USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -148:sc= -4.79! (180deg=-5.78!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.251) USER MOD Single : A 22 ASN : amide:sc= -0.374 X(o=-0.37,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 53:sc= 1.23 USER MOD Single : A 29 ASN : amide:sc= -21! C(o=-21!,f=-22!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -167:sc= -0.449 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= -4.43! (180deg=-4.69!) USER MOD Single : A 49 GLN : amide:sc= -4.59 K(o=-4.6,f=-9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0452) USER MOD Single : A 58 ASN : amide:sc= -0.629 K(o=-0.63,f=0) USER MOD Single : A 61 THR OG1 : rot 90:sc= 1.26 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 9 -9.263 -6.384 1.434 1.00 0.00 N ATOM 121 CA LEU A 9 -8.623 -5.306 2.167 1.00 0.00 C ATOM 122 C LEU A 9 -8.257 -4.180 1.220 1.00 0.00 C ATOM 123 O LEU A 9 -7.774 -4.421 0.114 1.00 0.00 O ATOM 124 CB LEU A 9 -7.375 -5.815 2.892 1.00 0.00 C ATOM 125 CG LEU A 9 -7.652 -6.680 4.125 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.811 -7.949 4.087 1.00 0.00 C ATOM 127 CD2 LEU A 9 -7.379 -5.896 5.399 1.00 0.00 C ATOM 0 HA LEU A 9 -9.323 -4.928 2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.775 -6.392 2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.774 -4.958 3.195 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.704 -6.965 4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.021 -8.551 4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.055 -8.521 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.754 -7.684 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.581 -6.527 6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.336 -5.581 5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.024 -5.018 5.431 1.00 0.00 H new ATOM 139 N TYR A 10 -8.481 -2.950 1.656 1.00 0.00 N ATOM 140 CA TYR A 10 -8.166 -1.799 0.836 1.00 0.00 C ATOM 141 C TYR A 10 -6.868 -1.164 1.300 1.00 0.00 C ATOM 142 O TYR A 10 -6.821 -0.498 2.336 1.00 0.00 O ATOM 143 CB TYR A 10 -9.312 -0.790 0.880 1.00 0.00 C ATOM 144 CG TYR A 10 -10.662 -1.412 0.599 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.016 -1.790 -0.687 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.579 -1.625 1.618 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.244 -2.365 -0.952 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.811 -2.198 1.362 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.139 -2.565 0.075 1.00 0.00 C ATOM 150 OH TYR A 10 -14.364 -3.135 -0.184 1.00 0.00 O ATOM 0 H TYR A 10 -8.878 -2.727 2.569 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.037 -2.124 -0.196 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.334 -0.317 1.862 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.123 -0.002 0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.319 -1.632 -1.497 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.326 -1.338 2.628 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.501 -2.656 -1.960 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.513 -2.357 2.167 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.874 -3.206 0.650 1.00 0.00 H new ATOM 160 N LYS A 11 -5.818 -1.371 0.524 1.00 0.00 N ATOM 161 CA LYS A 11 -4.507 -0.814 0.847 1.00 0.00 C ATOM 162 C LYS A 11 -3.968 -0.006 -0.327 1.00 0.00 C ATOM 163 O LYS A 11 -4.317 -0.269 -1.478 1.00 0.00 O ATOM 164 CB LYS A 11 -3.527 -1.932 1.208 1.00 0.00 C ATOM 165 CG LYS A 11 -4.111 -2.972 2.150 1.00 0.00 C ATOM 166 CD LYS A 11 -3.337 -4.281 2.084 1.00 0.00 C ATOM 167 CE LYS A 11 -4.271 -5.482 2.082 1.00 0.00 C ATOM 168 NZ LYS A 11 -4.353 -6.123 3.421 1.00 0.00 N ATOM 0 H LYS A 11 -5.843 -1.920 -0.335 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.617 -0.152 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.199 -2.426 0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.642 -1.493 1.668 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.095 -2.590 3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.155 -3.152 1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.722 -4.296 1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.659 -4.347 2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.266 -5.167 1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.923 -6.212 1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.505 -7.146 3.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.466 -5.960 3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.145 -5.712 3.955 1.00 0.00 H new ATOM 182 N VAL A 12 -3.117 0.978 -0.041 1.00 0.00 N ATOM 183 CA VAL A 12 -2.548 1.802 -1.101 1.00 0.00 C ATOM 184 C VAL A 12 -1.079 1.443 -1.323 1.00 0.00 C ATOM 185 O VAL A 12 -0.340 1.251 -0.369 1.00 0.00 O ATOM 186 CB VAL A 12 -2.672 3.323 -0.806 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.051 4.081 -2.059 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.693 3.617 0.285 1.00 0.00 C ATOM 0 H VAL A 12 -2.811 1.220 0.901 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.122 1.593 -2.003 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.694 3.654 -0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.133 5.144 -1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.286 3.931 -2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.008 3.715 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.744 4.692 0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.672 3.252 -0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.395 3.117 1.207 1.00 0.00 H new ATOM 198 N GLN A 13 -0.668 1.333 -2.583 1.00 0.00 N ATOM 199 CA GLN A 13 0.711 0.978 -2.909 1.00 0.00 C ATOM 200 C GLN A 13 1.306 1.960 -3.911 1.00 0.00 C ATOM 201 O GLN A 13 0.652 2.337 -4.882 1.00 0.00 O ATOM 202 CB GLN A 13 0.776 -0.445 -3.470 1.00 0.00 C ATOM 203 CG GLN A 13 2.183 -1.017 -3.519 1.00 0.00 C ATOM 204 CD GLN A 13 2.441 -1.827 -4.773 1.00 0.00 C ATOM 205 OE1 GLN A 13 2.561 -1.276 -5.868 1.00 0.00 O ATOM 206 NE2 GLN A 13 2.527 -3.142 -4.620 1.00 0.00 N ATOM 0 H GLN A 13 -1.268 1.484 -3.394 1.00 0.00 H new ATOM 0 HA GLN A 13 1.297 1.026 -1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.149 -1.096 -2.860 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.356 -0.449 -4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.904 -0.202 -3.463 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.345 -1.647 -2.644 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.421 -3.556 -3.694 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.699 -3.739 -5.429 1.00 0.00 H new ATOM 215 N ILE A 14 2.540 2.391 -3.661 1.00 0.00 N ATOM 216 CA ILE A 14 3.192 3.352 -4.542 1.00 0.00 C ATOM 217 C ILE A 14 4.304 2.736 -5.391 1.00 0.00 C ATOM 218 O ILE A 14 4.846 3.411 -6.268 1.00 0.00 O ATOM 219 CB ILE A 14 3.769 4.538 -3.753 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.697 4.033 -2.641 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.644 5.400 -3.198 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.214 4.328 -1.240 1.00 0.00 C ATOM 0 H ILE A 14 3.102 2.093 -2.864 1.00 0.00 H new ATOM 0 HA ILE A 14 2.408 3.700 -5.215 1.00 0.00 H new ATOM 0 HB ILE A 14 4.362 5.160 -4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.821 2.956 -2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.681 4.482 -2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.067 6.236 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.038 5.781 -4.020 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.020 4.801 -2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.930 3.936 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.118 5.406 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.244 3.855 -1.082 1.00 0.00 H new ATOM 234 N GLY A 15 4.643 1.465 -5.165 1.00 0.00 N ATOM 235 CA GLY A 15 5.684 0.860 -5.983 1.00 0.00 C ATOM 236 C GLY A 15 6.292 -0.406 -5.409 1.00 0.00 C ATOM 237 O GLY A 15 6.044 -0.773 -4.260 1.00 0.00 O ATOM 0 H GLY A 15 4.231 0.861 -4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.269 0.633 -6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.478 1.591 -6.134 1.00 0.00 H new ATOM 241 N ALA A 16 7.124 -1.050 -6.229 1.00 0.00 N ATOM 242 CA ALA A 16 7.833 -2.265 -5.849 1.00 0.00 C ATOM 243 C ALA A 16 9.154 -2.346 -6.616 1.00 0.00 C ATOM 244 O ALA A 16 9.201 -2.039 -7.808 1.00 0.00 O ATOM 245 CB ALA A 16 6.972 -3.501 -6.099 1.00 0.00 C ATOM 0 H ALA A 16 7.324 -0.739 -7.180 1.00 0.00 H new ATOM 0 HA ALA A 16 8.049 -2.232 -4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.524 -4.394 -5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.057 -3.432 -5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.719 -3.560 -7.158 1.00 0.00 H new ATOM 251 N PHE A 17 10.223 -2.747 -5.938 1.00 0.00 N ATOM 252 CA PHE A 17 11.534 -2.846 -6.575 1.00 0.00 C ATOM 253 C PHE A 17 12.363 -3.962 -5.952 1.00 0.00 C ATOM 254 O PHE A 17 12.206 -4.282 -4.777 1.00 0.00 O ATOM 255 CB PHE A 17 12.287 -1.517 -6.459 1.00 0.00 C ATOM 256 CG PHE A 17 11.403 -0.308 -6.575 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.760 0.204 -5.460 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.216 0.314 -7.798 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.945 1.318 -5.563 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.403 1.427 -7.907 1.00 0.00 C ATOM 261 CZ PHE A 17 9.767 1.930 -6.789 1.00 0.00 C ATOM 0 H PHE A 17 10.210 -3.008 -4.952 1.00 0.00 H new ATOM 0 HA PHE A 17 11.376 -3.078 -7.628 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.805 -1.486 -5.501 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.050 -1.473 -7.236 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.896 -0.271 -4.500 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.710 -0.074 -8.676 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.449 1.708 -4.687 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.265 1.903 -8.867 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.132 2.800 -6.873 1.00 0.00 H new ATOM 271 N LYS A 18 13.246 -4.548 -6.751 1.00 0.00 N ATOM 272 CA LYS A 18 14.103 -5.634 -6.286 1.00 0.00 C ATOM 273 C LYS A 18 15.014 -5.196 -5.141 1.00 0.00 C ATOM 274 O LYS A 18 15.635 -6.032 -4.485 1.00 0.00 O ATOM 275 CB LYS A 18 14.947 -6.167 -7.445 1.00 0.00 C ATOM 276 CG LYS A 18 15.772 -7.392 -7.082 1.00 0.00 C ATOM 277 CD LYS A 18 15.993 -8.290 -8.289 1.00 0.00 C ATOM 278 CE LYS A 18 17.224 -9.164 -8.116 1.00 0.00 C ATOM 279 NZ LYS A 18 17.634 -9.806 -9.395 1.00 0.00 N ATOM 0 H LYS A 18 13.388 -4.289 -7.727 1.00 0.00 H new ATOM 0 HA LYS A 18 13.454 -6.424 -5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.290 -6.415 -8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.615 -5.378 -7.790 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.735 -7.078 -6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.266 -7.954 -6.297 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.117 -8.920 -8.440 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.103 -7.678 -9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 18 18.047 -8.560 -7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.021 -9.934 -7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.477 -10.393 -9.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.859 -10.402 -9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.853 -9.071 -10.098 1.00 0.00 H new ATOM 293 N VAL A 19 15.106 -3.890 -4.902 1.00 0.00 N ATOM 294 CA VAL A 19 15.957 -3.376 -3.836 1.00 0.00 C ATOM 295 C VAL A 19 15.140 -2.827 -2.670 1.00 0.00 C ATOM 296 O VAL A 19 14.226 -2.024 -2.857 1.00 0.00 O ATOM 297 CB VAL A 19 16.896 -2.270 -4.352 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.916 -1.893 -3.289 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.588 -2.710 -5.634 1.00 0.00 C ATOM 0 H VAL A 19 14.605 -3.174 -5.429 1.00 0.00 H new ATOM 0 HA VAL A 19 16.550 -4.220 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 19 16.297 -1.387 -4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.570 -1.110 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.399 -1.530 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.512 -2.768 -3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.247 -1.915 -5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.174 -3.609 -5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.839 -2.922 -6.397 1.00 0.00 H new ATOM 309 N LYS A 20 15.487 -3.269 -1.464 1.00 0.00 N ATOM 310 CA LYS A 20 14.807 -2.836 -0.255 1.00 0.00 C ATOM 311 C LYS A 20 15.179 -1.402 0.083 1.00 0.00 C ATOM 312 O LYS A 20 14.331 -0.622 0.511 1.00 0.00 O ATOM 313 CB LYS A 20 15.165 -3.755 0.915 1.00 0.00 C ATOM 314 CG LYS A 20 14.362 -3.477 2.177 1.00 0.00 C ATOM 315 CD LYS A 20 15.245 -2.953 3.299 1.00 0.00 C ATOM 316 CE LYS A 20 15.167 -1.437 3.407 1.00 0.00 C ATOM 317 NZ LYS A 20 15.543 -0.956 4.766 1.00 0.00 N ATOM 0 H LYS A 20 16.244 -3.934 -1.302 1.00 0.00 H new ATOM 0 HA LYS A 20 13.733 -2.887 -0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.006 -4.791 0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.226 -3.647 1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.580 -2.749 1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.865 -4.391 2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.940 -3.402 4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.278 -3.254 3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.828 -0.986 2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.155 -1.108 3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.724 0.068 4.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.766 -1.149 5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.401 -1.450 5.084 1.00 0.00 H new ATOM 331 N ALA A 21 16.444 -1.045 -0.129 1.00 0.00 N ATOM 332 CA ALA A 21 16.901 0.314 0.140 1.00 0.00 C ATOM 333 C ALA A 21 16.030 1.305 -0.616 1.00 0.00 C ATOM 334 O ALA A 21 15.731 2.397 -0.129 1.00 0.00 O ATOM 335 CB ALA A 21 18.361 0.474 -0.250 1.00 0.00 C ATOM 0 H ALA A 21 17.165 -1.673 -0.484 1.00 0.00 H new ATOM 0 HA ALA A 21 16.816 0.513 1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.683 1.494 -0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.970 -0.223 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.478 0.266 -1.314 1.00 0.00 H new ATOM 341 N ASN A 22 15.600 0.894 -1.804 1.00 0.00 N ATOM 342 CA ASN A 22 14.732 1.718 -2.626 1.00 0.00 C ATOM 343 C ASN A 22 13.323 1.686 -2.053 1.00 0.00 C ATOM 344 O ASN A 22 12.584 2.667 -2.138 1.00 0.00 O ATOM 345 CB ASN A 22 14.726 1.219 -4.072 1.00 0.00 C ATOM 346 CG ASN A 22 15.914 1.730 -4.865 1.00 0.00 C ATOM 347 OD1 ASN A 22 15.752 2.378 -5.898 1.00 0.00 O ATOM 348 ND2 ASN A 22 17.117 1.443 -4.381 1.00 0.00 N ATOM 0 H ASN A 22 15.841 -0.007 -2.217 1.00 0.00 H new ATOM 0 HA ASN A 22 15.104 2.743 -2.623 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.731 0.129 -4.077 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.804 1.536 -4.559 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.953 1.763 -4.870 1.00 0.00 H new ATOM 0 HD22 ASN A 22 17.205 0.903 -3.520 1.00 0.00 H new ATOM 355 N ALA A 23 12.965 0.553 -1.451 1.00 0.00 N ATOM 356 CA ALA A 23 11.650 0.399 -0.845 1.00 0.00 C ATOM 357 C ALA A 23 11.559 1.178 0.469 1.00 0.00 C ATOM 358 O ALA A 23 10.467 1.466 0.957 1.00 0.00 O ATOM 359 CB ALA A 23 11.343 -1.073 -0.610 1.00 0.00 C ATOM 0 H ALA A 23 13.567 -0.267 -1.372 1.00 0.00 H new ATOM 0 HA ALA A 23 10.909 0.806 -1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.357 -1.171 -0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.359 -1.605 -1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.093 -1.499 0.057 1.00 0.00 H new ATOM 365 N ASP A 24 12.718 1.515 1.034 1.00 0.00 N ATOM 366 CA ASP A 24 12.774 2.260 2.287 1.00 0.00 C ATOM 367 C ASP A 24 12.662 3.757 2.027 1.00 0.00 C ATOM 368 O ASP A 24 12.009 4.482 2.779 1.00 0.00 O ATOM 369 CB ASP A 24 14.077 1.955 3.029 1.00 0.00 C ATOM 370 CG ASP A 24 13.926 2.071 4.532 1.00 0.00 C ATOM 371 OD1 ASP A 24 13.093 1.338 5.104 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.644 2.896 5.138 1.00 0.00 O ATOM 0 H ASP A 24 13.630 1.283 0.642 1.00 0.00 H new ATOM 0 HA ASP A 24 11.933 1.950 2.907 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.409 0.948 2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.854 2.641 2.691 1.00 0.00 H new ATOM 377 N SER A 25 13.288 4.213 0.947 1.00 0.00 N ATOM 378 CA SER A 25 13.238 5.622 0.579 1.00 0.00 C ATOM 379 C SER A 25 11.827 5.985 0.141 1.00 0.00 C ATOM 380 O SER A 25 11.337 7.084 0.407 1.00 0.00 O ATOM 381 CB SER A 25 14.233 5.918 -0.545 1.00 0.00 C ATOM 382 OG SER A 25 14.575 7.293 -0.572 1.00 0.00 O ATOM 0 H SER A 25 13.834 3.629 0.314 1.00 0.00 H new ATOM 0 HA SER A 25 13.511 6.224 1.446 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.133 5.319 -0.406 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.802 5.628 -1.503 1.00 0.00 H new ATOM 0 HG SER A 25 15.213 7.457 -1.297 1.00 0.00 H new ATOM 388 N LEU A 26 11.173 5.038 -0.523 1.00 0.00 N ATOM 389 CA LEU A 26 9.812 5.229 -0.998 1.00 0.00 C ATOM 390 C LEU A 26 8.849 5.309 0.185 1.00 0.00 C ATOM 391 O LEU A 26 8.068 6.255 0.306 1.00 0.00 O ATOM 392 CB LEU A 26 9.424 4.082 -1.930 1.00 0.00 C ATOM 393 CG LEU A 26 8.025 4.173 -2.540 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.882 5.434 -3.377 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.733 2.941 -3.382 1.00 0.00 C ATOM 0 H LEU A 26 11.569 4.125 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 26 9.754 6.166 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.152 4.033 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.500 3.146 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 26 7.300 4.219 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.879 5.477 -3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.049 6.309 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.616 5.421 -4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.733 3.021 -3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.466 2.867 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.790 2.051 -2.756 1.00 0.00 H new ATOM 407 N ALA A 27 8.925 4.317 1.069 1.00 0.00 N ATOM 408 CA ALA A 27 8.075 4.289 2.253 1.00 0.00 C ATOM 409 C ALA A 27 8.304 5.536 3.102 1.00 0.00 C ATOM 410 O ALA A 27 7.432 5.956 3.861 1.00 0.00 O ATOM 411 CB ALA A 27 8.343 3.032 3.067 1.00 0.00 C ATOM 0 H ALA A 27 9.564 3.526 0.987 1.00 0.00 H new ATOM 0 HA ALA A 27 7.033 4.277 1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.701 3.025 3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.133 2.153 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.387 3.016 3.379 1.00 0.00 H new ATOM 417 N SER A 28 9.487 6.127 2.955 1.00 0.00 N ATOM 418 CA SER A 28 9.840 7.331 3.693 1.00 0.00 C ATOM 419 C SER A 28 9.056 8.528 3.168 1.00 0.00 C ATOM 420 O SER A 28 8.572 9.356 3.941 1.00 0.00 O ATOM 421 CB SER A 28 11.343 7.603 3.586 1.00 0.00 C ATOM 422 OG SER A 28 12.093 6.591 4.238 1.00 0.00 O ATOM 0 H SER A 28 10.218 5.788 2.329 1.00 0.00 H new ATOM 0 HA SER A 28 9.584 7.176 4.741 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.632 7.655 2.536 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.573 8.572 4.029 1.00 0.00 H new ATOM 0 HG SER A 28 11.815 5.712 3.905 1.00 0.00 H new ATOM 428 N ASN A 29 8.924 8.608 1.846 1.00 0.00 N ATOM 429 CA ASN A 29 8.188 9.701 1.221 1.00 0.00 C ATOM 430 C ASN A 29 6.745 9.717 1.707 1.00 0.00 C ATOM 431 O ASN A 29 6.213 10.765 2.073 1.00 0.00 O ATOM 432 CB ASN A 29 8.248 9.584 -0.310 1.00 0.00 C ATOM 433 CG ASN A 29 7.113 8.771 -0.911 1.00 0.00 C ATOM 434 OD1 ASN A 29 5.939 9.075 -0.714 1.00 0.00 O ATOM 435 ND2 ASN A 29 7.462 7.736 -1.658 1.00 0.00 N ATOM 0 H ASN A 29 9.316 7.932 1.190 1.00 0.00 H new ATOM 0 HA ASN A 29 8.655 10.643 1.508 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.233 10.585 -0.742 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.197 9.129 -0.593 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.745 7.157 -2.095 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.448 7.517 -1.797 1.00 0.00 H new ATOM 442 N ALA A 30 6.116 8.546 1.707 1.00 0.00 N ATOM 443 CA ALA A 30 4.736 8.428 2.149 1.00 0.00 C ATOM 444 C ALA A 30 4.597 8.884 3.593 1.00 0.00 C ATOM 445 O ALA A 30 3.642 9.574 3.950 1.00 0.00 O ATOM 446 CB ALA A 30 4.252 6.996 1.996 1.00 0.00 C ATOM 0 H ALA A 30 6.541 7.669 1.406 1.00 0.00 H new ATOM 0 HA ALA A 30 4.117 9.072 1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.217 6.924 2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.316 6.700 0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.875 6.335 2.598 1.00 0.00 H new ATOM 452 N GLU A 31 5.563 8.499 4.420 1.00 0.00 N ATOM 453 CA GLU A 31 5.552 8.875 5.827 1.00 0.00 C ATOM 454 C GLU A 31 5.466 10.390 5.967 1.00 0.00 C ATOM 455 O GLU A 31 4.799 10.908 6.863 1.00 0.00 O ATOM 456 CB GLU A 31 6.806 8.352 6.531 1.00 0.00 C ATOM 457 CG GLU A 31 6.788 8.551 8.035 1.00 0.00 C ATOM 458 CD GLU A 31 8.155 8.894 8.596 1.00 0.00 C ATOM 459 OE1 GLU A 31 9.135 8.214 8.228 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.244 9.842 9.404 1.00 0.00 O ATOM 0 H GLU A 31 6.361 7.928 4.140 1.00 0.00 H new ATOM 0 HA GLU A 31 4.677 8.427 6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.917 7.289 6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.681 8.854 6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.087 9.348 8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.421 7.643 8.513 1.00 0.00 H new ATOM 467 N ALA A 32 6.138 11.090 5.060 1.00 0.00 N ATOM 468 CA ALA A 32 6.137 12.548 5.055 1.00 0.00 C ATOM 469 C ALA A 32 4.711 13.077 5.053 1.00 0.00 C ATOM 470 O ALA A 32 4.342 13.901 5.891 1.00 0.00 O ATOM 471 CB ALA A 32 6.902 13.074 3.849 1.00 0.00 C ATOM 0 H ALA A 32 6.693 10.669 4.315 1.00 0.00 H new ATOM 0 HA ALA A 32 6.634 12.899 5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.892 14.164 3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.932 12.720 3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.430 12.716 2.934 1.00 0.00 H new ATOM 477 N LYS A 33 3.901 12.575 4.123 1.00 0.00 N ATOM 478 CA LYS A 33 2.507 12.984 4.046 1.00 0.00 C ATOM 479 C LYS A 33 1.794 12.577 5.326 1.00 0.00 C ATOM 480 O LYS A 33 0.836 13.221 5.756 1.00 0.00 O ATOM 481 CB LYS A 33 1.821 12.337 2.844 1.00 0.00 C ATOM 482 CG LYS A 33 2.053 13.074 1.538 1.00 0.00 C ATOM 483 CD LYS A 33 1.319 14.407 1.511 1.00 0.00 C ATOM 484 CE LYS A 33 2.284 15.578 1.599 1.00 0.00 C ATOM 485 NZ LYS A 33 1.835 16.730 0.770 1.00 0.00 N ATOM 0 H LYS A 33 4.185 11.892 3.421 1.00 0.00 H new ATOM 0 HA LYS A 33 2.462 14.066 3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.179 11.313 2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.749 12.283 3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.121 13.243 1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.717 12.456 0.706 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.736 14.483 0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.614 14.452 2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.379 15.893 2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.273 15.259 1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.520 17.508 0.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.769 16.436 -0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.902 17.051 1.099 1.00 0.00 H new ATOM 499 N GLY A 34 2.291 11.505 5.939 1.00 0.00 N ATOM 500 CA GLY A 34 1.724 11.020 7.175 1.00 0.00 C ATOM 501 C GLY A 34 0.975 9.717 6.997 1.00 0.00 C ATOM 502 O GLY A 34 -0.010 9.459 7.691 1.00 0.00 O ATOM 0 H GLY A 34 3.083 10.963 5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.520 10.881 7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.047 11.772 7.580 1.00 0.00 H new ATOM 506 N PHE A 35 1.447 8.891 6.072 1.00 0.00 N ATOM 507 CA PHE A 35 0.821 7.606 5.815 1.00 0.00 C ATOM 508 C PHE A 35 1.603 6.482 6.477 1.00 0.00 C ATOM 509 O PHE A 35 2.797 6.617 6.751 1.00 0.00 O ATOM 510 CB PHE A 35 0.730 7.360 4.312 1.00 0.00 C ATOM 511 CG PHE A 35 0.194 8.532 3.547 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.758 9.371 4.108 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.649 8.798 2.270 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.245 10.453 3.404 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.166 9.882 1.560 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.783 10.708 2.128 1.00 0.00 C ATOM 0 H PHE A 35 2.260 9.090 5.489 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.183 7.624 6.238 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.721 7.110 3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.092 6.495 4.131 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.122 9.175 5.106 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.390 8.153 1.821 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.986 11.099 3.850 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.531 10.082 0.563 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.164 11.553 1.575 1.00 0.00 H new ATOM 526 N ASP A 36 0.930 5.366 6.715 1.00 0.00 N ATOM 527 CA ASP A 36 1.567 4.213 7.327 1.00 0.00 C ATOM 528 C ASP A 36 2.266 3.389 6.257 1.00 0.00 C ATOM 529 O ASP A 36 1.651 2.527 5.627 1.00 0.00 O ATOM 530 CB ASP A 36 0.534 3.356 8.063 1.00 0.00 C ATOM 531 CG ASP A 36 0.447 3.696 9.537 1.00 0.00 C ATOM 532 OD1 ASP A 36 0.115 4.855 9.860 1.00 0.00 O ATOM 533 OD2 ASP A 36 0.710 2.802 10.368 1.00 0.00 O ATOM 0 H ASP A 36 -0.057 5.236 6.493 1.00 0.00 H new ATOM 0 HA ASP A 36 2.303 4.560 8.052 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.444 3.495 7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.793 2.303 7.950 1.00 0.00 H new ATOM 538 N SER A 37 3.546 3.670 6.031 1.00 0.00 N ATOM 539 CA SER A 37 4.304 2.963 5.010 1.00 0.00 C ATOM 540 C SER A 37 4.773 1.610 5.518 1.00 0.00 C ATOM 541 O SER A 37 4.875 1.383 6.724 1.00 0.00 O ATOM 542 CB SER A 37 5.505 3.798 4.567 1.00 0.00 C ATOM 543 OG SER A 37 6.485 3.866 5.588 1.00 0.00 O ATOM 0 H SER A 37 4.075 4.378 6.539 1.00 0.00 H new ATOM 0 HA SER A 37 3.647 2.801 4.155 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.942 3.363 3.668 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.176 4.804 4.307 1.00 0.00 H new ATOM 0 HG SER A 37 7.141 4.560 5.366 1.00 0.00 H new ATOM 549 N ILE A 38 5.032 0.708 4.583 1.00 0.00 N ATOM 550 CA ILE A 38 5.465 -0.638 4.917 1.00 0.00 C ATOM 551 C ILE A 38 6.176 -1.282 3.729 1.00 0.00 C ATOM 552 O ILE A 38 5.779 -1.094 2.580 1.00 0.00 O ATOM 553 CB ILE A 38 4.254 -1.502 5.329 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.608 -2.993 5.324 1.00 0.00 C ATOM 555 CG2 ILE A 38 3.079 -1.221 4.402 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.953 -3.775 6.441 1.00 0.00 C ATOM 0 H ILE A 38 4.949 0.887 3.582 1.00 0.00 H new ATOM 0 HA ILE A 38 6.161 -0.576 5.753 1.00 0.00 H new ATOM 0 HB ILE A 38 3.971 -1.237 6.348 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.312 -3.425 4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.690 -3.101 5.402 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.227 -1.834 4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.808 -0.167 4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.359 -1.461 3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.249 -4.822 6.374 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.268 -3.369 7.402 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.869 -3.698 6.352 1.00 0.00 H new ATOM 568 N VAL A 39 7.226 -2.042 4.014 1.00 0.00 N ATOM 569 CA VAL A 39 7.988 -2.708 2.967 1.00 0.00 C ATOM 570 C VAL A 39 7.864 -4.224 3.075 1.00 0.00 C ATOM 571 O VAL A 39 8.374 -4.831 4.016 1.00 0.00 O ATOM 572 CB VAL A 39 9.478 -2.323 3.025 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.221 -2.884 1.821 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.636 -0.811 3.103 1.00 0.00 C ATOM 0 H VAL A 39 7.568 -2.212 4.960 1.00 0.00 H new ATOM 0 HA VAL A 39 7.571 -2.378 2.016 1.00 0.00 H new ATOM 0 HB VAL A 39 9.913 -2.757 3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.272 -2.602 1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.136 -3.971 1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.787 -2.481 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.695 -0.557 3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.186 -0.352 2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.140 -0.439 3.999 1.00 0.00 H new ATOM 584 N LEU A 40 7.189 -4.834 2.103 1.00 0.00 N ATOM 585 CA LEU A 40 7.008 -6.281 2.094 1.00 0.00 C ATOM 586 C LEU A 40 7.875 -6.921 1.016 1.00 0.00 C ATOM 587 O LEU A 40 7.798 -6.557 -0.154 1.00 0.00 O ATOM 588 CB LEU A 40 5.531 -6.639 1.863 1.00 0.00 C ATOM 589 CG LEU A 40 5.268 -7.854 0.956 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.012 -9.083 1.462 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.773 -8.135 0.868 1.00 0.00 C ATOM 0 H LEU A 40 6.760 -4.349 1.315 1.00 0.00 H new ATOM 0 HA LEU A 40 7.314 -6.669 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.067 -6.826 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.030 -5.772 1.431 1.00 0.00 H new ATOM 0 HG LEU A 40 5.640 -7.621 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.809 -9.928 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.083 -8.881 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.677 -9.321 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.602 -8.997 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.383 -8.344 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.263 -7.265 0.454 1.00 0.00 H new ATOM 682 N TYR A 46 10.830 -6.164 -3.598 1.00 0.00 N ATOM 683 CA TYR A 46 10.335 -5.474 -2.411 1.00 0.00 C ATOM 684 C TYR A 46 9.266 -4.468 -2.822 1.00 0.00 C ATOM 685 O TYR A 46 9.402 -3.798 -3.842 1.00 0.00 O ATOM 686 CB TYR A 46 11.476 -4.741 -1.697 1.00 0.00 C ATOM 687 CG TYR A 46 12.386 -5.648 -0.903 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.228 -6.546 -1.541 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.403 -5.605 0.485 1.00 0.00 C ATOM 690 CE1 TYR A 46 14.061 -7.379 -0.820 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.235 -6.433 1.214 1.00 0.00 C ATOM 692 CZ TYR A 46 14.061 -7.318 0.558 1.00 0.00 C ATOM 693 OH TYR A 46 14.893 -8.145 1.282 1.00 0.00 O ATOM 0 HA TYR A 46 9.912 -6.211 -1.728 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.070 -4.205 -2.438 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.051 -3.993 -1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.233 -6.595 -2.620 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.755 -4.913 1.003 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.709 -8.075 -1.333 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.237 -6.386 2.293 1.00 0.00 H new ATOM 0 HH TYR A 46 14.771 -7.975 2.239 1.00 0.00 H new ATOM 703 N LYS A 47 8.201 -4.362 -2.040 1.00 0.00 N ATOM 704 CA LYS A 47 7.125 -3.427 -2.362 1.00 0.00 C ATOM 705 C LYS A 47 6.891 -2.439 -1.237 1.00 0.00 C ATOM 706 O LYS A 47 7.259 -2.682 -0.090 1.00 0.00 O ATOM 707 CB LYS A 47 5.834 -4.180 -2.671 1.00 0.00 C ATOM 708 CG LYS A 47 6.029 -5.351 -3.617 1.00 0.00 C ATOM 709 CD LYS A 47 6.303 -6.631 -2.855 1.00 0.00 C ATOM 710 CE LYS A 47 5.013 -7.323 -2.460 1.00 0.00 C ATOM 711 NZ LYS A 47 4.141 -6.452 -1.625 1.00 0.00 N ATOM 0 H LYS A 47 8.057 -4.903 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 47 7.432 -2.868 -3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.403 -4.544 -1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.114 -3.487 -3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.139 -5.475 -4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.859 -5.142 -4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.904 -7.301 -3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.887 -6.407 -1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.473 -7.621 -3.358 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.245 -8.235 -1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.311 -6.993 -1.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.674 -6.119 -0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.827 -5.635 -2.186 1.00 0.00 H new ATOM 725 N VAL A 48 6.273 -1.316 -1.583 1.00 0.00 N ATOM 726 CA VAL A 48 5.983 -0.276 -0.616 1.00 0.00 C ATOM 727 C VAL A 48 4.492 0.039 -0.572 1.00 0.00 C ATOM 728 O VAL A 48 3.920 0.540 -1.542 1.00 0.00 O ATOM 729 CB VAL A 48 6.778 1.003 -0.927 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.438 2.110 0.060 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.270 0.710 -0.912 1.00 0.00 C ATOM 0 H VAL A 48 5.964 -1.106 -2.532 1.00 0.00 H new ATOM 0 HA VAL A 48 6.287 -0.649 0.362 1.00 0.00 H new ATOM 0 HB VAL A 48 6.499 1.347 -1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.014 3.003 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.374 2.337 -0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.683 1.784 1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.822 1.623 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.558 0.341 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.500 -0.045 -1.664 1.00 0.00 H new ATOM 741 N GLN A 49 3.872 -0.263 0.562 1.00 0.00 N ATOM 742 CA GLN A 49 2.448 -0.023 0.748 1.00 0.00 C ATOM 743 C GLN A 49 2.214 1.069 1.787 1.00 0.00 C ATOM 744 O GLN A 49 2.868 1.101 2.830 1.00 0.00 O ATOM 745 CB GLN A 49 1.755 -1.320 1.176 1.00 0.00 C ATOM 746 CG GLN A 49 0.243 -1.212 1.268 1.00 0.00 C ATOM 747 CD GLN A 49 -0.428 -2.562 1.415 1.00 0.00 C ATOM 748 OE1 GLN A 49 -1.057 -3.059 0.479 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.296 -3.165 2.591 1.00 0.00 N ATOM 0 H GLN A 49 4.337 -0.677 1.370 1.00 0.00 H new ATOM 0 HA GLN A 49 2.025 0.313 -0.199 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.010 -2.107 0.467 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.147 -1.626 2.146 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.022 -0.584 2.119 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.137 -0.716 0.375 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.234 -2.716 3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.725 -4.077 2.747 1.00 0.00 H new ATOM 758 N ILE A 50 1.273 1.962 1.498 1.00 0.00 N ATOM 759 CA ILE A 50 0.943 3.050 2.402 1.00 0.00 C ATOM 760 C ILE A 50 -0.567 3.208 2.559 1.00 0.00 C ATOM 761 O ILE A 50 -1.300 3.386 1.590 1.00 0.00 O ATOM 762 CB ILE A 50 1.581 4.373 1.950 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.270 4.675 0.480 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.084 4.300 2.175 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.234 5.755 0.293 1.00 0.00 C ATOM 0 H ILE A 50 0.724 1.950 0.638 1.00 0.00 H new ATOM 0 HA ILE A 50 1.358 2.792 3.376 1.00 0.00 H new ATOM 0 HB ILE A 50 1.159 5.186 2.541 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.189 4.974 -0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.923 3.762 -0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.545 5.235 1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.286 4.137 3.234 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.499 3.475 1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.064 5.916 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.699 5.450 0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.587 6.680 0.748 1.00 0.00 H new ATOM 777 N GLY A 51 -1.005 3.144 3.809 1.00 0.00 N ATOM 778 CA GLY A 51 -2.413 3.281 4.131 1.00 0.00 C ATOM 779 C GLY A 51 -3.208 2.018 3.869 1.00 0.00 C ATOM 780 O GLY A 51 -3.549 1.715 2.724 1.00 0.00 O ATOM 0 H GLY A 51 -0.400 2.997 4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.514 3.556 5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.836 4.097 3.545 1.00 0.00 H new ATOM 784 N ALA A 52 -3.515 1.285 4.933 1.00 0.00 N ATOM 785 CA ALA A 52 -4.291 0.054 4.822 1.00 0.00 C ATOM 786 C ALA A 52 -5.498 0.108 5.751 1.00 0.00 C ATOM 787 O ALA A 52 -5.353 0.272 6.960 1.00 0.00 O ATOM 788 CB ALA A 52 -3.421 -1.152 5.148 1.00 0.00 C ATOM 0 H ALA A 52 -3.238 1.522 5.885 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.646 -0.045 3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.014 -2.063 5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.584 -1.196 4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.041 -1.062 6.166 1.00 0.00 H new ATOM 794 N PHE A 53 -6.693 -0.012 5.178 1.00 0.00 N ATOM 795 CA PHE A 53 -7.917 0.046 5.971 1.00 0.00 C ATOM 796 C PHE A 53 -8.954 -0.958 5.477 1.00 0.00 C ATOM 797 O PHE A 53 -8.763 -1.622 4.456 1.00 0.00 O ATOM 798 CB PHE A 53 -8.510 1.459 5.926 1.00 0.00 C ATOM 799 CG PHE A 53 -7.478 2.550 5.927 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.668 2.756 4.820 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.317 3.370 7.032 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.717 3.758 4.818 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.368 4.375 7.035 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.567 4.570 5.926 1.00 0.00 C ATOM 0 H PHE A 53 -6.839 -0.149 4.178 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.656 -0.210 6.998 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.127 1.556 5.032 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.169 1.594 6.784 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.782 2.126 3.950 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.940 3.222 7.901 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.091 3.907 3.951 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.253 5.007 7.903 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.825 5.355 5.925 1.00 0.00 H new ATOM 814 N SER A 54 -10.057 -1.056 6.216 1.00 0.00 N ATOM 815 CA SER A 54 -11.138 -1.968 5.867 1.00 0.00 C ATOM 816 C SER A 54 -12.087 -1.330 4.855 1.00 0.00 C ATOM 817 O SER A 54 -12.885 -2.021 4.223 1.00 0.00 O ATOM 818 CB SER A 54 -11.912 -2.377 7.122 1.00 0.00 C ATOM 819 OG SER A 54 -11.115 -3.184 7.972 1.00 0.00 O ATOM 0 H SER A 54 -10.224 -0.512 7.063 1.00 0.00 H new ATOM 0 HA SER A 54 -10.698 -2.856 5.413 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.236 -1.486 7.660 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.812 -2.922 6.837 1.00 0.00 H new ATOM 0 HG SER A 54 -11.631 -3.431 8.767 1.00 0.00 H new ATOM 825 N SER A 55 -11.998 -0.010 4.705 1.00 0.00 N ATOM 826 CA SER A 55 -12.852 0.715 3.769 1.00 0.00 C ATOM 827 C SER A 55 -12.036 1.287 2.609 1.00 0.00 C ATOM 828 O SER A 55 -11.034 1.970 2.820 1.00 0.00 O ATOM 829 CB SER A 55 -13.595 1.841 4.492 1.00 0.00 C ATOM 830 OG SER A 55 -14.973 1.540 4.622 1.00 0.00 O ATOM 0 H SER A 55 -11.343 0.578 5.220 1.00 0.00 H new ATOM 0 HA SER A 55 -13.578 0.012 3.362 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.158 1.994 5.479 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.473 2.774 3.941 1.00 0.00 H new ATOM 0 HG SER A 55 -15.425 2.274 5.089 1.00 0.00 H new ATOM 836 N LYS A 56 -12.475 1.000 1.386 1.00 0.00 N ATOM 837 CA LYS A 56 -11.792 1.480 0.191 1.00 0.00 C ATOM 838 C LYS A 56 -11.671 2.999 0.196 1.00 0.00 C ATOM 839 O LYS A 56 -10.677 3.554 -0.277 1.00 0.00 O ATOM 840 CB LYS A 56 -12.535 1.023 -1.066 1.00 0.00 C ATOM 841 CG LYS A 56 -11.659 0.987 -2.305 1.00 0.00 C ATOM 842 CD LYS A 56 -11.892 2.201 -3.190 1.00 0.00 C ATOM 843 CE LYS A 56 -11.230 2.036 -4.548 1.00 0.00 C ATOM 844 NZ LYS A 56 -11.978 1.087 -5.420 1.00 0.00 N ATOM 0 H LYS A 56 -13.303 0.435 1.198 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.788 1.056 0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.948 0.029 -0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.377 1.692 -1.245 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.611 0.947 -2.009 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.865 0.078 -2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.963 2.356 -3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.500 3.091 -2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.165 3.006 -5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.210 1.678 -4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.586 1.117 -6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.890 0.123 -5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.982 1.358 -5.447 1.00 0.00 H new ATOM 858 N ASP A 57 -12.684 3.672 0.730 1.00 0.00 N ATOM 859 CA ASP A 57 -12.689 5.130 0.793 1.00 0.00 C ATOM 860 C ASP A 57 -11.403 5.654 1.426 1.00 0.00 C ATOM 861 O ASP A 57 -10.928 6.738 1.086 1.00 0.00 O ATOM 862 CB ASP A 57 -13.900 5.626 1.584 1.00 0.00 C ATOM 863 CG ASP A 57 -14.135 7.112 1.410 1.00 0.00 C ATOM 864 OD1 ASP A 57 -14.581 7.520 0.316 1.00 0.00 O ATOM 865 OD2 ASP A 57 -13.875 7.872 2.368 1.00 0.00 O ATOM 0 H ASP A 57 -13.514 3.231 1.126 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.751 5.510 -0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.788 5.081 1.264 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.755 5.405 2.642 1.00 0.00 H new ATOM 870 N ASN A 58 -10.844 4.876 2.346 1.00 0.00 N ATOM 871 CA ASN A 58 -9.612 5.261 3.024 1.00 0.00 C ATOM 872 C ASN A 58 -8.423 5.157 2.075 1.00 0.00 C ATOM 873 O ASN A 58 -7.631 6.092 1.951 1.00 0.00 O ATOM 874 CB ASN A 58 -9.382 4.381 4.253 1.00 0.00 C ATOM 875 CG ASN A 58 -10.345 4.698 5.380 1.00 0.00 C ATOM 876 OD1 ASN A 58 -9.986 5.366 6.349 1.00 0.00 O ATOM 877 ND2 ASN A 58 -11.578 4.218 5.259 1.00 0.00 N ATOM 0 H ASN A 58 -11.224 3.976 2.639 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.709 6.297 3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.489 3.333 3.971 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.359 4.514 4.605 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.269 4.399 5.987 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.833 3.669 4.438 1.00 0.00 H new ATOM 884 N ALA A 59 -8.308 4.016 1.404 1.00 0.00 N ATOM 885 CA ALA A 59 -7.221 3.787 0.462 1.00 0.00 C ATOM 886 C ALA A 59 -7.245 4.814 -0.661 1.00 0.00 C ATOM 887 O ALA A 59 -6.203 5.328 -1.060 1.00 0.00 O ATOM 888 CB ALA A 59 -7.310 2.379 -0.103 1.00 0.00 C ATOM 0 H ALA A 59 -8.957 3.234 1.496 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.276 3.896 0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.493 2.217 -0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.238 1.656 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.262 2.253 -0.618 1.00 0.00 H new ATOM 894 N ASP A 60 -8.436 5.113 -1.170 1.00 0.00 N ATOM 895 CA ASP A 60 -8.580 6.083 -2.249 1.00 0.00 C ATOM 896 C ASP A 60 -8.059 7.452 -1.820 1.00 0.00 C ATOM 897 O ASP A 60 -7.255 8.068 -2.519 1.00 0.00 O ATOM 898 CB ASP A 60 -10.045 6.193 -2.673 1.00 0.00 C ATOM 899 CG ASP A 60 -10.429 5.152 -3.708 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.660 4.184 -3.892 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.497 5.305 -4.338 1.00 0.00 O ATOM 0 H ASP A 60 -9.313 4.699 -0.854 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.989 5.737 -3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.683 6.082 -1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.229 7.188 -3.077 1.00 0.00 H new ATOM 906 N THR A 61 -8.524 7.923 -0.667 1.00 0.00 N ATOM 907 CA THR A 61 -8.105 9.218 -0.143 1.00 0.00 C ATOM 908 C THR A 61 -6.592 9.262 0.048 1.00 0.00 C ATOM 909 O THR A 61 -5.952 10.283 -0.199 1.00 0.00 O ATOM 910 CB THR A 61 -8.807 9.509 1.183 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.189 9.212 1.096 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.673 10.947 1.630 1.00 0.00 C ATOM 0 H THR A 61 -9.192 7.426 -0.077 1.00 0.00 H new ATOM 0 HA THR A 61 -8.385 9.983 -0.867 1.00 0.00 H new ATOM 0 HB THR A 61 -8.312 8.872 1.916 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.340 8.279 1.354 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.194 11.084 2.577 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.618 11.192 1.758 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.109 11.604 0.878 1.00 0.00 H new ATOM 920 N LEU A 62 -6.025 8.137 0.473 1.00 0.00 N ATOM 921 CA LEU A 62 -4.586 8.028 0.688 1.00 0.00 C ATOM 922 C LEU A 62 -3.859 8.090 -0.628 1.00 0.00 C ATOM 923 O LEU A 62 -2.897 8.838 -0.802 1.00 0.00 O ATOM 924 CB LEU A 62 -4.253 6.680 1.311 1.00 0.00 C ATOM 925 CG LEU A 62 -3.035 6.674 2.229 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.871 7.381 1.560 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.366 7.324 3.563 1.00 0.00 C ATOM 0 H LEU A 62 -6.544 7.283 0.676 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.283 8.847 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.118 6.336 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.089 5.958 0.511 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.748 5.640 2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.008 7.370 2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.620 6.869 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.148 8.412 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.484 7.310 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.678 8.355 3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.174 6.774 4.045 1.00 0.00 H new ATOM 939 N ALA A 63 -4.314 7.249 -1.540 1.00 0.00 N ATOM 940 CA ALA A 63 -3.706 7.147 -2.836 1.00 0.00 C ATOM 941 C ALA A 63 -3.637 8.508 -3.518 1.00 0.00 C ATOM 942 O ALA A 63 -2.555 9.001 -3.840 1.00 0.00 O ATOM 943 CB ALA A 63 -4.454 6.145 -3.703 1.00 0.00 C ATOM 0 H ALA A 63 -5.109 6.626 -1.396 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.685 6.788 -2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.977 6.083 -4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.434 5.165 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.488 6.469 -3.824 1.00 0.00 H new ATOM 949 N ALA A 64 -4.805 9.117 -3.727 1.00 0.00 N ATOM 950 CA ALA A 64 -4.883 10.429 -4.360 1.00 0.00 C ATOM 951 C ALA A 64 -3.947 11.410 -3.665 1.00 0.00 C ATOM 952 O ALA A 64 -3.323 12.255 -4.305 1.00 0.00 O ATOM 953 CB ALA A 64 -6.312 10.946 -4.334 1.00 0.00 C ATOM 0 H ALA A 64 -5.708 8.721 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.571 10.332 -5.400 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.353 11.926 -4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.959 10.254 -4.872 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.650 11.030 -3.301 1.00 0.00 H new ATOM 959 N ARG A 65 -3.843 11.275 -2.347 1.00 0.00 N ATOM 960 CA ARG A 65 -2.969 12.128 -1.558 1.00 0.00 C ATOM 961 C ARG A 65 -1.518 11.866 -1.931 1.00 0.00 C ATOM 962 O ARG A 65 -0.713 12.793 -2.033 1.00 0.00 O ATOM 963 CB ARG A 65 -3.184 11.867 -0.068 1.00 0.00 C ATOM 964 CG ARG A 65 -2.915 13.074 0.811 1.00 0.00 C ATOM 965 CD ARG A 65 -3.378 12.828 2.239 1.00 0.00 C ATOM 966 NE ARG A 65 -4.153 13.949 2.764 1.00 0.00 N ATOM 967 CZ ARG A 65 -4.445 14.109 4.053 1.00 0.00 C ATOM 968 NH1 ARG A 65 -4.027 13.226 4.950 1.00 0.00 N ATOM 969 NH2 ARG A 65 -5.159 15.155 4.446 1.00 0.00 N ATOM 0 H ARG A 65 -4.356 10.580 -1.804 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.207 13.171 -1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.211 11.537 0.089 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.535 11.049 0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.849 13.301 0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.428 13.945 0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.983 11.922 2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.511 12.657 2.877 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.490 14.650 2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.478 12.419 4.654 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.254 13.354 5.936 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.484 15.837 3.761 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.383 15.278 5.434 1.00 0.00 H new ATOM 983 N ALA A 66 -1.193 10.595 -2.151 1.00 0.00 N ATOM 984 CA ALA A 66 0.154 10.209 -2.536 1.00 0.00 C ATOM 985 C ALA A 66 0.478 10.788 -3.901 1.00 0.00 C ATOM 986 O ALA A 66 1.573 11.303 -4.123 1.00 0.00 O ATOM 987 CB ALA A 66 0.302 8.696 -2.531 1.00 0.00 C ATOM 0 H ALA A 66 -1.847 9.817 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 66 0.862 10.609 -1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.318 8.429 -2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.099 8.314 -1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.404 8.259 -3.237 1.00 0.00 H new ATOM 993 N LYS A 67 -0.492 10.724 -4.806 1.00 0.00 N ATOM 994 CA LYS A 67 -0.316 11.267 -6.141 1.00 0.00 C ATOM 995 C LYS A 67 -0.067 12.765 -6.059 1.00 0.00 C ATOM 996 O LYS A 67 0.859 13.290 -6.678 1.00 0.00 O ATOM 997 CB LYS A 67 -1.539 10.973 -7.003 1.00 0.00 C ATOM 998 CG LYS A 67 -1.641 9.518 -7.423 1.00 0.00 C ATOM 999 CD LYS A 67 -0.507 9.120 -8.356 1.00 0.00 C ATOM 1000 CE LYS A 67 -0.675 9.740 -9.734 1.00 0.00 C ATOM 1001 NZ LYS A 67 -1.443 8.854 -10.651 1.00 0.00 N ATOM 0 H LYS A 67 -1.405 10.302 -4.637 1.00 0.00 H new ATOM 0 HA LYS A 67 0.548 10.791 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.438 11.249 -6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.506 11.600 -7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.624 8.882 -6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.597 9.349 -7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.445 9.434 -7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.473 8.034 -8.446 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.187 10.698 -9.641 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.306 9.943 -10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.536 9.313 -11.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.942 7.949 -10.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.389 8.680 -10.255 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.889 13.442 -5.265 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.750 14.876 -5.065 1.00 0.00 C ATOM 1017 C ASN A 68 0.512 15.164 -4.255 1.00 0.00 C ATOM 1018 O ASN A 68 1.094 16.245 -4.344 1.00 0.00 O ATOM 1019 CB ASN A 68 -1.976 15.429 -4.339 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.204 16.900 -4.625 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -2.820 17.262 -5.627 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -1.707 17.758 -3.742 1.00 0.00 N ATOM 0 H ASN A 68 -1.660 13.018 -4.749 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.670 15.363 -6.037 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.858 14.863 -4.638 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.854 15.285 -3.265 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.830 18.761 -3.881 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -1.203 17.414 -2.925 1.00 0.00 H new ATOM 1029 N ALA A 69 0.923 14.174 -3.464 1.00 0.00 N ATOM 1030 CA ALA A 69 2.111 14.287 -2.628 1.00 0.00 C ATOM 1031 C ALA A 69 3.386 14.139 -3.451 1.00 0.00 C ATOM 1032 O ALA A 69 4.456 14.585 -3.042 1.00 0.00 O ATOM 1033 CB ALA A 69 2.072 13.229 -1.537 1.00 0.00 C ATOM 0 H ALA A 69 0.443 13.277 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 69 2.116 15.279 -2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.962 13.316 -0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.183 13.372 -0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.043 12.239 -1.991 1.00 0.00 H new ATOM 1039 N GLY A 70 3.265 13.498 -4.611 1.00 0.00 N ATOM 1040 CA GLY A 70 4.414 13.285 -5.465 1.00 0.00 C ATOM 1041 C GLY A 70 4.785 11.820 -5.538 1.00 0.00 C ATOM 1042 O GLY A 70 5.929 11.469 -5.825 1.00 0.00 O ATOM 0 H GLY A 70 2.388 13.123 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.199 13.657 -6.466 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.261 13.858 -5.087 1.00 0.00 H new ATOM 1046 N PHE A 71 3.806 10.963 -5.264 1.00 0.00 N ATOM 1047 CA PHE A 71 4.009 9.525 -5.278 1.00 0.00 C ATOM 1048 C PHE A 71 2.920 8.858 -6.108 1.00 0.00 C ATOM 1049 O PHE A 71 1.788 9.330 -6.143 1.00 0.00 O ATOM 1050 CB PHE A 71 3.969 8.983 -3.849 1.00 0.00 C ATOM 1051 CG PHE A 71 4.479 9.955 -2.819 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.711 10.570 -2.978 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.722 10.260 -1.696 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.181 11.466 -2.039 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.187 11.159 -0.754 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.418 11.763 -0.925 1.00 0.00 C ATOM 0 H PHE A 71 2.855 11.248 -5.028 1.00 0.00 H new ATOM 0 HA PHE A 71 4.982 9.307 -5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.943 8.710 -3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.562 8.070 -3.799 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.311 10.345 -3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.760 9.790 -1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.144 11.935 -2.175 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.588 11.389 0.115 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.783 12.465 -0.190 1.00 0.00 H new ATOM 1066 N ASP A 72 3.254 7.761 -6.766 1.00 0.00 N ATOM 1067 CA ASP A 72 2.277 7.049 -7.582 1.00 0.00 C ATOM 1068 C ASP A 72 1.567 5.981 -6.761 1.00 0.00 C ATOM 1069 O ASP A 72 1.822 4.790 -6.931 1.00 0.00 O ATOM 1070 CB ASP A 72 2.961 6.413 -8.794 1.00 0.00 C ATOM 1071 CG ASP A 72 1.973 5.726 -9.718 1.00 0.00 C ATOM 1072 OD1 ASP A 72 0.993 6.382 -10.134 1.00 0.00 O ATOM 1073 OD2 ASP A 72 2.179 4.535 -10.026 1.00 0.00 O ATOM 0 H ASP A 72 4.185 7.344 -6.754 1.00 0.00 H new ATOM 0 HA ASP A 72 1.535 7.766 -7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.500 7.181 -9.349 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.700 5.688 -8.453 1.00 0.00 H new ATOM 1078 N ALA A 73 0.671 6.408 -5.868 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.064 5.469 -5.029 1.00 0.00 C ATOM 1080 C ALA A 73 -1.311 4.940 -5.727 1.00 0.00 C ATOM 1081 O ALA A 73 -2.025 5.682 -6.403 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.452 6.125 -3.715 1.00 0.00 C ATOM 0 H ALA A 73 0.441 7.389 -5.711 1.00 0.00 H new ATOM 0 HA ALA A 73 0.596 4.624 -4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.000 5.411 -3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.447 6.443 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.082 6.992 -3.913 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.573 3.653 -5.535 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.737 3.004 -6.117 1.00 0.00 C ATOM 1090 C ILE A 74 -3.453 2.179 -5.056 1.00 0.00 C ATOM 1091 O ILE A 74 -2.828 1.692 -4.119 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.353 2.090 -7.297 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.320 1.054 -6.851 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.817 2.919 -8.455 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.533 -0.313 -7.467 1.00 0.00 C ATOM 0 H ILE A 74 -0.987 3.034 -4.974 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.396 3.787 -6.494 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.245 1.563 -7.636 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.323 1.410 -7.112 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.352 0.964 -5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.550 2.260 -9.281 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.582 3.622 -8.784 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.934 3.470 -8.130 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.765 -0.998 -7.107 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.516 -0.690 -7.185 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.471 -0.237 -8.553 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.760 2.018 -5.204 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.538 1.244 -4.244 1.00 0.00 C ATOM 1109 C VAL A 75 -5.889 -0.128 -4.806 1.00 0.00 C ATOM 1110 O VAL A 75 -6.286 -0.253 -5.964 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.827 1.982 -3.830 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.680 1.115 -2.910 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.484 3.302 -3.157 1.00 0.00 C ATOM 0 H VAL A 75 -5.302 2.410 -5.974 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.916 1.117 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.408 2.189 -4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.583 1.658 -2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.954 0.196 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.113 0.870 -2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.403 3.813 -2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.881 3.112 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.922 3.928 -3.850 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.732 -1.153 -3.978 1.00 0.00 N ATOM 1124 CA ILE A 76 -6.028 -2.516 -4.393 1.00 0.00 C ATOM 1125 C ILE A 76 -6.795 -3.269 -3.311 1.00 0.00 C ATOM 1126 O ILE A 76 -6.504 -3.138 -2.118 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.739 -3.293 -4.724 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.735 -3.172 -3.575 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.131 -2.781 -6.021 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -2.746 -4.314 -3.514 1.00 0.00 C ATOM 0 H ILE A 76 -5.402 -1.066 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.645 -2.446 -5.289 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.990 -4.346 -4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.189 -2.234 -3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.279 -3.122 -2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.221 -3.339 -6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.844 -2.913 -6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.891 -1.723 -5.918 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.066 -4.162 -2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.283 -5.253 -3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.176 -4.351 -4.442 1.00 0.00 H new