USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=25 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 33:sc= -0.593 USER MOD Set 1.2: A 33 CYS SG : rot -179:sc= -0.373 USER MOD Set 1.3: A 64 HIS : no HE2:sc= -5.55! C(o=-6.4!,f=-7.8!) USER MOD Set 1.4: A 67 CYS SG : rot -159:sc= 0.123 USER MOD Single : A 13 LYS NZ :NH3+ -156:sc= -0.0804 (180deg=-0.51) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.818 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.342 F(o=-1.3,f=-0.34) USER MOD Single : A 28 SER OG : rot -129:sc= 0.159 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+ -166:sc=-0.00247 (180deg=-0.136) USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= 0.467 (180deg=0.278) USER MOD Single : A 41 GLN : amide:sc= -0.0641 X(o=-0.064,f=-0.079) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= 0.0849 (180deg=0.0469) USER MOD Single : A 47 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0896) USER MOD Single : A 48 MET CE :methyl -129:sc= -0.245 (180deg=-2.07!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 175:sc= -7.79! (180deg=-8.15!) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.281 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.154 K(o=-0.15,f=-4.5!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0707 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= -0.273 X(o=-0.27,f=-0.33) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00391 USER MOD Single : A 97 LYS NZ :NH3+ -135:sc= -0.0178 (180deg=-1.02) USER MOD Single : A 101 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 GLN : amide:sc= -1.3 X(o=-1.3,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 131 N LYS A 13 17.195 14.827 -3.690 1.00 0.00 N ATOM 132 CA LYS A 13 15.927 14.929 -4.403 1.00 0.00 C ATOM 133 C LYS A 13 15.222 13.578 -4.456 1.00 0.00 C ATOM 134 O LYS A 13 15.489 12.760 -5.338 1.00 0.00 O ATOM 135 CB LYS A 13 16.157 15.453 -5.823 1.00 0.00 C ATOM 136 CG LYS A 13 16.598 16.905 -5.872 1.00 0.00 C ATOM 137 CD LYS A 13 15.463 17.845 -5.502 1.00 0.00 C ATOM 138 CE LYS A 13 15.987 19.198 -5.045 1.00 0.00 C ATOM 139 NZ LYS A 13 16.755 19.095 -3.773 1.00 0.00 N ATOM 0 HA LYS A 13 15.291 15.630 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 13 16.912 14.836 -6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 13 15.236 15.342 -6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.434 17.056 -5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.958 17.143 -6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 13 14.806 17.979 -6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.863 17.399 -4.709 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.625 19.621 -5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.151 19.884 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.746 20.014 -3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.319 18.375 -3.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 17.737 18.824 -3.981 1.00 0.00 H new ATOM 153 N THR A 14 14.319 13.348 -3.508 1.00 0.00 N ATOM 154 CA THR A 14 13.576 12.096 -3.447 1.00 0.00 C ATOM 155 C THR A 14 12.143 12.329 -2.982 1.00 0.00 C ATOM 156 O THR A 14 11.864 13.279 -2.248 1.00 0.00 O ATOM 157 CB THR A 14 14.252 11.087 -2.501 1.00 0.00 C ATOM 158 OG1 THR A 14 15.508 10.668 -3.047 1.00 0.00 O ATOM 159 CG2 THR A 14 13.362 9.874 -2.276 1.00 0.00 C ATOM 0 H THR A 14 14.085 14.013 -2.771 1.00 0.00 H new ATOM 0 HA THR A 14 13.566 11.686 -4.457 1.00 0.00 H new ATOM 0 HB THR A 14 14.418 11.578 -1.542 1.00 0.00 H new ATOM 0 HG1 THR A 14 15.932 10.028 -2.438 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.862 9.176 -1.604 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.419 10.192 -1.832 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.167 9.384 -3.230 1.00 0.00 H new ATOM 167 N LEU A 15 11.237 11.458 -3.412 1.00 0.00 N ATOM 168 CA LEU A 15 9.831 11.569 -3.039 1.00 0.00 C ATOM 169 C LEU A 15 9.570 10.898 -1.694 1.00 0.00 C ATOM 170 O LEU A 15 9.843 9.711 -1.518 1.00 0.00 O ATOM 171 CB LEU A 15 8.946 10.939 -4.116 1.00 0.00 C ATOM 172 CG LEU A 15 8.674 11.801 -5.350 1.00 0.00 C ATOM 173 CD1 LEU A 15 8.204 10.939 -6.510 1.00 0.00 C ATOM 174 CD2 LEU A 15 7.647 12.878 -5.032 1.00 0.00 C ATOM 0 H LEU A 15 11.451 10.667 -4.019 1.00 0.00 H new ATOM 0 HA LEU A 15 9.587 12.628 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.412 10.009 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.990 10.675 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 15 9.604 12.289 -5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.015 11.570 -7.379 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.973 10.206 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.286 10.422 -6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.466 13.482 -5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.715 12.410 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.024 13.515 -4.232 1.00 0.00 H new ATOM 186 N GLY A 16 9.038 11.666 -0.748 1.00 0.00 N ATOM 187 CA GLY A 16 8.747 11.128 0.568 1.00 0.00 C ATOM 188 C GLY A 16 7.427 10.384 0.611 1.00 0.00 C ATOM 189 O GLY A 16 7.362 9.249 1.083 1.00 0.00 O ATOM 0 H GLY A 16 8.803 12.651 -0.870 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.550 10.455 0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.726 11.941 1.293 1.00 0.00 H new ATOM 193 N ASP A 17 6.372 11.024 0.119 1.00 0.00 N ATOM 194 CA ASP A 17 5.047 10.416 0.103 1.00 0.00 C ATOM 195 C ASP A 17 5.109 8.993 -0.445 1.00 0.00 C ATOM 196 O ASP A 17 4.449 8.090 0.069 1.00 0.00 O ATOM 197 CB ASP A 17 4.086 11.258 -0.736 1.00 0.00 C ATOM 198 CG ASP A 17 4.606 11.506 -2.138 1.00 0.00 C ATOM 199 OD1 ASP A 17 5.826 11.727 -2.287 1.00 0.00 O ATOM 200 OD2 ASP A 17 3.794 11.481 -3.087 1.00 0.00 O ATOM 0 H ASP A 17 6.409 11.964 -0.274 1.00 0.00 H new ATOM 0 HA ASP A 17 4.680 10.375 1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.121 10.754 -0.793 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.917 12.214 -0.240 1.00 0.00 H new ATOM 205 N PHE A 18 5.904 8.802 -1.492 1.00 0.00 N ATOM 206 CA PHE A 18 6.050 7.490 -2.111 1.00 0.00 C ATOM 207 C PHE A 18 7.362 6.833 -1.692 1.00 0.00 C ATOM 208 O PHE A 18 8.397 7.493 -1.599 1.00 0.00 O ATOM 209 CB PHE A 18 5.993 7.613 -3.635 1.00 0.00 C ATOM 210 CG PHE A 18 4.699 8.183 -4.142 1.00 0.00 C ATOM 211 CD1 PHE A 18 3.501 7.523 -3.920 1.00 0.00 C ATOM 212 CD2 PHE A 18 4.681 9.379 -4.841 1.00 0.00 C ATOM 213 CE1 PHE A 18 2.309 8.045 -4.385 1.00 0.00 C ATOM 214 CE2 PHE A 18 3.491 9.906 -5.308 1.00 0.00 C ATOM 215 CZ PHE A 18 2.304 9.238 -5.081 1.00 0.00 C ATOM 0 H PHE A 18 6.457 9.539 -1.930 1.00 0.00 H new ATOM 0 HA PHE A 18 5.226 6.863 -1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.816 8.244 -3.972 1.00 0.00 H new ATOM 0 HB3 PHE A 18 6.145 6.628 -4.077 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.499 6.589 -3.377 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.606 9.905 -5.023 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.382 7.521 -4.204 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.490 10.840 -5.850 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.374 9.647 -5.447 1.00 0.00 H new ATOM 225 N ALA A 19 7.310 5.529 -1.439 1.00 0.00 N ATOM 226 CA ALA A 19 8.494 4.783 -1.031 1.00 0.00 C ATOM 227 C ALA A 19 8.366 3.308 -1.398 1.00 0.00 C ATOM 228 O ALA A 19 7.319 2.696 -1.190 1.00 0.00 O ATOM 229 CB ALA A 19 8.726 4.938 0.464 1.00 0.00 C ATOM 0 H ALA A 19 6.461 4.968 -1.509 1.00 0.00 H new ATOM 0 HA ALA A 19 9.352 5.191 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.613 4.376 0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.870 5.992 0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.861 4.558 1.008 1.00 0.00 H new ATOM 235 N ALA A 20 9.438 2.744 -1.945 1.00 0.00 N ATOM 236 CA ALA A 20 9.445 1.341 -2.340 1.00 0.00 C ATOM 237 C ALA A 20 10.376 0.525 -1.449 1.00 0.00 C ATOM 238 O ALA A 20 11.521 0.911 -1.215 1.00 0.00 O ATOM 239 CB ALA A 20 9.854 1.205 -3.799 1.00 0.00 C ATOM 0 H ALA A 20 10.313 3.237 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 20 8.435 0.950 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.855 0.152 -4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.147 1.748 -4.427 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.853 1.618 -3.937 1.00 0.00 H new ATOM 245 N GLU A 21 9.877 -0.604 -0.955 1.00 0.00 N ATOM 246 CA GLU A 21 10.666 -1.472 -0.089 1.00 0.00 C ATOM 247 C GLU A 21 10.174 -2.914 -0.171 1.00 0.00 C ATOM 248 O GLU A 21 9.274 -3.231 -0.950 1.00 0.00 O ATOM 249 CB GLU A 21 10.600 -0.981 1.358 1.00 0.00 C ATOM 250 CG GLU A 21 10.462 0.527 1.484 1.00 0.00 C ATOM 251 CD GLU A 21 10.048 0.961 2.877 1.00 0.00 C ATOM 252 OE1 GLU A 21 10.916 0.984 3.774 1.00 0.00 O ATOM 253 OE2 GLU A 21 8.855 1.277 3.069 1.00 0.00 O ATOM 0 H GLU A 21 8.931 -0.938 -1.140 1.00 0.00 H new ATOM 0 HA GLU A 21 11.701 -1.439 -0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.756 -1.457 1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.501 -1.300 1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.411 0.998 1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.726 0.882 0.763 1.00 0.00 H new ATOM 260 N TYR A 22 10.770 -3.783 0.637 1.00 0.00 N ATOM 261 CA TYR A 22 10.396 -5.193 0.654 1.00 0.00 C ATOM 262 C TYR A 22 9.396 -5.477 1.771 1.00 0.00 C ATOM 263 O TYR A 22 9.557 -5.008 2.897 1.00 0.00 O ATOM 264 CB TYR A 22 11.637 -6.070 0.829 1.00 0.00 C ATOM 265 CG TYR A 22 12.768 -5.712 -0.109 1.00 0.00 C ATOM 266 CD1 TYR A 22 12.711 -6.047 -1.456 1.00 0.00 C ATOM 267 CD2 TYR A 22 13.892 -5.039 0.353 1.00 0.00 C ATOM 268 CE1 TYR A 22 13.743 -5.723 -2.316 1.00 0.00 C ATOM 269 CE2 TYR A 22 14.928 -4.710 -0.500 1.00 0.00 C ATOM 270 CZ TYR A 22 14.849 -5.055 -1.833 1.00 0.00 C ATOM 271 OH TYR A 22 15.878 -4.729 -2.687 1.00 0.00 O ATOM 0 H TYR A 22 11.514 -3.536 1.289 1.00 0.00 H new ATOM 0 HA TYR A 22 9.925 -5.430 -0.300 1.00 0.00 H new ATOM 0 HB2 TYR A 22 11.989 -5.987 1.857 1.00 0.00 H new ATOM 0 HB3 TYR A 22 11.360 -7.112 0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 22 11.846 -6.569 -1.837 1.00 0.00 H new ATOM 0 HD2 TYR A 22 13.957 -4.768 1.397 1.00 0.00 H new ATOM 0 HE1 TYR A 22 13.684 -5.991 -3.360 1.00 0.00 H new ATOM 0 HE2 TYR A 22 15.795 -4.186 -0.125 1.00 0.00 H new ATOM 0 HH TYR A 22 16.580 -4.260 -2.189 1.00 0.00 H new ATOM 281 N ALA A 23 8.364 -6.250 1.450 1.00 0.00 N ATOM 282 CA ALA A 23 7.339 -6.600 2.426 1.00 0.00 C ATOM 283 C ALA A 23 7.916 -7.468 3.540 1.00 0.00 C ATOM 284 O ALA A 23 7.770 -8.690 3.528 1.00 0.00 O ATOM 285 CB ALA A 23 6.183 -7.315 1.743 1.00 0.00 C ATOM 0 H ALA A 23 8.215 -6.646 0.522 1.00 0.00 H new ATOM 0 HA ALA A 23 6.968 -5.678 2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.425 -7.571 2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.747 -6.662 0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.548 -8.226 1.268 1.00 0.00 H new ATOM 291 N LYS A 24 8.572 -6.828 4.502 1.00 0.00 N ATOM 292 CA LYS A 24 9.171 -7.540 5.625 1.00 0.00 C ATOM 293 C LYS A 24 8.325 -8.748 6.016 1.00 0.00 C ATOM 294 O LYS A 24 8.849 -9.841 6.228 1.00 0.00 O ATOM 295 CB LYS A 24 9.327 -6.603 6.824 1.00 0.00 C ATOM 296 CG LYS A 24 10.058 -7.233 7.997 1.00 0.00 C ATOM 297 CD LYS A 24 9.936 -6.385 9.252 1.00 0.00 C ATOM 298 CE LYS A 24 10.406 -7.141 10.485 1.00 0.00 C ATOM 299 NZ LYS A 24 11.892 -7.208 10.562 1.00 0.00 N ATOM 0 H LYS A 24 8.702 -5.817 4.527 1.00 0.00 H new ATOM 0 HA LYS A 24 10.155 -7.892 5.317 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.866 -5.709 6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.339 -6.280 7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.653 -8.227 8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.111 -7.361 7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.525 -5.475 9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.899 -6.079 9.386 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.018 -6.654 11.379 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.997 -8.151 10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.172 -7.731 11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.262 -7.695 9.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.281 -6.244 10.603 1.00 0.00 H new ATOM 313 N SER A 25 7.015 -8.542 6.109 1.00 0.00 N ATOM 314 CA SER A 25 6.098 -9.614 6.477 1.00 0.00 C ATOM 315 C SER A 25 4.863 -9.604 5.580 1.00 0.00 C ATOM 316 O SER A 25 4.508 -8.576 5.007 1.00 0.00 O ATOM 317 CB SER A 25 5.679 -9.475 7.942 1.00 0.00 C ATOM 318 OG SER A 25 4.956 -8.275 8.154 1.00 0.00 O ATOM 0 H SER A 25 6.565 -7.643 5.935 1.00 0.00 H new ATOM 0 HA SER A 25 6.616 -10.564 6.343 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.066 -10.329 8.231 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.563 -9.488 8.579 1.00 0.00 H new ATOM 0 HG SER A 25 4.698 -8.211 9.097 1.00 0.00 H new ATOM 324 N ASN A 26 4.214 -10.758 5.465 1.00 0.00 N ATOM 325 CA ASN A 26 3.019 -10.884 4.638 1.00 0.00 C ATOM 326 C ASN A 26 1.774 -10.469 5.415 1.00 0.00 C ATOM 327 O ASN A 26 0.714 -11.082 5.283 1.00 0.00 O ATOM 328 CB ASN A 26 2.868 -12.323 4.140 1.00 0.00 C ATOM 329 CG ASN A 26 3.164 -13.343 5.222 1.00 0.00 C ATOM 330 OD1 ASN A 26 2.432 -13.263 6.327 1.00 0.00 O flip ATOM 331 ND2 ASN A 26 4.040 -14.194 5.066 1.00 0.00 N flip ATOM 0 H ASN A 26 4.495 -11.619 5.934 1.00 0.00 H new ATOM 0 HA ASN A 26 3.128 -10.220 3.781 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.853 -12.472 3.771 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.540 -12.486 3.298 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.579 -14.219 4.200 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.227 -14.874 5.803 1.00 0.00 H new ATOM 338 N ARG A 27 1.909 -9.424 6.225 1.00 0.00 N ATOM 339 CA ARG A 27 0.795 -8.927 7.024 1.00 0.00 C ATOM 340 C ARG A 27 0.023 -7.850 6.269 1.00 0.00 C ATOM 341 O ARG A 27 -1.174 -7.991 6.016 1.00 0.00 O ATOM 342 CB ARG A 27 1.303 -8.368 8.354 1.00 0.00 C ATOM 343 CG ARG A 27 1.362 -9.402 9.467 1.00 0.00 C ATOM 344 CD ARG A 27 -0.025 -9.724 10.003 1.00 0.00 C ATOM 345 NE ARG A 27 -0.025 -10.924 10.835 1.00 0.00 N ATOM 346 CZ ARG A 27 -1.069 -11.318 11.555 1.00 0.00 C ATOM 347 NH1 ARG A 27 -2.191 -10.612 11.544 1.00 0.00 N ATOM 348 NH2 ARG A 27 -0.993 -12.422 12.287 1.00 0.00 N ATOM 0 H ARG A 27 2.779 -8.905 6.345 1.00 0.00 H new ATOM 0 HA ARG A 27 0.122 -9.761 7.222 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.298 -7.949 8.206 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.655 -7.548 8.665 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.830 -10.313 9.094 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.989 -9.030 10.277 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.394 -8.879 10.585 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.713 -9.861 9.169 1.00 0.00 H new ATOM 0 HE ARG A 27 0.823 -11.490 10.865 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.254 -9.764 10.981 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.991 -10.917 12.098 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.132 -12.969 12.297 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.795 -12.724 12.840 1.00 0.00 H new ATOM 362 N SER A 28 0.715 -6.772 5.913 1.00 0.00 N ATOM 363 CA SER A 28 0.093 -5.668 5.191 1.00 0.00 C ATOM 364 C SER A 28 -0.763 -6.186 4.039 1.00 0.00 C ATOM 365 O SER A 28 -0.446 -7.204 3.422 1.00 0.00 O ATOM 366 CB SER A 28 1.163 -4.714 4.657 1.00 0.00 C ATOM 367 OG SER A 28 1.758 -3.974 5.709 1.00 0.00 O ATOM 0 H SER A 28 1.706 -6.640 6.113 1.00 0.00 H new ATOM 0 HA SER A 28 -0.551 -5.129 5.885 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.929 -5.281 4.129 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.717 -4.031 3.934 1.00 0.00 H new ATOM 0 HG SER A 28 1.739 -3.019 5.489 1.00 0.00 H new ATOM 373 N THR A 29 -1.851 -5.478 3.754 1.00 0.00 N ATOM 374 CA THR A 29 -2.755 -5.865 2.678 1.00 0.00 C ATOM 375 C THR A 29 -3.127 -4.666 1.814 1.00 0.00 C ATOM 376 O THR A 29 -3.477 -3.603 2.327 1.00 0.00 O ATOM 377 CB THR A 29 -4.043 -6.506 3.229 1.00 0.00 C ATOM 378 OG1 THR A 29 -3.714 -7.563 4.137 1.00 0.00 O ATOM 379 CG2 THR A 29 -4.903 -7.051 2.099 1.00 0.00 C ATOM 0 H THR A 29 -2.128 -4.633 4.254 1.00 0.00 H new ATOM 0 HA THR A 29 -2.225 -6.598 2.069 1.00 0.00 H new ATOM 0 HB THR A 29 -4.608 -5.737 3.756 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.538 -7.964 4.484 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.807 -7.499 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.176 -6.239 1.425 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.343 -7.807 1.548 1.00 0.00 H new ATOM 387 N CYS A 30 -3.050 -4.843 0.499 1.00 0.00 N ATOM 388 CA CYS A 30 -3.379 -3.775 -0.437 1.00 0.00 C ATOM 389 C CYS A 30 -4.862 -3.422 -0.361 1.00 0.00 C ATOM 390 O CYS A 30 -5.701 -4.277 -0.074 1.00 0.00 O ATOM 391 CB CYS A 30 -3.015 -4.190 -1.864 1.00 0.00 C ATOM 392 SG CYS A 30 -3.292 -2.889 -3.110 1.00 0.00 S ATOM 0 H CYS A 30 -2.762 -5.716 0.058 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.799 -2.894 -0.162 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.966 -4.485 -1.889 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.600 -5.069 -2.136 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.068 -1.724 -2.578 1.00 0.00 H new ATOM 397 N LYS A 31 -5.178 -2.158 -0.620 1.00 0.00 N ATOM 398 CA LYS A 31 -6.558 -1.691 -0.583 1.00 0.00 C ATOM 399 C LYS A 31 -7.146 -1.617 -1.988 1.00 0.00 C ATOM 400 O LYS A 31 -8.362 -1.670 -2.167 1.00 0.00 O ATOM 401 CB LYS A 31 -6.635 -0.316 0.086 1.00 0.00 C ATOM 402 CG LYS A 31 -6.206 -0.324 1.543 1.00 0.00 C ATOM 403 CD LYS A 31 -7.380 -0.591 2.469 1.00 0.00 C ATOM 404 CE LYS A 31 -7.565 -2.079 2.720 1.00 0.00 C ATOM 405 NZ LYS A 31 -8.345 -2.340 3.961 1.00 0.00 N ATOM 0 H LYS A 31 -4.496 -1.438 -0.858 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.141 -2.405 -0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.006 0.383 -0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.658 0.055 0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.442 -1.087 1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.753 0.635 1.795 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.220 -0.078 3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.290 -0.179 2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.075 -2.530 1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.589 -2.558 2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.449 -3.366 4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.846 -1.932 4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.286 -1.905 3.878 1.00 0.00 H new ATOM 419 N GLY A 32 -6.274 -1.497 -2.984 1.00 0.00 N ATOM 420 CA GLY A 32 -6.726 -1.420 -4.361 1.00 0.00 C ATOM 421 C GLY A 32 -7.329 -2.723 -4.847 1.00 0.00 C ATOM 422 O GLY A 32 -8.353 -2.724 -5.531 1.00 0.00 O ATOM 0 H GLY A 32 -5.262 -1.452 -2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.465 -0.624 -4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.886 -1.151 -5.001 1.00 0.00 H new ATOM 426 N CYS A 33 -6.694 -3.835 -4.494 1.00 0.00 N ATOM 427 CA CYS A 33 -7.172 -5.151 -4.900 1.00 0.00 C ATOM 428 C CYS A 33 -7.724 -5.922 -3.704 1.00 0.00 C ATOM 429 O CYS A 33 -8.474 -6.884 -3.865 1.00 0.00 O ATOM 430 CB CYS A 33 -6.043 -5.947 -5.557 1.00 0.00 C ATOM 431 SG CYS A 33 -4.516 -6.028 -4.567 1.00 0.00 S ATOM 0 H CYS A 33 -5.846 -3.851 -3.927 1.00 0.00 H new ATOM 0 HA CYS A 33 -7.976 -5.011 -5.622 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -6.393 -6.961 -5.750 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.813 -5.500 -6.524 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.615 -6.707 -5.213 1.00 0.00 H new ATOM 436 N MET A 34 -7.346 -5.491 -2.504 1.00 0.00 N ATOM 437 CA MET A 34 -7.804 -6.140 -1.281 1.00 0.00 C ATOM 438 C MET A 34 -7.235 -7.551 -1.168 1.00 0.00 C ATOM 439 O MET A 34 -7.960 -8.499 -0.869 1.00 0.00 O ATOM 440 CB MET A 34 -9.333 -6.190 -1.246 1.00 0.00 C ATOM 441 CG MET A 34 -9.991 -4.843 -1.500 1.00 0.00 C ATOM 442 SD MET A 34 -10.131 -3.846 -0.004 1.00 0.00 S ATOM 443 CE MET A 34 -11.729 -3.077 -0.259 1.00 0.00 C ATOM 0 H MET A 34 -6.725 -4.696 -2.353 1.00 0.00 H new ATOM 0 HA MET A 34 -7.447 -5.554 -0.434 1.00 0.00 H new ATOM 0 HB2 MET A 34 -9.682 -6.902 -1.993 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.654 -6.564 -0.274 1.00 0.00 H new ATOM 0 HG2 MET A 34 -9.413 -4.295 -2.244 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.984 -5.001 -1.921 1.00 0.00 H new ATOM 0 HE1 MET A 34 -11.959 -2.427 0.585 1.00 0.00 H new ATOM 0 HE2 MET A 34 -11.707 -2.487 -1.175 1.00 0.00 H new ATOM 0 HE3 MET A 34 -12.495 -3.848 -0.342 1.00 0.00 H new ATOM 453 N GLU A 35 -5.934 -7.681 -1.410 1.00 0.00 N ATOM 454 CA GLU A 35 -5.270 -8.977 -1.336 1.00 0.00 C ATOM 455 C GLU A 35 -3.984 -8.883 -0.520 1.00 0.00 C ATOM 456 O GLU A 35 -3.245 -7.902 -0.613 1.00 0.00 O ATOM 457 CB GLU A 35 -4.959 -9.496 -2.741 1.00 0.00 C ATOM 458 CG GLU A 35 -3.597 -9.068 -3.261 1.00 0.00 C ATOM 459 CD GLU A 35 -3.527 -9.059 -4.775 1.00 0.00 C ATOM 460 OE1 GLU A 35 -4.137 -9.950 -5.403 1.00 0.00 O ATOM 461 OE2 GLU A 35 -2.861 -8.162 -5.333 1.00 0.00 O ATOM 0 H GLU A 35 -5.320 -6.905 -1.659 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.944 -9.675 -0.840 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.011 -10.585 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.728 -9.143 -3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.365 -8.072 -2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.835 -9.742 -2.870 1.00 0.00 H new ATOM 468 N LYS A 36 -3.722 -9.910 0.281 1.00 0.00 N ATOM 469 CA LYS A 36 -2.526 -9.946 1.114 1.00 0.00 C ATOM 470 C LYS A 36 -1.283 -9.614 0.295 1.00 0.00 C ATOM 471 O LYS A 36 -1.240 -9.855 -0.912 1.00 0.00 O ATOM 472 CB LYS A 36 -2.370 -11.325 1.759 1.00 0.00 C ATOM 473 CG LYS A 36 -1.724 -12.354 0.848 1.00 0.00 C ATOM 474 CD LYS A 36 -2.563 -12.605 -0.393 1.00 0.00 C ATOM 475 CE LYS A 36 -3.827 -13.383 -0.063 1.00 0.00 C ATOM 476 NZ LYS A 36 -3.530 -14.796 0.301 1.00 0.00 N ATOM 0 H LYS A 36 -4.323 -10.729 0.371 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.636 -9.195 1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.771 -11.227 2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.352 -11.687 2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.732 -12.010 0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.589 -13.289 1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.830 -11.653 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.975 -13.158 -1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.347 -12.897 0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.500 -13.363 -0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.410 -15.350 0.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.857 -15.197 -0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.115 -14.829 1.254 1.00 0.00 H new ATOM 490 N ILE A 37 -0.274 -9.060 0.959 1.00 0.00 N ATOM 491 CA ILE A 37 0.971 -8.697 0.292 1.00 0.00 C ATOM 492 C ILE A 37 2.085 -9.681 0.634 1.00 0.00 C ATOM 493 O ILE A 37 2.705 -9.587 1.693 1.00 0.00 O ATOM 494 CB ILE A 37 1.421 -7.275 0.676 1.00 0.00 C ATOM 495 CG1 ILE A 37 0.403 -6.244 0.185 1.00 0.00 C ATOM 496 CG2 ILE A 37 2.799 -6.983 0.101 1.00 0.00 C ATOM 497 CD1 ILE A 37 0.531 -4.898 0.863 1.00 0.00 C ATOM 0 H ILE A 37 -0.294 -8.853 1.958 1.00 0.00 H new ATOM 0 HA ILE A 37 0.777 -8.731 -0.780 1.00 0.00 H new ATOM 0 HB ILE A 37 1.480 -7.209 1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.521 -6.113 -0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.603 -6.631 0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.104 -5.975 0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.518 -7.702 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.764 -7.063 -0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.222 -4.217 0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.383 -5.016 1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.524 -4.489 0.676 1.00 0.00 H new ATOM 509 N GLU A 38 2.334 -10.623 -0.271 1.00 0.00 N ATOM 510 CA GLU A 38 3.374 -11.623 -0.064 1.00 0.00 C ATOM 511 C GLU A 38 4.594 -11.007 0.614 1.00 0.00 C ATOM 512 O GLU A 38 4.834 -9.804 0.513 1.00 0.00 O ATOM 513 CB GLU A 38 3.781 -12.250 -1.399 1.00 0.00 C ATOM 514 CG GLU A 38 2.878 -13.391 -1.837 1.00 0.00 C ATOM 515 CD GLU A 38 2.886 -13.598 -3.339 1.00 0.00 C ATOM 516 OE1 GLU A 38 2.758 -12.599 -4.077 1.00 0.00 O ATOM 517 OE2 GLU A 38 3.021 -14.760 -3.776 1.00 0.00 O ATOM 0 H GLU A 38 1.830 -10.714 -1.153 1.00 0.00 H new ATOM 0 HA GLU A 38 2.972 -12.399 0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.777 -11.479 -2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.804 -12.617 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.196 -14.310 -1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.859 -13.190 -1.507 1.00 0.00 H new ATOM 524 N LYS A 39 5.362 -11.841 1.307 1.00 0.00 N ATOM 525 CA LYS A 39 6.559 -11.381 2.003 1.00 0.00 C ATOM 526 C LYS A 39 7.728 -11.233 1.034 1.00 0.00 C ATOM 527 O LYS A 39 7.947 -12.086 0.175 1.00 0.00 O ATOM 528 CB LYS A 39 6.930 -12.357 3.122 1.00 0.00 C ATOM 529 CG LYS A 39 8.251 -12.033 3.798 1.00 0.00 C ATOM 530 CD LYS A 39 8.909 -13.281 4.363 1.00 0.00 C ATOM 531 CE LYS A 39 10.153 -12.939 5.168 1.00 0.00 C ATOM 532 NZ LYS A 39 9.833 -12.680 6.599 1.00 0.00 N ATOM 0 H LYS A 39 5.177 -12.840 1.402 1.00 0.00 H new ATOM 0 HA LYS A 39 6.344 -10.405 2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.138 -12.356 3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.979 -13.366 2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.922 -11.560 3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.084 -11.314 4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.199 -13.813 4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.175 -13.954 3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.868 -13.759 5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.633 -12.060 4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.701 -12.752 7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.433 -11.725 6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.141 -13.381 6.932 1.00 0.00 H new ATOM 546 N GLY A 40 8.478 -10.145 1.180 1.00 0.00 N ATOM 547 CA GLY A 40 9.616 -9.906 0.313 1.00 0.00 C ATOM 548 C GLY A 40 9.233 -9.176 -0.959 1.00 0.00 C ATOM 549 O GLY A 40 10.009 -8.376 -1.480 1.00 0.00 O ATOM 0 H GLY A 40 8.317 -9.425 1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.363 -9.323 0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.079 -10.859 0.056 1.00 0.00 H new ATOM 553 N GLN A 41 8.034 -9.453 -1.460 1.00 0.00 N ATOM 554 CA GLN A 41 7.551 -8.818 -2.681 1.00 0.00 C ATOM 555 C GLN A 41 7.596 -7.298 -2.558 1.00 0.00 C ATOM 556 O GLN A 41 7.204 -6.735 -1.536 1.00 0.00 O ATOM 557 CB GLN A 41 6.123 -9.274 -2.988 1.00 0.00 C ATOM 558 CG GLN A 41 6.053 -10.616 -3.699 1.00 0.00 C ATOM 559 CD GLN A 41 6.496 -10.533 -5.146 1.00 0.00 C ATOM 560 OE1 GLN A 41 7.641 -10.841 -5.476 1.00 0.00 O ATOM 561 NE2 GLN A 41 5.587 -10.117 -6.020 1.00 0.00 N ATOM 0 H GLN A 41 7.379 -10.113 -1.040 1.00 0.00 H new ATOM 0 HA GLN A 41 8.205 -9.118 -3.500 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.562 -9.336 -2.056 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.634 -8.520 -3.604 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.680 -11.335 -3.172 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.031 -10.992 -3.657 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.649 -9.872 -5.703 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.827 -10.043 -7.009 1.00 0.00 H new ATOM 570 N VAL A 42 8.078 -6.639 -3.607 1.00 0.00 N ATOM 571 CA VAL A 42 8.175 -5.184 -3.617 1.00 0.00 C ATOM 572 C VAL A 42 6.833 -4.542 -3.281 1.00 0.00 C ATOM 573 O VAL A 42 5.784 -4.999 -3.736 1.00 0.00 O ATOM 574 CB VAL A 42 8.653 -4.663 -4.985 1.00 0.00 C ATOM 575 CG1 VAL A 42 8.417 -3.164 -5.098 1.00 0.00 C ATOM 576 CG2 VAL A 42 10.122 -4.997 -5.198 1.00 0.00 C ATOM 0 H VAL A 42 8.407 -7.090 -4.461 1.00 0.00 H new ATOM 0 HA VAL A 42 8.906 -4.910 -2.857 1.00 0.00 H new ATOM 0 HB VAL A 42 8.074 -5.157 -5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.761 -2.814 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.353 -2.954 -4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.968 -2.649 -4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.443 -4.622 -6.170 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.718 -4.531 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.258 -6.078 -5.164 1.00 0.00 H new ATOM 586 N ARG A 43 6.875 -3.480 -2.484 1.00 0.00 N ATOM 587 CA ARG A 43 5.662 -2.775 -2.086 1.00 0.00 C ATOM 588 C ARG A 43 5.854 -1.265 -2.183 1.00 0.00 C ATOM 589 O ARG A 43 6.983 -0.773 -2.219 1.00 0.00 O ATOM 590 CB ARG A 43 5.268 -3.159 -0.659 1.00 0.00 C ATOM 591 CG ARG A 43 6.338 -2.844 0.374 1.00 0.00 C ATOM 592 CD ARG A 43 5.944 -3.345 1.755 1.00 0.00 C ATOM 593 NE ARG A 43 6.908 -2.947 2.777 1.00 0.00 N ATOM 594 CZ ARG A 43 6.694 -3.081 4.081 1.00 0.00 C ATOM 595 NH1 ARG A 43 5.555 -3.600 4.519 1.00 0.00 N ATOM 596 NH2 ARG A 43 7.619 -2.695 4.950 1.00 0.00 N ATOM 0 H ARG A 43 7.735 -3.089 -2.101 1.00 0.00 H new ATOM 0 HA ARG A 43 4.863 -3.067 -2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.351 -2.635 -0.391 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.047 -4.226 -0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.280 -3.303 0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.505 -1.767 0.410 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.959 -2.956 2.014 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.863 -4.432 1.737 1.00 0.00 H new ATOM 0 HE ARG A 43 7.794 -2.544 2.473 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.841 -3.897 3.854 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.393 -3.702 5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.496 -2.295 4.617 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.453 -2.799 5.951 1.00 0.00 H new ATOM 610 N LEU A 44 4.746 -0.534 -2.227 1.00 0.00 N ATOM 611 CA LEU A 44 4.792 0.921 -2.321 1.00 0.00 C ATOM 612 C LEU A 44 3.872 1.563 -1.288 1.00 0.00 C ATOM 613 O LEU A 44 2.717 1.163 -1.136 1.00 0.00 O ATOM 614 CB LEU A 44 4.394 1.374 -3.727 1.00 0.00 C ATOM 615 CG LEU A 44 5.338 0.964 -4.857 1.00 0.00 C ATOM 616 CD1 LEU A 44 4.570 0.793 -6.159 1.00 0.00 C ATOM 617 CD2 LEU A 44 6.450 1.989 -5.022 1.00 0.00 C ATOM 0 H LEU A 44 3.804 -0.925 -2.199 1.00 0.00 H new ATOM 0 HA LEU A 44 5.814 1.241 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.403 0.978 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.311 2.461 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 44 5.790 0.007 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.259 0.501 -6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.811 0.021 -6.035 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.089 1.735 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.112 1.680 -5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.017 2.961 -5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.019 2.061 -4.095 1.00 0.00 H new ATOM 629 N SER A 45 4.390 2.562 -0.581 1.00 0.00 N ATOM 630 CA SER A 45 3.615 3.259 0.440 1.00 0.00 C ATOM 631 C SER A 45 3.254 4.668 -0.020 1.00 0.00 C ATOM 632 O SER A 45 3.970 5.277 -0.815 1.00 0.00 O ATOM 633 CB SER A 45 4.401 3.324 1.751 1.00 0.00 C ATOM 634 OG SER A 45 5.379 4.348 1.709 1.00 0.00 O ATOM 0 H SER A 45 5.343 2.907 -0.696 1.00 0.00 H new ATOM 0 HA SER A 45 2.693 2.702 0.605 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.717 3.504 2.580 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.883 2.364 1.938 1.00 0.00 H new ATOM 0 HG SER A 45 5.866 4.370 2.559 1.00 0.00 H new ATOM 640 N LYS A 46 2.137 5.180 0.486 1.00 0.00 N ATOM 641 CA LYS A 46 1.679 6.518 0.129 1.00 0.00 C ATOM 642 C LYS A 46 1.164 7.262 1.358 1.00 0.00 C ATOM 643 O LYS A 46 0.133 6.903 1.927 1.00 0.00 O ATOM 644 CB LYS A 46 0.576 6.436 -0.929 1.00 0.00 C ATOM 645 CG LYS A 46 0.092 7.794 -1.409 1.00 0.00 C ATOM 646 CD LYS A 46 -1.227 7.684 -2.154 1.00 0.00 C ATOM 647 CE LYS A 46 -1.550 8.964 -2.909 1.00 0.00 C ATOM 648 NZ LYS A 46 -2.018 10.043 -1.995 1.00 0.00 N ATOM 0 H LYS A 46 1.532 4.689 1.144 1.00 0.00 H new ATOM 0 HA LYS A 46 2.526 7.069 -0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.945 5.868 -1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.269 5.882 -0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.026 8.462 -0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.843 8.239 -2.061 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.182 6.849 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.028 7.465 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.664 9.302 -3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.318 8.762 -3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.449 10.808 -2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.722 9.657 -1.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.210 10.419 -1.459 1.00 0.00 H new ATOM 662 N LYS A 47 1.888 8.300 1.761 1.00 0.00 N ATOM 663 CA LYS A 47 1.504 9.097 2.920 1.00 0.00 C ATOM 664 C LYS A 47 0.333 10.015 2.586 1.00 0.00 C ATOM 665 O LYS A 47 0.459 10.924 1.766 1.00 0.00 O ATOM 666 CB LYS A 47 2.693 9.928 3.410 1.00 0.00 C ATOM 667 CG LYS A 47 2.615 10.290 4.883 1.00 0.00 C ATOM 668 CD LYS A 47 3.535 11.452 5.220 1.00 0.00 C ATOM 669 CE LYS A 47 4.918 10.968 5.629 1.00 0.00 C ATOM 670 NZ LYS A 47 5.830 10.845 4.458 1.00 0.00 N ATOM 0 H LYS A 47 2.745 8.609 1.302 1.00 0.00 H new ATOM 0 HA LYS A 47 1.194 8.415 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.613 9.372 3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.753 10.844 2.822 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.589 10.551 5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.885 9.424 5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.620 12.112 4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.100 12.039 6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.347 11.662 6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.833 10.002 6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.467 10.035 4.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.269 10.699 3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.392 11.715 4.363 1.00 0.00 H new ATOM 684 N MET A 48 -0.806 9.770 3.226 1.00 0.00 N ATOM 685 CA MET A 48 -1.999 10.577 2.997 1.00 0.00 C ATOM 686 C MET A 48 -3.029 10.349 4.099 1.00 0.00 C ATOM 687 O MET A 48 -2.968 9.356 4.824 1.00 0.00 O ATOM 688 CB MET A 48 -2.611 10.246 1.635 1.00 0.00 C ATOM 689 CG MET A 48 -3.116 8.817 1.527 1.00 0.00 C ATOM 690 SD MET A 48 -4.485 8.650 0.365 1.00 0.00 S ATOM 691 CE MET A 48 -5.887 8.769 1.474 1.00 0.00 C ATOM 0 H MET A 48 -0.928 9.020 3.906 1.00 0.00 H new ATOM 0 HA MET A 48 -1.705 11.627 3.010 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.437 10.930 1.441 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.865 10.419 0.859 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.297 8.169 1.213 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.436 8.473 2.511 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.562 7.932 1.298 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.538 8.743 2.506 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.415 9.705 1.294 1.00 0.00 H new ATOM 701 N VAL A 49 -3.974 11.276 4.221 1.00 0.00 N ATOM 702 CA VAL A 49 -5.017 11.176 5.234 1.00 0.00 C ATOM 703 C VAL A 49 -6.236 10.433 4.697 1.00 0.00 C ATOM 704 O VAL A 49 -6.721 10.725 3.604 1.00 0.00 O ATOM 705 CB VAL A 49 -5.455 12.567 5.730 1.00 0.00 C ATOM 706 CG1 VAL A 49 -6.635 12.448 6.682 1.00 0.00 C ATOM 707 CG2 VAL A 49 -4.291 13.285 6.396 1.00 0.00 C ATOM 0 H VAL A 49 -4.038 12.105 3.630 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.593 10.618 6.069 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.772 13.157 4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.930 13.441 7.022 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.472 11.977 6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.350 11.841 7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.618 14.266 6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.941 12.700 7.246 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.479 13.404 5.679 1.00 0.00 H new ATOM 717 N ASP A 50 -6.726 9.473 5.473 1.00 0.00 N ATOM 718 CA ASP A 50 -7.890 8.689 5.076 1.00 0.00 C ATOM 719 C ASP A 50 -9.172 9.500 5.234 1.00 0.00 C ATOM 720 O ASP A 50 -9.458 10.054 6.296 1.00 0.00 O ATOM 721 CB ASP A 50 -7.976 7.408 5.907 1.00 0.00 C ATOM 722 CG ASP A 50 -8.619 6.265 5.146 1.00 0.00 C ATOM 723 OD1 ASP A 50 -8.032 5.820 4.137 1.00 0.00 O ATOM 724 OD2 ASP A 50 -9.708 5.816 5.558 1.00 0.00 O ATOM 0 H ASP A 50 -6.336 9.219 6.380 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.777 8.424 4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.974 7.114 6.220 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.549 7.604 6.814 1.00 0.00 H new ATOM 729 N PRO A 51 -9.962 9.575 4.153 1.00 0.00 N ATOM 730 CA PRO A 51 -11.226 10.318 4.146 1.00 0.00 C ATOM 731 C PRO A 51 -12.296 9.649 5.003 1.00 0.00 C ATOM 732 O PRO A 51 -13.290 10.274 5.370 1.00 0.00 O ATOM 733 CB PRO A 51 -11.637 10.305 2.672 1.00 0.00 C ATOM 734 CG PRO A 51 -10.978 9.096 2.105 1.00 0.00 C ATOM 735 CD PRO A 51 -9.683 8.941 2.854 1.00 0.00 C ATOM 0 HA PRO A 51 -11.113 11.319 4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.720 10.253 2.564 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.309 11.211 2.162 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.608 8.215 2.227 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.799 9.214 1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.409 7.892 2.969 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.858 9.431 2.337 1.00 0.00 H new ATOM 743 N GLU A 52 -12.084 8.375 5.318 1.00 0.00 N ATOM 744 CA GLU A 52 -13.031 7.622 6.132 1.00 0.00 C ATOM 745 C GLU A 52 -12.809 7.894 7.617 1.00 0.00 C ATOM 746 O GLU A 52 -13.760 7.972 8.395 1.00 0.00 O ATOM 747 CB GLU A 52 -12.901 6.124 5.851 1.00 0.00 C ATOM 748 CG GLU A 52 -13.352 5.725 4.456 1.00 0.00 C ATOM 749 CD GLU A 52 -13.179 4.242 4.189 1.00 0.00 C ATOM 750 OE1 GLU A 52 -12.020 3.781 4.132 1.00 0.00 O ATOM 751 OE2 GLU A 52 -14.203 3.543 4.036 1.00 0.00 O ATOM 0 H GLU A 52 -11.265 7.843 5.022 1.00 0.00 H new ATOM 0 HA GLU A 52 -14.037 7.947 5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.861 5.826 5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.489 5.573 6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.400 5.994 4.326 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.784 6.292 3.718 1.00 0.00 H new ATOM 758 N LYS A 53 -11.546 8.036 8.003 1.00 0.00 N ATOM 759 CA LYS A 53 -11.195 8.299 9.394 1.00 0.00 C ATOM 760 C LYS A 53 -10.300 9.529 9.506 1.00 0.00 C ATOM 761 O LYS A 53 -9.080 9.429 9.632 1.00 0.00 O ATOM 762 CB LYS A 53 -10.490 7.085 10.003 1.00 0.00 C ATOM 763 CG LYS A 53 -11.437 5.962 10.389 1.00 0.00 C ATOM 764 CD LYS A 53 -11.977 6.147 11.797 1.00 0.00 C ATOM 765 CE LYS A 53 -11.029 5.570 12.838 1.00 0.00 C ATOM 766 NZ LYS A 53 -11.562 5.726 14.220 1.00 0.00 N ATOM 0 H LYS A 53 -10.747 7.973 7.372 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.116 8.490 9.945 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.760 6.704 9.289 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.937 7.402 10.887 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.266 5.925 9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.917 5.007 10.320 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.131 7.208 11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.950 5.663 11.881 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.861 4.513 12.630 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.062 6.067 12.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.888 5.321 14.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.698 6.736 14.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.473 5.230 14.299 1.00 0.00 H new ATOM 780 N PRO A 54 -10.919 10.718 9.462 1.00 0.00 N ATOM 781 CA PRO A 54 -10.197 11.990 9.560 1.00 0.00 C ATOM 782 C PRO A 54 -9.627 12.229 10.954 1.00 0.00 C ATOM 783 O PRO A 54 -8.990 13.250 11.207 1.00 0.00 O ATOM 784 CB PRO A 54 -11.270 13.033 9.235 1.00 0.00 C ATOM 785 CG PRO A 54 -12.557 12.378 9.599 1.00 0.00 C ATOM 786 CD PRO A 54 -12.371 10.913 9.315 1.00 0.00 C ATOM 0 HA PRO A 54 -9.336 12.021 8.893 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.117 13.949 9.805 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.249 13.307 8.180 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.796 12.545 10.649 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.382 12.787 9.015 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.932 10.294 10.015 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.712 10.652 8.313 1.00 0.00 H new ATOM 794 N GLN A 55 -9.861 11.279 11.854 1.00 0.00 N ATOM 795 CA GLN A 55 -9.371 11.387 13.223 1.00 0.00 C ATOM 796 C GLN A 55 -7.934 10.886 13.327 1.00 0.00 C ATOM 797 O GLN A 55 -7.080 11.538 13.931 1.00 0.00 O ATOM 798 CB GLN A 55 -10.270 10.594 14.173 1.00 0.00 C ATOM 799 CG GLN A 55 -9.521 9.969 15.339 1.00 0.00 C ATOM 800 CD GLN A 55 -10.361 9.891 16.598 1.00 0.00 C ATOM 801 OE1 GLN A 55 -11.172 8.979 16.762 1.00 0.00 O ATOM 802 NE2 GLN A 55 -10.172 10.851 17.496 1.00 0.00 N ATOM 0 H GLN A 55 -10.386 10.427 11.660 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.392 12.439 13.508 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.045 11.254 14.562 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.773 9.807 13.611 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.196 8.966 15.061 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.622 10.551 15.542 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.489 11.588 17.319 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.710 10.852 18.363 1.00 0.00 H new ATOM 811 N LEU A 56 -7.672 9.726 12.736 1.00 0.00 N ATOM 812 CA LEU A 56 -6.338 9.137 12.762 1.00 0.00 C ATOM 813 C LEU A 56 -5.290 10.141 12.293 1.00 0.00 C ATOM 814 O LEU A 56 -4.309 10.401 12.989 1.00 0.00 O ATOM 815 CB LEU A 56 -6.293 7.887 11.882 1.00 0.00 C ATOM 816 CG LEU A 56 -7.124 6.697 12.363 1.00 0.00 C ATOM 817 CD1 LEU A 56 -7.086 5.572 11.340 1.00 0.00 C ATOM 818 CD2 LEU A 56 -6.623 6.209 13.714 1.00 0.00 C ATOM 0 H LEU A 56 -8.366 9.174 12.232 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.112 8.857 13.791 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.630 8.159 10.882 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.255 7.567 11.793 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.158 7.022 12.477 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.683 4.733 11.699 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.492 5.927 10.393 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.056 5.248 11.194 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.226 5.362 14.041 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.581 5.901 13.626 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.703 7.014 14.444 1.00 0.00 H new ATOM 830 N GLY A 57 -5.507 10.705 11.109 1.00 0.00 N ATOM 831 CA GLY A 57 -4.574 11.677 10.568 1.00 0.00 C ATOM 832 C GLY A 57 -3.664 11.081 9.511 1.00 0.00 C ATOM 833 O GLY A 57 -4.112 10.319 8.656 1.00 0.00 O ATOM 0 H GLY A 57 -6.312 10.507 10.515 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.130 12.509 10.137 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.968 12.084 11.377 1.00 0.00 H new ATOM 837 N MET A 58 -2.383 11.431 9.570 1.00 0.00 N ATOM 838 CA MET A 58 -1.409 10.926 8.610 1.00 0.00 C ATOM 839 C MET A 58 -1.188 9.428 8.797 1.00 0.00 C ATOM 840 O MET A 58 -0.740 8.984 9.854 1.00 0.00 O ATOM 841 CB MET A 58 -0.081 11.671 8.759 1.00 0.00 C ATOM 842 CG MET A 58 -0.059 13.019 8.057 1.00 0.00 C ATOM 843 SD MET A 58 0.569 12.914 6.370 1.00 0.00 S ATOM 844 CE MET A 58 -0.474 11.621 5.700 1.00 0.00 C ATOM 0 H MET A 58 -1.996 12.062 10.272 1.00 0.00 H new ATOM 0 HA MET A 58 -1.802 11.095 7.608 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.126 11.819 9.819 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.721 11.050 8.361 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.068 13.432 8.040 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.559 13.712 8.628 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.268 11.502 4.636 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.269 10.684 6.217 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.521 11.890 5.838 1.00 0.00 H new ATOM 854 N ILE A 59 -1.506 8.654 7.764 1.00 0.00 N ATOM 855 CA ILE A 59 -1.341 7.207 7.815 1.00 0.00 C ATOM 856 C ILE A 59 -0.460 6.713 6.672 1.00 0.00 C ATOM 857 O ILE A 59 -0.147 7.464 5.747 1.00 0.00 O ATOM 858 CB ILE A 59 -2.699 6.483 7.751 1.00 0.00 C ATOM 859 CG1 ILE A 59 -3.406 6.795 6.430 1.00 0.00 C ATOM 860 CG2 ILE A 59 -3.570 6.885 8.932 1.00 0.00 C ATOM 861 CD1 ILE A 59 -4.377 5.720 5.996 1.00 0.00 C ATOM 0 H ILE A 59 -1.879 9.005 6.882 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.860 6.978 8.766 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.524 5.408 7.803 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.942 7.739 6.528 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.657 6.933 5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.526 6.365 8.873 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.068 6.617 9.862 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.740 7.961 8.909 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.841 6.008 5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.843 4.779 5.865 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.148 5.597 6.757 1.00 0.00 H new ATOM 873 N ASP A 60 -0.065 5.447 6.742 1.00 0.00 N ATOM 874 CA ASP A 60 0.777 4.851 5.711 1.00 0.00 C ATOM 875 C ASP A 60 0.098 3.635 5.089 1.00 0.00 C ATOM 876 O ASP A 60 -0.065 2.602 5.739 1.00 0.00 O ATOM 877 CB ASP A 60 2.131 4.449 6.299 1.00 0.00 C ATOM 878 CG ASP A 60 2.981 5.649 6.669 1.00 0.00 C ATOM 879 OD1 ASP A 60 2.450 6.573 7.320 1.00 0.00 O ATOM 880 OD2 ASP A 60 4.176 5.664 6.308 1.00 0.00 O ATOM 0 H ASP A 60 -0.314 4.813 7.502 1.00 0.00 H new ATOM 0 HA ASP A 60 0.934 5.595 4.930 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.971 3.834 7.185 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.669 3.835 5.577 1.00 0.00 H new ATOM 885 N ARG A 61 -0.299 3.766 3.828 1.00 0.00 N ATOM 886 CA ARG A 61 -0.963 2.679 3.119 1.00 0.00 C ATOM 887 C ARG A 61 0.037 1.881 2.287 1.00 0.00 C ATOM 888 O ARG A 61 1.205 2.253 2.179 1.00 0.00 O ATOM 889 CB ARG A 61 -2.068 3.231 2.216 1.00 0.00 C ATOM 890 CG ARG A 61 -3.351 3.568 2.960 1.00 0.00 C ATOM 891 CD ARG A 61 -4.296 2.377 3.008 1.00 0.00 C ATOM 892 NE ARG A 61 -4.040 1.521 4.163 1.00 0.00 N ATOM 893 CZ ARG A 61 -4.474 1.793 5.389 1.00 0.00 C ATOM 894 NH1 ARG A 61 -5.182 2.890 5.617 1.00 0.00 N ATOM 895 NH2 ARG A 61 -4.201 0.965 6.389 1.00 0.00 N ATOM 0 H ARG A 61 -0.172 4.614 3.276 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.406 2.013 3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.702 4.127 1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.290 2.500 1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.112 3.885 3.975 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.846 4.407 2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.326 2.733 3.042 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.190 1.793 2.094 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.499 0.668 4.021 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.395 3.528 4.850 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.514 3.096 6.559 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.658 0.119 6.217 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.534 1.174 7.330 1.00 0.00 H new ATOM 909 N TRP A 62 -0.430 0.784 1.702 1.00 0.00 N ATOM 910 CA TRP A 62 0.423 -0.066 0.881 1.00 0.00 C ATOM 911 C TRP A 62 -0.316 -0.535 -0.368 1.00 0.00 C ATOM 912 O TRP A 62 -1.528 -0.750 -0.339 1.00 0.00 O ATOM 913 CB TRP A 62 0.903 -1.274 1.688 1.00 0.00 C ATOM 914 CG TRP A 62 1.744 -0.901 2.871 1.00 0.00 C ATOM 915 CD1 TRP A 62 1.353 -0.876 4.179 1.00 0.00 C ATOM 916 CD2 TRP A 62 3.118 -0.498 2.853 1.00 0.00 C ATOM 917 NE1 TRP A 62 2.402 -0.481 4.976 1.00 0.00 N ATOM 918 CE2 TRP A 62 3.496 -0.245 4.186 1.00 0.00 C ATOM 919 CE3 TRP A 62 4.067 -0.329 1.841 1.00 0.00 C ATOM 920 CZ2 TRP A 62 4.780 0.169 4.530 1.00 0.00 C ATOM 921 CZ3 TRP A 62 5.341 0.082 2.184 1.00 0.00 C ATOM 922 CH2 TRP A 62 5.688 0.327 3.519 1.00 0.00 C ATOM 0 H TRP A 62 -1.395 0.463 1.781 1.00 0.00 H new ATOM 0 HA TRP A 62 1.287 0.521 0.570 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.037 -1.840 2.031 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.477 -1.933 1.036 1.00 0.00 H new ATOM 0 HD1 TRP A 62 0.365 -1.129 4.535 1.00 0.00 H new ATOM 0 HE1 TRP A 62 2.371 -0.380 5.991 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.809 -0.516 0.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 5.050 0.359 5.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 6.082 0.217 1.410 1.00 0.00 H new ATOM 0 HH2 TRP A 62 6.692 0.647 3.755 1.00 0.00 H new ATOM 933 N TYR A 63 0.421 -0.692 -1.462 1.00 0.00 N ATOM 934 CA TYR A 63 -0.166 -1.133 -2.722 1.00 0.00 C ATOM 935 C TYR A 63 0.891 -1.765 -3.623 1.00 0.00 C ATOM 936 O TYR A 63 2.023 -1.286 -3.702 1.00 0.00 O ATOM 937 CB TYR A 63 -0.828 0.043 -3.440 1.00 0.00 C ATOM 938 CG TYR A 63 -1.675 0.907 -2.533 1.00 0.00 C ATOM 939 CD1 TYR A 63 -1.090 1.831 -1.676 1.00 0.00 C ATOM 940 CD2 TYR A 63 -3.060 0.799 -2.533 1.00 0.00 C ATOM 941 CE1 TYR A 63 -1.860 2.622 -0.845 1.00 0.00 C ATOM 942 CE2 TYR A 63 -3.838 1.587 -1.707 1.00 0.00 C ATOM 943 CZ TYR A 63 -3.233 2.497 -0.864 1.00 0.00 C ATOM 944 OH TYR A 63 -4.004 3.282 -0.039 1.00 0.00 O ATOM 0 H TYR A 63 1.426 -0.521 -1.502 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.923 -1.885 -2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.055 0.660 -3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.451 -0.340 -4.249 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.015 1.933 -1.659 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.537 0.087 -3.190 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.389 3.334 -0.184 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.914 1.491 -1.721 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.951 3.070 -0.177 1.00 0.00 H new ATOM 954 N HIS A 64 0.512 -2.842 -4.303 1.00 0.00 N ATOM 955 CA HIS A 64 1.425 -3.540 -5.201 1.00 0.00 C ATOM 956 C HIS A 64 1.749 -2.683 -6.421 1.00 0.00 C ATOM 957 O HIS A 64 0.954 -1.846 -6.850 1.00 0.00 O ATOM 958 CB HIS A 64 0.820 -4.872 -5.645 1.00 0.00 C ATOM 959 CG HIS A 64 0.238 -5.670 -4.519 1.00 0.00 C ATOM 960 ND1 HIS A 64 -1.068 -5.536 -4.097 1.00 0.00 N ATOM 961 CD2 HIS A 64 0.792 -6.618 -3.727 1.00 0.00 C ATOM 962 CE1 HIS A 64 -1.291 -6.366 -3.094 1.00 0.00 C ATOM 963 NE2 HIS A 64 -0.179 -7.034 -2.850 1.00 0.00 N ATOM 0 H HIS A 64 -0.421 -3.250 -4.249 1.00 0.00 H new ATOM 0 HA HIS A 64 2.350 -3.733 -4.659 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.042 -4.680 -6.384 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.590 -5.464 -6.140 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -1.754 -4.896 -4.497 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.808 -6.980 -3.776 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.225 -6.479 -2.563 1.00 0.00 H new ATOM 971 N PRO A 65 2.943 -2.893 -6.993 1.00 0.00 N ATOM 972 CA PRO A 65 3.399 -2.149 -8.171 1.00 0.00 C ATOM 973 C PRO A 65 2.342 -2.097 -9.268 1.00 0.00 C ATOM 974 O PRO A 65 2.156 -1.068 -9.917 1.00 0.00 O ATOM 975 CB PRO A 65 4.620 -2.943 -8.642 1.00 0.00 C ATOM 976 CG PRO A 65 5.126 -3.622 -7.416 1.00 0.00 C ATOM 977 CD PRO A 65 3.941 -3.874 -6.534 1.00 0.00 C ATOM 0 HA PRO A 65 3.616 -1.107 -7.936 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.349 -3.666 -9.412 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.377 -2.287 -9.072 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.623 -4.558 -7.671 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.861 -2.999 -6.906 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.575 -4.895 -6.639 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.188 -3.730 -5.482 1.00 0.00 H new ATOM 985 N GLY A 66 1.650 -3.215 -9.471 1.00 0.00 N ATOM 986 CA GLY A 66 0.620 -3.275 -10.491 1.00 0.00 C ATOM 987 C GLY A 66 -0.560 -2.376 -10.177 1.00 0.00 C ATOM 988 O GLY A 66 -1.086 -1.698 -11.061 1.00 0.00 O ATOM 0 H GLY A 66 1.785 -4.080 -8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.047 -2.987 -11.452 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.273 -4.303 -10.592 1.00 0.00 H new ATOM 992 N CYS A 67 -0.978 -2.369 -8.916 1.00 0.00 N ATOM 993 CA CYS A 67 -2.104 -1.549 -8.487 1.00 0.00 C ATOM 994 C CYS A 67 -1.746 -0.066 -8.535 1.00 0.00 C ATOM 995 O CYS A 67 -2.532 0.759 -9.001 1.00 0.00 O ATOM 996 CB CYS A 67 -2.534 -1.936 -7.071 1.00 0.00 C ATOM 997 SG CYS A 67 -2.781 -3.725 -6.832 1.00 0.00 S ATOM 0 H CYS A 67 -0.553 -2.923 -8.172 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.933 -1.727 -9.172 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.780 -1.587 -6.366 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.461 -1.417 -6.830 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.538 -3.924 -5.794 1.00 0.00 H new ATOM 1002 N PHE A 68 -0.554 0.265 -8.049 1.00 0.00 N ATOM 1003 CA PHE A 68 -0.092 1.648 -8.035 1.00 0.00 C ATOM 1004 C PHE A 68 -0.342 2.318 -9.382 1.00 0.00 C ATOM 1005 O PHE A 68 -0.644 3.510 -9.449 1.00 0.00 O ATOM 1006 CB PHE A 68 1.398 1.706 -7.692 1.00 0.00 C ATOM 1007 CG PHE A 68 1.878 3.083 -7.335 1.00 0.00 C ATOM 1008 CD1 PHE A 68 1.361 3.748 -6.235 1.00 0.00 C ATOM 1009 CD2 PHE A 68 2.846 3.714 -8.099 1.00 0.00 C ATOM 1010 CE1 PHE A 68 1.800 5.016 -5.904 1.00 0.00 C ATOM 1011 CE2 PHE A 68 3.290 4.982 -7.774 1.00 0.00 C ATOM 1012 CZ PHE A 68 2.767 5.633 -6.674 1.00 0.00 C ATOM 0 H PHE A 68 0.109 -0.405 -7.660 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.655 2.186 -7.272 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.597 1.033 -6.858 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.973 1.339 -8.542 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.606 3.270 -5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.259 3.209 -8.960 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.388 5.524 -5.045 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.044 5.463 -8.379 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.113 6.623 -6.416 1.00 0.00 H new ATOM 1022 N VAL A 69 -0.213 1.544 -10.455 1.00 0.00 N ATOM 1023 CA VAL A 69 -0.426 2.062 -11.801 1.00 0.00 C ATOM 1024 C VAL A 69 -1.912 2.213 -12.104 1.00 0.00 C ATOM 1025 O VAL A 69 -2.331 3.172 -12.753 1.00 0.00 O ATOM 1026 CB VAL A 69 0.212 1.145 -12.862 1.00 0.00 C ATOM 1027 CG1 VAL A 69 0.008 1.719 -14.256 1.00 0.00 C ATOM 1028 CG2 VAL A 69 1.691 0.943 -12.571 1.00 0.00 C ATOM 0 H VAL A 69 0.038 0.556 -10.418 1.00 0.00 H new ATOM 0 HA VAL A 69 0.051 3.041 -11.842 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.279 0.173 -12.820 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.465 1.058 -14.992 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.059 1.807 -14.461 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.471 2.704 -14.315 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.126 0.293 -13.330 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.199 1.907 -12.585 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.809 0.484 -11.589 1.00 0.00 H new ATOM 1038 N LYS A 70 -2.707 1.260 -11.629 1.00 0.00 N ATOM 1039 CA LYS A 70 -4.149 1.287 -11.846 1.00 0.00 C ATOM 1040 C LYS A 70 -4.749 2.600 -11.353 1.00 0.00 C ATOM 1041 O LYS A 70 -5.504 3.255 -12.069 1.00 0.00 O ATOM 1042 CB LYS A 70 -4.815 0.109 -11.132 1.00 0.00 C ATOM 1043 CG LYS A 70 -4.241 -1.242 -11.522 1.00 0.00 C ATOM 1044 CD LYS A 70 -4.744 -1.688 -12.885 1.00 0.00 C ATOM 1045 CE LYS A 70 -6.100 -2.369 -12.784 1.00 0.00 C ATOM 1046 NZ LYS A 70 -5.972 -3.819 -12.473 1.00 0.00 N ATOM 0 H LYS A 70 -2.377 0.459 -11.091 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.332 1.204 -12.917 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.710 0.242 -10.055 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.882 0.118 -11.352 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.153 -1.186 -11.535 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.513 -1.984 -10.772 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.818 -0.825 -13.547 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.024 -2.373 -13.333 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.693 -1.883 -12.010 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.639 -2.246 -13.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.918 -4.246 -12.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.428 -4.288 -13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.480 -3.937 -11.564 1.00 0.00 H new ATOM 1060 N ASN A 71 -4.407 2.977 -10.125 1.00 0.00 N ATOM 1061 CA ASN A 71 -4.912 4.212 -9.537 1.00 0.00 C ATOM 1062 C ASN A 71 -3.814 5.270 -9.467 1.00 0.00 C ATOM 1063 O ASN A 71 -3.764 6.067 -8.530 1.00 0.00 O ATOM 1064 CB ASN A 71 -5.467 3.945 -8.136 1.00 0.00 C ATOM 1065 CG ASN A 71 -6.923 3.522 -8.163 1.00 0.00 C ATOM 1066 OD1 ASN A 71 -7.823 4.344 -7.987 1.00 0.00 O ATOM 1067 ND2 ASN A 71 -7.161 2.235 -8.384 1.00 0.00 N ATOM 0 H ASN A 71 -3.783 2.445 -9.518 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.714 4.586 -10.173 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.874 3.167 -7.655 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.364 4.845 -7.530 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.121 1.892 -8.413 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.384 1.589 -8.525 1.00 0.00 H new ATOM 1074 N ARG A 72 -2.938 5.271 -10.466 1.00 0.00 N ATOM 1075 CA ARG A 72 -1.841 6.230 -10.518 1.00 0.00 C ATOM 1076 C ARG A 72 -2.370 7.661 -10.540 1.00 0.00 C ATOM 1077 O ARG A 72 -1.796 8.555 -9.919 1.00 0.00 O ATOM 1078 CB ARG A 72 -0.973 5.978 -11.752 1.00 0.00 C ATOM 1079 CG ARG A 72 -1.700 6.209 -13.067 1.00 0.00 C ATOM 1080 CD ARG A 72 -0.856 5.775 -14.255 1.00 0.00 C ATOM 1081 NE ARG A 72 -1.490 6.109 -15.527 1.00 0.00 N ATOM 1082 CZ ARG A 72 -2.521 5.440 -16.033 1.00 0.00 C ATOM 1083 NH1 ARG A 72 -3.032 4.408 -15.377 1.00 0.00 N ATOM 1084 NH2 ARG A 72 -3.043 5.805 -17.197 1.00 0.00 N ATOM 0 H ARG A 72 -2.966 4.619 -11.250 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.235 6.098 -9.622 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.100 6.629 -11.710 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.607 4.952 -11.725 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.640 5.657 -13.066 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.951 7.265 -13.164 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.121 6.255 -14.200 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.686 4.699 -14.206 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.121 6.899 -16.056 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.634 4.125 -14.481 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.823 3.896 -15.768 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.653 6.599 -17.704 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.834 5.291 -17.585 1.00 0.00 H new ATOM 1098 N GLU A 73 -3.468 7.870 -11.260 1.00 0.00 N ATOM 1099 CA GLU A 73 -4.074 9.192 -11.363 1.00 0.00 C ATOM 1100 C GLU A 73 -4.946 9.488 -10.146 1.00 0.00 C ATOM 1101 O GLU A 73 -4.855 10.560 -9.550 1.00 0.00 O ATOM 1102 CB GLU A 73 -4.909 9.297 -12.641 1.00 0.00 C ATOM 1103 CG GLU A 73 -4.076 9.333 -13.911 1.00 0.00 C ATOM 1104 CD GLU A 73 -4.816 9.957 -15.077 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -5.575 9.232 -15.754 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -4.637 11.170 -15.313 1.00 0.00 O ATOM 0 H GLU A 73 -3.956 7.141 -11.780 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.272 9.929 -11.401 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.593 8.449 -12.689 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.521 10.198 -12.592 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.160 9.894 -13.725 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.779 8.318 -14.175 1.00 0.00 H new ATOM 1113 N GLU A 74 -5.792 8.528 -9.785 1.00 0.00 N ATOM 1114 CA GLU A 74 -6.682 8.686 -8.641 1.00 0.00 C ATOM 1115 C GLU A 74 -5.888 8.961 -7.368 1.00 0.00 C ATOM 1116 O GLU A 74 -6.242 9.838 -6.578 1.00 0.00 O ATOM 1117 CB GLU A 74 -7.542 7.433 -8.458 1.00 0.00 C ATOM 1118 CG GLU A 74 -8.469 7.501 -7.257 1.00 0.00 C ATOM 1119 CD GLU A 74 -9.543 8.561 -7.408 1.00 0.00 C ATOM 1120 OE1 GLU A 74 -10.516 8.318 -8.151 1.00 0.00 O ATOM 1121 OE2 GLU A 74 -9.410 9.634 -6.783 1.00 0.00 O ATOM 0 H GLU A 74 -5.880 7.634 -10.268 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.332 9.539 -8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.138 7.277 -9.357 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.889 6.567 -8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.941 6.529 -7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.883 7.708 -6.362 1.00 0.00 H new ATOM 1128 N LEU A 75 -4.812 8.206 -7.174 1.00 0.00 N ATOM 1129 CA LEU A 75 -3.967 8.367 -5.996 1.00 0.00 C ATOM 1130 C LEU A 75 -3.364 9.767 -5.946 1.00 0.00 C ATOM 1131 O LEU A 75 -3.205 10.347 -4.873 1.00 0.00 O ATOM 1132 CB LEU A 75 -2.852 7.319 -5.997 1.00 0.00 C ATOM 1133 CG LEU A 75 -3.249 5.917 -5.536 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -2.105 4.938 -5.757 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -3.662 5.934 -4.071 1.00 0.00 C ATOM 0 H LEU A 75 -4.504 7.477 -7.817 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.588 8.227 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.449 7.247 -7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.045 7.675 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.102 5.588 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.406 3.945 -5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.855 4.904 -6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.233 5.263 -5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.941 4.927 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.828 6.284 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.512 6.603 -3.940 1.00 0.00 H new ATOM 1147 N GLY A 76 -3.032 10.306 -7.115 1.00 0.00 N ATOM 1148 CA GLY A 76 -2.453 11.635 -7.183 1.00 0.00 C ATOM 1149 C GLY A 76 -1.010 11.615 -7.647 1.00 0.00 C ATOM 1150 O GLY A 76 -0.183 12.386 -7.159 1.00 0.00 O ATOM 0 H GLY A 76 -3.154 9.846 -8.017 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.042 12.250 -7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.509 12.103 -6.200 1.00 0.00 H new ATOM 1154 N PHE A 77 -0.706 10.731 -8.592 1.00 0.00 N ATOM 1155 CA PHE A 77 0.648 10.613 -9.120 1.00 0.00 C ATOM 1156 C PHE A 77 0.858 11.562 -10.297 1.00 0.00 C ATOM 1157 O PHE A 77 0.108 11.532 -11.273 1.00 0.00 O ATOM 1158 CB PHE A 77 0.923 9.172 -9.556 1.00 0.00 C ATOM 1159 CG PHE A 77 2.371 8.784 -9.462 1.00 0.00 C ATOM 1160 CD1 PHE A 77 3.071 8.950 -8.278 1.00 0.00 C ATOM 1161 CD2 PHE A 77 3.032 8.253 -10.558 1.00 0.00 C ATOM 1162 CE1 PHE A 77 4.404 8.594 -8.189 1.00 0.00 C ATOM 1163 CE2 PHE A 77 4.365 7.895 -10.475 1.00 0.00 C ATOM 1164 CZ PHE A 77 5.051 8.065 -9.288 1.00 0.00 C ATOM 0 H PHE A 77 -1.379 10.086 -9.007 1.00 0.00 H new ATOM 0 HA PHE A 77 1.346 10.886 -8.328 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.333 8.495 -8.939 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.586 9.041 -10.584 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.570 9.362 -7.415 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.500 8.117 -11.488 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.939 8.730 -7.261 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.869 7.483 -11.337 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.092 7.785 -9.220 1.00 0.00 H new ATOM 1174 N ARG A 78 1.882 12.402 -10.196 1.00 0.00 N ATOM 1175 CA ARG A 78 2.189 13.361 -11.250 1.00 0.00 C ATOM 1176 C ARG A 78 3.095 12.736 -12.307 1.00 0.00 C ATOM 1177 O ARG A 78 3.820 11.775 -12.048 1.00 0.00 O ATOM 1178 CB ARG A 78 2.860 14.603 -10.659 1.00 0.00 C ATOM 1179 CG ARG A 78 1.875 15.648 -10.161 1.00 0.00 C ATOM 1180 CD ARG A 78 2.442 16.435 -8.990 1.00 0.00 C ATOM 1181 NE ARG A 78 3.163 17.627 -9.430 1.00 0.00 N ATOM 1182 CZ ARG A 78 2.565 18.757 -9.789 1.00 0.00 C ATOM 1183 NH1 ARG A 78 1.243 18.849 -9.761 1.00 0.00 N ATOM 1184 NH2 ARG A 78 3.290 19.799 -10.177 1.00 0.00 N ATOM 0 H ARG A 78 2.513 12.438 -9.395 1.00 0.00 H new ATOM 0 HA ARG A 78 1.252 13.653 -11.725 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.504 14.300 -9.833 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.503 15.053 -11.415 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.626 16.331 -10.973 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.948 15.161 -9.859 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.631 16.727 -8.323 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.113 15.797 -8.415 1.00 0.00 H new ATOM 0 HE ARG A 78 4.182 17.589 -9.463 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.682 18.051 -9.463 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.786 19.718 -10.037 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.308 19.732 -10.200 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.830 20.666 -10.453 1.00 0.00 H new ATOM 1198 N PRO A 79 3.052 13.291 -13.527 1.00 0.00 N ATOM 1199 CA PRO A 79 3.862 12.804 -14.647 1.00 0.00 C ATOM 1200 C PRO A 79 5.347 13.095 -14.459 1.00 0.00 C ATOM 1201 O PRO A 79 6.166 12.774 -15.320 1.00 0.00 O ATOM 1202 CB PRO A 79 3.313 13.581 -15.846 1.00 0.00 C ATOM 1203 CG PRO A 79 2.738 14.824 -15.261 1.00 0.00 C ATOM 1204 CD PRO A 79 2.211 14.439 -13.906 1.00 0.00 C ATOM 0 HA PRO A 79 3.796 11.721 -14.756 1.00 0.00 H new ATOM 0 HB2 PRO A 79 4.101 13.809 -16.564 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.554 13.006 -16.377 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.496 15.603 -15.178 1.00 0.00 H new ATOM 0 HG3 PRO A 79 1.942 15.220 -15.891 1.00 0.00 H new ATOM 0 HD2 PRO A 79 2.302 15.257 -13.192 1.00 0.00 H new ATOM 0 HD3 PRO A 79 1.156 14.168 -13.947 1.00 0.00 H new ATOM 1212 N GLU A 80 5.687 13.705 -13.328 1.00 0.00 N ATOM 1213 CA GLU A 80 7.075 14.039 -13.028 1.00 0.00 C ATOM 1214 C GLU A 80 7.702 12.990 -12.114 1.00 0.00 C ATOM 1215 O GLU A 80 8.917 12.792 -12.121 1.00 0.00 O ATOM 1216 CB GLU A 80 7.160 15.419 -12.373 1.00 0.00 C ATOM 1217 CG GLU A 80 8.314 15.558 -11.394 1.00 0.00 C ATOM 1218 CD GLU A 80 8.836 16.979 -11.305 1.00 0.00 C ATOM 1219 OE1 GLU A 80 8.093 17.908 -11.685 1.00 0.00 O ATOM 1220 OE2 GLU A 80 9.987 17.162 -10.857 1.00 0.00 O ATOM 0 H GLU A 80 5.021 13.978 -12.605 1.00 0.00 H new ATOM 0 HA GLU A 80 7.629 14.055 -13.966 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.262 16.176 -13.151 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.225 15.622 -11.851 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.989 15.232 -10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.125 14.896 -11.697 1.00 0.00 H new ATOM 1227 N TYR A 81 6.864 12.323 -11.328 1.00 0.00 N ATOM 1228 CA TYR A 81 7.336 11.296 -10.406 1.00 0.00 C ATOM 1229 C TYR A 81 7.578 9.978 -11.136 1.00 0.00 C ATOM 1230 O TYR A 81 6.661 9.403 -11.721 1.00 0.00 O ATOM 1231 CB TYR A 81 6.323 11.090 -9.279 1.00 0.00 C ATOM 1232 CG TYR A 81 5.922 12.371 -8.583 1.00 0.00 C ATOM 1233 CD1 TYR A 81 6.687 13.524 -8.712 1.00 0.00 C ATOM 1234 CD2 TYR A 81 4.779 12.429 -7.795 1.00 0.00 C ATOM 1235 CE1 TYR A 81 6.325 14.696 -8.078 1.00 0.00 C ATOM 1236 CE2 TYR A 81 4.408 13.597 -7.158 1.00 0.00 C ATOM 1237 CZ TYR A 81 5.185 14.728 -7.303 1.00 0.00 C ATOM 1238 OH TYR A 81 4.820 15.894 -6.669 1.00 0.00 O ATOM 0 H TYR A 81 5.855 12.475 -11.311 1.00 0.00 H new ATOM 0 HA TYR A 81 8.281 11.632 -9.979 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.431 10.613 -9.686 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.744 10.404 -8.544 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.580 13.503 -9.319 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.170 11.545 -7.679 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.931 15.583 -8.189 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.516 13.625 -6.550 1.00 0.00 H new ATOM 0 HH TYR A 81 3.993 15.747 -6.165 1.00 0.00 H new ATOM 1248 N SER A 82 8.820 9.506 -11.094 1.00 0.00 N ATOM 1249 CA SER A 82 9.185 8.258 -11.753 1.00 0.00 C ATOM 1250 C SER A 82 9.738 7.254 -10.746 1.00 0.00 C ATOM 1251 O SER A 82 9.866 7.554 -9.560 1.00 0.00 O ATOM 1252 CB SER A 82 10.218 8.519 -12.850 1.00 0.00 C ATOM 1253 OG SER A 82 11.465 8.902 -12.296 1.00 0.00 O ATOM 0 H SER A 82 9.590 9.969 -10.611 1.00 0.00 H new ATOM 0 HA SER A 82 8.286 7.837 -12.204 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.346 7.621 -13.455 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.856 9.303 -13.516 1.00 0.00 H new ATOM 0 HG SER A 82 12.108 9.061 -13.018 1.00 0.00 H new ATOM 1259 N ALA A 83 10.064 6.059 -11.230 1.00 0.00 N ATOM 1260 CA ALA A 83 10.606 5.011 -10.374 1.00 0.00 C ATOM 1261 C ALA A 83 11.943 5.429 -9.772 1.00 0.00 C ATOM 1262 O ALA A 83 12.207 5.188 -8.594 1.00 0.00 O ATOM 1263 CB ALA A 83 10.760 3.716 -11.158 1.00 0.00 C ATOM 0 H ALA A 83 9.962 5.793 -12.210 1.00 0.00 H new ATOM 0 HA ALA A 83 9.905 4.847 -9.556 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.166 2.942 -10.506 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.787 3.400 -11.534 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.438 3.877 -11.996 1.00 0.00 H new ATOM 1269 N SER A 84 12.783 6.057 -10.588 1.00 0.00 N ATOM 1270 CA SER A 84 14.096 6.505 -10.137 1.00 0.00 C ATOM 1271 C SER A 84 13.968 7.438 -8.936 1.00 0.00 C ATOM 1272 O SER A 84 14.913 7.608 -8.167 1.00 0.00 O ATOM 1273 CB SER A 84 14.834 7.215 -11.273 1.00 0.00 C ATOM 1274 OG SER A 84 16.103 7.678 -10.845 1.00 0.00 O ATOM 0 H SER A 84 12.578 6.267 -11.565 1.00 0.00 H new ATOM 0 HA SER A 84 14.668 5.628 -9.835 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.957 6.532 -12.114 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.238 8.055 -11.629 1.00 0.00 H new ATOM 0 HG SER A 84 16.556 8.127 -11.589 1.00 0.00 H new ATOM 1280 N GLN A 85 12.793 8.039 -8.785 1.00 0.00 N ATOM 1281 CA GLN A 85 12.541 8.956 -7.679 1.00 0.00 C ATOM 1282 C GLN A 85 12.140 8.193 -6.421 1.00 0.00 C ATOM 1283 O GLN A 85 12.461 8.603 -5.305 1.00 0.00 O ATOM 1284 CB GLN A 85 11.445 9.954 -8.056 1.00 0.00 C ATOM 1285 CG GLN A 85 11.943 11.112 -8.906 1.00 0.00 C ATOM 1286 CD GLN A 85 11.148 12.383 -8.685 1.00 0.00 C ATOM 1287 OE1 GLN A 85 10.437 12.847 -9.577 1.00 0.00 O ATOM 1288 NE2 GLN A 85 11.263 12.954 -7.492 1.00 0.00 N ATOM 0 H GLN A 85 12.001 7.908 -9.414 1.00 0.00 H new ATOM 0 HA GLN A 85 13.463 9.500 -7.474 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.658 9.429 -8.597 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.996 10.350 -7.145 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.992 11.300 -8.678 1.00 0.00 H new ATOM 0 HG3 GLN A 85 11.891 10.834 -9.959 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.864 12.535 -6.782 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.751 13.811 -7.285 1.00 0.00 H new ATOM 1297 N LEU A 86 11.435 7.083 -6.607 1.00 0.00 N ATOM 1298 CA LEU A 86 10.989 6.262 -5.487 1.00 0.00 C ATOM 1299 C LEU A 86 12.157 5.909 -4.572 1.00 0.00 C ATOM 1300 O LEU A 86 13.249 5.583 -5.038 1.00 0.00 O ATOM 1301 CB LEU A 86 10.322 4.984 -5.998 1.00 0.00 C ATOM 1302 CG LEU A 86 8.895 5.137 -6.526 1.00 0.00 C ATOM 1303 CD1 LEU A 86 8.415 3.836 -7.150 1.00 0.00 C ATOM 1304 CD2 LEU A 86 7.958 5.572 -5.409 1.00 0.00 C ATOM 0 H LEU A 86 11.160 6.730 -7.524 1.00 0.00 H new ATOM 0 HA LEU A 86 10.263 6.838 -4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.940 4.569 -6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.312 4.254 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 86 8.893 5.908 -7.296 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.398 3.964 -7.520 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.071 3.566 -7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.432 3.045 -6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.947 5.676 -5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.964 4.823 -4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.291 6.529 -5.007 1.00 0.00 H new ATOM 1316 N LYS A 87 11.919 5.972 -3.266 1.00 0.00 N ATOM 1317 CA LYS A 87 12.949 5.656 -2.284 1.00 0.00 C ATOM 1318 C LYS A 87 13.393 4.201 -2.410 1.00 0.00 C ATOM 1319 O LYS A 87 12.644 3.354 -2.895 1.00 0.00 O ATOM 1320 CB LYS A 87 12.432 5.921 -0.868 1.00 0.00 C ATOM 1321 CG LYS A 87 12.667 7.344 -0.392 1.00 0.00 C ATOM 1322 CD LYS A 87 12.239 7.526 1.055 1.00 0.00 C ATOM 1323 CE LYS A 87 13.291 6.998 2.018 1.00 0.00 C ATOM 1324 NZ LYS A 87 13.048 7.459 3.412 1.00 0.00 N ATOM 0 H LYS A 87 11.021 6.239 -2.863 1.00 0.00 H new ATOM 0 HA LYS A 87 13.808 6.298 -2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.364 5.707 -0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.917 5.231 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.723 7.593 -0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.114 8.037 -1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.061 8.583 1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.296 7.007 1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.294 5.908 1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.278 7.327 1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.786 7.078 4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.071 8.498 3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.117 7.123 3.731 1.00 0.00 H new ATOM 1338 N GLY A 88 14.615 3.920 -1.968 1.00 0.00 N ATOM 1339 CA GLY A 88 15.136 2.567 -2.039 1.00 0.00 C ATOM 1340 C GLY A 88 14.678 1.834 -3.285 1.00 0.00 C ATOM 1341 O GLY A 88 14.359 0.646 -3.234 1.00 0.00 O ATOM 0 H GLY A 88 15.253 4.604 -1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.225 2.599 -2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 88 14.818 2.012 -1.157 1.00 0.00 H new ATOM 1345 N PHE A 89 14.643 2.544 -4.408 1.00 0.00 N ATOM 1346 CA PHE A 89 14.219 1.955 -5.672 1.00 0.00 C ATOM 1347 C PHE A 89 15.372 1.213 -6.341 1.00 0.00 C ATOM 1348 O PHE A 89 15.198 0.111 -6.861 1.00 0.00 O ATOM 1349 CB PHE A 89 13.682 3.038 -6.610 1.00 0.00 C ATOM 1350 CG PHE A 89 13.695 2.639 -8.058 1.00 0.00 C ATOM 1351 CD1 PHE A 89 12.900 1.599 -8.511 1.00 0.00 C ATOM 1352 CD2 PHE A 89 14.504 3.304 -8.966 1.00 0.00 C ATOM 1353 CE1 PHE A 89 12.911 1.229 -9.842 1.00 0.00 C ATOM 1354 CE2 PHE A 89 14.519 2.938 -10.299 1.00 0.00 C ATOM 1355 CZ PHE A 89 13.721 1.900 -10.738 1.00 0.00 C ATOM 0 H PHE A 89 14.903 3.528 -4.468 1.00 0.00 H new ATOM 0 HA PHE A 89 13.424 1.240 -5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 89 12.661 3.286 -6.319 1.00 0.00 H new ATOM 0 HB3 PHE A 89 14.277 3.943 -6.486 1.00 0.00 H new ATOM 0 HD1 PHE A 89 12.264 1.071 -7.816 1.00 0.00 H new ATOM 0 HD2 PHE A 89 15.130 4.117 -8.628 1.00 0.00 H new ATOM 0 HE1 PHE A 89 12.287 0.416 -10.182 1.00 0.00 H new ATOM 0 HE2 PHE A 89 15.154 3.463 -10.997 1.00 0.00 H new ATOM 0 HZ PHE A 89 13.730 1.613 -11.779 1.00 0.00 H new ATOM 1365 N SER A 90 16.551 1.827 -6.325 1.00 0.00 N ATOM 1366 CA SER A 90 17.733 1.228 -6.934 1.00 0.00 C ATOM 1367 C SER A 90 18.117 -0.064 -6.219 1.00 0.00 C ATOM 1368 O SER A 90 18.656 -0.989 -6.829 1.00 0.00 O ATOM 1369 CB SER A 90 18.905 2.211 -6.898 1.00 0.00 C ATOM 1370 OG SER A 90 20.131 1.553 -7.165 1.00 0.00 O ATOM 0 H SER A 90 16.713 2.739 -5.897 1.00 0.00 H new ATOM 0 HA SER A 90 17.497 0.993 -7.972 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.745 3.000 -7.633 1.00 0.00 H new ATOM 0 HB3 SER A 90 18.952 2.691 -5.920 1.00 0.00 H new ATOM 0 HG SER A 90 20.864 2.203 -7.138 1.00 0.00 H new ATOM 1376 N LEU A 91 17.835 -0.122 -4.922 1.00 0.00 N ATOM 1377 CA LEU A 91 18.149 -1.300 -4.122 1.00 0.00 C ATOM 1378 C LEU A 91 17.282 -2.486 -4.535 1.00 0.00 C ATOM 1379 O LEU A 91 17.711 -3.638 -4.459 1.00 0.00 O ATOM 1380 CB LEU A 91 17.949 -1.000 -2.636 1.00 0.00 C ATOM 1381 CG LEU A 91 18.703 0.212 -2.088 1.00 0.00 C ATOM 1382 CD1 LEU A 91 18.274 0.506 -0.659 1.00 0.00 C ATOM 1383 CD2 LEU A 91 20.205 -0.017 -2.160 1.00 0.00 C ATOM 0 H LEU A 91 17.389 0.634 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 91 19.193 -1.559 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 91 16.884 -0.852 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 91 18.250 -1.878 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 91 18.458 1.077 -2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 91 18.821 1.372 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 91 17.204 0.715 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 91 18.488 -0.358 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 91 20.725 0.856 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 91 20.468 -0.894 -1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 91 20.499 -0.177 -3.197 1.00 0.00 H new ATOM 1395 N LEU A 92 16.062 -2.196 -4.973 1.00 0.00 N ATOM 1396 CA LEU A 92 15.135 -3.238 -5.400 1.00 0.00 C ATOM 1397 C LEU A 92 15.770 -4.128 -6.464 1.00 0.00 C ATOM 1398 O LEU A 92 16.681 -3.708 -7.176 1.00 0.00 O ATOM 1399 CB LEU A 92 13.849 -2.612 -5.944 1.00 0.00 C ATOM 1400 CG LEU A 92 13.029 -1.791 -4.948 1.00 0.00 C ATOM 1401 CD1 LEU A 92 11.894 -1.070 -5.657 1.00 0.00 C ATOM 1402 CD2 LEU A 92 12.487 -2.683 -3.840 1.00 0.00 C ATOM 0 H LEU A 92 15.692 -1.248 -5.042 1.00 0.00 H new ATOM 0 HA LEU A 92 14.894 -3.854 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.109 -1.971 -6.786 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.217 -3.410 -6.334 1.00 0.00 H new ATOM 0 HG LEU A 92 13.682 -1.043 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.322 -0.491 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.304 -0.401 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.241 -1.800 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.906 -2.082 -3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.849 -3.454 -4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.317 -3.153 -3.312 1.00 0.00 H new ATOM 1414 N ALA A 93 15.280 -5.359 -6.566 1.00 0.00 N ATOM 1415 CA ALA A 93 15.796 -6.308 -7.546 1.00 0.00 C ATOM 1416 C ALA A 93 15.562 -5.810 -8.968 1.00 0.00 C ATOM 1417 O ALA A 93 14.461 -5.380 -9.314 1.00 0.00 O ATOM 1418 CB ALA A 93 15.151 -7.672 -7.349 1.00 0.00 C ATOM 0 H ALA A 93 14.527 -5.723 -5.982 1.00 0.00 H new ATOM 0 HA ALA A 93 16.871 -6.401 -7.394 1.00 0.00 H new ATOM 0 HB1 ALA A 93 15.545 -8.371 -8.087 1.00 0.00 H new ATOM 0 HB2 ALA A 93 15.374 -8.039 -6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.071 -7.585 -7.472 1.00 0.00 H new ATOM 1424 N THR A 94 16.605 -5.870 -9.790 1.00 0.00 N ATOM 1425 CA THR A 94 16.514 -5.424 -11.174 1.00 0.00 C ATOM 1426 C THR A 94 15.181 -5.825 -11.795 1.00 0.00 C ATOM 1427 O THR A 94 14.463 -4.988 -12.340 1.00 0.00 O ATOM 1428 CB THR A 94 17.660 -6.001 -12.027 1.00 0.00 C ATOM 1429 OG1 THR A 94 18.915 -5.786 -11.372 1.00 0.00 O ATOM 1430 CG2 THR A 94 17.685 -5.358 -13.406 1.00 0.00 C ATOM 0 H THR A 94 17.523 -6.223 -9.521 1.00 0.00 H new ATOM 0 HA THR A 94 16.593 -4.337 -11.161 1.00 0.00 H new ATOM 0 HB THR A 94 17.492 -7.071 -12.146 1.00 0.00 H new ATOM 0 HG1 THR A 94 19.638 -6.157 -11.920 1.00 0.00 H new ATOM 0 HG21 THR A 94 18.502 -5.781 -13.990 1.00 0.00 H new ATOM 0 HG22 THR A 94 16.739 -5.549 -13.914 1.00 0.00 H new ATOM 0 HG23 THR A 94 17.831 -4.283 -13.303 1.00 0.00 H new ATOM 1438 N GLU A 95 14.857 -7.112 -11.708 1.00 0.00 N ATOM 1439 CA GLU A 95 13.609 -7.623 -12.262 1.00 0.00 C ATOM 1440 C GLU A 95 12.445 -6.693 -11.931 1.00 0.00 C ATOM 1441 O GLU A 95 11.705 -6.267 -12.818 1.00 0.00 O ATOM 1442 CB GLU A 95 13.324 -9.027 -11.724 1.00 0.00 C ATOM 1443 CG GLU A 95 13.991 -10.133 -12.524 1.00 0.00 C ATOM 1444 CD GLU A 95 13.305 -10.387 -13.853 1.00 0.00 C ATOM 1445 OE1 GLU A 95 13.386 -9.512 -14.740 1.00 0.00 O ATOM 1446 OE2 GLU A 95 12.687 -11.461 -14.004 1.00 0.00 O ATOM 0 H GLU A 95 15.441 -7.818 -11.260 1.00 0.00 H new ATOM 0 HA GLU A 95 13.715 -7.671 -13.346 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.661 -9.085 -10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.247 -9.193 -11.719 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.034 -9.869 -12.702 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.990 -11.052 -11.937 1.00 0.00 H new ATOM 1453 N ASP A 96 12.289 -6.385 -10.648 1.00 0.00 N ATOM 1454 CA ASP A 96 11.216 -5.505 -10.198 1.00 0.00 C ATOM 1455 C ASP A 96 11.382 -4.105 -10.779 1.00 0.00 C ATOM 1456 O ASP A 96 10.415 -3.489 -11.229 1.00 0.00 O ATOM 1457 CB ASP A 96 11.190 -5.437 -8.671 1.00 0.00 C ATOM 1458 CG ASP A 96 10.930 -6.789 -8.035 1.00 0.00 C ATOM 1459 OD1 ASP A 96 9.803 -7.306 -8.183 1.00 0.00 O ATOM 1460 OD2 ASP A 96 11.852 -7.329 -7.390 1.00 0.00 O ATOM 0 H ASP A 96 12.892 -6.731 -9.901 1.00 0.00 H new ATOM 0 HA ASP A 96 10.270 -5.916 -10.552 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.142 -5.047 -8.311 1.00 0.00 H new ATOM 0 HB3 ASP A 96 10.418 -4.735 -8.355 1.00 0.00 H new ATOM 1465 N LYS A 97 12.613 -3.606 -10.767 1.00 0.00 N ATOM 1466 CA LYS A 97 12.907 -2.278 -11.292 1.00 0.00 C ATOM 1467 C LYS A 97 12.353 -2.117 -12.704 1.00 0.00 C ATOM 1468 O LYS A 97 11.509 -1.257 -12.954 1.00 0.00 O ATOM 1469 CB LYS A 97 14.417 -2.031 -11.295 1.00 0.00 C ATOM 1470 CG LYS A 97 15.061 -2.184 -9.927 1.00 0.00 C ATOM 1471 CD LYS A 97 16.566 -1.983 -9.994 1.00 0.00 C ATOM 1472 CE LYS A 97 16.934 -0.508 -9.926 1.00 0.00 C ATOM 1473 NZ LYS A 97 17.001 0.109 -11.279 1.00 0.00 N ATOM 0 H LYS A 97 13.425 -4.102 -10.399 1.00 0.00 H new ATOM 0 HA LYS A 97 12.426 -1.544 -10.645 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.889 -2.726 -11.989 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.612 -1.026 -11.669 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.627 -1.461 -9.236 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.843 -3.175 -9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.043 -2.516 -9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.951 -2.413 -10.919 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.199 0.022 -9.321 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.897 -0.396 -9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.857 0.696 -11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.033 -0.639 -12.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.161 0.702 -11.432 1.00 0.00 H new ATOM 1487 N GLU A 98 12.831 -2.950 -13.622 1.00 0.00 N ATOM 1488 CA GLU A 98 12.382 -2.899 -15.008 1.00 0.00 C ATOM 1489 C GLU A 98 10.874 -2.675 -15.083 1.00 0.00 C ATOM 1490 O GLU A 98 10.390 -1.918 -15.924 1.00 0.00 O ATOM 1491 CB GLU A 98 12.754 -4.193 -15.736 1.00 0.00 C ATOM 1492 CG GLU A 98 14.252 -4.424 -15.839 1.00 0.00 C ATOM 1493 CD GLU A 98 14.593 -5.788 -16.408 1.00 0.00 C ATOM 1494 OE1 GLU A 98 13.909 -6.768 -16.049 1.00 0.00 O ATOM 1495 OE2 GLU A 98 15.545 -5.874 -17.212 1.00 0.00 O ATOM 0 H GLU A 98 13.529 -3.669 -13.431 1.00 0.00 H new ATOM 0 HA GLU A 98 12.881 -2.061 -15.495 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.300 -5.036 -15.216 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.328 -4.171 -16.739 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.693 -3.651 -16.469 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.700 -4.324 -14.851 1.00 0.00 H new ATOM 1502 N ALA A 99 10.139 -3.340 -14.199 1.00 0.00 N ATOM 1503 CA ALA A 99 8.687 -3.214 -14.163 1.00 0.00 C ATOM 1504 C ALA A 99 8.269 -1.791 -13.807 1.00 0.00 C ATOM 1505 O ALA A 99 7.386 -1.214 -14.444 1.00 0.00 O ATOM 1506 CB ALA A 99 8.095 -4.204 -13.171 1.00 0.00 C ATOM 0 H ALA A 99 10.525 -3.972 -13.498 1.00 0.00 H new ATOM 0 HA ALA A 99 8.302 -3.440 -15.158 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.010 -4.098 -13.155 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.356 -5.219 -13.470 1.00 0.00 H new ATOM 0 HB3 ALA A 99 8.494 -4.005 -12.176 1.00 0.00 H new ATOM 1512 N LEU A 100 8.906 -1.230 -12.785 1.00 0.00 N ATOM 1513 CA LEU A 100 8.599 0.126 -12.343 1.00 0.00 C ATOM 1514 C LEU A 100 9.030 1.149 -13.389 1.00 0.00 C ATOM 1515 O LEU A 100 8.362 2.164 -13.592 1.00 0.00 O ATOM 1516 CB LEU A 100 9.292 0.418 -11.011 1.00 0.00 C ATOM 1517 CG LEU A 100 8.725 -0.303 -9.787 1.00 0.00 C ATOM 1518 CD1 LEU A 100 9.599 -0.052 -8.568 1.00 0.00 C ATOM 1519 CD2 LEU A 100 7.295 0.142 -9.521 1.00 0.00 C ATOM 0 H LEU A 100 9.638 -1.693 -12.247 1.00 0.00 H new ATOM 0 HA LEU A 100 7.520 0.203 -12.208 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.345 0.155 -11.107 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.247 1.492 -10.829 1.00 0.00 H new ATOM 0 HG LEU A 100 8.719 -1.374 -9.990 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.180 -0.573 -7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.606 -0.421 -8.760 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.637 1.018 -8.362 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.908 -0.381 -8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.276 1.216 -9.339 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.675 -0.090 -10.387 1.00 0.00 H new ATOM 1531 N LYS A 101 10.148 0.876 -14.052 1.00 0.00 N ATOM 1532 CA LYS A 101 10.667 1.770 -15.080 1.00 0.00 C ATOM 1533 C LYS A 101 9.775 1.752 -16.318 1.00 0.00 C ATOM 1534 O LYS A 101 9.423 2.801 -16.857 1.00 0.00 O ATOM 1535 CB LYS A 101 12.094 1.369 -15.461 1.00 0.00 C ATOM 1536 CG LYS A 101 13.067 1.406 -14.295 1.00 0.00 C ATOM 1537 CD LYS A 101 14.445 0.913 -14.704 1.00 0.00 C ATOM 1538 CE LYS A 101 15.168 1.932 -15.571 1.00 0.00 C ATOM 1539 NZ LYS A 101 16.502 1.439 -16.011 1.00 0.00 N ATOM 0 H LYS A 101 10.713 0.041 -13.896 1.00 0.00 H new ATOM 0 HA LYS A 101 10.676 2.782 -14.675 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.080 0.363 -15.880 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.453 2.036 -16.245 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.142 2.425 -13.914 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.685 0.789 -13.481 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.038 0.706 -13.813 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.350 -0.027 -15.248 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.559 2.162 -16.445 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.290 2.861 -15.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.963 2.162 -16.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.092 1.244 -15.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.384 0.566 -16.564 1.00 0.00 H new ATOM 1553 N LYS A 102 9.412 0.554 -16.762 1.00 0.00 N ATOM 1554 CA LYS A 102 8.559 0.398 -17.934 1.00 0.00 C ATOM 1555 C LYS A 102 7.144 0.892 -17.647 1.00 0.00 C ATOM 1556 O LYS A 102 6.548 1.599 -18.459 1.00 0.00 O ATOM 1557 CB LYS A 102 8.520 -1.068 -18.371 1.00 0.00 C ATOM 1558 CG LYS A 102 9.874 -1.615 -18.787 1.00 0.00 C ATOM 1559 CD LYS A 102 9.895 -3.134 -18.759 1.00 0.00 C ATOM 1560 CE LYS A 102 9.054 -3.724 -19.881 1.00 0.00 C ATOM 1561 NZ LYS A 102 9.323 -5.176 -20.071 1.00 0.00 N ATOM 0 H LYS A 102 9.696 -0.324 -16.327 1.00 0.00 H new ATOM 0 HA LYS A 102 8.979 1.000 -18.740 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.130 -1.672 -17.552 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.824 -1.172 -19.204 1.00 0.00 H new ATOM 0 HG2 LYS A 102 10.116 -1.265 -19.791 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.644 -1.227 -18.120 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.923 -3.486 -18.849 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.520 -3.486 -17.798 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.997 -3.577 -19.659 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.262 -3.192 -20.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 8.731 -5.541 -20.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.326 -5.315 -20.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.100 -5.688 -19.194 1.00 0.00 H new ATOM 1575 N GLN A 103 6.615 0.516 -16.487 1.00 0.00 N ATOM 1576 CA GLN A 103 5.271 0.922 -16.094 1.00 0.00 C ATOM 1577 C GLN A 103 5.185 2.436 -15.931 1.00 0.00 C ATOM 1578 O GLN A 103 4.242 3.070 -16.406 1.00 0.00 O ATOM 1579 CB GLN A 103 4.869 0.233 -14.789 1.00 0.00 C ATOM 1580 CG GLN A 103 4.451 -1.217 -14.970 1.00 0.00 C ATOM 1581 CD GLN A 103 3.628 -1.737 -13.807 1.00 0.00 C ATOM 1582 OE1 GLN A 103 4.123 -1.853 -12.685 1.00 0.00 O ATOM 1583 NE2 GLN A 103 2.366 -2.053 -14.069 1.00 0.00 N ATOM 0 H GLN A 103 7.096 -0.069 -15.804 1.00 0.00 H new ATOM 0 HA GLN A 103 4.582 0.621 -16.883 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.706 0.277 -14.092 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.047 0.785 -14.335 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.874 -1.313 -15.890 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.341 -1.836 -15.086 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.998 -1.941 -15.014 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.764 -2.408 -13.326 1.00 0.00 H new ATOM 1592 N LEU A 104 6.176 3.010 -15.258 1.00 0.00 N ATOM 1593 CA LEU A 104 6.212 4.451 -15.032 1.00 0.00 C ATOM 1594 C LEU A 104 7.319 5.103 -15.855 1.00 0.00 C ATOM 1595 O LEU A 104 8.410 5.386 -15.360 1.00 0.00 O ATOM 1596 CB LEU A 104 6.423 4.749 -13.546 1.00 0.00 C ATOM 1597 CG LEU A 104 5.499 4.013 -12.576 1.00 0.00 C ATOM 1598 CD1 LEU A 104 6.149 3.892 -11.207 1.00 0.00 C ATOM 1599 CD2 LEU A 104 4.159 4.727 -12.471 1.00 0.00 C ATOM 0 H LEU A 104 6.965 2.500 -14.860 1.00 0.00 H new ATOM 0 HA LEU A 104 5.256 4.868 -15.348 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.454 4.505 -13.290 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.301 5.821 -13.390 1.00 0.00 H new ATOM 0 HG LEU A 104 5.324 3.009 -12.962 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.476 3.365 -10.530 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.083 3.337 -11.295 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.355 4.887 -10.813 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.514 4.189 -11.776 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.316 5.743 -12.109 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.687 4.761 -13.453 1.00 0.00 H new ATOM 1611 N PRO A 105 7.031 5.351 -17.141 1.00 0.00 N ATOM 1612 CA PRO A 105 7.988 5.976 -18.060 1.00 0.00 C ATOM 1613 C PRO A 105 8.234 7.444 -17.730 1.00 0.00 C ATOM 1614 O PRO A 105 9.200 8.042 -18.201 1.00 0.00 O ATOM 1615 CB PRO A 105 7.309 5.841 -19.425 1.00 0.00 C ATOM 1616 CG PRO A 105 5.853 5.756 -19.117 1.00 0.00 C ATOM 1617 CD PRO A 105 5.750 5.041 -17.798 1.00 0.00 C ATOM 0 HA PRO A 105 8.970 5.505 -18.009 1.00 0.00 H new ATOM 0 HB2 PRO A 105 7.529 6.697 -20.063 1.00 0.00 H new ATOM 0 HB3 PRO A 105 7.655 4.952 -19.953 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.408 6.749 -19.058 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.320 5.213 -19.898 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.902 5.397 -17.213 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.617 3.968 -17.932 1.00 0.00 H new ATOM 1625 N GLY A 106 7.353 8.019 -16.918 1.00 0.00 N ATOM 1626 CA GLY A 106 7.493 9.413 -16.539 1.00 0.00 C ATOM 1627 C GLY A 106 6.534 10.317 -17.289 1.00 0.00 C ATOM 1628 O GLY A 106 5.372 9.967 -17.495 1.00 0.00 O ATOM 0 H GLY A 106 6.545 7.545 -16.516 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.320 9.514 -15.468 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.516 9.737 -16.729 1.00 0.00 H new