USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 755 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 30 CYS SG : rot 50:sc= 0.425 USER MOD Set 1.2: A 33 CYS SG : rot -40:sc= -0.729 USER MOD Set 1.3: A 64 HIS :FLIP no HE2:sc= -0.318 F(o=-2.7,f=-1.7) USER MOD Set 1.4: A 67 CYS SG : rot -151:sc= -1.07 USER MOD Single : A 13 LYS NZ :NH3+ -165:sc=-0.00938 (180deg=-0.151) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.82 USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0578) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.27 K(o=-2.3,f=-5.1!) USER MOD Single : A 28 SER OG : rot -133:sc= 0.936 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -110:sc= 1.04 (180deg=-0.414) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.675 K(o=-0.67,f=-3.5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 141:sc= -1.18 (180deg=-2.89) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -170:sc= 0 (180deg=-0.0605) USER MOD Single : A 53 LYS NZ :NH3+ -165:sc=-0.00306 (180deg=-0.109) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 148:sc= -3.51 (180deg=-4.78!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= -1.29 (180deg=-1.9) USER MOD Single : A 71 ASN : amide:sc= -0.0475 K(o=-0.047,f=-0.56) USER MOD Single : A 81 TYR OH : rot 30:sc= -0.24 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.07 K(o=-1.1,f=-4.5!) USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0261) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -153:sc= 0.42 (180deg=-0.0613) USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= -2.16! (180deg=-2.48!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.0219 K(o=-0.022,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 131 N LYS A 13 17.499 13.692 -3.170 1.00 0.00 N ATOM 132 CA LYS A 13 16.998 13.363 -4.499 1.00 0.00 C ATOM 133 C LYS A 13 16.067 12.156 -4.446 1.00 0.00 C ATOM 134 O LYS A 13 16.169 11.243 -5.267 1.00 0.00 O ATOM 135 CB LYS A 13 18.162 13.082 -5.451 1.00 0.00 C ATOM 136 CG LYS A 13 18.693 14.323 -6.146 1.00 0.00 C ATOM 137 CD LYS A 13 20.139 14.146 -6.577 1.00 0.00 C ATOM 138 CE LYS A 13 21.094 14.302 -5.404 1.00 0.00 C ATOM 139 NZ LYS A 13 21.197 15.719 -4.957 1.00 0.00 N ATOM 0 HA LYS A 13 16.434 14.219 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.972 12.614 -4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 13 17.839 12.364 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 13 18.077 14.544 -7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 13 18.615 15.178 -5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 13 20.268 13.160 -7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 13 20.383 14.879 -7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 13 20.754 13.683 -4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 13 22.081 13.938 -5.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 22.028 15.829 -4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 21.296 16.338 -5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 20.339 15.980 -4.431 1.00 0.00 H new ATOM 153 N THR A 14 15.158 12.157 -3.476 1.00 0.00 N ATOM 154 CA THR A 14 14.209 11.062 -3.317 1.00 0.00 C ATOM 155 C THR A 14 12.939 11.532 -2.618 1.00 0.00 C ATOM 156 O THR A 14 12.997 12.167 -1.564 1.00 0.00 O ATOM 157 CB THR A 14 14.823 9.899 -2.515 1.00 0.00 C ATOM 158 OG1 THR A 14 16.070 9.505 -3.098 1.00 0.00 O ATOM 159 CG2 THR A 14 13.876 8.708 -2.478 1.00 0.00 C ATOM 0 H THR A 14 15.059 12.904 -2.789 1.00 0.00 H new ATOM 0 HA THR A 14 13.960 10.711 -4.319 1.00 0.00 H new ATOM 0 HB THR A 14 14.992 10.241 -1.494 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.454 8.766 -2.581 1.00 0.00 H new ATOM 0 HG21 THR A 14 14.331 7.899 -1.906 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.939 9.003 -2.006 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.679 8.368 -3.495 1.00 0.00 H new ATOM 167 N LEU A 15 11.792 11.218 -3.211 1.00 0.00 N ATOM 168 CA LEU A 15 10.506 11.608 -2.644 1.00 0.00 C ATOM 169 C LEU A 15 10.244 10.875 -1.332 1.00 0.00 C ATOM 170 O LEU A 15 10.453 9.666 -1.232 1.00 0.00 O ATOM 171 CB LEU A 15 9.379 11.318 -3.637 1.00 0.00 C ATOM 172 CG LEU A 15 9.345 12.196 -4.888 1.00 0.00 C ATOM 173 CD1 LEU A 15 8.470 11.565 -5.960 1.00 0.00 C ATOM 174 CD2 LEU A 15 8.848 13.593 -4.545 1.00 0.00 C ATOM 0 H LEU A 15 11.727 10.695 -4.084 1.00 0.00 H new ATOM 0 HA LEU A 15 10.537 12.678 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.457 10.277 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.427 11.424 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 15 10.359 12.278 -5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.458 12.204 -6.843 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.869 10.586 -6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.455 11.451 -5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.830 14.205 -5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.842 13.530 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.515 14.047 -3.812 1.00 0.00 H new ATOM 186 N GLY A 16 9.783 11.614 -0.328 1.00 0.00 N ATOM 187 CA GLY A 16 9.497 11.017 0.964 1.00 0.00 C ATOM 188 C GLY A 16 8.109 10.412 1.029 1.00 0.00 C ATOM 189 O GLY A 16 7.944 9.263 1.438 1.00 0.00 O ATOM 0 H GLY A 16 9.602 12.616 -0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.237 10.245 1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.596 11.775 1.741 1.00 0.00 H new ATOM 193 N ASP A 17 7.108 11.188 0.627 1.00 0.00 N ATOM 194 CA ASP A 17 5.726 10.723 0.642 1.00 0.00 C ATOM 195 C ASP A 17 5.616 9.330 0.030 1.00 0.00 C ATOM 196 O ASP A 17 4.909 8.466 0.550 1.00 0.00 O ATOM 197 CB ASP A 17 4.828 11.700 -0.118 1.00 0.00 C ATOM 198 CG ASP A 17 5.152 13.147 0.195 1.00 0.00 C ATOM 199 OD1 ASP A 17 5.355 13.465 1.386 1.00 0.00 O ATOM 200 OD2 ASP A 17 5.202 13.963 -0.749 1.00 0.00 O ATOM 0 H ASP A 17 7.228 12.142 0.287 1.00 0.00 H new ATOM 0 HA ASP A 17 5.397 10.672 1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.936 11.530 -1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.786 11.502 0.133 1.00 0.00 H new ATOM 205 N PHE A 18 6.317 9.118 -1.079 1.00 0.00 N ATOM 206 CA PHE A 18 6.296 7.831 -1.764 1.00 0.00 C ATOM 207 C PHE A 18 7.582 7.053 -1.498 1.00 0.00 C ATOM 208 O PHE A 18 8.651 7.638 -1.328 1.00 0.00 O ATOM 209 CB PHE A 18 6.111 8.033 -3.269 1.00 0.00 C ATOM 210 CG PHE A 18 4.910 8.865 -3.619 1.00 0.00 C ATOM 211 CD1 PHE A 18 3.673 8.273 -3.813 1.00 0.00 C ATOM 212 CD2 PHE A 18 5.020 10.240 -3.753 1.00 0.00 C ATOM 213 CE1 PHE A 18 2.566 9.036 -4.135 1.00 0.00 C ATOM 214 CE2 PHE A 18 3.917 11.008 -4.074 1.00 0.00 C ATOM 215 CZ PHE A 18 2.689 10.406 -4.266 1.00 0.00 C ATOM 0 H PHE A 18 6.907 9.822 -1.523 1.00 0.00 H new ATOM 0 HA PHE A 18 5.456 7.255 -1.376 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.003 8.508 -3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 18 6.021 7.059 -3.750 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.572 7.203 -3.712 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.978 10.716 -3.605 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.607 8.562 -4.284 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.015 12.079 -4.175 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.826 11.005 -4.518 1.00 0.00 H new ATOM 225 N ALA A 19 7.468 5.729 -1.463 1.00 0.00 N ATOM 226 CA ALA A 19 8.620 4.870 -1.220 1.00 0.00 C ATOM 227 C ALA A 19 8.348 3.442 -1.682 1.00 0.00 C ATOM 228 O ALA A 19 7.265 2.903 -1.455 1.00 0.00 O ATOM 229 CB ALA A 19 8.990 4.888 0.256 1.00 0.00 C ATOM 0 H ALA A 19 6.590 5.229 -1.600 1.00 0.00 H new ATOM 0 HA ALA A 19 9.459 5.257 -1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.852 4.242 0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.236 5.906 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.147 4.528 0.847 1.00 0.00 H new ATOM 235 N ALA A 20 9.336 2.836 -2.331 1.00 0.00 N ATOM 236 CA ALA A 20 9.203 1.471 -2.823 1.00 0.00 C ATOM 237 C ALA A 20 10.163 0.531 -2.102 1.00 0.00 C ATOM 238 O ALA A 20 11.347 0.831 -1.956 1.00 0.00 O ATOM 239 CB ALA A 20 9.446 1.426 -4.325 1.00 0.00 C ATOM 0 H ALA A 20 10.238 3.269 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 20 8.186 1.135 -2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.344 0.400 -4.680 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.717 2.059 -4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.452 1.786 -4.542 1.00 0.00 H new ATOM 245 N GLU A 21 9.643 -0.607 -1.652 1.00 0.00 N ATOM 246 CA GLU A 21 10.455 -1.589 -0.943 1.00 0.00 C ATOM 247 C GLU A 21 9.654 -2.859 -0.668 1.00 0.00 C ATOM 248 O GLU A 21 8.425 -2.859 -0.740 1.00 0.00 O ATOM 249 CB GLU A 21 10.972 -1.004 0.372 1.00 0.00 C ATOM 250 CG GLU A 21 9.867 -0.591 1.330 1.00 0.00 C ATOM 251 CD GLU A 21 10.391 0.175 2.530 1.00 0.00 C ATOM 252 OE1 GLU A 21 11.355 -0.304 3.163 1.00 0.00 O ATOM 253 OE2 GLU A 21 9.838 1.252 2.835 1.00 0.00 O ATOM 0 H GLU A 21 8.664 -0.871 -1.766 1.00 0.00 H new ATOM 0 HA GLU A 21 11.305 -1.845 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.610 -1.740 0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.595 -0.137 0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.142 0.025 0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.338 -1.480 1.674 1.00 0.00 H new ATOM 260 N TYR A 22 10.360 -3.939 -0.353 1.00 0.00 N ATOM 261 CA TYR A 22 9.717 -5.217 -0.069 1.00 0.00 C ATOM 262 C TYR A 22 8.792 -5.105 1.139 1.00 0.00 C ATOM 263 O TYR A 22 8.986 -4.253 2.006 1.00 0.00 O ATOM 264 CB TYR A 22 10.771 -6.298 0.180 1.00 0.00 C ATOM 265 CG TYR A 22 11.959 -6.211 -0.751 1.00 0.00 C ATOM 266 CD1 TYR A 22 11.816 -6.440 -2.114 1.00 0.00 C ATOM 267 CD2 TYR A 22 13.224 -5.900 -0.268 1.00 0.00 C ATOM 268 CE1 TYR A 22 12.899 -6.363 -2.969 1.00 0.00 C ATOM 269 CE2 TYR A 22 14.312 -5.819 -1.115 1.00 0.00 C ATOM 270 CZ TYR A 22 14.145 -6.052 -2.464 1.00 0.00 C ATOM 271 OH TYR A 22 15.226 -5.973 -3.312 1.00 0.00 O ATOM 0 H TYR A 22 11.378 -3.955 -0.288 1.00 0.00 H new ATOM 0 HA TYR A 22 9.119 -5.495 -0.937 1.00 0.00 H new ATOM 0 HB2 TYR A 22 11.121 -6.222 1.210 1.00 0.00 H new ATOM 0 HB3 TYR A 22 10.307 -7.278 0.072 1.00 0.00 H new ATOM 0 HD1 TYR A 22 10.842 -6.682 -2.512 1.00 0.00 H new ATOM 0 HD2 TYR A 22 13.359 -5.718 0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 22 12.771 -6.545 -4.026 1.00 0.00 H new ATOM 0 HE2 TYR A 22 15.288 -5.575 -0.723 1.00 0.00 H new ATOM 0 HH TYR A 22 16.029 -5.744 -2.798 1.00 0.00 H new ATOM 281 N ALA A 23 7.786 -5.972 1.188 1.00 0.00 N ATOM 282 CA ALA A 23 6.832 -5.974 2.289 1.00 0.00 C ATOM 283 C ALA A 23 7.504 -6.378 3.597 1.00 0.00 C ATOM 284 O ALA A 23 8.207 -7.387 3.660 1.00 0.00 O ATOM 285 CB ALA A 23 5.670 -6.906 1.980 1.00 0.00 C ATOM 0 H ALA A 23 7.611 -6.682 0.477 1.00 0.00 H new ATOM 0 HA ALA A 23 6.448 -4.960 2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.965 -6.897 2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.166 -6.571 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.045 -7.919 1.833 1.00 0.00 H new ATOM 291 N LYS A 24 7.283 -5.585 4.640 1.00 0.00 N ATOM 292 CA LYS A 24 7.866 -5.861 5.948 1.00 0.00 C ATOM 293 C LYS A 24 7.226 -7.092 6.581 1.00 0.00 C ATOM 294 O LYS A 24 7.922 -8.013 7.011 1.00 0.00 O ATOM 295 CB LYS A 24 7.693 -4.652 6.871 1.00 0.00 C ATOM 296 CG LYS A 24 8.278 -4.857 8.258 1.00 0.00 C ATOM 297 CD LYS A 24 7.811 -3.783 9.224 1.00 0.00 C ATOM 298 CE LYS A 24 8.547 -3.869 10.552 1.00 0.00 C ATOM 299 NZ LYS A 24 9.956 -3.399 10.437 1.00 0.00 N ATOM 0 H LYS A 24 6.704 -4.746 4.605 1.00 0.00 H new ATOM 0 HA LYS A 24 8.929 -6.057 5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.165 -3.784 6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.631 -4.425 6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.988 -5.838 8.635 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.366 -4.847 8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.971 -2.800 8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.739 -3.886 9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.024 -3.269 11.297 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.536 -4.899 10.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.372 -3.312 11.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.506 -4.083 9.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.976 -2.473 9.965 1.00 0.00 H new ATOM 313 N SER A 25 5.898 -7.103 6.633 1.00 0.00 N ATOM 314 CA SER A 25 5.165 -8.221 7.215 1.00 0.00 C ATOM 315 C SER A 25 3.935 -8.559 6.378 1.00 0.00 C ATOM 316 O SER A 25 3.438 -7.726 5.622 1.00 0.00 O ATOM 317 CB SER A 25 4.745 -7.892 8.649 1.00 0.00 C ATOM 318 OG SER A 25 4.662 -9.066 9.438 1.00 0.00 O ATOM 0 H SER A 25 5.308 -6.350 6.279 1.00 0.00 H new ATOM 0 HA SER A 25 5.825 -9.089 7.227 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.463 -7.202 9.092 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.780 -7.386 8.642 1.00 0.00 H new ATOM 0 HG SER A 25 4.394 -8.829 10.350 1.00 0.00 H new ATOM 324 N ASN A 26 3.451 -9.789 6.520 1.00 0.00 N ATOM 325 CA ASN A 26 2.279 -10.239 5.776 1.00 0.00 C ATOM 326 C ASN A 26 0.993 -9.800 6.470 1.00 0.00 C ATOM 327 O ASN A 26 0.076 -10.598 6.662 1.00 0.00 O ATOM 328 CB ASN A 26 2.298 -11.762 5.628 1.00 0.00 C ATOM 329 CG ASN A 26 1.226 -12.263 4.680 1.00 0.00 C ATOM 330 OD1 ASN A 26 0.215 -11.595 4.459 1.00 0.00 O ATOM 331 ND2 ASN A 26 1.442 -13.446 4.115 1.00 0.00 N ATOM 0 H ASN A 26 3.851 -10.491 7.142 1.00 0.00 H new ATOM 0 HA ASN A 26 2.310 -9.784 4.786 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.276 -12.077 5.265 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.158 -12.221 6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.756 -13.835 3.469 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.294 -13.965 4.327 1.00 0.00 H new ATOM 338 N ARG A 27 0.934 -8.525 6.842 1.00 0.00 N ATOM 339 CA ARG A 27 -0.239 -7.980 7.515 1.00 0.00 C ATOM 340 C ARG A 27 -0.932 -6.938 6.641 1.00 0.00 C ATOM 341 O ARG A 27 -2.136 -7.019 6.398 1.00 0.00 O ATOM 342 CB ARG A 27 0.158 -7.356 8.854 1.00 0.00 C ATOM 343 CG ARG A 27 0.505 -8.378 9.924 1.00 0.00 C ATOM 344 CD ARG A 27 -0.721 -8.777 10.730 1.00 0.00 C ATOM 345 NE ARG A 27 -1.555 -9.741 10.017 1.00 0.00 N ATOM 346 CZ ARG A 27 -2.723 -10.181 10.473 1.00 0.00 C ATOM 347 NH1 ARG A 27 -3.192 -9.746 11.634 1.00 0.00 N ATOM 348 NH2 ARG A 27 -3.424 -11.058 9.766 1.00 0.00 N ATOM 0 H ARG A 27 1.684 -7.851 6.689 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.936 -8.799 7.696 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.014 -6.700 8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.661 -6.732 9.212 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.939 -9.262 9.457 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.262 -7.966 10.591 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.406 -9.205 11.682 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.309 -7.888 10.959 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.223 -10.096 9.120 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.656 -9.072 12.180 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.089 -10.086 11.981 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.066 -11.395 8.872 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.320 -11.395 10.116 1.00 0.00 H new ATOM 362 N SER A 28 -0.163 -5.961 6.173 1.00 0.00 N ATOM 363 CA SER A 28 -0.703 -4.900 5.330 1.00 0.00 C ATOM 364 C SER A 28 -1.743 -5.454 4.361 1.00 0.00 C ATOM 365 O SER A 28 -1.755 -6.647 4.058 1.00 0.00 O ATOM 366 CB SER A 28 0.423 -4.216 4.552 1.00 0.00 C ATOM 367 OG SER A 28 1.117 -3.289 5.369 1.00 0.00 O ATOM 0 H SER A 28 0.836 -5.882 6.363 1.00 0.00 H new ATOM 0 HA SER A 28 -1.187 -4.166 5.975 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.118 -4.967 4.177 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.010 -3.702 3.684 1.00 0.00 H new ATOM 0 HG SER A 28 1.225 -2.443 4.885 1.00 0.00 H new ATOM 373 N THR A 29 -2.617 -4.577 3.876 1.00 0.00 N ATOM 374 CA THR A 29 -3.662 -4.976 2.942 1.00 0.00 C ATOM 375 C THR A 29 -3.864 -3.922 1.859 1.00 0.00 C ATOM 376 O THR A 29 -4.031 -2.738 2.154 1.00 0.00 O ATOM 377 CB THR A 29 -5.001 -5.214 3.666 1.00 0.00 C ATOM 378 OG1 THR A 29 -4.861 -6.272 4.621 1.00 0.00 O ATOM 379 CG2 THR A 29 -6.099 -5.563 2.673 1.00 0.00 C ATOM 0 H THR A 29 -2.621 -3.585 4.115 1.00 0.00 H new ATOM 0 HA THR A 29 -3.335 -5.908 2.481 1.00 0.00 H new ATOM 0 HB THR A 29 -5.278 -4.294 4.181 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.716 -6.416 5.078 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.035 -5.727 3.208 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.224 -4.743 1.966 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.826 -6.470 2.133 1.00 0.00 H new ATOM 387 N CYS A 30 -3.847 -4.359 0.605 1.00 0.00 N ATOM 388 CA CYS A 30 -4.028 -3.454 -0.523 1.00 0.00 C ATOM 389 C CYS A 30 -5.461 -2.931 -0.577 1.00 0.00 C ATOM 390 O CYS A 30 -6.408 -3.700 -0.745 1.00 0.00 O ATOM 391 CB CYS A 30 -3.683 -4.163 -1.834 1.00 0.00 C ATOM 392 SG CYS A 30 -3.663 -3.068 -3.290 1.00 0.00 S ATOM 0 H CYS A 30 -3.710 -5.335 0.344 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.355 -2.607 -0.388 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.705 -4.634 -1.733 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.405 -4.962 -2.003 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.940 -2.019 -3.034 1.00 0.00 H new ATOM 397 N LYS A 31 -5.612 -1.619 -0.434 1.00 0.00 N ATOM 398 CA LYS A 31 -6.927 -0.992 -0.467 1.00 0.00 C ATOM 399 C LYS A 31 -7.434 -0.867 -1.900 1.00 0.00 C ATOM 400 O LYS A 31 -8.630 -0.692 -2.133 1.00 0.00 O ATOM 401 CB LYS A 31 -6.873 0.391 0.188 1.00 0.00 C ATOM 402 CG LYS A 31 -6.702 0.343 1.696 1.00 0.00 C ATOM 403 CD LYS A 31 -8.043 0.306 2.409 1.00 0.00 C ATOM 404 CE LYS A 31 -7.954 -0.447 3.727 1.00 0.00 C ATOM 405 NZ LYS A 31 -9.274 -0.995 4.143 1.00 0.00 N ATOM 0 H LYS A 31 -4.839 -0.969 -0.294 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.617 -1.625 0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.048 0.957 -0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.789 0.932 -0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.120 -0.537 1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.137 1.215 2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.386 1.324 2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.784 -0.169 1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.236 -1.262 3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.577 0.221 4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.171 -1.501 5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.953 -0.215 4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.622 -1.652 3.416 1.00 0.00 H new ATOM 419 N GLY A 32 -6.517 -0.960 -2.858 1.00 0.00 N ATOM 420 CA GLY A 32 -6.891 -0.857 -4.257 1.00 0.00 C ATOM 421 C GLY A 32 -7.776 -2.003 -4.706 1.00 0.00 C ATOM 422 O GLY A 32 -8.850 -1.785 -5.268 1.00 0.00 O ATOM 0 H GLY A 32 -5.521 -1.105 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.411 0.086 -4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.990 -0.836 -4.870 1.00 0.00 H new ATOM 426 N CYS A 33 -7.323 -3.228 -4.461 1.00 0.00 N ATOM 427 CA CYS A 33 -8.079 -4.414 -4.846 1.00 0.00 C ATOM 428 C CYS A 33 -8.506 -5.210 -3.616 1.00 0.00 C ATOM 429 O CYS A 33 -8.815 -6.397 -3.710 1.00 0.00 O ATOM 430 CB CYS A 33 -7.244 -5.298 -5.774 1.00 0.00 C ATOM 431 SG CYS A 33 -5.562 -5.638 -5.162 1.00 0.00 S ATOM 0 H CYS A 33 -6.436 -3.425 -3.998 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.974 -4.087 -5.375 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.764 -6.245 -5.921 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -7.174 -4.818 -6.750 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.073 -4.564 -4.617 1.00 0.00 H new ATOM 436 N MET A 34 -8.521 -4.546 -2.465 1.00 0.00 N ATOM 437 CA MET A 34 -8.912 -5.191 -1.217 1.00 0.00 C ATOM 438 C MET A 34 -8.178 -6.516 -1.037 1.00 0.00 C ATOM 439 O MET A 34 -8.750 -7.492 -0.552 1.00 0.00 O ATOM 440 CB MET A 34 -10.423 -5.424 -1.190 1.00 0.00 C ATOM 441 CG MET A 34 -11.234 -4.143 -1.082 1.00 0.00 C ATOM 442 SD MET A 34 -12.983 -4.452 -0.771 1.00 0.00 S ATOM 443 CE MET A 34 -13.581 -4.722 -2.438 1.00 0.00 C ATOM 0 H MET A 34 -8.267 -3.563 -2.371 1.00 0.00 H new ATOM 0 HA MET A 34 -8.639 -4.530 -0.394 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.717 -5.955 -2.096 1.00 0.00 H new ATOM 0 HB3 MET A 34 -10.668 -6.071 -0.348 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.829 -3.528 -0.278 1.00 0.00 H new ATOM 0 HG3 MET A 34 -11.128 -3.572 -2.004 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.651 -4.926 -2.412 1.00 0.00 H new ATOM 0 HE2 MET A 34 -13.396 -3.832 -3.040 1.00 0.00 H new ATOM 0 HE3 MET A 34 -13.060 -5.572 -2.878 1.00 0.00 H new ATOM 453 N GLU A 35 -6.908 -6.543 -1.431 1.00 0.00 N ATOM 454 CA GLU A 35 -6.098 -7.750 -1.313 1.00 0.00 C ATOM 455 C GLU A 35 -5.156 -7.658 -0.116 1.00 0.00 C ATOM 456 O GLU A 35 -5.054 -6.615 0.531 1.00 0.00 O ATOM 457 CB GLU A 35 -5.292 -7.977 -2.594 1.00 0.00 C ATOM 458 CG GLU A 35 -6.017 -8.822 -3.627 1.00 0.00 C ATOM 459 CD GLU A 35 -5.840 -10.310 -3.392 1.00 0.00 C ATOM 460 OE1 GLU A 35 -4.716 -10.724 -3.035 1.00 0.00 O ATOM 461 OE2 GLU A 35 -6.823 -11.060 -3.564 1.00 0.00 O ATOM 0 H GLU A 35 -6.419 -5.744 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.770 -8.595 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.046 -7.011 -3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.349 -8.460 -2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.079 -8.579 -3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.649 -8.569 -4.621 1.00 0.00 H new ATOM 468 N LYS A 36 -4.468 -8.757 0.174 1.00 0.00 N ATOM 469 CA LYS A 36 -3.534 -8.803 1.292 1.00 0.00 C ATOM 470 C LYS A 36 -2.091 -8.790 0.796 1.00 0.00 C ATOM 471 O LYS A 36 -1.712 -9.590 -0.060 1.00 0.00 O ATOM 472 CB LYS A 36 -3.781 -10.053 2.140 1.00 0.00 C ATOM 473 CG LYS A 36 -3.495 -11.352 1.407 1.00 0.00 C ATOM 474 CD LYS A 36 -2.078 -11.836 1.663 1.00 0.00 C ATOM 475 CE LYS A 36 -1.662 -12.900 0.659 1.00 0.00 C ATOM 476 NZ LYS A 36 -1.532 -12.344 -0.716 1.00 0.00 N ATOM 0 H LYS A 36 -4.540 -9.629 -0.351 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.698 -7.917 1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.158 -10.005 3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.818 -10.055 2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.205 -12.115 1.727 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.643 -11.207 0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.389 -10.993 1.608 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.007 -12.240 2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.712 -13.337 0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.397 -13.705 0.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.301 -12.711 -1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.589 -11.306 -0.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.616 -12.626 -1.119 1.00 0.00 H new ATOM 490 N ILE A 37 -1.292 -7.878 1.340 1.00 0.00 N ATOM 491 CA ILE A 37 0.109 -7.764 0.954 1.00 0.00 C ATOM 492 C ILE A 37 0.976 -8.748 1.733 1.00 0.00 C ATOM 493 O ILE A 37 1.030 -8.704 2.962 1.00 0.00 O ATOM 494 CB ILE A 37 0.641 -6.337 1.182 1.00 0.00 C ATOM 495 CG1 ILE A 37 -0.141 -5.336 0.329 1.00 0.00 C ATOM 496 CG2 ILE A 37 2.127 -6.268 0.861 1.00 0.00 C ATOM 497 CD1 ILE A 37 0.030 -3.900 0.773 1.00 0.00 C ATOM 0 H ILE A 37 -1.591 -7.208 2.049 1.00 0.00 H new ATOM 0 HA ILE A 37 0.163 -7.998 -0.109 1.00 0.00 H new ATOM 0 HB ILE A 37 0.504 -6.077 2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.179 -5.427 -0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.200 -5.594 0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.488 -5.253 1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.671 -6.957 1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.287 -6.544 -0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.552 -3.247 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.317 -3.793 1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.083 -3.624 0.715 1.00 0.00 H new ATOM 509 N GLU A 38 1.654 -9.632 1.009 1.00 0.00 N ATOM 510 CA GLU A 38 2.520 -10.626 1.633 1.00 0.00 C ATOM 511 C GLU A 38 3.935 -10.082 1.807 1.00 0.00 C ATOM 512 O GLU A 38 4.379 -9.221 1.049 1.00 0.00 O ATOM 513 CB GLU A 38 2.553 -11.905 0.794 1.00 0.00 C ATOM 514 CG GLU A 38 3.048 -11.689 -0.626 1.00 0.00 C ATOM 515 CD GLU A 38 3.161 -12.983 -1.408 1.00 0.00 C ATOM 516 OE1 GLU A 38 2.115 -13.498 -1.857 1.00 0.00 O ATOM 517 OE2 GLU A 38 4.294 -13.481 -1.571 1.00 0.00 O ATOM 0 H GLU A 38 1.621 -9.681 -0.009 1.00 0.00 H new ATOM 0 HA GLU A 38 2.114 -10.857 2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.195 -12.636 1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.551 -12.333 0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.368 -11.014 -1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.022 -11.200 -0.597 1.00 0.00 H new ATOM 524 N LYS A 39 4.639 -10.592 2.812 1.00 0.00 N ATOM 525 CA LYS A 39 6.004 -10.160 3.088 1.00 0.00 C ATOM 526 C LYS A 39 6.947 -10.592 1.970 1.00 0.00 C ATOM 527 O LYS A 39 6.905 -11.734 1.515 1.00 0.00 O ATOM 528 CB LYS A 39 6.482 -10.734 4.423 1.00 0.00 C ATOM 529 CG LYS A 39 7.892 -10.311 4.797 1.00 0.00 C ATOM 530 CD LYS A 39 8.526 -11.284 5.777 1.00 0.00 C ATOM 531 CE LYS A 39 9.898 -10.807 6.227 1.00 0.00 C ATOM 532 NZ LYS A 39 10.611 -11.844 7.024 1.00 0.00 N ATOM 0 H LYS A 39 4.286 -11.306 3.450 1.00 0.00 H new ATOM 0 HA LYS A 39 6.010 -9.071 3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.797 -10.420 5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.438 -11.822 4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.504 -10.249 3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.869 -9.314 5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.878 -11.402 6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.616 -12.265 5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.496 -10.545 5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.790 -9.901 6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.542 -11.481 7.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.053 -12.076 7.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.737 -12.700 6.447 1.00 0.00 H new ATOM 546 N GLY A 40 7.799 -9.670 1.531 1.00 0.00 N ATOM 547 CA GLY A 40 8.742 -9.975 0.471 1.00 0.00 C ATOM 548 C GLY A 40 8.327 -9.383 -0.861 1.00 0.00 C ATOM 549 O GLY A 40 9.165 -8.884 -1.613 1.00 0.00 O ATOM 0 H GLY A 40 7.853 -8.717 1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.726 -9.594 0.744 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.835 -11.056 0.371 1.00 0.00 H new ATOM 553 N GLN A 41 7.032 -9.440 -1.155 1.00 0.00 N ATOM 554 CA GLN A 41 6.510 -8.906 -2.408 1.00 0.00 C ATOM 555 C GLN A 41 6.629 -7.386 -2.445 1.00 0.00 C ATOM 556 O GLN A 41 6.115 -6.692 -1.568 1.00 0.00 O ATOM 557 CB GLN A 41 5.049 -9.319 -2.592 1.00 0.00 C ATOM 558 CG GLN A 41 4.862 -10.810 -2.824 1.00 0.00 C ATOM 559 CD GLN A 41 5.411 -11.266 -4.161 1.00 0.00 C ATOM 560 OE1 GLN A 41 6.041 -10.493 -4.883 1.00 0.00 O ATOM 561 NE2 GLN A 41 5.173 -12.528 -4.500 1.00 0.00 N ATOM 0 H GLN A 41 6.326 -9.850 -0.544 1.00 0.00 H new ATOM 0 HA GLN A 41 7.103 -9.318 -3.224 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.483 -9.023 -1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.630 -8.773 -3.437 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.356 -11.363 -2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.801 -11.052 -2.770 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.646 -13.134 -3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.517 -12.891 -5.389 1.00 0.00 H new ATOM 570 N VAL A 42 7.312 -6.876 -3.465 1.00 0.00 N ATOM 571 CA VAL A 42 7.498 -5.438 -3.616 1.00 0.00 C ATOM 572 C VAL A 42 6.195 -4.685 -3.369 1.00 0.00 C ATOM 573 O VAL A 42 5.126 -5.116 -3.802 1.00 0.00 O ATOM 574 CB VAL A 42 8.023 -5.085 -5.020 1.00 0.00 C ATOM 575 CG1 VAL A 42 8.150 -3.577 -5.180 1.00 0.00 C ATOM 576 CG2 VAL A 42 9.357 -5.770 -5.278 1.00 0.00 C ATOM 0 H VAL A 42 7.745 -7.437 -4.198 1.00 0.00 H new ATOM 0 HA VAL A 42 8.235 -5.135 -2.873 1.00 0.00 H new ATOM 0 HB VAL A 42 7.306 -5.446 -5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.522 -3.347 -6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.174 -3.113 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.845 -3.189 -4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.713 -5.509 -6.275 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.084 -5.442 -4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.231 -6.850 -5.209 1.00 0.00 H new ATOM 586 N ARG A 43 6.293 -3.559 -2.670 1.00 0.00 N ATOM 587 CA ARG A 43 5.121 -2.746 -2.364 1.00 0.00 C ATOM 588 C ARG A 43 5.501 -1.275 -2.227 1.00 0.00 C ATOM 589 O ARG A 43 6.636 -0.945 -1.879 1.00 0.00 O ATOM 590 CB ARG A 43 4.458 -3.235 -1.076 1.00 0.00 C ATOM 591 CG ARG A 43 5.320 -3.048 0.162 1.00 0.00 C ATOM 592 CD ARG A 43 4.560 -3.408 1.430 1.00 0.00 C ATOM 593 NE ARG A 43 5.135 -2.770 2.611 1.00 0.00 N ATOM 594 CZ ARG A 43 4.829 -3.119 3.856 1.00 0.00 C ATOM 595 NH1 ARG A 43 3.959 -4.094 4.080 1.00 0.00 N ATOM 596 NH2 ARG A 43 5.394 -2.492 4.880 1.00 0.00 N ATOM 0 H ARG A 43 7.171 -3.189 -2.305 1.00 0.00 H new ATOM 0 HA ARG A 43 4.415 -2.845 -3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.517 -2.703 -0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.214 -4.292 -1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.212 -3.669 0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.656 -2.013 0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.518 -3.107 1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.567 -4.490 1.562 1.00 0.00 H new ATOM 0 HE ARG A 43 5.808 -2.016 2.473 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.523 -4.578 3.296 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.726 -4.360 5.037 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.064 -1.741 4.712 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.158 -2.761 5.835 1.00 0.00 H new ATOM 610 N LEU A 44 4.546 -0.394 -2.504 1.00 0.00 N ATOM 611 CA LEU A 44 4.780 1.043 -2.412 1.00 0.00 C ATOM 612 C LEU A 44 3.890 1.672 -1.345 1.00 0.00 C ATOM 613 O LEU A 44 2.828 1.143 -1.017 1.00 0.00 O ATOM 614 CB LEU A 44 4.523 1.709 -3.764 1.00 0.00 C ATOM 615 CG LEU A 44 5.338 1.173 -4.942 1.00 0.00 C ATOM 616 CD1 LEU A 44 4.587 0.052 -5.645 1.00 0.00 C ATOM 617 CD2 LEU A 44 5.665 2.293 -5.919 1.00 0.00 C ATOM 0 H LEU A 44 3.602 -0.650 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 44 5.821 1.199 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.465 1.604 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.723 2.776 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 44 6.274 0.770 -4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.182 -0.317 -6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.405 -0.761 -4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.635 0.430 -6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.245 1.893 -6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.740 2.727 -6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.245 3.063 -5.409 1.00 0.00 H new ATOM 629 N SER A 45 4.329 2.806 -0.809 1.00 0.00 N ATOM 630 CA SER A 45 3.573 3.508 0.222 1.00 0.00 C ATOM 631 C SER A 45 3.203 4.915 -0.238 1.00 0.00 C ATOM 632 O SER A 45 4.025 5.629 -0.813 1.00 0.00 O ATOM 633 CB SER A 45 4.382 3.579 1.519 1.00 0.00 C ATOM 634 OG SER A 45 5.533 4.390 1.358 1.00 0.00 O ATOM 0 H SER A 45 5.205 3.259 -1.072 1.00 0.00 H new ATOM 0 HA SER A 45 2.654 2.951 0.406 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.759 3.981 2.318 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.680 2.575 1.821 1.00 0.00 H new ATOM 0 HG SER A 45 6.032 4.421 2.201 1.00 0.00 H new ATOM 640 N LYS A 46 1.960 5.307 0.020 1.00 0.00 N ATOM 641 CA LYS A 46 1.479 6.629 -0.365 1.00 0.00 C ATOM 642 C LYS A 46 0.956 7.392 0.847 1.00 0.00 C ATOM 643 O LYS A 46 -0.077 7.038 1.418 1.00 0.00 O ATOM 644 CB LYS A 46 0.377 6.505 -1.419 1.00 0.00 C ATOM 645 CG LYS A 46 -0.172 7.843 -1.885 1.00 0.00 C ATOM 646 CD LYS A 46 -0.655 7.777 -3.324 1.00 0.00 C ATOM 647 CE LYS A 46 -0.924 9.165 -3.886 1.00 0.00 C ATOM 648 NZ LYS A 46 -0.699 9.220 -5.357 1.00 0.00 N ATOM 0 H LYS A 46 1.267 4.728 0.494 1.00 0.00 H new ATOM 0 HA LYS A 46 2.316 7.185 -0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.768 5.963 -2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.439 5.909 -1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.995 8.145 -1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.601 8.606 -1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.093 7.274 -3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.565 7.179 -3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.951 9.454 -3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.276 9.889 -3.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.428 9.817 -5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.241 9.622 -5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.753 8.260 -5.753 1.00 0.00 H new ATOM 662 N LYS A 47 1.672 8.441 1.235 1.00 0.00 N ATOM 663 CA LYS A 47 1.279 9.257 2.378 1.00 0.00 C ATOM 664 C LYS A 47 0.154 10.215 2.001 1.00 0.00 C ATOM 665 O LYS A 47 0.336 11.103 1.169 1.00 0.00 O ATOM 666 CB LYS A 47 2.480 10.045 2.906 1.00 0.00 C ATOM 667 CG LYS A 47 2.418 10.321 4.398 1.00 0.00 C ATOM 668 CD LYS A 47 3.687 10.992 4.894 1.00 0.00 C ATOM 669 CE LYS A 47 3.723 11.064 6.413 1.00 0.00 C ATOM 670 NZ LYS A 47 4.883 11.859 6.904 1.00 0.00 N ATOM 0 H LYS A 47 2.529 8.747 0.774 1.00 0.00 H new ATOM 0 HA LYS A 47 0.918 8.591 3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.393 9.491 2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.545 10.993 2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.560 10.957 4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.266 9.385 4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.556 10.441 4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.754 11.998 4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.797 11.509 6.777 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.774 10.055 6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.872 11.884 7.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.768 11.420 6.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.821 12.829 6.534 1.00 0.00 H new ATOM 684 N MET A 48 -1.008 10.030 2.619 1.00 0.00 N ATOM 685 CA MET A 48 -2.161 10.881 2.350 1.00 0.00 C ATOM 686 C MET A 48 -3.201 10.754 3.458 1.00 0.00 C ATOM 687 O MET A 48 -3.192 9.791 4.224 1.00 0.00 O ATOM 688 CB MET A 48 -2.786 10.517 1.002 1.00 0.00 C ATOM 689 CG MET A 48 -3.248 9.071 0.918 1.00 0.00 C ATOM 690 SD MET A 48 -4.423 8.793 -0.422 1.00 0.00 S ATOM 691 CE MET A 48 -5.923 9.450 0.303 1.00 0.00 C ATOM 0 H MET A 48 -1.176 9.298 3.309 1.00 0.00 H new ATOM 0 HA MET A 48 -1.818 11.915 2.316 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.636 11.173 0.816 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.060 10.704 0.211 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.382 8.425 0.776 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.708 8.785 1.864 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.775 9.192 -0.327 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.064 9.024 1.296 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.845 10.534 0.381 1.00 0.00 H new ATOM 701 N VAL A 49 -4.097 11.733 3.537 1.00 0.00 N ATOM 702 CA VAL A 49 -5.145 11.730 4.551 1.00 0.00 C ATOM 703 C VAL A 49 -6.448 11.170 3.993 1.00 0.00 C ATOM 704 O VAL A 49 -6.891 11.559 2.912 1.00 0.00 O ATOM 705 CB VAL A 49 -5.400 13.147 5.099 1.00 0.00 C ATOM 706 CG1 VAL A 49 -6.539 13.132 6.108 1.00 0.00 C ATOM 707 CG2 VAL A 49 -4.133 13.714 5.720 1.00 0.00 C ATOM 0 H VAL A 49 -4.118 12.538 2.911 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.798 11.092 5.363 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.690 13.792 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.705 14.141 6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.447 12.771 5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.282 12.473 6.937 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.332 14.715 6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.810 13.071 6.539 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.348 13.763 4.965 1.00 0.00 H new ATOM 717 N ASP A 50 -7.059 10.254 4.738 1.00 0.00 N ATOM 718 CA ASP A 50 -8.313 9.641 4.318 1.00 0.00 C ATOM 719 C ASP A 50 -9.492 10.567 4.600 1.00 0.00 C ATOM 720 O ASP A 50 -9.623 11.132 5.686 1.00 0.00 O ATOM 721 CB ASP A 50 -8.516 8.304 5.034 1.00 0.00 C ATOM 722 CG ASP A 50 -9.393 7.352 4.244 1.00 0.00 C ATOM 723 OD1 ASP A 50 -10.616 7.595 4.171 1.00 0.00 O ATOM 724 OD2 ASP A 50 -8.857 6.364 3.700 1.00 0.00 O ATOM 0 H ASP A 50 -6.706 9.920 5.635 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.261 9.465 3.243 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -7.546 7.839 5.210 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.966 8.483 6.011 1.00 0.00 H new ATOM 729 N PRO A 51 -10.371 10.728 3.600 1.00 0.00 N ATOM 730 CA PRO A 51 -11.554 11.586 3.716 1.00 0.00 C ATOM 731 C PRO A 51 -12.596 11.010 4.670 1.00 0.00 C ATOM 732 O PRO A 51 -13.402 11.745 5.239 1.00 0.00 O ATOM 733 CB PRO A 51 -12.103 11.629 2.288 1.00 0.00 C ATOM 734 CG PRO A 51 -11.618 10.369 1.658 1.00 0.00 C ATOM 735 CD PRO A 51 -10.278 10.085 2.279 1.00 0.00 C ATOM 0 HA PRO A 51 -11.308 12.567 4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.192 11.680 2.284 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.741 12.505 1.751 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.314 9.549 1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.531 10.481 0.577 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.094 9.014 2.365 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.464 10.501 1.686 1.00 0.00 H new ATOM 743 N GLU A 52 -12.572 9.692 4.839 1.00 0.00 N ATOM 744 CA GLU A 52 -13.516 9.019 5.725 1.00 0.00 C ATOM 745 C GLU A 52 -13.139 9.235 7.187 1.00 0.00 C ATOM 746 O GLU A 52 -13.970 9.635 8.003 1.00 0.00 O ATOM 747 CB GLU A 52 -13.561 7.521 5.414 1.00 0.00 C ATOM 748 CG GLU A 52 -14.129 7.201 4.041 1.00 0.00 C ATOM 749 CD GLU A 52 -14.239 5.710 3.789 1.00 0.00 C ATOM 750 OE1 GLU A 52 -15.219 5.098 4.262 1.00 0.00 O ATOM 751 OE2 GLU A 52 -13.343 5.155 3.117 1.00 0.00 O ATOM 0 H GLU A 52 -11.911 9.069 4.375 1.00 0.00 H new ATOM 0 HA GLU A 52 -14.504 9.448 5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -12.553 7.113 5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.162 7.019 6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.115 7.656 3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.495 7.649 3.276 1.00 0.00 H new ATOM 758 N LYS A 53 -11.878 8.967 7.513 1.00 0.00 N ATOM 759 CA LYS A 53 -11.388 9.132 8.876 1.00 0.00 C ATOM 760 C LYS A 53 -10.342 10.240 8.948 1.00 0.00 C ATOM 761 O LYS A 53 -9.143 9.987 9.065 1.00 0.00 O ATOM 762 CB LYS A 53 -10.792 7.819 9.388 1.00 0.00 C ATOM 763 CG LYS A 53 -11.836 6.812 9.839 1.00 0.00 C ATOM 764 CD LYS A 53 -11.213 5.687 10.649 1.00 0.00 C ATOM 765 CE LYS A 53 -10.650 4.598 9.749 1.00 0.00 C ATOM 766 NZ LYS A 53 -11.728 3.773 9.136 1.00 0.00 N ATOM 0 H LYS A 53 -11.177 8.634 6.851 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.231 9.412 9.507 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.186 7.373 8.599 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.123 8.034 10.221 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.594 7.316 10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.343 6.397 8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.418 6.087 11.278 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.962 5.259 11.315 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.048 5.052 8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.986 3.956 10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.318 2.902 8.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.432 3.528 9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.188 4.312 8.375 1.00 0.00 H new ATOM 780 N PRO A 54 -10.804 11.497 8.878 1.00 0.00 N ATOM 781 CA PRO A 54 -9.924 12.668 8.936 1.00 0.00 C ATOM 782 C PRO A 54 -9.312 12.866 10.318 1.00 0.00 C ATOM 783 O PRO A 54 -8.339 13.603 10.475 1.00 0.00 O ATOM 784 CB PRO A 54 -10.859 13.831 8.594 1.00 0.00 C ATOM 785 CG PRO A 54 -12.215 13.355 8.987 1.00 0.00 C ATOM 786 CD PRO A 54 -12.221 11.872 8.739 1.00 0.00 C ATOM 0 HA PRO A 54 -9.074 12.573 8.260 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.583 14.734 9.139 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.817 14.074 7.532 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.418 13.576 10.035 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.988 13.852 8.401 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.848 11.347 9.459 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.605 11.632 7.747 1.00 0.00 H new ATOM 794 N GLN A 55 -9.887 12.202 11.316 1.00 0.00 N ATOM 795 CA GLN A 55 -9.396 12.306 12.685 1.00 0.00 C ATOM 796 C GLN A 55 -7.953 11.822 12.784 1.00 0.00 C ATOM 797 O GLN A 55 -7.135 12.416 13.487 1.00 0.00 O ATOM 798 CB GLN A 55 -10.285 11.496 13.630 1.00 0.00 C ATOM 799 CG GLN A 55 -10.368 10.021 13.273 1.00 0.00 C ATOM 800 CD GLN A 55 -11.129 9.212 14.305 1.00 0.00 C ATOM 801 OE1 GLN A 55 -12.222 8.713 14.036 1.00 0.00 O ATOM 802 NE2 GLN A 55 -10.554 9.079 15.495 1.00 0.00 N ATOM 0 H GLN A 55 -10.693 11.587 11.202 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.428 13.355 12.978 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.904 11.594 14.647 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.289 11.920 13.623 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.853 9.913 12.303 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.360 9.618 13.172 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.647 9.510 15.674 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.020 8.546 16.230 1.00 0.00 H new ATOM 811 N LEU A 56 -7.648 10.739 12.078 1.00 0.00 N ATOM 812 CA LEU A 56 -6.303 10.173 12.086 1.00 0.00 C ATOM 813 C LEU A 56 -5.306 11.131 11.443 1.00 0.00 C ATOM 814 O LEU A 56 -4.198 11.319 11.945 1.00 0.00 O ATOM 815 CB LEU A 56 -6.288 8.833 11.350 1.00 0.00 C ATOM 816 CG LEU A 56 -7.234 7.759 11.890 1.00 0.00 C ATOM 817 CD1 LEU A 56 -7.437 6.660 10.860 1.00 0.00 C ATOM 818 CD2 LEU A 56 -6.697 7.181 13.191 1.00 0.00 C ATOM 0 H LEU A 56 -8.314 10.235 11.492 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.008 10.014 13.123 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.535 9.013 10.304 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.272 8.439 11.375 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.200 8.221 12.093 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.113 5.905 11.262 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.867 7.086 9.953 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.477 6.200 10.625 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.383 6.419 13.561 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.719 6.734 13.014 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.605 7.976 13.931 1.00 0.00 H new ATOM 830 N GLY A 57 -5.708 11.737 10.329 1.00 0.00 N ATOM 831 CA GLY A 57 -4.838 12.669 9.637 1.00 0.00 C ATOM 832 C GLY A 57 -3.852 11.972 8.721 1.00 0.00 C ATOM 833 O GLY A 57 -4.224 11.075 7.966 1.00 0.00 O ATOM 0 H GLY A 57 -6.620 11.599 9.894 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.444 13.362 9.053 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.291 13.263 10.369 1.00 0.00 H new ATOM 837 N MET A 58 -2.591 12.387 8.787 1.00 0.00 N ATOM 838 CA MET A 58 -1.548 11.796 7.956 1.00 0.00 C ATOM 839 C MET A 58 -1.342 10.326 8.307 1.00 0.00 C ATOM 840 O MET A 58 -1.092 9.984 9.464 1.00 0.00 O ATOM 841 CB MET A 58 -0.235 12.563 8.126 1.00 0.00 C ATOM 842 CG MET A 58 -0.094 13.743 7.178 1.00 0.00 C ATOM 843 SD MET A 58 0.706 13.295 5.626 1.00 0.00 S ATOM 844 CE MET A 58 -0.651 12.514 4.757 1.00 0.00 C ATOM 0 H MET A 58 -2.267 13.130 9.407 1.00 0.00 H new ATOM 0 HA MET A 58 -1.866 11.861 6.915 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.163 12.922 9.153 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.599 11.879 7.968 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.081 14.155 6.968 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.482 14.529 7.666 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.546 12.690 3.686 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.639 11.442 4.952 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.595 12.935 5.103 1.00 0.00 H new ATOM 854 N ILE A 59 -1.446 9.462 7.304 1.00 0.00 N ATOM 855 CA ILE A 59 -1.270 8.029 7.508 1.00 0.00 C ATOM 856 C ILE A 59 -0.362 7.429 6.439 1.00 0.00 C ATOM 857 O ILE A 59 -0.043 8.081 5.444 1.00 0.00 O ATOM 858 CB ILE A 59 -2.620 7.288 7.494 1.00 0.00 C ATOM 859 CG1 ILE A 59 -3.334 7.509 6.159 1.00 0.00 C ATOM 860 CG2 ILE A 59 -3.491 7.754 8.651 1.00 0.00 C ATOM 861 CD1 ILE A 59 -4.395 6.472 5.862 1.00 0.00 C ATOM 0 H ILE A 59 -1.651 9.729 6.341 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.807 7.904 8.487 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.434 6.221 7.612 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.794 8.497 6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.597 7.503 5.356 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.442 7.222 8.628 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.983 7.550 9.594 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.673 8.825 8.561 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.859 6.691 4.901 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.938 5.483 5.827 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.154 6.493 6.644 1.00 0.00 H new ATOM 873 N ASP A 60 0.049 6.184 6.651 1.00 0.00 N ATOM 874 CA ASP A 60 0.918 5.494 5.705 1.00 0.00 C ATOM 875 C ASP A 60 0.317 4.154 5.293 1.00 0.00 C ATOM 876 O ASP A 60 0.238 3.225 6.097 1.00 0.00 O ATOM 877 CB ASP A 60 2.304 5.280 6.315 1.00 0.00 C ATOM 878 CG ASP A 60 2.908 6.566 6.844 1.00 0.00 C ATOM 879 OD1 ASP A 60 3.497 7.320 6.041 1.00 0.00 O ATOM 880 OD2 ASP A 60 2.792 6.819 8.061 1.00 0.00 O ATOM 0 H ASP A 60 -0.206 5.632 7.470 1.00 0.00 H new ATOM 0 HA ASP A 60 1.014 6.117 4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.233 4.555 7.126 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.967 4.853 5.563 1.00 0.00 H new ATOM 885 N ARG A 61 -0.105 4.061 4.036 1.00 0.00 N ATOM 886 CA ARG A 61 -0.701 2.835 3.519 1.00 0.00 C ATOM 887 C ARG A 61 0.220 2.171 2.500 1.00 0.00 C ATOM 888 O ARG A 61 1.189 2.775 2.039 1.00 0.00 O ATOM 889 CB ARG A 61 -2.058 3.134 2.878 1.00 0.00 C ATOM 890 CG ARG A 61 -3.105 3.619 3.866 1.00 0.00 C ATOM 891 CD ARG A 61 -3.339 2.602 4.973 1.00 0.00 C ATOM 892 NE ARG A 61 -3.745 1.302 4.446 1.00 0.00 N ATOM 893 CZ ARG A 61 -3.660 0.170 5.136 1.00 0.00 C ATOM 894 NH1 ARG A 61 -3.187 0.179 6.374 1.00 0.00 N ATOM 895 NH2 ARG A 61 -4.049 -0.973 4.587 1.00 0.00 N ATOM 0 H ARG A 61 -0.045 4.820 3.357 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.844 2.149 4.354 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.926 3.888 2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.425 2.233 2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.785 4.566 4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.041 3.810 3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.427 2.487 5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.107 2.974 5.651 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.114 1.261 3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.887 1.056 6.799 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.123 -0.691 6.902 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.414 -0.983 3.634 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.983 -1.842 5.117 1.00 0.00 H new ATOM 909 N TRP A 62 -0.088 0.927 2.154 1.00 0.00 N ATOM 910 CA TRP A 62 0.712 0.180 1.191 1.00 0.00 C ATOM 911 C TRP A 62 -0.165 -0.397 0.085 1.00 0.00 C ATOM 912 O TRP A 62 -1.355 -0.641 0.288 1.00 0.00 O ATOM 913 CB TRP A 62 1.476 -0.944 1.892 1.00 0.00 C ATOM 914 CG TRP A 62 2.252 -0.479 3.088 1.00 0.00 C ATOM 915 CD1 TRP A 62 1.783 -0.329 4.362 1.00 0.00 C ATOM 916 CD2 TRP A 62 3.632 -0.101 3.119 1.00 0.00 C ATOM 917 NE1 TRP A 62 2.789 0.119 5.183 1.00 0.00 N ATOM 918 CE2 TRP A 62 3.933 0.266 4.446 1.00 0.00 C ATOM 919 CE3 TRP A 62 4.644 -0.039 2.157 1.00 0.00 C ATOM 920 CZ2 TRP A 62 5.203 0.689 4.831 1.00 0.00 C ATOM 921 CZ3 TRP A 62 5.903 0.381 2.541 1.00 0.00 C ATOM 922 CH2 TRP A 62 6.174 0.740 3.868 1.00 0.00 C ATOM 0 H TRP A 62 -0.887 0.414 2.526 1.00 0.00 H new ATOM 0 HA TRP A 62 1.427 0.868 0.740 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.770 -1.714 2.203 1.00 0.00 H new ATOM 0 HB3 TRP A 62 2.161 -1.407 1.181 1.00 0.00 H new ATOM 0 HD1 TRP A 62 0.770 -0.533 4.677 1.00 0.00 H new ATOM 0 HE1 TRP A 62 2.698 0.311 6.181 1.00 0.00 H new ATOM 0 HE3 TRP A 62 4.445 -0.314 1.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 5.414 0.967 5.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 6.692 0.434 1.805 1.00 0.00 H new ATOM 0 HH2 TRP A 62 7.169 1.063 4.136 1.00 0.00 H new ATOM 933 N TYR A 63 0.429 -0.614 -1.083 1.00 0.00 N ATOM 934 CA TYR A 63 -0.300 -1.162 -2.221 1.00 0.00 C ATOM 935 C TYR A 63 0.626 -1.974 -3.121 1.00 0.00 C ATOM 936 O TYR A 63 1.844 -1.978 -2.937 1.00 0.00 O ATOM 937 CB TYR A 63 -0.952 -0.036 -3.024 1.00 0.00 C ATOM 938 CG TYR A 63 -1.819 0.880 -2.190 1.00 0.00 C ATOM 939 CD1 TYR A 63 -1.260 1.707 -1.223 1.00 0.00 C ATOM 940 CD2 TYR A 63 -3.196 0.918 -2.368 1.00 0.00 C ATOM 941 CE1 TYR A 63 -2.049 2.545 -0.458 1.00 0.00 C ATOM 942 CE2 TYR A 63 -3.992 1.753 -1.608 1.00 0.00 C ATOM 943 CZ TYR A 63 -3.414 2.565 -0.654 1.00 0.00 C ATOM 944 OH TYR A 63 -4.203 3.397 0.105 1.00 0.00 O ATOM 0 H TYR A 63 1.413 -0.419 -1.267 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.077 -1.824 -1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.172 0.554 -3.505 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.558 -0.472 -3.819 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.191 1.695 -1.067 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.652 0.284 -3.114 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.599 3.181 0.290 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.061 1.770 -1.760 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.141 3.290 -0.160 1.00 0.00 H new ATOM 954 N HIS A 64 0.040 -2.660 -4.097 1.00 0.00 N ATOM 955 CA HIS A 64 0.811 -3.476 -5.028 1.00 0.00 C ATOM 956 C HIS A 64 1.332 -2.631 -6.188 1.00 0.00 C ATOM 957 O HIS A 64 0.674 -1.701 -6.654 1.00 0.00 O ATOM 958 CB HIS A 64 -0.045 -4.624 -5.563 1.00 0.00 C ATOM 959 CG HIS A 64 -0.615 -5.497 -4.488 1.00 0.00 C ATOM 960 ND1 HIS A 64 -0.039 -6.044 -3.392 1.00 0.00 N flip ATOM 961 CD2 HIS A 64 -1.934 -5.901 -4.467 1.00 0.00 C flip ATOM 962 CE1 HIS A 64 -1.009 -6.761 -2.736 1.00 0.00 C flip ATOM 963 NE2 HIS A 64 -2.143 -6.658 -3.405 1.00 0.00 N flip ATOM 0 H HIS A 64 -0.966 -2.667 -4.264 1.00 0.00 H new ATOM 0 HA HIS A 64 1.664 -3.889 -4.490 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.861 -4.212 -6.156 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.559 -5.235 -6.234 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.935 -5.942 -3.106 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.679 -5.639 -5.204 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.868 -7.318 -1.822 1.00 0.00 H new ATOM 971 N PRO A 65 2.541 -2.961 -6.664 1.00 0.00 N ATOM 972 CA PRO A 65 3.177 -2.245 -7.774 1.00 0.00 C ATOM 973 C PRO A 65 2.232 -2.048 -8.954 1.00 0.00 C ATOM 974 O PRO A 65 2.204 -0.984 -9.570 1.00 0.00 O ATOM 975 CB PRO A 65 4.340 -3.159 -8.167 1.00 0.00 C ATOM 976 CG PRO A 65 4.659 -3.920 -6.926 1.00 0.00 C ATOM 977 CD PRO A 65 3.382 -4.058 -6.156 1.00 0.00 C ATOM 0 HA PRO A 65 3.486 -1.240 -7.486 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.060 -3.828 -8.981 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.199 -2.582 -8.510 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.070 -4.900 -7.169 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.411 -3.397 -6.335 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.917 -5.029 -6.325 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.551 -3.968 -5.083 1.00 0.00 H new ATOM 985 N GLY A 66 1.457 -3.083 -9.265 1.00 0.00 N ATOM 986 CA GLY A 66 0.520 -3.004 -10.370 1.00 0.00 C ATOM 987 C GLY A 66 -0.660 -2.103 -10.067 1.00 0.00 C ATOM 988 O GLY A 66 -1.157 -1.399 -10.947 1.00 0.00 O ATOM 0 H GLY A 66 1.462 -3.975 -8.771 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.037 -2.634 -11.255 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.158 -4.004 -10.607 1.00 0.00 H new ATOM 992 N CYS A 67 -1.113 -2.124 -8.817 1.00 0.00 N ATOM 993 CA CYS A 67 -2.244 -1.305 -8.399 1.00 0.00 C ATOM 994 C CYS A 67 -1.835 0.159 -8.266 1.00 0.00 C ATOM 995 O CYS A 67 -2.632 1.063 -8.519 1.00 0.00 O ATOM 996 CB CYS A 67 -2.804 -1.813 -7.069 1.00 0.00 C ATOM 997 SG CYS A 67 -3.211 -3.589 -7.063 1.00 0.00 S ATOM 0 H CYS A 67 -0.713 -2.700 -8.076 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.018 -1.380 -9.163 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.077 -1.615 -6.282 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.701 -1.245 -6.824 1.00 0.00 H new ATOM 0 HG CYS A 67 -4.181 -3.809 -6.226 1.00 0.00 H new ATOM 1002 N PHE A 68 -0.588 0.385 -7.867 1.00 0.00 N ATOM 1003 CA PHE A 68 -0.073 1.739 -7.698 1.00 0.00 C ATOM 1004 C PHE A 68 -0.182 2.528 -9.000 1.00 0.00 C ATOM 1005 O PHE A 68 -0.489 3.720 -8.993 1.00 0.00 O ATOM 1006 CB PHE A 68 1.384 1.699 -7.233 1.00 0.00 C ATOM 1007 CG PHE A 68 1.910 3.035 -6.794 1.00 0.00 C ATOM 1008 CD1 PHE A 68 1.385 3.668 -5.678 1.00 0.00 C ATOM 1009 CD2 PHE A 68 2.929 3.659 -7.495 1.00 0.00 C ATOM 1010 CE1 PHE A 68 1.867 4.898 -5.272 1.00 0.00 C ATOM 1011 CE2 PHE A 68 3.416 4.889 -7.093 1.00 0.00 C ATOM 1012 CZ PHE A 68 2.884 5.509 -5.980 1.00 0.00 C ATOM 0 H PHE A 68 0.085 -0.352 -7.655 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.675 2.238 -6.939 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.474 0.993 -6.408 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.006 1.322 -8.045 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.591 3.195 -5.120 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.348 3.179 -8.367 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.449 5.381 -4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.211 5.364 -7.649 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.262 6.470 -5.663 1.00 0.00 H new ATOM 1022 N VAL A 69 0.073 1.853 -10.117 1.00 0.00 N ATOM 1023 CA VAL A 69 0.004 2.490 -11.427 1.00 0.00 C ATOM 1024 C VAL A 69 -1.443 2.686 -11.867 1.00 0.00 C ATOM 1025 O VAL A 69 -1.865 3.801 -12.173 1.00 0.00 O ATOM 1026 CB VAL A 69 0.745 1.661 -12.493 1.00 0.00 C ATOM 1027 CG1 VAL A 69 0.748 2.390 -13.828 1.00 0.00 C ATOM 1028 CG2 VAL A 69 2.164 1.357 -12.039 1.00 0.00 C ATOM 0 H VAL A 69 0.329 0.866 -10.141 1.00 0.00 H new ATOM 0 HA VAL A 69 0.487 3.463 -11.332 1.00 0.00 H new ATOM 0 HB VAL A 69 0.220 0.715 -12.624 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.276 1.790 -14.569 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.279 2.552 -14.156 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.249 3.352 -13.716 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.673 0.771 -12.804 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.703 2.291 -11.879 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.135 0.791 -11.108 1.00 0.00 H new ATOM 1038 N LYS A 70 -2.200 1.594 -11.896 1.00 0.00 N ATOM 1039 CA LYS A 70 -3.601 1.645 -12.296 1.00 0.00 C ATOM 1040 C LYS A 70 -4.354 2.711 -11.508 1.00 0.00 C ATOM 1041 O LYS A 70 -5.156 3.459 -12.066 1.00 0.00 O ATOM 1042 CB LYS A 70 -4.262 0.280 -12.088 1.00 0.00 C ATOM 1043 CG LYS A 70 -4.067 -0.674 -13.254 1.00 0.00 C ATOM 1044 CD LYS A 70 -5.211 -1.669 -13.357 1.00 0.00 C ATOM 1045 CE LYS A 70 -6.362 -1.111 -14.180 1.00 0.00 C ATOM 1046 NZ LYS A 70 -6.986 0.074 -13.529 1.00 0.00 N ATOM 0 H LYS A 70 -1.866 0.663 -11.647 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.641 1.905 -13.354 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.858 -0.176 -11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.330 0.424 -11.922 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.993 -0.106 -14.181 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.126 -1.211 -13.133 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.852 -2.592 -13.811 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.566 -1.922 -12.358 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.999 -0.833 -15.170 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.115 -1.886 -14.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.906 0.270 -13.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.124 -0.119 -12.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.364 0.900 -13.642 1.00 0.00 H new ATOM 1060 N ASN A 71 -4.089 2.777 -10.207 1.00 0.00 N ATOM 1061 CA ASN A 71 -4.742 3.753 -9.342 1.00 0.00 C ATOM 1062 C ASN A 71 -3.817 4.933 -9.058 1.00 0.00 C ATOM 1063 O ASN A 71 -3.833 5.499 -7.965 1.00 0.00 O ATOM 1064 CB ASN A 71 -5.168 3.097 -8.028 1.00 0.00 C ATOM 1065 CG ASN A 71 -5.831 1.750 -8.242 1.00 0.00 C ATOM 1066 OD1 ASN A 71 -6.464 1.514 -9.272 1.00 0.00 O ATOM 1067 ND2 ASN A 71 -5.690 0.859 -7.268 1.00 0.00 N ATOM 0 H ASN A 71 -3.427 2.166 -9.729 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.627 4.124 -9.858 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.295 2.971 -7.388 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.856 3.758 -7.502 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.115 -0.064 -7.356 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.157 1.098 -6.432 1.00 0.00 H new ATOM 1074 N ARG A 72 -3.011 5.298 -10.050 1.00 0.00 N ATOM 1075 CA ARG A 72 -2.078 6.409 -9.907 1.00 0.00 C ATOM 1076 C ARG A 72 -2.821 7.741 -9.871 1.00 0.00 C ATOM 1077 O ARG A 72 -2.651 8.532 -8.944 1.00 0.00 O ATOM 1078 CB ARG A 72 -1.069 6.407 -11.056 1.00 0.00 C ATOM 1079 CG ARG A 72 -1.698 6.642 -12.420 1.00 0.00 C ATOM 1080 CD ARG A 72 -0.703 6.391 -13.543 1.00 0.00 C ATOM 1081 NE ARG A 72 -1.135 6.995 -14.801 1.00 0.00 N ATOM 1082 CZ ARG A 72 -2.103 6.497 -15.561 1.00 0.00 C ATOM 1083 NH1 ARG A 72 -2.738 5.393 -15.192 1.00 0.00 N ATOM 1084 NH2 ARG A 72 -2.439 7.103 -16.692 1.00 0.00 N ATOM 0 H ARG A 72 -2.986 4.840 -10.961 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.545 6.284 -8.965 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.321 7.178 -10.873 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.545 5.451 -11.067 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.560 5.986 -12.542 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.066 7.666 -12.481 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.270 6.794 -13.262 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.575 5.317 -13.681 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.667 7.846 -15.113 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.483 4.924 -14.323 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.481 5.012 -15.778 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.953 7.953 -16.979 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.183 6.719 -17.275 1.00 0.00 H new ATOM 1098 N GLU A 73 -3.644 7.982 -10.887 1.00 0.00 N ATOM 1099 CA GLU A 73 -4.412 9.219 -10.972 1.00 0.00 C ATOM 1100 C GLU A 73 -5.317 9.381 -9.754 1.00 0.00 C ATOM 1101 O GLU A 73 -5.164 10.321 -8.975 1.00 0.00 O ATOM 1102 CB GLU A 73 -5.251 9.238 -12.251 1.00 0.00 C ATOM 1103 CG GLU A 73 -4.477 9.688 -13.479 1.00 0.00 C ATOM 1104 CD GLU A 73 -5.371 10.302 -14.539 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -6.275 9.596 -15.034 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -5.167 11.488 -14.874 1.00 0.00 O ATOM 0 H GLU A 73 -3.796 7.337 -11.663 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.710 10.052 -10.995 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.650 8.239 -12.429 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.104 9.901 -12.106 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.721 10.414 -13.181 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.949 8.834 -13.904 1.00 0.00 H new ATOM 1113 N GLU A 74 -6.262 8.458 -9.599 1.00 0.00 N ATOM 1114 CA GLU A 74 -7.193 8.500 -8.477 1.00 0.00 C ATOM 1115 C GLU A 74 -6.482 8.925 -7.195 1.00 0.00 C ATOM 1116 O GLU A 74 -6.981 9.764 -6.444 1.00 0.00 O ATOM 1117 CB GLU A 74 -7.850 7.133 -8.280 1.00 0.00 C ATOM 1118 CG GLU A 74 -7.134 6.254 -7.268 1.00 0.00 C ATOM 1119 CD GLU A 74 -7.879 4.963 -6.986 1.00 0.00 C ATOM 1120 OE1 GLU A 74 -8.116 4.195 -7.942 1.00 0.00 O ATOM 1121 OE2 GLU A 74 -8.224 4.721 -5.811 1.00 0.00 O ATOM 0 H GLU A 74 -6.403 7.673 -10.235 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.964 9.236 -8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.881 7.278 -7.958 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.885 6.615 -9.238 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.136 6.020 -7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.008 6.807 -6.337 1.00 0.00 H new ATOM 1128 N LEU A 75 -5.314 8.340 -6.952 1.00 0.00 N ATOM 1129 CA LEU A 75 -4.534 8.656 -5.761 1.00 0.00 C ATOM 1130 C LEU A 75 -3.898 10.038 -5.878 1.00 0.00 C ATOM 1131 O LEU A 75 -3.783 10.765 -4.892 1.00 0.00 O ATOM 1132 CB LEU A 75 -3.449 7.600 -5.542 1.00 0.00 C ATOM 1133 CG LEU A 75 -3.940 6.203 -5.159 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -2.884 5.159 -5.483 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -4.305 6.154 -3.682 1.00 0.00 C ATOM 0 H LEU A 75 -4.887 7.645 -7.564 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.209 8.657 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.860 7.519 -6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.778 7.954 -4.760 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.833 5.979 -5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.251 4.171 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.670 5.178 -6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.973 5.378 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.652 5.153 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.428 6.398 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.096 6.876 -3.479 1.00 0.00 H new ATOM 1147 N GLY A 76 -3.488 10.394 -7.091 1.00 0.00 N ATOM 1148 CA GLY A 76 -2.871 11.688 -7.315 1.00 0.00 C ATOM 1149 C GLY A 76 -1.371 11.589 -7.513 1.00 0.00 C ATOM 1150 O GLY A 76 -0.614 12.415 -7.001 1.00 0.00 O ATOM 0 H GLY A 76 -3.572 9.809 -7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.320 12.154 -8.192 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.080 12.339 -6.466 1.00 0.00 H new ATOM 1154 N PHE A 77 -0.939 10.575 -8.255 1.00 0.00 N ATOM 1155 CA PHE A 77 0.481 10.370 -8.517 1.00 0.00 C ATOM 1156 C PHE A 77 0.906 11.081 -9.798 1.00 0.00 C ATOM 1157 O PHE A 77 0.807 10.525 -10.891 1.00 0.00 O ATOM 1158 CB PHE A 77 0.790 8.875 -8.623 1.00 0.00 C ATOM 1159 CG PHE A 77 2.258 8.562 -8.584 1.00 0.00 C ATOM 1160 CD1 PHE A 77 2.937 8.510 -7.377 1.00 0.00 C ATOM 1161 CD2 PHE A 77 2.960 8.319 -9.753 1.00 0.00 C ATOM 1162 CE1 PHE A 77 4.288 8.224 -7.338 1.00 0.00 C ATOM 1163 CE2 PHE A 77 4.312 8.032 -9.721 1.00 0.00 C ATOM 1164 CZ PHE A 77 4.976 7.983 -8.511 1.00 0.00 C ATOM 0 H PHE A 77 -1.552 9.882 -8.686 1.00 0.00 H new ATOM 0 HA PHE A 77 1.044 10.793 -7.685 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.293 8.351 -7.807 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.369 8.490 -9.552 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.404 8.695 -6.456 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.445 8.354 -10.701 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.806 8.189 -6.391 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.848 7.847 -10.640 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.032 7.757 -8.482 1.00 0.00 H new ATOM 1174 N ARG A 78 1.380 12.314 -9.653 1.00 0.00 N ATOM 1175 CA ARG A 78 1.820 13.103 -10.798 1.00 0.00 C ATOM 1176 C ARG A 78 2.788 12.306 -11.667 1.00 0.00 C ATOM 1177 O ARG A 78 3.494 11.415 -11.196 1.00 0.00 O ATOM 1178 CB ARG A 78 2.487 14.397 -10.327 1.00 0.00 C ATOM 1179 CG ARG A 78 1.500 15.462 -9.877 1.00 0.00 C ATOM 1180 CD ARG A 78 2.163 16.489 -8.972 1.00 0.00 C ATOM 1181 NE ARG A 78 1.471 17.775 -9.005 1.00 0.00 N ATOM 1182 CZ ARG A 78 0.318 18.005 -8.387 1.00 0.00 C ATOM 1183 NH1 ARG A 78 -0.270 17.041 -7.693 1.00 0.00 N ATOM 1184 NH2 ARG A 78 -0.250 19.202 -8.464 1.00 0.00 N ATOM 0 H ARG A 78 1.469 12.788 -8.754 1.00 0.00 H new ATOM 0 HA ARG A 78 0.943 13.351 -11.395 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.163 14.168 -9.503 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.096 14.797 -11.137 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.079 15.962 -10.750 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.671 14.991 -9.349 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.181 16.113 -7.949 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.200 16.627 -9.279 1.00 0.00 H new ATOM 0 HE ARG A 78 1.896 18.538 -9.531 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.163 16.119 -7.632 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.155 17.221 -7.220 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.199 19.946 -8.998 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.135 19.378 -7.989 1.00 0.00 H new ATOM 1198 N PRO A 79 2.822 12.634 -12.968 1.00 0.00 N ATOM 1199 CA PRO A 79 3.699 11.961 -13.931 1.00 0.00 C ATOM 1200 C PRO A 79 5.170 12.296 -13.707 1.00 0.00 C ATOM 1201 O PRO A 79 6.056 11.571 -14.159 1.00 0.00 O ATOM 1202 CB PRO A 79 3.226 12.505 -15.281 1.00 0.00 C ATOM 1203 CG PRO A 79 2.618 13.828 -14.965 1.00 0.00 C ATOM 1204 CD PRO A 79 2.007 13.686 -13.598 1.00 0.00 C ATOM 0 HA PRO A 79 3.639 10.876 -13.849 1.00 0.00 H new ATOM 0 HB2 PRO A 79 4.057 12.608 -15.979 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.501 11.837 -15.745 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.371 14.616 -14.976 1.00 0.00 H new ATOM 0 HG3 PRO A 79 1.863 14.097 -15.704 1.00 0.00 H new ATOM 0 HD2 PRO A 79 2.054 14.620 -13.038 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.957 13.401 -13.655 1.00 0.00 H new ATOM 1212 N GLU A 80 5.422 13.397 -13.007 1.00 0.00 N ATOM 1213 CA GLU A 80 6.786 13.827 -12.724 1.00 0.00 C ATOM 1214 C GLU A 80 7.500 12.818 -11.829 1.00 0.00 C ATOM 1215 O GLU A 80 8.729 12.758 -11.800 1.00 0.00 O ATOM 1216 CB GLU A 80 6.784 15.204 -12.058 1.00 0.00 C ATOM 1217 CG GLU A 80 6.179 15.205 -10.664 1.00 0.00 C ATOM 1218 CD GLU A 80 5.693 16.578 -10.240 1.00 0.00 C ATOM 1219 OE1 GLU A 80 4.881 17.173 -10.979 1.00 0.00 O ATOM 1220 OE2 GLU A 80 6.124 17.056 -9.170 1.00 0.00 O ATOM 0 H GLU A 80 4.699 14.008 -12.625 1.00 0.00 H new ATOM 0 HA GLU A 80 7.322 13.891 -13.671 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.808 15.572 -12.001 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.230 15.901 -12.686 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.346 14.503 -10.633 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.922 14.850 -9.949 1.00 0.00 H new ATOM 1227 N TYR A 81 6.720 12.029 -11.099 1.00 0.00 N ATOM 1228 CA TYR A 81 7.276 11.024 -10.200 1.00 0.00 C ATOM 1229 C TYR A 81 7.588 9.734 -10.951 1.00 0.00 C ATOM 1230 O TYR A 81 6.771 9.241 -11.728 1.00 0.00 O ATOM 1231 CB TYR A 81 6.301 10.738 -9.056 1.00 0.00 C ATOM 1232 CG TYR A 81 5.720 11.986 -8.430 1.00 0.00 C ATOM 1233 CD1 TYR A 81 6.493 13.128 -8.262 1.00 0.00 C ATOM 1234 CD2 TYR A 81 4.398 12.022 -8.004 1.00 0.00 C ATOM 1235 CE1 TYR A 81 5.967 14.270 -7.690 1.00 0.00 C ATOM 1236 CE2 TYR A 81 3.862 13.160 -7.432 1.00 0.00 C ATOM 1237 CZ TYR A 81 4.651 14.281 -7.277 1.00 0.00 C ATOM 1238 OH TYR A 81 4.122 15.416 -6.706 1.00 0.00 O ATOM 0 H TYR A 81 5.701 12.066 -11.112 1.00 0.00 H new ATOM 0 HA TYR A 81 8.205 11.417 -9.788 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.487 10.117 -9.430 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.815 10.161 -8.287 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.524 13.123 -8.584 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.778 11.145 -8.122 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.582 15.149 -7.567 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.832 13.172 -7.108 1.00 0.00 H new ATOM 0 HH TYR A 81 4.571 16.206 -7.073 1.00 0.00 H new ATOM 1248 N SER A 82 8.778 9.191 -10.712 1.00 0.00 N ATOM 1249 CA SER A 82 9.202 7.960 -11.367 1.00 0.00 C ATOM 1250 C SER A 82 9.711 6.948 -10.345 1.00 0.00 C ATOM 1251 O SER A 82 9.958 7.288 -9.189 1.00 0.00 O ATOM 1252 CB SER A 82 10.294 8.255 -12.397 1.00 0.00 C ATOM 1253 OG SER A 82 11.334 9.032 -11.829 1.00 0.00 O ATOM 0 H SER A 82 9.465 9.585 -10.069 1.00 0.00 H new ATOM 0 HA SER A 82 8.338 7.533 -11.876 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.702 7.319 -12.778 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.863 8.784 -13.247 1.00 0.00 H new ATOM 0 HG SER A 82 12.020 9.206 -12.507 1.00 0.00 H new ATOM 1259 N ALA A 83 9.866 5.702 -10.782 1.00 0.00 N ATOM 1260 CA ALA A 83 10.348 4.640 -9.907 1.00 0.00 C ATOM 1261 C ALA A 83 11.674 5.022 -9.259 1.00 0.00 C ATOM 1262 O ALA A 83 11.909 4.734 -8.085 1.00 0.00 O ATOM 1263 CB ALA A 83 10.493 3.341 -10.684 1.00 0.00 C ATOM 0 H ALA A 83 9.665 5.404 -11.736 1.00 0.00 H new ATOM 0 HA ALA A 83 9.614 4.496 -9.114 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.854 2.557 -10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.525 3.052 -11.094 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.204 3.481 -11.498 1.00 0.00 H new ATOM 1269 N SER A 84 12.539 5.672 -10.031 1.00 0.00 N ATOM 1270 CA SER A 84 13.845 6.090 -9.533 1.00 0.00 C ATOM 1271 C SER A 84 13.696 7.013 -8.328 1.00 0.00 C ATOM 1272 O SER A 84 14.477 6.943 -7.380 1.00 0.00 O ATOM 1273 CB SER A 84 14.633 6.796 -10.637 1.00 0.00 C ATOM 1274 OG SER A 84 15.962 7.063 -10.224 1.00 0.00 O ATOM 0 H SER A 84 12.359 5.921 -11.004 1.00 0.00 H new ATOM 0 HA SER A 84 14.390 5.199 -9.221 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.645 6.176 -11.533 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.137 7.730 -10.902 1.00 0.00 H new ATOM 0 HG SER A 84 16.445 7.513 -10.948 1.00 0.00 H new ATOM 1280 N GLN A 85 12.689 7.879 -8.374 1.00 0.00 N ATOM 1281 CA GLN A 85 12.438 8.817 -7.287 1.00 0.00 C ATOM 1282 C GLN A 85 12.018 8.081 -6.018 1.00 0.00 C ATOM 1283 O GLN A 85 12.355 8.494 -4.908 1.00 0.00 O ATOM 1284 CB GLN A 85 11.356 9.821 -7.690 1.00 0.00 C ATOM 1285 CG GLN A 85 11.883 10.985 -8.513 1.00 0.00 C ATOM 1286 CD GLN A 85 11.083 12.256 -8.305 1.00 0.00 C ATOM 1287 OE1 GLN A 85 9.962 12.385 -8.798 1.00 0.00 O ATOM 1288 NE2 GLN A 85 11.655 13.203 -7.571 1.00 0.00 N ATOM 0 H GLN A 85 12.034 7.950 -9.152 1.00 0.00 H new ATOM 0 HA GLN A 85 13.364 9.354 -7.084 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.585 9.303 -8.261 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.879 10.209 -6.790 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.925 11.169 -8.250 1.00 0.00 H new ATOM 0 HG3 GLN A 85 11.863 10.717 -9.569 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.586 13.054 -7.182 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.164 14.080 -7.396 1.00 0.00 H new ATOM 1297 N LEU A 86 11.281 6.990 -6.190 1.00 0.00 N ATOM 1298 CA LEU A 86 10.814 6.196 -5.059 1.00 0.00 C ATOM 1299 C LEU A 86 11.969 5.849 -4.124 1.00 0.00 C ATOM 1300 O LEU A 86 13.015 5.370 -4.563 1.00 0.00 O ATOM 1301 CB LEU A 86 10.141 4.915 -5.553 1.00 0.00 C ATOM 1302 CG LEU A 86 8.900 5.103 -6.427 1.00 0.00 C ATOM 1303 CD1 LEU A 86 8.517 3.794 -7.099 1.00 0.00 C ATOM 1304 CD2 LEU A 86 7.741 5.639 -5.599 1.00 0.00 C ATOM 0 H LEU A 86 10.994 6.635 -7.102 1.00 0.00 H new ATOM 0 HA LEU A 86 10.087 6.790 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.874 4.337 -6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.863 4.317 -4.685 1.00 0.00 H new ATOM 0 HG LEU A 86 9.133 5.831 -7.204 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.632 3.947 -7.717 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.341 3.451 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.303 3.043 -6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.866 5.767 -6.237 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.508 4.935 -4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.017 6.600 -5.166 1.00 0.00 H new ATOM 1316 N LYS A 87 11.771 6.092 -2.833 1.00 0.00 N ATOM 1317 CA LYS A 87 12.794 5.802 -1.834 1.00 0.00 C ATOM 1318 C LYS A 87 13.017 4.299 -1.704 1.00 0.00 C ATOM 1319 O LYS A 87 12.092 3.548 -1.397 1.00 0.00 O ATOM 1320 CB LYS A 87 12.392 6.388 -0.479 1.00 0.00 C ATOM 1321 CG LYS A 87 13.492 6.314 0.566 1.00 0.00 C ATOM 1322 CD LYS A 87 13.039 6.892 1.896 1.00 0.00 C ATOM 1323 CE LYS A 87 14.223 7.281 2.767 1.00 0.00 C ATOM 1324 NZ LYS A 87 14.856 8.549 2.310 1.00 0.00 N ATOM 0 H LYS A 87 10.912 6.489 -2.453 1.00 0.00 H new ATOM 0 HA LYS A 87 13.727 6.263 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.101 7.430 -0.615 1.00 0.00 H new ATOM 0 HB3 LYS A 87 11.515 5.858 -0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.795 5.276 0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.368 6.857 0.212 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.413 7.767 1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.424 6.161 2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.893 7.392 3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.963 6.480 2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 15.545 8.869 3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.342 8.388 1.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.124 9.277 2.185 1.00 0.00 H new ATOM 1338 N GLY A 88 14.252 3.866 -1.939 1.00 0.00 N ATOM 1339 CA GLY A 88 14.574 2.454 -1.842 1.00 0.00 C ATOM 1340 C GLY A 88 14.360 1.719 -3.150 1.00 0.00 C ATOM 1341 O GLY A 88 13.996 0.543 -3.158 1.00 0.00 O ATOM 0 H GLY A 88 15.035 4.468 -2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 88 15.613 2.342 -1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.959 1.997 -1.067 1.00 0.00 H new ATOM 1345 N PHE A 89 14.586 2.413 -4.261 1.00 0.00 N ATOM 1346 CA PHE A 89 14.414 1.820 -5.582 1.00 0.00 C ATOM 1347 C PHE A 89 15.654 1.030 -5.989 1.00 0.00 C ATOM 1348 O PHE A 89 15.561 -0.132 -6.387 1.00 0.00 O ATOM 1349 CB PHE A 89 14.124 2.907 -6.619 1.00 0.00 C ATOM 1350 CG PHE A 89 14.237 2.427 -8.037 1.00 0.00 C ATOM 1351 CD1 PHE A 89 13.422 1.408 -8.505 1.00 0.00 C ATOM 1352 CD2 PHE A 89 15.157 2.996 -8.904 1.00 0.00 C ATOM 1353 CE1 PHE A 89 13.525 0.965 -9.810 1.00 0.00 C ATOM 1354 CE2 PHE A 89 15.263 2.556 -10.210 1.00 0.00 C ATOM 1355 CZ PHE A 89 14.445 1.540 -10.664 1.00 0.00 C ATOM 0 H PHE A 89 14.889 3.387 -4.272 1.00 0.00 H new ATOM 0 HA PHE A 89 13.567 1.135 -5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 89 13.119 3.296 -6.454 1.00 0.00 H new ATOM 0 HB3 PHE A 89 14.816 3.736 -6.468 1.00 0.00 H new ATOM 0 HD1 PHE A 89 12.699 0.955 -7.843 1.00 0.00 H new ATOM 0 HD2 PHE A 89 15.798 3.792 -8.555 1.00 0.00 H new ATOM 0 HE1 PHE A 89 12.886 0.169 -10.162 1.00 0.00 H new ATOM 0 HE2 PHE A 89 15.985 3.006 -10.875 1.00 0.00 H new ATOM 0 HZ PHE A 89 14.525 1.196 -11.685 1.00 0.00 H new ATOM 1365 N SER A 90 16.815 1.669 -5.888 1.00 0.00 N ATOM 1366 CA SER A 90 18.074 1.029 -6.251 1.00 0.00 C ATOM 1367 C SER A 90 18.242 -0.296 -5.513 1.00 0.00 C ATOM 1368 O SER A 90 18.781 -1.260 -6.058 1.00 0.00 O ATOM 1369 CB SER A 90 19.251 1.955 -5.934 1.00 0.00 C ATOM 1370 OG SER A 90 20.444 1.486 -6.538 1.00 0.00 O ATOM 0 H SER A 90 16.910 2.629 -5.558 1.00 0.00 H new ATOM 0 HA SER A 90 18.056 0.829 -7.322 1.00 0.00 H new ATOM 0 HB2 SER A 90 19.031 2.962 -6.288 1.00 0.00 H new ATOM 0 HB3 SER A 90 19.387 2.020 -4.854 1.00 0.00 H new ATOM 0 HG SER A 90 21.181 2.095 -6.322 1.00 0.00 H new ATOM 1376 N LEU A 91 17.777 -0.336 -4.269 1.00 0.00 N ATOM 1377 CA LEU A 91 17.874 -1.542 -3.454 1.00 0.00 C ATOM 1378 C LEU A 91 17.150 -2.708 -4.119 1.00 0.00 C ATOM 1379 O LEU A 91 17.633 -3.841 -4.107 1.00 0.00 O ATOM 1380 CB LEU A 91 17.290 -1.290 -2.063 1.00 0.00 C ATOM 1381 CG LEU A 91 17.900 -0.128 -1.279 1.00 0.00 C ATOM 1382 CD1 LEU A 91 17.113 0.127 -0.003 1.00 0.00 C ATOM 1383 CD2 LEU A 91 19.361 -0.408 -0.960 1.00 0.00 C ATOM 0 H LEU A 91 17.329 0.453 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 91 18.928 -1.801 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 91 16.220 -1.110 -2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 91 17.404 -2.199 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 91 17.850 0.768 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 91 17.562 0.958 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 91 16.082 0.374 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.130 -0.767 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 91 19.779 0.430 -0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 91 19.435 -1.316 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 91 19.917 -0.539 -1.888 1.00 0.00 H new ATOM 1395 N LEU A 92 15.990 -2.423 -4.700 1.00 0.00 N ATOM 1396 CA LEU A 92 15.199 -3.448 -5.373 1.00 0.00 C ATOM 1397 C LEU A 92 16.040 -4.195 -6.405 1.00 0.00 C ATOM 1398 O LEU A 92 16.965 -3.633 -6.990 1.00 0.00 O ATOM 1399 CB LEU A 92 13.981 -2.818 -6.050 1.00 0.00 C ATOM 1400 CG LEU A 92 13.061 -1.996 -5.147 1.00 0.00 C ATOM 1401 CD1 LEU A 92 11.944 -1.360 -5.960 1.00 0.00 C ATOM 1402 CD2 LEU A 92 12.488 -2.866 -4.038 1.00 0.00 C ATOM 0 H LEU A 92 15.576 -1.491 -4.719 1.00 0.00 H new ATOM 0 HA LEU A 92 14.860 -4.162 -4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.331 -2.176 -6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.392 -3.614 -6.507 1.00 0.00 H new ATOM 0 HG LEU A 92 13.648 -1.199 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.299 -0.779 -5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.373 -0.704 -6.718 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.358 -2.140 -6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.835 -2.265 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.916 -3.684 -4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.302 -3.273 -3.438 1.00 0.00 H new ATOM 1414 N ALA A 93 15.709 -5.463 -6.624 1.00 0.00 N ATOM 1415 CA ALA A 93 16.430 -6.285 -7.587 1.00 0.00 C ATOM 1416 C ALA A 93 16.175 -5.810 -9.014 1.00 0.00 C ATOM 1417 O ALA A 93 15.053 -5.444 -9.367 1.00 0.00 O ATOM 1418 CB ALA A 93 16.033 -7.746 -7.437 1.00 0.00 C ATOM 0 H ALA A 93 14.946 -5.943 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 93 17.496 -6.187 -7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.580 -8.348 -8.163 1.00 0.00 H new ATOM 0 HB2 ALA A 93 16.272 -8.086 -6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.962 -7.852 -7.611 1.00 0.00 H new ATOM 1424 N THR A 94 17.223 -5.816 -9.832 1.00 0.00 N ATOM 1425 CA THR A 94 17.112 -5.384 -11.219 1.00 0.00 C ATOM 1426 C THR A 94 15.861 -5.956 -11.875 1.00 0.00 C ATOM 1427 O THR A 94 15.159 -5.259 -12.606 1.00 0.00 O ATOM 1428 CB THR A 94 18.346 -5.806 -12.039 1.00 0.00 C ATOM 1429 OG1 THR A 94 19.540 -5.323 -11.412 1.00 0.00 O ATOM 1430 CG2 THR A 94 18.261 -5.270 -13.460 1.00 0.00 C ATOM 0 H THR A 94 18.159 -6.116 -9.557 1.00 0.00 H new ATOM 0 HA THR A 94 17.047 -4.296 -11.207 1.00 0.00 H new ATOM 0 HB THR A 94 18.372 -6.895 -12.079 1.00 0.00 H new ATOM 0 HG1 THR A 94 20.320 -5.597 -11.939 1.00 0.00 H new ATOM 0 HG21 THR A 94 19.143 -5.581 -14.020 1.00 0.00 H new ATOM 0 HG22 THR A 94 17.367 -5.663 -13.944 1.00 0.00 H new ATOM 0 HG23 THR A 94 18.212 -4.181 -13.436 1.00 0.00 H new ATOM 1438 N GLU A 95 15.588 -7.230 -11.608 1.00 0.00 N ATOM 1439 CA GLU A 95 14.420 -7.895 -12.174 1.00 0.00 C ATOM 1440 C GLU A 95 13.193 -6.990 -12.106 1.00 0.00 C ATOM 1441 O GLU A 95 12.583 -6.674 -13.128 1.00 0.00 O ATOM 1442 CB GLU A 95 14.143 -9.205 -11.434 1.00 0.00 C ATOM 1443 CG GLU A 95 14.941 -10.384 -11.965 1.00 0.00 C ATOM 1444 CD GLU A 95 14.618 -11.679 -11.244 1.00 0.00 C ATOM 1445 OE1 GLU A 95 15.082 -11.850 -10.097 1.00 0.00 O ATOM 1446 OE2 GLU A 95 13.903 -12.520 -11.826 1.00 0.00 O ATOM 0 H GLU A 95 16.159 -7.821 -11.004 1.00 0.00 H new ATOM 0 HA GLU A 95 14.630 -8.115 -13.221 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.370 -9.070 -10.376 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.080 -9.435 -11.505 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.739 -10.505 -13.029 1.00 0.00 H new ATOM 0 HG3 GLU A 95 16.006 -10.172 -11.865 1.00 0.00 H new ATOM 1453 N ASP A 96 12.836 -6.577 -10.894 1.00 0.00 N ATOM 1454 CA ASP A 96 11.682 -5.709 -10.691 1.00 0.00 C ATOM 1455 C ASP A 96 11.923 -4.333 -11.306 1.00 0.00 C ATOM 1456 O ASP A 96 11.067 -3.797 -12.009 1.00 0.00 O ATOM 1457 CB ASP A 96 11.379 -5.568 -9.199 1.00 0.00 C ATOM 1458 CG ASP A 96 12.513 -4.910 -8.437 1.00 0.00 C ATOM 1459 OD1 ASP A 96 12.703 -3.686 -8.598 1.00 0.00 O ATOM 1460 OD2 ASP A 96 13.208 -5.618 -7.680 1.00 0.00 O ATOM 0 H ASP A 96 13.329 -6.830 -10.038 1.00 0.00 H new ATOM 0 HA ASP A 96 10.824 -6.164 -11.186 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.470 -4.981 -9.070 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.185 -6.554 -8.776 1.00 0.00 H new ATOM 1465 N LYS A 97 13.093 -3.766 -11.034 1.00 0.00 N ATOM 1466 CA LYS A 97 13.448 -2.453 -11.559 1.00 0.00 C ATOM 1467 C LYS A 97 12.932 -2.280 -12.984 1.00 0.00 C ATOM 1468 O LYS A 97 12.032 -1.479 -13.234 1.00 0.00 O ATOM 1469 CB LYS A 97 14.966 -2.262 -11.528 1.00 0.00 C ATOM 1470 CG LYS A 97 15.487 -1.744 -10.199 1.00 0.00 C ATOM 1471 CD LYS A 97 16.996 -1.893 -10.095 1.00 0.00 C ATOM 1472 CE LYS A 97 17.599 -0.836 -9.183 1.00 0.00 C ATOM 1473 NZ LYS A 97 17.935 0.411 -9.926 1.00 0.00 N ATOM 0 H LYS A 97 13.812 -4.196 -10.452 1.00 0.00 H new ATOM 0 HA LYS A 97 12.980 -1.698 -10.927 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.448 -3.214 -11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.252 -1.567 -12.317 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.215 -0.695 -10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.010 -2.287 -9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.239 -2.885 -9.714 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.440 -1.815 -11.088 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.897 -0.604 -8.382 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.499 -1.232 -8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.714 0.903 -9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.224 0.170 -10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.101 1.032 -9.958 1.00 0.00 H new ATOM 1487 N GLU A 98 13.508 -3.036 -13.914 1.00 0.00 N ATOM 1488 CA GLU A 98 13.105 -2.965 -15.313 1.00 0.00 C ATOM 1489 C GLU A 98 11.585 -2.992 -15.443 1.00 0.00 C ATOM 1490 O GLU A 98 11.010 -2.296 -16.279 1.00 0.00 O ATOM 1491 CB GLU A 98 13.716 -4.124 -16.103 1.00 0.00 C ATOM 1492 CG GLU A 98 15.236 -4.124 -16.104 1.00 0.00 C ATOM 1493 CD GLU A 98 15.818 -5.042 -17.162 1.00 0.00 C ATOM 1494 OE1 GLU A 98 15.719 -4.704 -18.360 1.00 0.00 O ATOM 1495 OE2 GLU A 98 16.373 -6.097 -16.791 1.00 0.00 O ATOM 0 H GLU A 98 14.255 -3.704 -13.723 1.00 0.00 H new ATOM 0 HA GLU A 98 13.471 -2.023 -15.722 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.361 -5.066 -15.684 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.360 -4.079 -17.132 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.596 -3.109 -16.271 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.596 -4.432 -15.123 1.00 0.00 H new ATOM 1502 N ALA A 99 10.940 -3.803 -14.610 1.00 0.00 N ATOM 1503 CA ALA A 99 9.487 -3.922 -14.631 1.00 0.00 C ATOM 1504 C ALA A 99 8.824 -2.600 -14.258 1.00 0.00 C ATOM 1505 O ALA A 99 7.865 -2.172 -14.902 1.00 0.00 O ATOM 1506 CB ALA A 99 9.035 -5.026 -13.687 1.00 0.00 C ATOM 0 H ALA A 99 11.401 -4.387 -13.912 1.00 0.00 H new ATOM 0 HA ALA A 99 9.182 -4.179 -15.645 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.948 -5.104 -13.712 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.474 -5.974 -13.999 1.00 0.00 H new ATOM 0 HB3 ALA A 99 9.358 -4.792 -12.673 1.00 0.00 H new ATOM 1512 N LEU A 100 9.338 -1.959 -13.215 1.00 0.00 N ATOM 1513 CA LEU A 100 8.795 -0.685 -12.756 1.00 0.00 C ATOM 1514 C LEU A 100 9.103 0.429 -13.751 1.00 0.00 C ATOM 1515 O LEU A 100 8.199 1.112 -14.235 1.00 0.00 O ATOM 1516 CB LEU A 100 9.367 -0.330 -11.382 1.00 0.00 C ATOM 1517 CG LEU A 100 8.788 -1.100 -10.195 1.00 0.00 C ATOM 1518 CD1 LEU A 100 9.625 -0.864 -8.947 1.00 0.00 C ATOM 1519 CD2 LEU A 100 7.341 -0.698 -9.952 1.00 0.00 C ATOM 0 H LEU A 100 10.130 -2.300 -12.671 1.00 0.00 H new ATOM 0 HA LEU A 100 7.713 -0.787 -12.677 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.444 -0.495 -11.406 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.211 0.735 -11.210 1.00 0.00 H new ATOM 0 HG LEU A 100 8.814 -2.164 -10.430 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.198 -1.420 -8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.646 -1.203 -9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.632 0.200 -8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.946 -1.256 -9.103 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.291 0.370 -9.739 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.748 -0.919 -10.840 1.00 0.00 H new ATOM 1531 N LYS A 101 10.384 0.606 -14.055 1.00 0.00 N ATOM 1532 CA LYS A 101 10.812 1.634 -14.996 1.00 0.00 C ATOM 1533 C LYS A 101 9.828 1.755 -16.156 1.00 0.00 C ATOM 1534 O LYS A 101 9.419 2.856 -16.524 1.00 0.00 O ATOM 1535 CB LYS A 101 12.210 1.315 -15.531 1.00 0.00 C ATOM 1536 CG LYS A 101 13.271 1.231 -14.447 1.00 0.00 C ATOM 1537 CD LYS A 101 14.672 1.277 -15.034 1.00 0.00 C ATOM 1538 CE LYS A 101 15.155 -0.109 -15.434 1.00 0.00 C ATOM 1539 NZ LYS A 101 14.739 -0.463 -16.819 1.00 0.00 N ATOM 0 H LYS A 101 11.144 0.050 -13.663 1.00 0.00 H new ATOM 0 HA LYS A 101 10.841 2.586 -14.466 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.177 0.368 -16.069 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.498 2.081 -16.251 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.142 2.055 -13.746 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.142 0.308 -13.881 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.681 1.932 -15.905 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.359 1.706 -14.305 1.00 0.00 H new ATOM 0 HE2 LYS A 101 16.242 -0.150 -15.359 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.759 -0.847 -14.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.287 -1.284 -17.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.726 -0.697 -16.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.914 0.344 -17.451 1.00 0.00 H new ATOM 1553 N LYS A 102 9.451 0.616 -16.726 1.00 0.00 N ATOM 1554 CA LYS A 102 8.513 0.593 -17.842 1.00 0.00 C ATOM 1555 C LYS A 102 7.109 0.969 -17.380 1.00 0.00 C ATOM 1556 O LYS A 102 6.380 1.666 -18.086 1.00 0.00 O ATOM 1557 CB LYS A 102 8.494 -0.793 -18.490 1.00 0.00 C ATOM 1558 CG LYS A 102 9.750 -1.112 -19.281 1.00 0.00 C ATOM 1559 CD LYS A 102 9.805 -2.579 -19.674 1.00 0.00 C ATOM 1560 CE LYS A 102 11.027 -2.883 -20.527 1.00 0.00 C ATOM 1561 NZ LYS A 102 10.750 -2.694 -21.978 1.00 0.00 N ATOM 0 H LYS A 102 9.781 -0.304 -16.433 1.00 0.00 H new ATOM 0 HA LYS A 102 8.843 1.327 -18.577 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.363 -1.546 -17.713 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.630 -0.864 -19.151 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.783 -0.493 -20.177 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.629 -0.860 -18.687 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.824 -3.197 -18.776 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.902 -2.843 -20.224 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.850 -2.235 -20.227 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.348 -3.909 -20.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.607 -2.911 -22.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.982 -3.331 -22.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.468 -1.708 -22.152 1.00 0.00 H new ATOM 1575 N GLN A 103 6.737 0.505 -16.192 1.00 0.00 N ATOM 1576 CA GLN A 103 5.420 0.794 -15.636 1.00 0.00 C ATOM 1577 C GLN A 103 5.234 2.294 -15.430 1.00 0.00 C ATOM 1578 O GLN A 103 4.240 2.873 -15.871 1.00 0.00 O ATOM 1579 CB GLN A 103 5.230 0.057 -14.310 1.00 0.00 C ATOM 1580 CG GLN A 103 4.683 -1.352 -14.470 1.00 0.00 C ATOM 1581 CD GLN A 103 3.170 -1.385 -14.555 1.00 0.00 C ATOM 1582 OE1 GLN A 103 2.557 -0.563 -15.236 1.00 0.00 O ATOM 1583 NE2 GLN A 103 2.558 -2.339 -13.863 1.00 0.00 N ATOM 0 H GLN A 103 7.329 -0.073 -15.595 1.00 0.00 H new ATOM 0 HA GLN A 103 4.669 0.447 -16.346 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.187 0.009 -13.790 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.552 0.631 -13.679 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.103 -1.801 -15.370 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.009 -1.962 -13.628 1.00 0.00 H new ATOM 0 HE21 GLN A 103 3.105 -3.000 -13.311 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.541 -2.411 -13.883 1.00 0.00 H new ATOM 1592 N LEU A 104 6.195 2.917 -14.757 1.00 0.00 N ATOM 1593 CA LEU A 104 6.137 4.350 -14.492 1.00 0.00 C ATOM 1594 C LEU A 104 7.223 5.092 -15.265 1.00 0.00 C ATOM 1595 O LEU A 104 8.248 5.493 -14.714 1.00 0.00 O ATOM 1596 CB LEU A 104 6.290 4.618 -12.994 1.00 0.00 C ATOM 1597 CG LEU A 104 5.388 3.797 -12.070 1.00 0.00 C ATOM 1598 CD1 LEU A 104 5.965 3.751 -10.664 1.00 0.00 C ATOM 1599 CD2 LEU A 104 3.979 4.372 -12.052 1.00 0.00 C ATOM 0 H LEU A 104 7.023 2.452 -14.385 1.00 0.00 H new ATOM 0 HA LEU A 104 5.165 4.716 -14.824 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.327 4.432 -12.716 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.096 5.675 -12.813 1.00 0.00 H new ATOM 0 HG LEU A 104 5.338 2.778 -12.453 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.310 3.163 -10.021 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.954 3.293 -10.691 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.045 4.764 -10.270 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.351 3.776 -11.390 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.010 5.401 -11.693 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.565 4.352 -13.060 1.00 0.00 H new ATOM 1611 N PRO A 105 6.994 5.280 -16.573 1.00 0.00 N ATOM 1612 CA PRO A 105 7.940 5.977 -17.450 1.00 0.00 C ATOM 1613 C PRO A 105 8.019 7.469 -17.149 1.00 0.00 C ATOM 1614 O PRO A 105 8.980 8.139 -17.526 1.00 0.00 O ATOM 1615 CB PRO A 105 7.365 5.743 -18.849 1.00 0.00 C ATOM 1616 CG PRO A 105 5.909 5.519 -18.628 1.00 0.00 C ATOM 1617 CD PRO A 105 5.794 4.828 -17.297 1.00 0.00 C ATOM 0 HA PRO A 105 8.958 5.609 -17.326 1.00 0.00 H new ATOM 0 HB2 PRO A 105 7.539 6.602 -19.497 1.00 0.00 H new ATOM 0 HB3 PRO A 105 7.830 4.882 -19.329 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.365 6.463 -18.626 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.483 4.907 -19.423 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.880 5.111 -16.775 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.776 3.744 -17.407 1.00 0.00 H new ATOM 1625 N GLY A 106 7.001 7.985 -16.466 1.00 0.00 N ATOM 1626 CA GLY A 106 6.975 9.396 -16.125 1.00 0.00 C ATOM 1627 C GLY A 106 5.805 10.123 -16.756 1.00 0.00 C ATOM 1628 O GLY A 106 4.684 10.066 -16.252 1.00 0.00 O ATOM 0 H GLY A 106 6.194 7.451 -16.143 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.924 9.504 -15.042 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.906 9.862 -16.449 1.00 0.00 H new