USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 766 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 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.723 K(o=0.72,f=-1.3) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 164:sc= -0.726 (180deg=-1.29) USER MOD Single : A 24 GLN : amide:sc= -0.043 X(o=-0.043,f=-0.048) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 130:sc= 0.23 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -19:sc= 0.2 USER MOD Single : A 71 ASN : amide:sc= 0.721 K(o=0.72,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 160:sc= -0.0311 (180deg=-0.52) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -138:sc= 1.26 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N GLU A 12 -8.951 0.969 3.347 1.00 0.00 N ATOM 177 CA GLU A 12 -7.913 1.835 3.932 1.00 0.00 C ATOM 178 C GLU A 12 -7.352 1.174 5.205 1.00 0.00 C ATOM 179 O GLU A 12 -6.168 0.851 5.228 1.00 0.00 O ATOM 180 CB GLU A 12 -8.549 3.231 4.193 1.00 0.00 C ATOM 181 CG GLU A 12 -9.000 3.952 2.899 1.00 0.00 C ATOM 182 CD GLU A 12 -9.500 5.401 3.044 1.00 0.00 C ATOM 183 OE1 GLU A 12 -9.256 6.091 4.064 1.00 0.00 O ATOM 184 OE2 GLU A 12 -10.141 5.882 2.080 1.00 0.00 O ATOM 0 HA GLU A 12 -7.067 1.970 3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.408 3.113 4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.828 3.858 4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.163 3.951 2.201 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.796 3.363 2.443 1.00 0.00 H new ATOM 191 N SER A 13 -8.150 0.922 6.248 1.00 0.00 N ATOM 192 CA SER A 13 -7.598 0.407 7.503 1.00 0.00 C ATOM 193 C SER A 13 -7.288 -1.097 7.482 1.00 0.00 C ATOM 194 O SER A 13 -6.497 -1.536 8.316 1.00 0.00 O ATOM 195 CB SER A 13 -8.549 0.703 8.666 1.00 0.00 C ATOM 196 OG SER A 13 -8.879 2.082 8.755 1.00 0.00 O ATOM 0 H SER A 13 -9.160 1.063 6.249 1.00 0.00 H new ATOM 0 HA SER A 13 -6.648 0.925 7.635 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.462 0.120 8.543 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.089 0.381 9.600 1.00 0.00 H new ATOM 0 HG SER A 13 -9.488 2.225 9.509 1.00 0.00 H new ATOM 202 N GLU A 14 -7.877 -1.895 6.581 1.00 0.00 N ATOM 203 CA GLU A 14 -7.490 -3.290 6.438 1.00 0.00 C ATOM 204 C GLU A 14 -6.121 -3.339 5.770 1.00 0.00 C ATOM 205 O GLU A 14 -5.192 -3.918 6.323 1.00 0.00 O ATOM 206 CB GLU A 14 -8.544 -4.071 5.632 1.00 0.00 C ATOM 207 CG GLU A 14 -9.702 -4.568 6.518 1.00 0.00 C ATOM 208 CD GLU A 14 -10.041 -6.057 6.358 1.00 0.00 C ATOM 209 OE1 GLU A 14 -9.347 -6.905 6.965 1.00 0.00 O ATOM 210 OE2 GLU A 14 -11.060 -6.361 5.692 1.00 0.00 O ATOM 0 H GLU A 14 -8.618 -1.594 5.948 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.431 -3.766 7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.941 -3.433 4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.069 -4.923 5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.451 -4.377 7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.592 -3.981 6.292 1.00 0.00 H new ATOM 217 N ILE A 15 -5.989 -2.714 4.598 1.00 0.00 N ATOM 218 CA ILE A 15 -4.782 -2.705 3.784 1.00 0.00 C ATOM 219 C ILE A 15 -3.621 -2.154 4.615 1.00 0.00 C ATOM 220 O ILE A 15 -2.539 -2.734 4.577 1.00 0.00 O ATOM 221 CB ILE A 15 -5.043 -1.939 2.462 1.00 0.00 C ATOM 222 CG1 ILE A 15 -6.083 -2.703 1.605 1.00 0.00 C ATOM 223 CG2 ILE A 15 -3.750 -1.755 1.650 1.00 0.00 C ATOM 224 CD1 ILE A 15 -6.706 -1.866 0.483 1.00 0.00 C ATOM 0 H ILE A 15 -6.751 -2.182 4.178 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.498 -3.715 3.487 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.427 -0.952 2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.604 -3.579 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.878 -3.067 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.972 -1.214 0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.028 -1.189 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.332 -2.731 1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.423 -2.474 -0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.216 -1.004 0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.923 -1.524 -0.194 1.00 0.00 H new ATOM 236 N GLN A 16 -3.846 -1.095 5.399 1.00 0.00 N ATOM 237 CA GLN A 16 -2.834 -0.481 6.243 1.00 0.00 C ATOM 238 C GLN A 16 -2.121 -1.507 7.142 1.00 0.00 C ATOM 239 O GLN A 16 -0.895 -1.479 7.271 1.00 0.00 O ATOM 240 CB GLN A 16 -3.517 0.645 7.036 1.00 0.00 C ATOM 241 CG GLN A 16 -2.570 1.527 7.851 1.00 0.00 C ATOM 242 CD GLN A 16 -2.202 0.976 9.225 1.00 0.00 C ATOM 243 OE1 GLN A 16 -2.957 0.234 9.845 1.00 0.00 O ATOM 244 NE2 GLN A 16 -1.065 1.371 9.764 1.00 0.00 N ATOM 0 H GLN A 16 -4.755 -0.637 5.461 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.036 -0.061 5.631 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.069 1.277 6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.248 0.201 7.712 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.654 1.677 7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.030 2.507 7.980 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.441 1.988 9.244 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.809 1.060 10.701 1.00 0.00 H new ATOM 253 N LYS A 17 -2.881 -2.412 7.761 1.00 0.00 N ATOM 254 CA LYS A 17 -2.359 -3.464 8.635 1.00 0.00 C ATOM 255 C LYS A 17 -1.898 -4.683 7.844 1.00 0.00 C ATOM 256 O LYS A 17 -0.812 -5.198 8.100 1.00 0.00 O ATOM 257 CB LYS A 17 -3.430 -3.859 9.651 1.00 0.00 C ATOM 258 CG LYS A 17 -3.237 -3.187 11.023 1.00 0.00 C ATOM 259 CD LYS A 17 -3.973 -3.921 12.153 1.00 0.00 C ATOM 260 CE LYS A 17 -3.299 -5.279 12.381 1.00 0.00 C ATOM 261 NZ LYS A 17 -3.849 -6.047 13.510 1.00 0.00 N ATOM 0 H LYS A 17 -3.896 -2.435 7.667 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.486 -3.072 9.156 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.411 -3.593 9.258 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.420 -4.941 9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.173 -3.145 11.256 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.593 -2.158 10.972 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.947 -3.329 13.068 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.022 -4.059 11.892 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.392 -5.874 11.473 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.234 -5.119 12.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.340 -6.950 13.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.737 -5.501 14.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.859 -6.233 13.344 1.00 0.00 H new ATOM 275 N LEU A 18 -2.694 -5.135 6.879 1.00 0.00 N ATOM 276 CA LEU A 18 -2.400 -6.278 6.024 1.00 0.00 C ATOM 277 C LEU A 18 -1.033 -6.125 5.358 1.00 0.00 C ATOM 278 O LEU A 18 -0.313 -7.109 5.197 1.00 0.00 O ATOM 279 CB LEU A 18 -3.471 -6.370 4.928 1.00 0.00 C ATOM 280 CG LEU A 18 -4.682 -7.302 5.153 1.00 0.00 C ATOM 281 CD1 LEU A 18 -5.274 -7.345 6.545 1.00 0.00 C ATOM 282 CD2 LEU A 18 -5.790 -6.919 4.163 1.00 0.00 C ATOM 0 H LEU A 18 -3.591 -4.700 6.665 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.395 -7.178 6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.855 -5.365 4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.977 -6.685 4.009 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.282 -8.304 4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.115 -8.038 6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.515 -7.679 7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.618 -6.349 6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.652 -7.570 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.085 -5.883 4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.422 -7.031 3.143 1.00 0.00 H new ATOM 294 N LEU A 19 -0.685 -4.916 4.911 1.00 0.00 N ATOM 295 CA LEU A 19 0.589 -4.684 4.251 1.00 0.00 C ATOM 296 C LEU A 19 1.751 -4.844 5.226 1.00 0.00 C ATOM 297 O LEU A 19 2.825 -5.260 4.804 1.00 0.00 O ATOM 298 CB LEU A 19 0.628 -3.280 3.644 1.00 0.00 C ATOM 299 CG LEU A 19 -0.220 -3.081 2.382 1.00 0.00 C ATOM 300 CD1 LEU A 19 -0.230 -1.592 2.054 1.00 0.00 C ATOM 301 CD2 LEU A 19 0.342 -3.845 1.178 1.00 0.00 C ATOM 0 H LEU A 19 -1.272 -4.086 4.997 1.00 0.00 H new ATOM 0 HA LEU A 19 0.690 -5.426 3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.296 -2.568 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.663 -3.034 3.407 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.222 -3.463 2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.827 -1.421 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.660 -1.038 2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.791 -1.251 1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.293 -3.673 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.352 -3.495 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.367 -4.911 1.403 1.00 0.00 H new ATOM 313 N MET A 20 1.574 -4.524 6.508 1.00 0.00 N ATOM 314 CA MET A 20 2.628 -4.662 7.506 1.00 0.00 C ATOM 315 C MET A 20 2.931 -6.136 7.770 1.00 0.00 C ATOM 316 O MET A 20 4.099 -6.523 7.797 1.00 0.00 O ATOM 317 CB MET A 20 2.205 -3.931 8.790 1.00 0.00 C ATOM 318 CG MET A 20 2.474 -2.425 8.684 1.00 0.00 C ATOM 319 SD MET A 20 3.881 -1.798 9.641 1.00 0.00 S ATOM 320 CE MET A 20 5.204 -2.941 9.138 1.00 0.00 C ATOM 0 H MET A 20 0.696 -4.163 6.881 1.00 0.00 H new ATOM 0 HA MET A 20 3.547 -4.209 7.134 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.145 -4.102 8.976 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.748 -4.341 9.641 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.635 -2.178 7.635 1.00 0.00 H new ATOM 0 HG3 MET A 20 1.578 -1.893 9.003 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.172 -2.521 9.412 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.069 -3.898 9.641 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.165 -3.090 8.059 1.00 0.00 H new ATOM 330 N GLU A 21 1.898 -6.968 7.920 1.00 0.00 N ATOM 331 CA GLU A 21 2.047 -8.415 8.009 1.00 0.00 C ATOM 332 C GLU A 21 2.812 -8.976 6.813 1.00 0.00 C ATOM 333 O GLU A 21 3.757 -9.746 6.999 1.00 0.00 O ATOM 334 CB GLU A 21 0.656 -9.055 8.110 1.00 0.00 C ATOM 335 CG GLU A 21 0.251 -9.287 9.562 1.00 0.00 C ATOM 336 CD GLU A 21 0.953 -10.503 10.164 1.00 0.00 C ATOM 337 OE1 GLU A 21 2.128 -10.391 10.583 1.00 0.00 O ATOM 338 OE2 GLU A 21 0.334 -11.588 10.221 1.00 0.00 O ATOM 0 H GLU A 21 0.931 -6.651 7.983 1.00 0.00 H new ATOM 0 HA GLU A 21 2.628 -8.653 8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.078 -8.411 7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.651 -10.004 7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.490 -8.402 10.151 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.829 -9.426 9.620 1.00 0.00 H new ATOM 345 N ALA A 22 2.414 -8.602 5.595 1.00 0.00 N ATOM 346 CA ALA A 22 3.106 -9.047 4.396 1.00 0.00 C ATOM 347 C ALA A 22 4.563 -8.574 4.405 1.00 0.00 C ATOM 348 O ALA A 22 5.451 -9.378 4.144 1.00 0.00 O ATOM 349 CB ALA A 22 2.366 -8.555 3.154 1.00 0.00 C ATOM 0 H ALA A 22 1.616 -7.992 5.419 1.00 0.00 H new ATOM 0 HA ALA A 22 3.117 -10.137 4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.891 -8.893 2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.352 -8.955 3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.326 -7.466 3.162 1.00 0.00 H new ATOM 355 N LEU A 23 4.822 -7.299 4.719 1.00 0.00 N ATOM 356 CA LEU A 23 6.149 -6.684 4.679 1.00 0.00 C ATOM 357 C LEU A 23 7.166 -7.515 5.468 1.00 0.00 C ATOM 358 O LEU A 23 8.297 -7.691 5.009 1.00 0.00 O ATOM 359 CB LEU A 23 6.062 -5.230 5.207 1.00 0.00 C ATOM 360 CG LEU A 23 7.412 -4.496 5.244 1.00 0.00 C ATOM 361 CD1 LEU A 23 8.070 -4.416 3.867 1.00 0.00 C ATOM 362 CD2 LEU A 23 7.207 -3.059 5.725 1.00 0.00 C ATOM 0 H LEU A 23 4.092 -6.651 5.016 1.00 0.00 H new ATOM 0 HA LEU A 23 6.499 -6.656 3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.371 -4.667 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.640 -5.244 6.212 1.00 0.00 H new ATOM 0 HG LEU A 23 8.054 -5.064 5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.020 -3.888 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.245 -5.423 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.414 -3.879 3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.167 -2.543 5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.533 -2.540 5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.775 -3.068 6.726 1.00 0.00 H new ATOM 374 N GLN A 24 6.773 -8.037 6.631 1.00 0.00 N ATOM 375 CA GLN A 24 7.640 -8.816 7.501 1.00 0.00 C ATOM 376 C GLN A 24 8.020 -10.198 6.942 1.00 0.00 C ATOM 377 O GLN A 24 9.067 -10.710 7.338 1.00 0.00 O ATOM 378 CB GLN A 24 6.946 -8.944 8.862 1.00 0.00 C ATOM 379 CG GLN A 24 6.871 -7.598 9.598 1.00 0.00 C ATOM 380 CD GLN A 24 8.249 -7.144 10.081 1.00 0.00 C ATOM 381 OE1 GLN A 24 8.905 -7.839 10.851 1.00 0.00 O ATOM 382 NE2 GLN A 24 8.748 -6.002 9.634 1.00 0.00 N ATOM 0 H GLN A 24 5.827 -7.926 6.996 1.00 0.00 H new ATOM 0 HA GLN A 24 8.589 -8.288 7.588 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.939 -9.336 8.720 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.485 -9.664 9.478 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.450 -6.843 8.934 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.197 -7.685 10.450 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.204 -5.423 8.994 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.677 -5.701 9.930 1.00 0.00 H new ATOM 391 N GLN A 25 7.239 -10.791 6.028 1.00 0.00 N ATOM 392 CA GLN A 25 7.524 -12.110 5.434 1.00 0.00 C ATOM 393 C GLN A 25 7.794 -12.040 3.927 1.00 0.00 C ATOM 394 O GLN A 25 8.031 -13.066 3.294 1.00 0.00 O ATOM 395 CB GLN A 25 6.393 -13.104 5.758 1.00 0.00 C ATOM 396 CG GLN A 25 6.281 -13.314 7.274 1.00 0.00 C ATOM 397 CD GLN A 25 5.612 -14.631 7.676 1.00 0.00 C ATOM 398 OE1 GLN A 25 6.147 -15.730 7.505 1.00 0.00 O ATOM 399 NE2 GLN A 25 4.423 -14.565 8.244 1.00 0.00 N ATOM 0 H GLN A 25 6.382 -10.366 5.675 1.00 0.00 H new ATOM 0 HA GLN A 25 8.446 -12.472 5.888 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.448 -12.729 5.366 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.586 -14.057 5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.280 -13.279 7.709 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.717 -12.486 7.704 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.976 -13.659 8.388 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.951 -15.419 8.539 1.00 0.00 H new ATOM 408 N LEU A 26 7.766 -10.836 3.357 1.00 0.00 N ATOM 409 CA LEU A 26 7.946 -10.548 1.942 1.00 0.00 C ATOM 410 C LEU A 26 9.289 -11.038 1.396 1.00 0.00 C ATOM 411 O LEU A 26 9.373 -11.358 0.205 1.00 0.00 O ATOM 412 CB LEU A 26 7.690 -9.040 1.751 1.00 0.00 C ATOM 413 CG LEU A 26 8.207 -8.461 0.436 1.00 0.00 C ATOM 414 CD1 LEU A 26 7.428 -8.961 -0.779 1.00 0.00 C ATOM 415 CD2 LEU A 26 8.197 -6.935 0.481 1.00 0.00 C ATOM 0 H LEU A 26 7.608 -9.990 3.905 1.00 0.00 H new ATOM 0 HA LEU A 26 7.229 -11.109 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.617 -8.858 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.154 -8.500 2.576 1.00 0.00 H new ATOM 0 HG LEU A 26 9.232 -8.812 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.841 -8.516 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.507 -10.046 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.380 -8.678 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.569 -6.541 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.179 -6.583 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.836 -6.591 1.294 1.00 0.00 H new ATOM 427 N ARG A 27 10.325 -11.118 2.236 1.00 0.00 N ATOM 428 CA ARG A 27 11.682 -11.488 1.843 1.00 0.00 C ATOM 429 C ARG A 27 12.127 -10.564 0.705 1.00 0.00 C ATOM 430 O ARG A 27 12.539 -11.015 -0.363 1.00 0.00 O ATOM 431 CB ARG A 27 11.753 -12.999 1.518 1.00 0.00 C ATOM 432 CG ARG A 27 11.299 -13.921 2.669 1.00 0.00 C ATOM 433 CD ARG A 27 12.465 -14.426 3.524 1.00 0.00 C ATOM 434 NE ARG A 27 11.994 -15.403 4.518 1.00 0.00 N ATOM 435 CZ ARG A 27 12.745 -16.279 5.192 1.00 0.00 C ATOM 436 NH1 ARG A 27 14.063 -16.310 5.030 1.00 0.00 N ATOM 437 NH2 ARG A 27 12.176 -17.122 6.042 1.00 0.00 N ATOM 0 H ARG A 27 10.238 -10.922 3.233 1.00 0.00 H new ATOM 0 HA ARG A 27 12.390 -11.345 2.659 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.135 -13.199 0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.778 -13.252 1.249 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.596 -13.382 3.304 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.763 -14.775 2.254 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.220 -14.885 2.885 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.943 -13.587 4.029 1.00 0.00 H new ATOM 0 HE ARG A 27 10.993 -15.413 4.712 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.513 -15.660 4.385 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.625 -16.983 5.550 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.166 -17.102 6.181 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.748 -17.791 6.557 1.00 0.00 H new ATOM 451 N ASP A 28 12.019 -9.256 0.931 1.00 0.00 N ATOM 452 CA ASP A 28 12.509 -8.186 0.052 1.00 0.00 C ATOM 453 C ASP A 28 14.002 -8.348 -0.285 1.00 0.00 C ATOM 454 O ASP A 28 14.728 -9.020 0.453 1.00 0.00 O ATOM 455 CB ASP A 28 12.272 -6.831 0.735 1.00 0.00 C ATOM 456 CG ASP A 28 13.159 -6.679 1.960 1.00 0.00 C ATOM 457 OD1 ASP A 28 14.365 -6.399 1.774 1.00 0.00 O ATOM 458 OD2 ASP A 28 12.639 -6.864 3.084 1.00 0.00 O ATOM 0 H ASP A 28 11.567 -8.892 1.770 1.00 0.00 H new ATOM 0 HA ASP A 28 11.959 -8.241 -0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.475 -6.024 0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.225 -6.744 1.026 1.00 0.00 H new ATOM 463 N PRO A 29 14.494 -7.726 -1.374 1.00 0.00 N ATOM 464 CA PRO A 29 15.899 -7.792 -1.765 1.00 0.00 C ATOM 465 C PRO A 29 16.816 -6.969 -0.851 1.00 0.00 C ATOM 466 O PRO A 29 17.862 -7.476 -0.458 1.00 0.00 O ATOM 467 CB PRO A 29 15.957 -7.289 -3.214 1.00 0.00 C ATOM 468 CG PRO A 29 14.722 -6.399 -3.334 1.00 0.00 C ATOM 469 CD PRO A 29 13.715 -7.105 -2.433 1.00 0.00 C ATOM 0 HA PRO A 29 16.266 -8.814 -1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.873 -6.732 -3.409 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.928 -8.114 -3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.922 -5.381 -2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.369 -6.333 -4.363 1.00 0.00 H new ATOM 0 HD2 PRO A 29 12.994 -6.397 -2.024 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.149 -7.851 -2.990 1.00 0.00 H new ATOM 477 N ARG A 30 16.479 -5.721 -0.505 1.00 0.00 N ATOM 478 CA ARG A 30 17.370 -4.818 0.258 1.00 0.00 C ATOM 479 C ARG A 30 16.642 -3.751 1.059 1.00 0.00 C ATOM 480 O ARG A 30 17.264 -2.802 1.532 1.00 0.00 O ATOM 481 CB ARG A 30 18.440 -4.188 -0.669 1.00 0.00 C ATOM 482 CG ARG A 30 19.703 -3.725 0.093 1.00 0.00 C ATOM 483 CD ARG A 30 20.052 -2.238 -0.078 1.00 0.00 C ATOM 484 NE ARG A 30 21.203 -1.895 0.778 1.00 0.00 N ATOM 485 CZ ARG A 30 22.051 -0.868 0.641 1.00 0.00 C ATOM 486 NH1 ARG A 30 21.900 0.055 -0.303 1.00 0.00 N ATOM 487 NH2 ARG A 30 23.078 -0.757 1.476 1.00 0.00 N ATOM 0 H ARG A 30 15.580 -5.301 -0.743 1.00 0.00 H new ATOM 0 HA ARG A 30 17.863 -5.448 0.999 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.727 -4.914 -1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.004 -3.336 -1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 30 19.565 -3.931 1.154 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.551 -4.323 -0.241 1.00 0.00 H new ATOM 0 HD2 ARG A 30 20.287 -2.028 -1.121 1.00 0.00 H new ATOM 0 HD3 ARG A 30 19.193 -1.620 0.186 1.00 0.00 H new ATOM 0 HE ARG A 30 21.374 -2.515 1.570 1.00 0.00 H new ATOM 0 HH11 ARG A 30 21.117 -0.005 -0.954 1.00 0.00 H new ATOM 0 HH12 ARG A 30 22.567 0.823 -0.376 1.00 0.00 H new ATOM 0 HH21 ARG A 30 23.214 -1.450 2.212 1.00 0.00 H new ATOM 0 HH22 ARG A 30 23.731 0.021 1.381 1.00 0.00 H new ATOM 501 N LEU A 31 15.333 -3.878 1.205 1.00 0.00 N ATOM 502 CA LEU A 31 14.541 -2.852 1.837 1.00 0.00 C ATOM 503 C LEU A 31 14.769 -2.872 3.343 1.00 0.00 C ATOM 504 O LEU A 31 14.511 -3.882 3.999 1.00 0.00 O ATOM 505 CB LEU A 31 13.069 -3.079 1.470 1.00 0.00 C ATOM 506 CG LEU A 31 12.055 -2.243 2.260 1.00 0.00 C ATOM 507 CD1 LEU A 31 12.173 -0.757 1.912 1.00 0.00 C ATOM 508 CD2 LEU A 31 10.660 -2.770 1.924 1.00 0.00 C ATOM 0 H LEU A 31 14.800 -4.689 0.890 1.00 0.00 H new ATOM 0 HA LEU A 31 14.836 -1.864 1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 31 12.940 -2.867 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.835 -4.134 1.615 1.00 0.00 H new ATOM 0 HG LEU A 31 12.249 -2.333 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.442 -0.189 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.176 -0.405 2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.985 -0.617 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.912 -2.195 2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.482 -2.671 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.590 -3.820 2.208 1.00 0.00 H new ATOM 520 N LYS A 32 15.193 -1.741 3.904 1.00 0.00 N ATOM 521 CA LYS A 32 15.247 -1.527 5.340 1.00 0.00 C ATOM 522 C LYS A 32 13.826 -1.418 5.882 1.00 0.00 C ATOM 523 O LYS A 32 13.326 -0.312 6.087 1.00 0.00 O ATOM 524 CB LYS A 32 16.089 -0.282 5.646 1.00 0.00 C ATOM 525 CG LYS A 32 17.595 -0.592 5.646 1.00 0.00 C ATOM 526 CD LYS A 32 18.247 -0.532 4.254 1.00 0.00 C ATOM 527 CE LYS A 32 19.070 -1.770 3.891 1.00 0.00 C ATOM 528 NZ LYS A 32 20.185 -2.020 4.825 1.00 0.00 N ATOM 0 H LYS A 32 15.512 -0.939 3.361 1.00 0.00 H new ATOM 0 HA LYS A 32 15.728 -2.370 5.836 1.00 0.00 H new ATOM 0 HB2 LYS A 32 15.878 0.490 4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.802 0.121 6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 32 18.101 0.115 6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.751 -1.586 6.066 1.00 0.00 H new ATOM 0 HD2 LYS A 32 17.466 -0.397 3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 32 18.891 0.346 4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.416 -2.642 3.875 1.00 0.00 H new ATOM 0 HE3 LYS A 32 19.468 -1.651 2.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 20.704 -2.870 4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 20.829 -1.203 4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.809 -2.163 5.784 1.00 0.00 H new ATOM 542 N LYS A 33 13.160 -2.554 6.132 1.00 0.00 N ATOM 543 CA LYS A 33 11.785 -2.578 6.639 1.00 0.00 C ATOM 544 C LYS A 33 11.639 -1.780 7.930 1.00 0.00 C ATOM 545 O LYS A 33 10.560 -1.270 8.214 1.00 0.00 O ATOM 546 CB LYS A 33 11.290 -3.997 6.945 1.00 0.00 C ATOM 547 CG LYS A 33 11.867 -5.174 6.159 1.00 0.00 C ATOM 548 CD LYS A 33 11.107 -6.430 6.611 1.00 0.00 C ATOM 549 CE LYS A 33 11.843 -7.709 6.225 1.00 0.00 C ATOM 550 NZ LYS A 33 12.976 -7.994 7.133 1.00 0.00 N ATOM 0 H LYS A 33 13.561 -3.481 5.988 1.00 0.00 H new ATOM 0 HA LYS A 33 11.191 -2.137 5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.473 -4.187 8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 33 10.209 -4.005 6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.749 -5.017 5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.935 -5.279 6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.970 -6.402 7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.113 -6.434 6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.146 -8.547 6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.211 -7.621 5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.448 -8.871 6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.655 -7.207 7.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.623 -8.104 8.105 1.00 0.00 H new ATOM 564 N ASP A 34 12.714 -1.705 8.711 1.00 0.00 N ATOM 565 CA ASP A 34 12.740 -1.125 10.045 1.00 0.00 C ATOM 566 C ASP A 34 12.461 0.377 10.063 1.00 0.00 C ATOM 567 O ASP A 34 12.257 0.941 11.140 1.00 0.00 O ATOM 568 CB ASP A 34 14.102 -1.417 10.684 1.00 0.00 C ATOM 569 CG ASP A 34 13.901 -2.070 12.038 1.00 0.00 C ATOM 570 OD1 ASP A 34 13.780 -1.332 13.044 1.00 0.00 O ATOM 571 OD2 ASP A 34 13.837 -3.322 12.085 1.00 0.00 O ATOM 0 H ASP A 34 13.624 -2.061 8.418 1.00 0.00 H new ATOM 0 HA ASP A 34 11.934 -1.586 10.616 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.686 -2.072 10.037 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.668 -0.492 10.796 1.00 0.00 H new ATOM 576 N PHE A 35 12.452 1.012 8.888 1.00 0.00 N ATOM 577 CA PHE A 35 12.158 2.424 8.687 1.00 0.00 C ATOM 578 C PHE A 35 10.952 2.574 7.746 1.00 0.00 C ATOM 579 O PHE A 35 10.863 3.557 7.009 1.00 0.00 O ATOM 580 CB PHE A 35 13.426 3.114 8.153 1.00 0.00 C ATOM 581 CG PHE A 35 14.691 2.868 8.961 1.00 0.00 C ATOM 582 CD1 PHE A 35 14.703 3.047 10.359 1.00 0.00 C ATOM 583 CD2 PHE A 35 15.856 2.420 8.310 1.00 0.00 C ATOM 584 CE1 PHE A 35 15.860 2.743 11.101 1.00 0.00 C ATOM 585 CE2 PHE A 35 17.008 2.110 9.052 1.00 0.00 C ATOM 586 CZ PHE A 35 17.010 2.266 10.449 1.00 0.00 C ATOM 0 H PHE A 35 12.660 0.529 8.014 1.00 0.00 H new ATOM 0 HA PHE A 35 11.883 2.908 9.624 1.00 0.00 H new ATOM 0 HB2 PHE A 35 13.598 2.780 7.130 1.00 0.00 H new ATOM 0 HB3 PHE A 35 13.245 4.188 8.111 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.822 3.418 10.862 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.864 2.314 7.235 1.00 0.00 H new ATOM 0 HE1 PHE A 35 15.864 2.877 12.173 1.00 0.00 H new ATOM 0 HE2 PHE A 35 17.893 1.751 8.548 1.00 0.00 H new ATOM 0 HZ PHE A 35 17.893 2.020 11.020 1.00 0.00 H new ATOM 596 N VAL A 36 10.057 1.578 7.706 1.00 0.00 N ATOM 597 CA VAL A 36 8.876 1.557 6.856 1.00 0.00 C ATOM 598 C VAL A 36 7.648 1.456 7.745 1.00 0.00 C ATOM 599 O VAL A 36 7.466 0.479 8.477 1.00 0.00 O ATOM 600 CB VAL A 36 8.944 0.420 5.811 1.00 0.00 C ATOM 601 CG1 VAL A 36 7.752 0.435 4.840 1.00 0.00 C ATOM 602 CG2 VAL A 36 10.210 0.466 4.947 1.00 0.00 C ATOM 0 H VAL A 36 10.144 0.743 8.285 1.00 0.00 H new ATOM 0 HA VAL A 36 8.821 2.480 6.278 1.00 0.00 H new ATOM 0 HB VAL A 36 8.937 -0.486 6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.852 -0.385 4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.825 0.318 5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.733 1.382 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.195 -0.359 4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.247 1.412 4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.089 0.378 5.585 1.00 0.00 H new ATOM 612 N THR A 37 6.781 2.463 7.666 1.00 0.00 N ATOM 613 CA THR A 37 5.471 2.408 8.286 1.00 0.00 C ATOM 614 C THR A 37 4.447 2.990 7.309 1.00 0.00 C ATOM 615 O THR A 37 4.528 4.158 6.915 1.00 0.00 O ATOM 616 CB THR A 37 5.480 3.097 9.655 1.00 0.00 C ATOM 617 OG1 THR A 37 6.619 2.718 10.417 1.00 0.00 O ATOM 618 CG2 THR A 37 4.239 2.694 10.451 1.00 0.00 C ATOM 0 H THR A 37 6.971 3.334 7.171 1.00 0.00 H new ATOM 0 HA THR A 37 5.186 1.376 8.491 1.00 0.00 H new ATOM 0 HB THR A 37 5.498 4.172 9.476 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.599 3.174 11.284 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.254 3.188 11.422 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.344 2.993 9.905 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.233 1.613 10.594 1.00 0.00 H new ATOM 626 N PHE A 38 3.502 2.147 6.895 1.00 0.00 N ATOM 627 CA PHE A 38 2.291 2.537 6.194 1.00 0.00 C ATOM 628 C PHE A 38 1.362 3.168 7.230 1.00 0.00 C ATOM 629 O PHE A 38 0.994 2.509 8.207 1.00 0.00 O ATOM 630 CB PHE A 38 1.647 1.303 5.529 1.00 0.00 C ATOM 631 CG PHE A 38 2.604 0.452 4.705 1.00 0.00 C ATOM 632 CD1 PHE A 38 3.423 1.047 3.729 1.00 0.00 C ATOM 633 CD2 PHE A 38 2.716 -0.930 4.948 1.00 0.00 C ATOM 634 CE1 PHE A 38 4.345 0.272 3.001 1.00 0.00 C ATOM 635 CE2 PHE A 38 3.663 -1.701 4.247 1.00 0.00 C ATOM 636 CZ PHE A 38 4.469 -1.103 3.264 1.00 0.00 C ATOM 0 H PHE A 38 3.566 1.140 7.046 1.00 0.00 H new ATOM 0 HA PHE A 38 2.500 3.252 5.398 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.204 0.679 6.305 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.833 1.637 4.885 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.344 2.107 3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.072 -1.401 5.676 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.957 0.734 2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.770 -2.753 4.465 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.182 -1.698 2.712 1.00 0.00 H new ATOM 646 N SER A 39 1.017 4.439 7.044 1.00 0.00 N ATOM 647 CA SER A 39 0.116 5.197 7.895 1.00 0.00 C ATOM 648 C SER A 39 -1.066 5.667 7.050 1.00 0.00 C ATOM 649 O SER A 39 -2.165 5.114 7.177 1.00 0.00 O ATOM 650 CB SER A 39 0.883 6.340 8.579 1.00 0.00 C ATOM 651 OG SER A 39 0.009 7.258 9.206 1.00 0.00 O ATOM 0 H SER A 39 1.375 4.988 6.262 1.00 0.00 H new ATOM 0 HA SER A 39 -0.285 4.582 8.701 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.568 5.926 9.319 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.491 6.863 7.840 1.00 0.00 H new ATOM 0 HG SER A 39 0.532 7.969 9.631 1.00 0.00 H new ATOM 657 N ARG A 40 -0.876 6.643 6.157 1.00 0.00 N ATOM 658 CA ARG A 40 -1.965 7.177 5.346 1.00 0.00 C ATOM 659 C ARG A 40 -2.250 6.213 4.195 1.00 0.00 C ATOM 660 O ARG A 40 -1.339 5.611 3.632 1.00 0.00 O ATOM 661 CB ARG A 40 -1.622 8.608 4.911 1.00 0.00 C ATOM 662 CG ARG A 40 -2.705 9.219 4.008 1.00 0.00 C ATOM 663 CD ARG A 40 -3.037 10.654 4.415 1.00 0.00 C ATOM 664 NE ARG A 40 -2.185 11.646 3.730 1.00 0.00 N ATOM 665 CZ ARG A 40 -2.434 12.149 2.508 1.00 0.00 C ATOM 666 NH1 ARG A 40 -3.473 11.700 1.807 1.00 0.00 N ATOM 667 NH2 ARG A 40 -1.667 13.095 1.975 1.00 0.00 N ATOM 0 H ARG A 40 0.029 7.079 5.980 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.892 7.253 5.915 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.494 9.233 5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.669 8.606 4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.366 9.204 2.972 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.607 8.609 4.057 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.083 10.860 4.189 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.917 10.760 5.493 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.350 11.972 4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.077 10.977 2.197 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.665 12.079 0.880 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.867 13.456 2.495 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.878 13.459 1.046 1.00 0.00 H new ATOM 681 N VAL A 41 -3.516 6.023 3.860 1.00 0.00 N ATOM 682 CA VAL A 41 -4.043 5.365 2.688 1.00 0.00 C ATOM 683 C VAL A 41 -5.332 6.048 2.245 1.00 0.00 C ATOM 684 O VAL A 41 -6.065 6.611 3.064 1.00 0.00 O ATOM 685 CB VAL A 41 -4.170 3.857 2.973 1.00 0.00 C ATOM 686 CG1 VAL A 41 -4.720 3.463 4.326 1.00 0.00 C ATOM 687 CG2 VAL A 41 -4.914 3.082 1.888 1.00 0.00 C ATOM 0 H VAL A 41 -4.267 6.360 4.463 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.366 5.456 1.839 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.119 3.568 2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.759 2.376 4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.074 3.858 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.724 3.871 4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.962 2.028 2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.925 3.477 1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.387 3.187 0.940 1.00 0.00 H new ATOM 697 N GLU A 42 -5.618 5.971 0.955 1.00 0.00 N ATOM 698 CA GLU A 42 -6.869 6.293 0.322 1.00 0.00 C ATOM 699 C GLU A 42 -7.166 5.215 -0.715 1.00 0.00 C ATOM 700 O GLU A 42 -6.279 4.456 -1.107 1.00 0.00 O ATOM 701 CB GLU A 42 -6.744 7.677 -0.319 1.00 0.00 C ATOM 702 CG GLU A 42 -7.195 8.734 0.691 1.00 0.00 C ATOM 703 CD GLU A 42 -7.543 10.058 0.029 1.00 0.00 C ATOM 704 OE1 GLU A 42 -8.550 10.090 -0.716 1.00 0.00 O ATOM 705 OE2 GLU A 42 -6.910 11.070 0.408 1.00 0.00 O ATOM 0 H GLU A 42 -4.922 5.657 0.279 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.691 6.322 1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.713 7.860 -0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.355 7.732 -1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.063 8.364 1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.403 8.894 1.423 1.00 0.00 H new ATOM 712 N LEU A 43 -8.425 5.138 -1.137 1.00 0.00 N ATOM 713 CA LEU A 43 -8.939 4.262 -2.178 1.00 0.00 C ATOM 714 C LEU A 43 -9.594 5.115 -3.267 1.00 0.00 C ATOM 715 O LEU A 43 -9.876 6.296 -3.052 1.00 0.00 O ATOM 716 CB LEU A 43 -9.977 3.344 -1.521 1.00 0.00 C ATOM 717 CG LEU A 43 -9.482 1.999 -0.989 1.00 0.00 C ATOM 718 CD1 LEU A 43 -9.378 0.930 -2.078 1.00 0.00 C ATOM 719 CD2 LEU A 43 -8.149 2.019 -0.250 1.00 0.00 C ATOM 0 H LEU A 43 -9.157 5.723 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.146 3.670 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.433 3.887 -0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.765 3.150 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.260 1.755 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.022 -0.002 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.359 0.769 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.679 1.260 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.901 1.010 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.368 2.385 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.223 2.677 0.616 1.00 0.00 H new ATOM 731 N SER A 44 -9.888 4.516 -4.420 1.00 0.00 N ATOM 732 CA SER A 44 -10.554 5.190 -5.524 1.00 0.00 C ATOM 733 C SER A 44 -12.035 5.453 -5.205 1.00 0.00 C ATOM 734 O SER A 44 -12.586 4.897 -4.240 1.00 0.00 O ATOM 735 CB SER A 44 -10.333 4.387 -6.815 1.00 0.00 C ATOM 736 OG SER A 44 -11.279 3.366 -6.998 1.00 0.00 O ATOM 0 H SER A 44 -9.667 3.539 -4.612 1.00 0.00 H new ATOM 0 HA SER A 44 -10.116 6.177 -5.677 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.369 5.065 -7.668 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.335 3.950 -6.797 1.00 0.00 H new ATOM 0 HG SER A 44 -11.655 3.426 -7.901 1.00 0.00 H new ATOM 742 N LYS A 45 -12.708 6.234 -6.067 1.00 0.00 N ATOM 743 CA LYS A 45 -14.146 6.503 -5.958 1.00 0.00 C ATOM 744 C LYS A 45 -14.929 5.201 -5.798 1.00 0.00 C ATOM 745 O LYS A 45 -15.761 5.100 -4.896 1.00 0.00 O ATOM 746 CB LYS A 45 -14.667 7.290 -7.169 1.00 0.00 C ATOM 747 CG LYS A 45 -14.167 8.750 -7.223 1.00 0.00 C ATOM 748 CD LYS A 45 -15.185 9.679 -7.915 1.00 0.00 C ATOM 749 CE LYS A 45 -15.601 10.881 -7.056 1.00 0.00 C ATOM 750 NZ LYS A 45 -14.592 11.960 -7.001 1.00 0.00 N ATOM 0 H LYS A 45 -12.265 6.697 -6.861 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.296 7.116 -5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.364 6.778 -8.082 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.757 7.289 -7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.979 9.107 -6.211 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.217 8.789 -7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.757 10.041 -8.850 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.073 9.103 -8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.533 11.289 -7.448 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.805 10.537 -6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.945 12.735 -6.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.708 11.588 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.413 12.317 -7.961 1.00 0.00 H new ATOM 764 N ASP A 46 -14.623 4.201 -6.629 1.00 0.00 N ATOM 765 CA ASP A 46 -15.322 2.915 -6.707 1.00 0.00 C ATOM 766 C ASP A 46 -14.521 1.781 -6.050 1.00 0.00 C ATOM 767 O ASP A 46 -14.735 0.609 -6.364 1.00 0.00 O ATOM 768 CB ASP A 46 -15.624 2.588 -8.181 1.00 0.00 C ATOM 769 CG ASP A 46 -16.928 1.806 -8.335 1.00 0.00 C ATOM 770 OD1 ASP A 46 -18.004 2.447 -8.386 1.00 0.00 O ATOM 771 OD2 ASP A 46 -16.886 0.575 -8.550 1.00 0.00 O ATOM 0 H ASP A 46 -13.851 4.268 -7.292 1.00 0.00 H new ATOM 0 HA ASP A 46 -16.256 3.000 -6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.686 3.514 -8.753 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.801 2.009 -8.600 1.00 0.00 H new ATOM 776 N LYS A 47 -13.564 2.113 -5.166 1.00 0.00 N ATOM 777 CA LYS A 47 -12.588 1.211 -4.541 1.00 0.00 C ATOM 778 C LYS A 47 -11.894 0.245 -5.521 1.00 0.00 C ATOM 779 O LYS A 47 -11.497 -0.866 -5.162 1.00 0.00 O ATOM 780 CB LYS A 47 -13.124 0.585 -3.250 1.00 0.00 C ATOM 781 CG LYS A 47 -14.624 0.359 -3.128 1.00 0.00 C ATOM 782 CD LYS A 47 -15.075 -1.007 -3.654 1.00 0.00 C ATOM 783 CE LYS A 47 -16.585 -0.991 -3.900 1.00 0.00 C ATOM 784 NZ LYS A 47 -17.086 -2.313 -4.317 1.00 0.00 N ATOM 0 H LYS A 47 -13.446 3.076 -4.852 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.754 1.834 -4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.631 -0.378 -3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.814 1.219 -2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.915 0.452 -2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.148 1.143 -3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.549 -1.243 -4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.822 -1.786 -2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.098 -0.678 -2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.820 -0.254 -4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -18.113 -2.261 -4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.615 -2.601 -5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.884 -3.011 -3.573 1.00 0.00 H new ATOM 798 N ARG A 48 -11.741 0.651 -6.780 1.00 0.00 N ATOM 799 CA ARG A 48 -10.957 -0.030 -7.800 1.00 0.00 C ATOM 800 C ARG A 48 -9.468 0.079 -7.512 1.00 0.00 C ATOM 801 O ARG A 48 -8.767 -0.914 -7.711 1.00 0.00 O ATOM 802 CB ARG A 48 -11.284 0.533 -9.194 1.00 0.00 C ATOM 803 CG ARG A 48 -12.648 0.056 -9.721 1.00 0.00 C ATOM 804 CD ARG A 48 -12.550 -1.232 -10.557 1.00 0.00 C ATOM 805 NE ARG A 48 -11.976 -0.991 -11.897 1.00 0.00 N ATOM 806 CZ ARG A 48 -12.648 -0.565 -12.977 1.00 0.00 C ATOM 807 NH1 ARG A 48 -13.950 -0.309 -12.924 1.00 0.00 N ATOM 808 NH2 ARG A 48 -12.015 -0.378 -14.129 1.00 0.00 N ATOM 0 H ARG A 48 -12.181 1.502 -7.129 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.223 -1.087 -7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.276 1.622 -9.153 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.504 0.235 -9.894 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.318 -0.114 -8.878 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.093 0.844 -10.328 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.936 -1.960 -10.027 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.543 -1.670 -10.663 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.977 -1.164 -12.011 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.459 -0.435 -12.049 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.441 0.014 -13.758 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.013 -0.558 -14.196 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.530 -0.054 -14.947 1.00 0.00 H new ATOM 822 N TYR A 49 -8.971 1.238 -7.082 1.00 0.00 N ATOM 823 CA TYR A 49 -7.540 1.472 -6.894 1.00 0.00 C ATOM 824 C TYR A 49 -7.244 1.902 -5.477 1.00 0.00 C ATOM 825 O TYR A 49 -8.138 2.380 -4.784 1.00 0.00 O ATOM 826 CB TYR A 49 -7.030 2.493 -7.918 1.00 0.00 C ATOM 827 CG TYR A 49 -7.425 2.149 -9.335 1.00 0.00 C ATOM 828 CD1 TYR A 49 -7.201 0.843 -9.791 1.00 0.00 C ATOM 829 CD2 TYR A 49 -8.054 3.092 -10.166 1.00 0.00 C ATOM 830 CE1 TYR A 49 -7.597 0.461 -11.079 1.00 0.00 C ATOM 831 CE2 TYR A 49 -8.444 2.726 -11.468 1.00 0.00 C ATOM 832 CZ TYR A 49 -8.221 1.407 -11.922 1.00 0.00 C ATOM 833 OH TYR A 49 -8.591 1.048 -13.176 1.00 0.00 O ATOM 0 H TYR A 49 -9.552 2.044 -6.853 1.00 0.00 H new ATOM 0 HA TYR A 49 -7.007 0.536 -7.062 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.420 3.479 -7.666 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.944 2.554 -7.853 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.719 0.125 -9.144 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.237 4.094 -9.807 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.427 -0.548 -11.425 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.912 3.451 -12.118 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.007 1.813 -13.626 1.00 0.00 H new ATOM 843 N ALA A 50 -5.996 1.692 -5.072 1.00 0.00 N ATOM 844 CA ALA A 50 -5.499 1.882 -3.718 1.00 0.00 C ATOM 845 C ALA A 50 -4.276 2.788 -3.746 1.00 0.00 C ATOM 846 O ALA A 50 -3.440 2.667 -4.643 1.00 0.00 O ATOM 847 CB ALA A 50 -5.135 0.515 -3.139 1.00 0.00 C ATOM 0 H ALA A 50 -5.270 1.369 -5.712 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.262 2.350 -3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.760 0.638 -2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.020 -0.121 -3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.365 0.052 -3.756 1.00 0.00 H new ATOM 853 N ASP A 51 -4.161 3.690 -2.775 1.00 0.00 N ATOM 854 CA ASP A 51 -3.131 4.713 -2.704 1.00 0.00 C ATOM 855 C ASP A 51 -2.619 4.746 -1.260 1.00 0.00 C ATOM 856 O ASP A 51 -3.215 5.398 -0.412 1.00 0.00 O ATOM 857 CB ASP A 51 -3.685 6.085 -3.164 1.00 0.00 C ATOM 858 CG ASP A 51 -4.155 6.151 -4.629 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.318 6.142 -5.566 1.00 0.00 O ATOM 860 OD2 ASP A 51 -5.370 6.221 -4.908 1.00 0.00 O ATOM 0 H ASP A 51 -4.809 3.727 -1.988 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.305 4.484 -3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.522 6.354 -2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.912 6.839 -3.014 1.00 0.00 H new ATOM 865 N VAL A 52 -1.564 3.991 -0.943 1.00 0.00 N ATOM 866 CA VAL A 52 -0.994 3.832 0.404 1.00 0.00 C ATOM 867 C VAL A 52 0.286 4.671 0.441 1.00 0.00 C ATOM 868 O VAL A 52 1.104 4.594 -0.477 1.00 0.00 O ATOM 869 CB VAL A 52 -0.674 2.346 0.659 1.00 0.00 C ATOM 870 CG1 VAL A 52 0.097 2.124 1.968 1.00 0.00 C ATOM 871 CG2 VAL A 52 -1.964 1.511 0.709 1.00 0.00 C ATOM 0 H VAL A 52 -1.060 3.450 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.691 4.159 1.175 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.045 2.027 -0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.296 1.060 2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.041 2.668 1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.498 2.486 2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.714 0.466 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.603 1.876 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.491 1.599 -0.241 1.00 0.00 H new ATOM 881 N TYR A 53 0.477 5.444 1.504 1.00 0.00 N ATOM 882 CA TYR A 53 1.595 6.348 1.706 1.00 0.00 C ATOM 883 C TYR A 53 2.612 5.653 2.609 1.00 0.00 C ATOM 884 O TYR A 53 2.255 4.819 3.443 1.00 0.00 O ATOM 885 CB TYR A 53 1.077 7.642 2.348 1.00 0.00 C ATOM 886 CG TYR A 53 0.198 8.523 1.474 1.00 0.00 C ATOM 887 CD1 TYR A 53 -0.984 8.043 0.864 1.00 0.00 C ATOM 888 CD2 TYR A 53 0.580 9.862 1.279 1.00 0.00 C ATOM 889 CE1 TYR A 53 -1.717 8.857 -0.015 1.00 0.00 C ATOM 890 CE2 TYR A 53 -0.155 10.684 0.417 1.00 0.00 C ATOM 891 CZ TYR A 53 -1.278 10.174 -0.270 1.00 0.00 C ATOM 892 OH TYR A 53 -1.915 10.935 -1.196 1.00 0.00 O ATOM 0 H TYR A 53 -0.179 5.455 2.285 1.00 0.00 H new ATOM 0 HA TYR A 53 2.075 6.603 0.761 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.514 7.378 3.243 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.935 8.230 2.673 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.326 7.041 1.076 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.442 10.257 1.795 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.609 8.478 -0.492 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.138 11.714 0.277 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.487 11.815 -1.247 1.00 0.00 H new ATOM 902 N VAL A 54 3.885 6.011 2.490 1.00 0.00 N ATOM 903 CA VAL A 54 4.996 5.190 2.943 1.00 0.00 C ATOM 904 C VAL A 54 6.057 6.133 3.539 1.00 0.00 C ATOM 905 O VAL A 54 6.877 6.699 2.810 1.00 0.00 O ATOM 906 CB VAL A 54 5.492 4.361 1.727 1.00 0.00 C ATOM 907 CG1 VAL A 54 6.562 3.370 2.166 1.00 0.00 C ATOM 908 CG2 VAL A 54 4.395 3.583 0.972 1.00 0.00 C ATOM 0 H VAL A 54 4.176 6.893 2.069 1.00 0.00 H new ATOM 0 HA VAL A 54 4.726 4.479 3.724 1.00 0.00 H new ATOM 0 HB VAL A 54 5.884 5.103 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.901 2.795 1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.405 3.911 2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.147 2.693 2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.842 3.037 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.915 2.879 1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.652 4.282 0.588 1.00 0.00 H new ATOM 918 N SER A 55 6.003 6.369 4.853 1.00 0.00 N ATOM 919 CA SER A 55 6.790 7.399 5.528 1.00 0.00 C ATOM 920 C SER A 55 8.187 6.866 5.890 1.00 0.00 C ATOM 921 O SER A 55 8.413 6.445 7.027 1.00 0.00 O ATOM 922 CB SER A 55 5.981 7.885 6.743 1.00 0.00 C ATOM 923 OG SER A 55 6.476 9.104 7.267 1.00 0.00 O ATOM 0 H SER A 55 5.402 5.841 5.485 1.00 0.00 H new ATOM 0 HA SER A 55 6.971 8.252 4.874 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.938 8.014 6.454 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.004 7.122 7.521 1.00 0.00 H new ATOM 0 HG SER A 55 5.931 9.375 8.035 1.00 0.00 H new ATOM 929 N PHE A 56 9.123 6.856 4.931 1.00 0.00 N ATOM 930 CA PHE A 56 10.451 6.274 5.150 1.00 0.00 C ATOM 931 C PHE A 56 11.306 7.143 6.064 1.00 0.00 C ATOM 932 O PHE A 56 11.347 8.370 5.909 1.00 0.00 O ATOM 933 CB PHE A 56 11.189 5.990 3.834 1.00 0.00 C ATOM 934 CG PHE A 56 12.442 5.128 3.971 1.00 0.00 C ATOM 935 CD1 PHE A 56 12.308 3.752 4.241 1.00 0.00 C ATOM 936 CD2 PHE A 56 13.738 5.674 3.835 1.00 0.00 C ATOM 937 CE1 PHE A 56 13.437 2.927 4.377 1.00 0.00 C ATOM 938 CE2 PHE A 56 14.868 4.843 3.971 1.00 0.00 C ATOM 939 CZ PHE A 56 14.722 3.473 4.248 1.00 0.00 C ATOM 0 H PHE A 56 8.984 7.244 3.998 1.00 0.00 H new ATOM 0 HA PHE A 56 10.285 5.318 5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.500 5.497 3.148 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.468 6.940 3.379 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.322 3.324 4.345 1.00 0.00 H new ATOM 0 HD2 PHE A 56 13.862 6.726 3.627 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.315 1.873 4.581 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.857 5.263 3.861 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.593 2.845 4.361 1.00 0.00 H new ATOM 949 N LEU A 57 12.035 6.493 6.969 1.00 0.00 N ATOM 950 CA LEU A 57 12.852 7.116 8.005 1.00 0.00 C ATOM 951 C LEU A 57 14.324 7.021 7.592 1.00 0.00 C ATOM 952 O LEU A 57 15.128 6.270 8.145 1.00 0.00 O ATOM 953 CB LEU A 57 12.515 6.466 9.360 1.00 0.00 C ATOM 954 CG LEU A 57 12.126 7.470 10.455 1.00 0.00 C ATOM 955 CD1 LEU A 57 11.717 6.696 11.711 1.00 0.00 C ATOM 956 CD2 LEU A 57 13.269 8.432 10.791 1.00 0.00 C ATOM 0 H LEU A 57 12.073 5.474 7.001 1.00 0.00 H new ATOM 0 HA LEU A 57 12.639 8.179 8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.695 5.762 9.219 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.376 5.890 9.699 1.00 0.00 H new ATOM 0 HG LEU A 57 11.296 8.072 10.085 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.438 7.398 12.497 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.868 6.053 11.481 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.554 6.085 12.050 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.946 9.123 11.570 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.130 7.865 11.143 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.545 8.995 9.899 1.00 0.00 H new ATOM 968 N GLY A 58 14.653 7.769 6.547 1.00 0.00 N ATOM 969 CA GLY A 58 15.957 7.792 5.886 1.00 0.00 C ATOM 970 C GLY A 58 16.148 9.089 5.106 1.00 0.00 C ATOM 971 O GLY A 58 15.485 10.085 5.404 1.00 0.00 O ATOM 0 H GLY A 58 13.987 8.409 6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.748 7.690 6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.042 6.941 5.211 1.00 0.00 H new ATOM 975 N THR A 59 17.077 9.127 4.148 1.00 0.00 N ATOM 976 CA THR A 59 17.209 10.261 3.229 1.00 0.00 C ATOM 977 C THR A 59 16.022 10.285 2.259 1.00 0.00 C ATOM 978 O THR A 59 15.428 9.236 1.987 1.00 0.00 O ATOM 979 CB THR A 59 18.555 10.204 2.474 1.00 0.00 C ATOM 980 OG1 THR A 59 18.812 8.898 2.004 1.00 0.00 O ATOM 981 CG2 THR A 59 19.694 10.651 3.386 1.00 0.00 C ATOM 0 H THR A 59 17.753 8.380 3.988 1.00 0.00 H new ATOM 0 HA THR A 59 17.201 11.187 3.805 1.00 0.00 H new ATOM 0 HB THR A 59 18.491 10.879 1.620 1.00 0.00 H new ATOM 0 HG1 THR A 59 19.668 8.884 1.527 1.00 0.00 H new ATOM 0 HG21 THR A 59 20.636 10.606 2.840 1.00 0.00 H new ATOM 0 HG22 THR A 59 19.515 11.674 3.717 1.00 0.00 H new ATOM 0 HG23 THR A 59 19.745 9.993 4.253 1.00 0.00 H new ATOM 989 N PRO A 60 15.704 11.448 1.660 1.00 0.00 N ATOM 990 CA PRO A 60 14.687 11.534 0.624 1.00 0.00 C ATOM 991 C PRO A 60 15.187 10.914 -0.693 1.00 0.00 C ATOM 992 O PRO A 60 14.404 10.795 -1.638 1.00 0.00 O ATOM 993 CB PRO A 60 14.385 13.031 0.504 1.00 0.00 C ATOM 994 CG PRO A 60 15.736 13.679 0.801 1.00 0.00 C ATOM 995 CD PRO A 60 16.326 12.752 1.865 1.00 0.00 C ATOM 0 HA PRO A 60 13.785 10.972 0.866 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.023 13.291 -0.491 1.00 0.00 H new ATOM 0 HB3 PRO A 60 13.621 13.347 1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 60 16.366 13.728 -0.087 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.624 14.699 1.169 1.00 0.00 H new ATOM 0 HD2 PRO A 60 17.410 12.686 1.766 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.120 13.128 2.867 1.00 0.00 H new ATOM 1003 N GLU A 61 16.470 10.546 -0.770 1.00 0.00 N ATOM 1004 CA GLU A 61 17.103 9.830 -1.867 1.00 0.00 C ATOM 1005 C GLU A 61 16.910 8.325 -1.655 1.00 0.00 C ATOM 1006 O GLU A 61 16.330 7.677 -2.522 1.00 0.00 O ATOM 1007 CB GLU A 61 18.586 10.229 -1.940 1.00 0.00 C ATOM 1008 CG GLU A 61 18.757 11.664 -2.450 1.00 0.00 C ATOM 1009 CD GLU A 61 20.205 12.136 -2.330 1.00 0.00 C ATOM 1010 OE1 GLU A 61 20.569 12.713 -1.281 1.00 0.00 O ATOM 1011 OE2 GLU A 61 20.962 12.017 -3.323 1.00 0.00 O ATOM 0 H GLU A 61 17.128 10.756 -0.020 1.00 0.00 H new ATOM 0 HA GLU A 61 16.647 10.091 -2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 61 19.038 10.136 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 61 19.117 9.542 -2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 61 18.441 11.720 -3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 61 18.108 12.332 -1.883 1.00 0.00 H new ATOM 1018 N GLU A 62 17.283 7.771 -0.490 1.00 0.00 N ATOM 1019 CA GLU A 62 17.011 6.366 -0.170 1.00 0.00 C ATOM 1020 C GLU A 62 15.521 6.074 -0.262 1.00 0.00 C ATOM 1021 O GLU A 62 15.139 5.077 -0.867 1.00 0.00 O ATOM 1022 CB GLU A 62 17.512 5.997 1.233 1.00 0.00 C ATOM 1023 CG GLU A 62 18.977 5.546 1.220 1.00 0.00 C ATOM 1024 CD GLU A 62 19.066 4.023 1.087 1.00 0.00 C ATOM 1025 OE1 GLU A 62 19.003 3.501 -0.050 1.00 0.00 O ATOM 1026 OE2 GLU A 62 19.158 3.338 2.132 1.00 0.00 O ATOM 0 H GLU A 62 17.775 8.279 0.245 1.00 0.00 H new ATOM 0 HA GLU A 62 17.549 5.762 -0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 62 17.403 6.857 1.894 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.891 5.200 1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 62 19.503 6.021 0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 62 19.471 5.867 2.137 1.00 0.00 H new ATOM 1033 N ARG A 63 14.679 6.963 0.277 1.00 0.00 N ATOM 1034 CA ARG A 63 13.226 6.838 0.204 1.00 0.00 C ATOM 1035 C ARG A 63 12.727 6.675 -1.242 1.00 0.00 C ATOM 1036 O ARG A 63 11.629 6.154 -1.434 1.00 0.00 O ATOM 1037 CB ARG A 63 12.601 8.056 0.915 1.00 0.00 C ATOM 1038 CG ARG A 63 11.069 8.045 0.882 1.00 0.00 C ATOM 1039 CD ARG A 63 10.398 9.143 1.718 1.00 0.00 C ATOM 1040 NE ARG A 63 10.713 10.466 1.173 1.00 0.00 N ATOM 1041 CZ ARG A 63 10.321 11.665 1.613 1.00 0.00 C ATOM 1042 NH1 ARG A 63 9.449 11.822 2.599 1.00 0.00 N ATOM 1043 NH2 ARG A 63 10.833 12.741 1.031 1.00 0.00 N ATOM 0 H ARG A 63 14.993 7.794 0.779 1.00 0.00 H new ATOM 0 HA ARG A 63 12.911 5.927 0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 63 12.937 8.077 1.952 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.963 8.970 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.741 8.145 -0.153 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.719 7.075 1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.318 8.994 1.726 1.00 0.00 H new ATOM 0 HD3 ARG A 63 10.736 9.079 2.752 1.00 0.00 H new ATOM 0 HE ARG A 63 11.312 10.473 0.347 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.045 11.005 3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.182 12.760 2.899 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.505 12.638 0.271 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.554 13.671 1.343 1.00 0.00 H new ATOM 1057 N LYS A 64 13.480 7.110 -2.260 1.00 0.00 N ATOM 1058 CA LYS A 64 13.084 6.885 -3.643 1.00 0.00 C ATOM 1059 C LYS A 64 13.532 5.546 -4.189 1.00 0.00 C ATOM 1060 O LYS A 64 12.845 5.001 -5.046 1.00 0.00 O ATOM 1061 CB LYS A 64 13.592 8.002 -4.557 1.00 0.00 C ATOM 1062 CG LYS A 64 12.726 9.265 -4.488 1.00 0.00 C ATOM 1063 CD LYS A 64 12.999 10.248 -5.632 1.00 0.00 C ATOM 1064 CE LYS A 64 12.453 9.698 -6.954 1.00 0.00 C ATOM 1065 NZ LYS A 64 12.759 10.586 -8.089 1.00 0.00 N ATOM 0 H LYS A 64 14.359 7.615 -2.147 1.00 0.00 H new ATOM 0 HA LYS A 64 11.994 6.885 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.616 8.254 -4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.618 7.641 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.675 8.978 -4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.902 9.767 -3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.535 11.209 -5.412 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.071 10.424 -5.720 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.879 8.712 -7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.374 9.569 -6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.372 10.177 -8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.331 11.520 -7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.790 10.689 -8.181 1.00 0.00 H new ATOM 1079 N GLU A 65 14.636 4.977 -3.727 1.00 0.00 N ATOM 1080 CA GLU A 65 15.010 3.634 -4.166 1.00 0.00 C ATOM 1081 C GLU A 65 14.021 2.577 -3.642 1.00 0.00 C ATOM 1082 O GLU A 65 13.879 1.508 -4.244 1.00 0.00 O ATOM 1083 CB GLU A 65 16.476 3.360 -3.800 1.00 0.00 C ATOM 1084 CG GLU A 65 17.001 2.085 -4.476 1.00 0.00 C ATOM 1085 CD GLU A 65 18.431 2.247 -4.990 1.00 0.00 C ATOM 1086 OE1 GLU A 65 19.416 2.026 -4.243 1.00 0.00 O ATOM 1087 OE2 GLU A 65 18.599 2.572 -6.189 1.00 0.00 O ATOM 0 H GLU A 65 15.278 5.410 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 65 14.940 3.568 -5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 65 17.090 4.209 -4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 65 16.569 3.263 -2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 65 16.964 1.259 -3.766 1.00 0.00 H new ATOM 0 HG3 GLU A 65 16.347 1.821 -5.307 1.00 0.00 H new ATOM 1094 N THR A 66 13.279 2.876 -2.568 1.00 0.00 N ATOM 1095 CA THR A 66 12.369 1.915 -1.961 1.00 0.00 C ATOM 1096 C THR A 66 11.048 1.757 -2.706 1.00 0.00 C ATOM 1097 O THR A 66 10.418 0.700 -2.592 1.00 0.00 O ATOM 1098 CB THR A 66 12.152 2.252 -0.475 1.00 0.00 C ATOM 1099 OG1 THR A 66 11.630 3.541 -0.238 1.00 0.00 O ATOM 1100 CG2 THR A 66 13.481 2.264 0.268 1.00 0.00 C ATOM 0 H THR A 66 13.297 3.784 -2.104 1.00 0.00 H new ATOM 0 HA THR A 66 12.850 0.940 -2.037 1.00 0.00 H new ATOM 0 HB THR A 66 11.452 1.488 -0.138 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.773 4.102 -1.029 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.309 2.504 1.317 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.949 1.283 0.192 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.138 3.014 -0.173 1.00 0.00 H new ATOM 1108 N VAL A 67 10.627 2.767 -3.474 1.00 0.00 N ATOM 1109 CA VAL A 67 9.349 2.704 -4.169 1.00 0.00 C ATOM 1110 C VAL A 67 9.391 1.603 -5.227 1.00 0.00 C ATOM 1111 O VAL A 67 8.386 0.924 -5.431 1.00 0.00 O ATOM 1112 CB VAL A 67 8.980 4.087 -4.735 1.00 0.00 C ATOM 1113 CG1 VAL A 67 9.778 4.451 -5.988 1.00 0.00 C ATOM 1114 CG2 VAL A 67 7.489 4.169 -5.057 1.00 0.00 C ATOM 0 H VAL A 67 11.151 3.629 -3.626 1.00 0.00 H new ATOM 0 HA VAL A 67 8.554 2.440 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 67 9.233 4.803 -3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.473 5.437 -6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.842 4.463 -5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.588 3.713 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.257 5.157 -5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.234 3.410 -5.797 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.911 3.999 -4.149 1.00 0.00 H new ATOM 1124 N GLU A 68 10.553 1.385 -5.852 1.00 0.00 N ATOM 1125 CA GLU A 68 10.753 0.336 -6.835 1.00 0.00 C ATOM 1126 C GLU A 68 10.539 -1.017 -6.169 1.00 0.00 C ATOM 1127 O GLU A 68 9.745 -1.812 -6.661 1.00 0.00 O ATOM 1128 CB GLU A 68 12.170 0.423 -7.435 1.00 0.00 C ATOM 1129 CG GLU A 68 12.240 1.329 -8.667 1.00 0.00 C ATOM 1130 CD GLU A 68 11.444 0.753 -9.842 1.00 0.00 C ATOM 1131 OE1 GLU A 68 11.917 -0.212 -10.497 1.00 0.00 O ATOM 1132 OE2 GLU A 68 10.340 1.270 -10.133 1.00 0.00 O ATOM 0 H GLU A 68 11.388 1.945 -5.681 1.00 0.00 H new ATOM 0 HA GLU A 68 10.036 0.458 -7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.858 0.796 -6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.506 -0.578 -7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.853 2.316 -8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.281 1.461 -8.963 1.00 0.00 H new ATOM 1139 N ILE A 69 11.195 -1.256 -5.030 1.00 0.00 N ATOM 1140 CA ILE A 69 11.110 -2.518 -4.302 1.00 0.00 C ATOM 1141 C ILE A 69 9.644 -2.810 -3.970 1.00 0.00 C ATOM 1142 O ILE A 69 9.185 -3.936 -4.156 1.00 0.00 O ATOM 1143 CB ILE A 69 12.010 -2.491 -3.040 1.00 0.00 C ATOM 1144 CG1 ILE A 69 13.484 -2.208 -3.409 1.00 0.00 C ATOM 1145 CG2 ILE A 69 11.897 -3.846 -2.315 1.00 0.00 C ATOM 1146 CD1 ILE A 69 14.382 -1.850 -2.217 1.00 0.00 C ATOM 0 H ILE A 69 11.805 -0.570 -4.586 1.00 0.00 H new ATOM 0 HA ILE A 69 11.484 -3.329 -4.926 1.00 0.00 H new ATOM 0 HB ILE A 69 11.673 -1.688 -2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.896 -3.086 -3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.514 -1.390 -4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 69 12.527 -3.836 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.861 -4.018 -2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.223 -4.644 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.398 -1.668 -2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.000 -0.953 -1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.387 -2.675 -1.505 1.00 0.00 H new ATOM 1158 N LEU A 70 8.901 -1.802 -3.504 1.00 0.00 N ATOM 1159 CA LEU A 70 7.478 -1.921 -3.206 1.00 0.00 C ATOM 1160 C LEU A 70 6.671 -2.246 -4.461 1.00 0.00 C ATOM 1161 O LEU A 70 5.828 -3.141 -4.443 1.00 0.00 O ATOM 1162 CB LEU A 70 6.982 -0.616 -2.555 1.00 0.00 C ATOM 1163 CG LEU A 70 7.135 -0.677 -1.033 1.00 0.00 C ATOM 1164 CD1 LEU A 70 7.140 0.706 -0.389 1.00 0.00 C ATOM 1165 CD2 LEU A 70 6.069 -1.561 -0.363 1.00 0.00 C ATOM 0 H LEU A 70 9.278 -0.872 -3.322 1.00 0.00 H new ATOM 0 HA LEU A 70 7.334 -2.747 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.546 0.230 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.936 -0.449 -2.814 1.00 0.00 H new ATOM 0 HG LEU A 70 8.109 -1.136 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.251 0.604 0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.971 1.289 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.202 1.214 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.227 -1.567 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.078 -1.165 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.146 -2.578 -0.747 1.00 0.00 H new ATOM 1177 N ASN A 71 6.923 -1.527 -5.551 1.00 0.00 N ATOM 1178 CA ASN A 71 6.211 -1.686 -6.814 1.00 0.00 C ATOM 1179 C ASN A 71 6.447 -3.063 -7.421 1.00 0.00 C ATOM 1180 O ASN A 71 5.543 -3.646 -8.011 1.00 0.00 O ATOM 1181 CB ASN A 71 6.636 -0.592 -7.799 1.00 0.00 C ATOM 1182 CG ASN A 71 5.708 0.597 -7.681 1.00 0.00 C ATOM 1183 OD1 ASN A 71 4.826 0.766 -8.522 1.00 0.00 O ATOM 1184 ND2 ASN A 71 5.847 1.381 -6.625 1.00 0.00 N ATOM 0 H ASN A 71 7.642 -0.804 -5.581 1.00 0.00 H new ATOM 0 HA ASN A 71 5.144 -1.592 -6.611 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.662 -0.285 -7.595 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.616 -0.980 -8.817 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.208 2.163 -6.483 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.593 1.203 -5.953 1.00 0.00 H new ATOM 1191 N ARG A 72 7.648 -3.608 -7.261 1.00 0.00 N ATOM 1192 CA ARG A 72 7.975 -4.983 -7.613 1.00 0.00 C ATOM 1193 C ARG A 72 7.224 -5.939 -6.688 1.00 0.00 C ATOM 1194 O ARG A 72 6.522 -6.827 -7.171 1.00 0.00 O ATOM 1195 CB ARG A 72 9.498 -5.176 -7.523 1.00 0.00 C ATOM 1196 CG ARG A 72 10.279 -4.381 -8.585 1.00 0.00 C ATOM 1197 CD ARG A 72 10.221 -5.021 -9.973 1.00 0.00 C ATOM 1198 NE ARG A 72 11.066 -6.219 -10.041 1.00 0.00 N ATOM 1199 CZ ARG A 72 11.263 -6.985 -11.114 1.00 0.00 C ATOM 1200 NH1 ARG A 72 10.591 -6.772 -12.244 1.00 0.00 N ATOM 1201 NH2 ARG A 72 12.168 -7.952 -11.035 1.00 0.00 N ATOM 0 H ARG A 72 8.439 -3.093 -6.874 1.00 0.00 H new ATOM 0 HA ARG A 72 7.665 -5.201 -8.635 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.837 -4.874 -6.532 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.729 -6.236 -7.630 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.878 -3.369 -8.641 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.320 -4.295 -8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.191 -5.285 -10.212 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.547 -4.300 -10.723 1.00 0.00 H new ATOM 0 HE ARG A 72 11.549 -6.492 -9.185 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.912 -6.012 -12.298 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.755 -7.368 -13.055 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.690 -8.092 -10.170 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.342 -8.555 -11.839 1.00 0.00 H new ATOM 1215 N ALA A 73 7.327 -5.746 -5.372 1.00 0.00 N ATOM 1216 CA ALA A 73 6.722 -6.594 -4.348 1.00 0.00 C ATOM 1217 C ALA A 73 5.187 -6.578 -4.344 1.00 0.00 C ATOM 1218 O ALA A 73 4.572 -7.377 -3.636 1.00 0.00 O ATOM 1219 CB ALA A 73 7.240 -6.150 -2.981 1.00 0.00 C ATOM 0 H ALA A 73 7.853 -4.966 -4.978 1.00 0.00 H new ATOM 0 HA ALA A 73 7.009 -7.620 -4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.798 -6.774 -2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.325 -6.250 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.967 -5.109 -2.809 1.00 0.00 H new ATOM 1225 N LYS A 74 4.540 -5.700 -5.121 1.00 0.00 N ATOM 1226 CA LYS A 74 3.093 -5.601 -5.261 1.00 0.00 C ATOM 1227 C LYS A 74 2.415 -6.956 -5.425 1.00 0.00 C ATOM 1228 O LYS A 74 1.335 -7.112 -4.868 1.00 0.00 O ATOM 1229 CB LYS A 74 2.769 -4.750 -6.492 1.00 0.00 C ATOM 1230 CG LYS A 74 2.449 -3.286 -6.216 1.00 0.00 C ATOM 1231 CD LYS A 74 1.934 -2.637 -7.506 1.00 0.00 C ATOM 1232 CE LYS A 74 0.507 -3.063 -7.856 1.00 0.00 C ATOM 1233 NZ LYS A 74 0.088 -2.442 -9.124 1.00 0.00 N ATOM 0 H LYS A 74 5.036 -5.014 -5.690 1.00 0.00 H new ATOM 0 HA LYS A 74 2.714 -5.150 -4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.617 -4.795 -7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.919 -5.198 -7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.699 -3.206 -5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.339 -2.766 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.969 -1.553 -7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.599 -2.899 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.454 -4.149 -7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.174 -2.771 -7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.710 -2.975 -9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.205 -1.460 -8.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.883 -2.452 -9.795 1.00 0.00 H new ATOM 1247 N GLY A 75 2.999 -7.901 -6.168 1.00 0.00 N ATOM 1248 CA GLY A 75 2.411 -9.220 -6.367 1.00 0.00 C ATOM 1249 C GLY A 75 2.192 -9.906 -5.025 1.00 0.00 C ATOM 1250 O GLY A 75 1.043 -10.142 -4.632 1.00 0.00 O ATOM 0 H GLY A 75 3.891 -7.769 -6.646 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.462 -9.127 -6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.066 -9.828 -6.992 1.00 0.00 H new ATOM 1254 N PHE A 76 3.290 -10.147 -4.304 1.00 0.00 N ATOM 1255 CA PHE A 76 3.311 -10.751 -2.977 1.00 0.00 C ATOM 1256 C PHE A 76 2.418 -9.998 -1.995 1.00 0.00 C ATOM 1257 O PHE A 76 1.764 -10.624 -1.159 1.00 0.00 O ATOM 1258 CB PHE A 76 4.746 -10.768 -2.448 1.00 0.00 C ATOM 1259 CG PHE A 76 4.904 -11.478 -1.117 1.00 0.00 C ATOM 1260 CD1 PHE A 76 4.668 -10.781 0.084 1.00 0.00 C ATOM 1261 CD2 PHE A 76 5.327 -12.821 -1.071 1.00 0.00 C ATOM 1262 CE1 PHE A 76 4.845 -11.424 1.318 1.00 0.00 C ATOM 1263 CE2 PHE A 76 5.522 -13.454 0.169 1.00 0.00 C ATOM 1264 CZ PHE A 76 5.267 -12.764 1.364 1.00 0.00 C ATOM 0 H PHE A 76 4.223 -9.916 -4.645 1.00 0.00 H new ATOM 0 HA PHE A 76 2.927 -11.767 -3.067 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.388 -11.251 -3.184 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.096 -9.741 -2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.350 -9.749 0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.501 -13.364 -1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.656 -10.888 2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.870 -14.476 0.202 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.394 -13.260 2.315 1.00 0.00 H new ATOM 1274 N PHE A 77 2.375 -8.666 -2.074 1.00 0.00 N ATOM 1275 CA PHE A 77 1.429 -7.896 -1.289 1.00 0.00 C ATOM 1276 C PHE A 77 0.004 -8.307 -1.665 1.00 0.00 C ATOM 1277 O PHE A 77 -0.697 -8.894 -0.849 1.00 0.00 O ATOM 1278 CB PHE A 77 1.690 -6.383 -1.423 1.00 0.00 C ATOM 1279 CG PHE A 77 2.868 -5.911 -0.585 1.00 0.00 C ATOM 1280 CD1 PHE A 77 2.812 -6.051 0.813 1.00 0.00 C ATOM 1281 CD2 PHE A 77 4.018 -5.342 -1.169 1.00 0.00 C ATOM 1282 CE1 PHE A 77 3.886 -5.639 1.618 1.00 0.00 C ATOM 1283 CE2 PHE A 77 5.102 -4.962 -0.364 1.00 0.00 C ATOM 1284 CZ PHE A 77 5.034 -5.095 1.030 1.00 0.00 C ATOM 0 H PHE A 77 2.984 -8.108 -2.672 1.00 0.00 H new ATOM 0 HA PHE A 77 1.562 -8.117 -0.230 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.875 -6.142 -2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.795 -5.837 -1.124 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.934 -6.480 1.272 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.064 -5.198 -2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.826 -5.742 2.691 1.00 0.00 H new ATOM 0 HE2 PHE A 77 5.996 -4.564 -0.821 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.863 -4.780 1.647 1.00 0.00 H new ATOM 1294 N ARG A 78 -0.448 -8.011 -2.881 1.00 0.00 N ATOM 1295 CA ARG A 78 -1.858 -8.043 -3.276 1.00 0.00 C ATOM 1296 C ARG A 78 -2.468 -9.429 -3.160 1.00 0.00 C ATOM 1297 O ARG A 78 -3.650 -9.538 -2.835 1.00 0.00 O ATOM 1298 CB ARG A 78 -1.945 -7.569 -4.731 1.00 0.00 C ATOM 1299 CG ARG A 78 -3.243 -6.828 -5.060 1.00 0.00 C ATOM 1300 CD ARG A 78 -3.092 -6.031 -6.358 1.00 0.00 C ATOM 1301 NE ARG A 78 -2.925 -6.880 -7.546 1.00 0.00 N ATOM 1302 CZ ARG A 78 -3.860 -7.096 -8.479 1.00 0.00 C ATOM 1303 NH1 ARG A 78 -5.092 -6.612 -8.337 1.00 0.00 N ATOM 1304 NH2 ARG A 78 -3.564 -7.800 -9.560 1.00 0.00 N ATOM 0 H ARG A 78 0.172 -7.734 -3.642 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.420 -7.395 -2.604 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.100 -6.914 -4.942 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.852 -8.431 -5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.061 -7.542 -5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.502 -6.156 -4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.970 -5.399 -6.492 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.232 -5.367 -6.271 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.024 -7.342 -7.669 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.334 -6.068 -7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.794 -6.785 -9.057 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.624 -8.177 -9.681 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.276 -7.965 -10.272 1.00 0.00 H new ATOM 1318 N THR A 79 -1.669 -10.458 -3.419 1.00 0.00 N ATOM 1319 CA THR A 79 -2.079 -11.854 -3.282 1.00 0.00 C ATOM 1320 C THR A 79 -2.576 -12.152 -1.858 1.00 0.00 C ATOM 1321 O THR A 79 -3.593 -12.831 -1.690 1.00 0.00 O ATOM 1322 CB THR A 79 -1.041 -12.816 -3.873 1.00 0.00 C ATOM 1323 OG1 THR A 79 -1.538 -14.132 -4.008 1.00 0.00 O ATOM 1324 CG2 THR A 79 0.156 -12.860 -2.973 1.00 0.00 C ATOM 0 H THR A 79 -0.705 -10.346 -3.734 1.00 0.00 H new ATOM 0 HA THR A 79 -2.957 -12.040 -3.901 1.00 0.00 H new ATOM 0 HB THR A 79 -0.785 -12.445 -4.865 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.842 -14.707 -4.389 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.898 -13.542 -3.388 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.587 -11.862 -2.891 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.145 -13.208 -1.985 1.00 0.00 H new ATOM 1332 N PHE A 80 -1.916 -11.602 -0.835 1.00 0.00 N ATOM 1333 CA PHE A 80 -2.382 -11.617 0.548 1.00 0.00 C ATOM 1334 C PHE A 80 -3.705 -10.855 0.591 1.00 0.00 C ATOM 1335 O PHE A 80 -4.704 -11.434 0.978 1.00 0.00 O ATOM 1336 CB PHE A 80 -1.266 -11.064 1.468 1.00 0.00 C ATOM 1337 CG PHE A 80 -1.443 -11.202 2.974 1.00 0.00 C ATOM 1338 CD1 PHE A 80 -1.904 -12.402 3.548 1.00 0.00 C ATOM 1339 CD2 PHE A 80 -1.163 -10.100 3.812 1.00 0.00 C ATOM 1340 CE1 PHE A 80 -2.128 -12.477 4.934 1.00 0.00 C ATOM 1341 CE2 PHE A 80 -1.478 -10.150 5.180 1.00 0.00 C ATOM 1342 CZ PHE A 80 -1.935 -11.349 5.748 1.00 0.00 C ATOM 0 H PHE A 80 -1.023 -11.124 -0.952 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.583 -12.620 0.925 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.334 -11.559 1.195 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.143 -10.005 1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.086 -13.265 2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -0.704 -9.214 3.399 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.451 -13.408 5.376 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.369 -9.268 5.793 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.138 -11.404 6.807 1.00 0.00 H new ATOM 1352 N ILE A 81 -3.769 -9.595 0.165 1.00 0.00 N ATOM 1353 CA ILE A 81 -4.892 -8.664 0.362 1.00 0.00 C ATOM 1354 C ILE A 81 -6.189 -9.257 -0.198 1.00 0.00 C ATOM 1355 O ILE A 81 -7.228 -9.155 0.446 1.00 0.00 O ATOM 1356 CB ILE A 81 -4.549 -7.273 -0.228 1.00 0.00 C ATOM 1357 CG1 ILE A 81 -3.122 -6.806 0.125 1.00 0.00 C ATOM 1358 CG2 ILE A 81 -5.532 -6.219 0.291 1.00 0.00 C ATOM 1359 CD1 ILE A 81 -2.707 -5.442 -0.413 1.00 0.00 C ATOM 0 H ILE A 81 -3.002 -9.168 -0.355 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.059 -8.516 1.429 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.620 -7.379 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.026 -6.790 1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.417 -7.550 -0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.279 -5.246 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.546 -6.490 -0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.471 -6.169 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.686 -5.223 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.760 -5.449 -1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.378 -4.677 -0.022 1.00 0.00 H new ATOM 1371 N ALA A 82 -6.146 -9.918 -1.357 1.00 0.00 N ATOM 1372 CA ALA A 82 -7.325 -10.517 -1.978 1.00 0.00 C ATOM 1373 C ALA A 82 -7.983 -11.608 -1.117 1.00 0.00 C ATOM 1374 O ALA A 82 -9.177 -11.854 -1.271 1.00 0.00 O ATOM 1375 CB ALA A 82 -6.919 -11.078 -3.339 1.00 0.00 C ATOM 0 H ALA A 82 -5.288 -10.052 -1.892 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.079 -9.737 -2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.787 -11.530 -3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.536 -10.272 -3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.144 -11.833 -3.205 1.00 0.00 H new ATOM 1381 N LYS A 83 -7.240 -12.226 -0.192 1.00 0.00 N ATOM 1382 CA LYS A 83 -7.767 -13.115 0.838 1.00 0.00 C ATOM 1383 C LYS A 83 -8.803 -12.351 1.659 1.00 0.00 C ATOM 1384 O LYS A 83 -9.985 -12.689 1.621 1.00 0.00 O ATOM 1385 CB LYS A 83 -6.588 -13.605 1.698 1.00 0.00 C ATOM 1386 CG LYS A 83 -6.863 -14.666 2.763 1.00 0.00 C ATOM 1387 CD LYS A 83 -5.567 -14.862 3.571 1.00 0.00 C ATOM 1388 CE LYS A 83 -5.788 -15.707 4.825 1.00 0.00 C ATOM 1389 NZ LYS A 83 -4.662 -15.577 5.771 1.00 0.00 N ATOM 0 H LYS A 83 -6.227 -12.115 -0.142 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.261 -13.986 0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.826 -13.998 1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.156 -12.737 2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.677 -14.351 3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.170 -15.603 2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.817 -15.340 2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.169 -13.888 3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.712 -15.400 5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.909 -16.753 4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.844 -16.163 6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.784 -15.894 5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.563 -14.582 6.058 1.00 0.00 H new ATOM 1403 N ASN A 84 -8.379 -11.318 2.399 1.00 0.00 N ATOM 1404 CA ASN A 84 -9.248 -10.743 3.422 1.00 0.00 C ATOM 1405 C ASN A 84 -10.225 -9.748 2.799 1.00 0.00 C ATOM 1406 O ASN A 84 -11.376 -9.658 3.239 1.00 0.00 O ATOM 1407 CB ASN A 84 -8.415 -10.094 4.528 1.00 0.00 C ATOM 1408 CG ASN A 84 -7.771 -11.126 5.452 1.00 0.00 C ATOM 1409 OD1 ASN A 84 -8.345 -11.517 6.463 1.00 0.00 O ATOM 1410 ND2 ASN A 84 -6.588 -11.627 5.146 1.00 0.00 N ATOM 0 H ASN A 84 -7.464 -10.876 2.310 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.835 -11.543 3.874 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.637 -9.477 4.079 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -9.049 -9.430 5.115 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.161 -12.331 5.748 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.101 -11.310 4.308 1.00 0.00 H new ATOM 1417 N LEU A 85 -9.799 -9.055 1.734 1.00 0.00 N ATOM 1418 CA LEU A 85 -10.612 -8.145 0.919 1.00 0.00 C ATOM 1419 C LEU A 85 -11.610 -8.821 0.027 1.00 0.00 C ATOM 1420 O LEU A 85 -12.447 -8.107 -0.537 1.00 0.00 O ATOM 1421 CB LEU A 85 -9.712 -7.207 0.100 1.00 0.00 C ATOM 1422 CG LEU A 85 -10.349 -5.818 -0.126 1.00 0.00 C ATOM 1423 CD1 LEU A 85 -9.372 -4.771 0.410 1.00 0.00 C ATOM 1424 CD2 LEU A 85 -10.684 -5.523 -1.595 1.00 0.00 C ATOM 0 H LEU A 85 -8.836 -9.117 1.404 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.203 -7.571 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.758 -7.086 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.499 -7.666 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.303 -5.792 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.791 -3.775 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.201 -4.943 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.426 -4.848 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.128 -4.531 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.772 -5.562 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.390 -6.267 -1.964 1.00 0.00 H new ATOM 1436 N ARG A 86 -11.606 -10.158 0.016 1.00 0.00 N ATOM 1437 CA ARG A 86 -12.701 -10.887 -0.552 1.00 0.00 C ATOM 1438 C ARG A 86 -12.934 -10.422 -1.984 1.00 0.00 C ATOM 1439 O ARG A 86 -12.033 -9.959 -2.691 1.00 0.00 O ATOM 1440 CB ARG A 86 -13.895 -10.988 0.424 1.00 0.00 C ATOM 1441 CG ARG A 86 -14.814 -9.764 0.577 1.00 0.00 C ATOM 1442 CD ARG A 86 -14.501 -8.865 1.781 1.00 0.00 C ATOM 1443 NE ARG A 86 -15.706 -8.141 2.256 1.00 0.00 N ATOM 1444 CZ ARG A 86 -16.255 -8.250 3.476 1.00 0.00 C ATOM 1445 NH1 ARG A 86 -15.712 -9.048 4.384 1.00 0.00 N ATOM 1446 NH2 ARG A 86 -17.342 -7.562 3.805 1.00 0.00 N ATOM 0 H ARG A 86 -10.856 -10.736 0.395 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.473 -11.946 -0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.512 -11.830 0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.500 -11.233 1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.750 -9.165 -0.331 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -15.844 -10.110 0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.098 -9.471 2.592 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.729 -8.146 1.507 1.00 0.00 H new ATOM 0 HE ARG A 86 -16.156 -7.505 1.598 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.873 -9.583 4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.133 -9.128 5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -17.775 -6.937 3.125 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.744 -7.659 4.737 1.00 0.00 H new ATOM 1460 N LEU A 87 -14.140 -10.717 -2.417 1.00 0.00 N ATOM 1461 CA LEU A 87 -14.744 -10.304 -3.678 1.00 0.00 C ATOM 1462 C LEU A 87 -14.097 -11.063 -4.841 1.00 0.00 C ATOM 1463 O LEU A 87 -14.729 -11.963 -5.384 1.00 0.00 O ATOM 1464 CB LEU A 87 -14.709 -8.763 -3.794 1.00 0.00 C ATOM 1465 CG LEU A 87 -15.825 -8.155 -4.658 1.00 0.00 C ATOM 1466 CD1 LEU A 87 -15.746 -6.628 -4.554 1.00 0.00 C ATOM 1467 CD2 LEU A 87 -15.733 -8.562 -6.129 1.00 0.00 C ATOM 0 H LEU A 87 -14.774 -11.292 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 87 -15.800 -10.572 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.771 -8.336 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.746 -8.466 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 87 -16.775 -8.534 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -16.532 -6.181 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -15.876 -6.327 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -14.774 -6.289 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -16.548 -8.101 -6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.780 -8.230 -6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.805 -9.646 -6.212 1.00 0.00 H new ATOM 1479 N TYR A 88 -12.853 -10.759 -5.220 1.00 0.00 N ATOM 1480 CA TYR A 88 -12.014 -11.664 -6.003 1.00 0.00 C ATOM 1481 C TYR A 88 -10.548 -11.261 -5.863 1.00 0.00 C ATOM 1482 O TYR A 88 -9.712 -12.083 -5.487 1.00 0.00 O ATOM 1483 CB TYR A 88 -12.431 -11.693 -7.485 1.00 0.00 C ATOM 1484 CG TYR A 88 -11.910 -12.894 -8.251 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -12.314 -14.190 -7.883 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -11.060 -12.729 -9.361 1.00 0.00 C ATOM 1487 CE1 TYR A 88 -11.868 -15.303 -8.614 1.00 0.00 C ATOM 1488 CE2 TYR A 88 -10.576 -13.836 -10.074 1.00 0.00 C ATOM 1489 CZ TYR A 88 -11.007 -15.132 -9.721 1.00 0.00 C ATOM 1490 OH TYR A 88 -10.594 -16.226 -10.414 1.00 0.00 O ATOM 0 H TYR A 88 -12.400 -9.875 -4.991 1.00 0.00 H new ATOM 0 HA TYR A 88 -12.149 -12.673 -5.612 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -13.519 -11.681 -7.546 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -12.075 -10.784 -7.970 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -12.969 -14.330 -7.036 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.776 -11.734 -9.669 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -12.185 -16.295 -8.328 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.879 -13.697 -10.887 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.007 -15.946 -11.148 1.00 0.00 H new ATOM 1500 N VAL A 89 -10.228 -9.999 -6.168 1.00 0.00 N ATOM 1501 CA VAL A 89 -8.884 -9.450 -6.138 1.00 0.00 C ATOM 1502 C VAL A 89 -8.901 -8.075 -5.476 1.00 0.00 C ATOM 1503 O VAL A 89 -9.803 -7.262 -5.706 1.00 0.00 O ATOM 1504 CB VAL A 89 -8.290 -9.329 -7.557 1.00 0.00 C ATOM 1505 CG1 VAL A 89 -6.766 -9.326 -7.454 1.00 0.00 C ATOM 1506 CG2 VAL A 89 -8.712 -10.432 -8.529 1.00 0.00 C ATOM 0 H VAL A 89 -10.929 -9.314 -6.452 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.258 -10.132 -5.563 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.683 -8.399 -7.967 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.334 -9.241 -8.451 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -6.444 -8.481 -6.846 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.431 -10.254 -6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.244 -10.261 -9.499 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.397 -11.400 -8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.796 -10.422 -8.642 1.00 0.00 H new ATOM 1516 N ALA A 90 -7.846 -7.791 -4.717 1.00 0.00 N ATOM 1517 CA ALA A 90 -7.588 -6.499 -4.100 1.00 0.00 C ATOM 1518 C ALA A 90 -7.199 -5.419 -5.129 1.00 0.00 C ATOM 1519 O ALA A 90 -6.704 -5.781 -6.202 1.00 0.00 O ATOM 1520 CB ALA A 90 -6.494 -6.700 -3.051 1.00 0.00 C ATOM 0 H ALA A 90 -7.124 -8.480 -4.509 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.501 -6.131 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.275 -5.748 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.834 -7.417 -2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.593 -7.078 -3.533 1.00 0.00 H new ATOM 1526 N PRO A 91 -7.384 -4.122 -4.804 1.00 0.00 N ATOM 1527 CA PRO A 91 -7.181 -2.991 -5.718 1.00 0.00 C ATOM 1528 C PRO A 91 -5.747 -2.868 -6.249 1.00 0.00 C ATOM 1529 O PRO A 91 -4.829 -3.455 -5.686 1.00 0.00 O ATOM 1530 CB PRO A 91 -7.569 -1.741 -4.912 1.00 0.00 C ATOM 1531 CG PRO A 91 -7.469 -2.185 -3.459 1.00 0.00 C ATOM 1532 CD PRO A 91 -7.924 -3.630 -3.542 1.00 0.00 C ATOM 0 HA PRO A 91 -7.789 -3.128 -6.612 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -6.897 -0.909 -5.121 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -8.577 -1.406 -5.157 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -6.453 -2.098 -3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -8.109 -1.592 -2.806 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.550 -4.211 -2.699 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -9.011 -3.704 -3.522 1.00 0.00 H new ATOM 1540 N GLU A 92 -5.531 -2.072 -7.307 1.00 0.00 N ATOM 1541 CA GLU A 92 -4.187 -1.716 -7.776 1.00 0.00 C ATOM 1542 C GLU A 92 -3.480 -0.953 -6.654 1.00 0.00 C ATOM 1543 O GLU A 92 -3.903 0.148 -6.315 1.00 0.00 O ATOM 1544 CB GLU A 92 -4.239 -0.871 -9.065 1.00 0.00 C ATOM 1545 CG GLU A 92 -2.847 -0.638 -9.671 1.00 0.00 C ATOM 1546 CD GLU A 92 -2.899 0.081 -11.029 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -2.993 1.333 -11.072 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -2.838 -0.627 -12.062 1.00 0.00 O ATOM 0 H GLU A 92 -6.282 -1.659 -7.859 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.636 -2.624 -8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.872 -1.371 -9.798 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.703 0.091 -8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.248 -0.049 -8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.344 -1.597 -9.792 1.00 0.00 H new ATOM 1555 N ILE A 93 -2.452 -1.558 -6.060 1.00 0.00 N ATOM 1556 CA ILE A 93 -1.768 -1.065 -4.873 1.00 0.00 C ATOM 1557 C ILE A 93 -0.710 -0.069 -5.357 1.00 0.00 C ATOM 1558 O ILE A 93 0.305 -0.490 -5.917 1.00 0.00 O ATOM 1559 CB ILE A 93 -1.159 -2.276 -4.108 1.00 0.00 C ATOM 1560 CG1 ILE A 93 -2.178 -3.368 -3.710 1.00 0.00 C ATOM 1561 CG2 ILE A 93 -0.353 -1.899 -2.860 1.00 0.00 C ATOM 1562 CD1 ILE A 93 -3.299 -2.919 -2.763 1.00 0.00 C ATOM 0 H ILE A 93 -2.062 -2.434 -6.407 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.435 -0.557 -4.176 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.482 -2.686 -4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.632 -3.764 -4.619 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.637 -4.189 -3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.034 -2.803 -2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.478 -1.254 -3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.997 -1.372 -2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.955 -3.763 -2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.865 -2.553 -1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.874 -2.121 -3.233 1.00 0.00 H new ATOM 1574 N ARG A 94 -0.938 1.236 -5.216 1.00 0.00 N ATOM 1575 CA ARG A 94 0.062 2.265 -5.498 1.00 0.00 C ATOM 1576 C ARG A 94 0.738 2.687 -4.194 1.00 0.00 C ATOM 1577 O ARG A 94 0.046 3.110 -3.262 1.00 0.00 O ATOM 1578 CB ARG A 94 -0.576 3.440 -6.236 1.00 0.00 C ATOM 1579 CG ARG A 94 -1.099 3.008 -7.606 1.00 0.00 C ATOM 1580 CD ARG A 94 -1.347 4.229 -8.486 1.00 0.00 C ATOM 1581 NE ARG A 94 -1.832 3.805 -9.802 1.00 0.00 N ATOM 1582 CZ ARG A 94 -1.543 4.382 -10.968 1.00 0.00 C ATOM 1583 NH1 ARG A 94 -0.924 5.558 -11.058 1.00 0.00 N ATOM 1584 NH2 ARG A 94 -1.870 3.732 -12.073 1.00 0.00 N ATOM 0 H ARG A 94 -1.832 1.613 -4.899 1.00 0.00 H new ATOM 0 HA ARG A 94 0.833 1.865 -6.156 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.395 3.846 -5.642 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.156 4.238 -6.358 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.378 2.346 -8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.023 2.442 -7.488 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -2.077 4.886 -8.014 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.426 4.802 -8.595 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.448 2.993 -9.828 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.650 6.056 -10.211 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.724 5.960 -11.974 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.327 2.822 -12.013 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.665 4.141 -12.985 1.00 0.00 H new ATOM 1598 N PHE A 95 2.052 2.482 -4.094 1.00 0.00 N ATOM 1599 CA PHE A 95 2.875 2.805 -2.936 1.00 0.00 C ATOM 1600 C PHE A 95 3.512 4.186 -3.135 1.00 0.00 C ATOM 1601 O PHE A 95 4.272 4.355 -4.087 1.00 0.00 O ATOM 1602 CB PHE A 95 3.940 1.704 -2.749 1.00 0.00 C ATOM 1603 CG PHE A 95 3.388 0.329 -2.406 1.00 0.00 C ATOM 1604 CD1 PHE A 95 2.838 0.106 -1.129 1.00 0.00 C ATOM 1605 CD2 PHE A 95 3.508 -0.752 -3.310 1.00 0.00 C ATOM 1606 CE1 PHE A 95 2.462 -1.192 -0.746 1.00 0.00 C ATOM 1607 CE2 PHE A 95 3.150 -2.053 -2.917 1.00 0.00 C ATOM 1608 CZ PHE A 95 2.634 -2.272 -1.628 1.00 0.00 C ATOM 0 H PHE A 95 2.592 2.068 -4.854 1.00 0.00 H new ATOM 0 HA PHE A 95 2.267 2.844 -2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.525 1.626 -3.665 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.625 2.012 -1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.706 0.932 -0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.877 -0.576 -4.310 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.038 -1.361 0.233 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.271 -2.880 -3.601 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.370 -3.271 -1.315 1.00 0.00 H new ATOM 1618 N TYR A 96 3.207 5.167 -2.278 1.00 0.00 N ATOM 1619 CA TYR A 96 3.604 6.575 -2.404 1.00 0.00 C ATOM 1620 C TYR A 96 4.589 6.980 -1.319 1.00 0.00 C ATOM 1621 O TYR A 96 4.356 6.732 -0.139 1.00 0.00 O ATOM 1622 CB TYR A 96 2.379 7.487 -2.274 1.00 0.00 C ATOM 1623 CG TYR A 96 1.441 7.397 -3.446 1.00 0.00 C ATOM 1624 CD1 TYR A 96 1.658 8.178 -4.598 1.00 0.00 C ATOM 1625 CD2 TYR A 96 0.377 6.486 -3.401 1.00 0.00 C ATOM 1626 CE1 TYR A 96 0.837 8.026 -5.727 1.00 0.00 C ATOM 1627 CE2 TYR A 96 -0.431 6.329 -4.528 1.00 0.00 C ATOM 1628 CZ TYR A 96 -0.205 7.078 -5.692 1.00 0.00 C ATOM 1629 OH TYR A 96 -1.013 6.867 -6.757 1.00 0.00 O ATOM 0 H TYR A 96 2.652 4.994 -1.440 1.00 0.00 H new ATOM 0 HA TYR A 96 4.071 6.683 -3.383 1.00 0.00 H new ATOM 0 HB2 TYR A 96 1.838 7.228 -1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.713 8.519 -2.164 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.462 8.899 -4.613 1.00 0.00 H new ATOM 0 HD2 TYR A 96 0.185 5.913 -2.506 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.002 8.627 -6.609 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -1.244 5.619 -4.503 1.00 0.00 H new ATOM 0 HH TYR A 96 -1.938 6.764 -6.450 1.00 0.00 H new ATOM 1639 N GLU A 97 5.657 7.680 -1.684 1.00 0.00 N ATOM 1640 CA GLU A 97 6.782 8.015 -0.816 1.00 0.00 C ATOM 1641 C GLU A 97 6.501 9.222 0.100 1.00 0.00 C ATOM 1642 O GLU A 97 7.370 10.081 0.270 1.00 0.00 O ATOM 1643 CB GLU A 97 8.050 8.261 -1.649 1.00 0.00 C ATOM 1644 CG GLU A 97 8.327 7.295 -2.805 1.00 0.00 C ATOM 1645 CD GLU A 97 7.811 7.941 -4.087 1.00 0.00 C ATOM 1646 OE1 GLU A 97 6.580 7.883 -4.318 1.00 0.00 O ATOM 1647 OE2 GLU A 97 8.600 8.644 -4.746 1.00 0.00 O ATOM 0 H GLU A 97 5.768 8.045 -2.630 1.00 0.00 H new ATOM 0 HA GLU A 97 6.936 7.156 -0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.995 9.270 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.907 8.236 -0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.395 7.090 -2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.831 6.340 -2.632 1.00 0.00 H new ATOM 1654 N ASP A 98 5.304 9.288 0.697 1.00 0.00 N ATOM 1655 CA ASP A 98 4.883 10.325 1.648 1.00 0.00 C ATOM 1656 C ASP A 98 5.021 11.727 1.023 1.00 0.00 C ATOM 1657 O ASP A 98 5.919 12.517 1.323 1.00 0.00 O ATOM 1658 CB ASP A 98 5.580 10.090 3.018 1.00 0.00 C ATOM 1659 CG ASP A 98 5.977 11.339 3.818 1.00 0.00 C ATOM 1660 OD1 ASP A 98 5.095 12.180 4.114 1.00 0.00 O ATOM 1661 OD2 ASP A 98 7.172 11.441 4.192 1.00 0.00 O ATOM 0 H ASP A 98 4.575 8.595 0.525 1.00 0.00 H new ATOM 0 HA ASP A 98 3.818 10.257 1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.916 9.487 3.638 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.479 9.498 2.844 1.00 0.00 H new ATOM 1666 N LYS A 99 4.115 12.033 0.084 1.00 0.00 N ATOM 1667 CA LYS A 99 3.925 13.385 -0.444 1.00 0.00 C ATOM 1668 C LYS A 99 2.444 13.661 -0.679 1.00 0.00 C ATOM 1669 O LYS A 99 1.895 14.549 -0.032 1.00 0.00 O ATOM 1670 CB LYS A 99 4.737 13.626 -1.731 1.00 0.00 C ATOM 1671 CG LYS A 99 6.245 13.441 -1.536 1.00 0.00 C ATOM 1672 CD LYS A 99 7.071 13.744 -2.783 1.00 0.00 C ATOM 1673 CE LYS A 99 6.906 15.179 -3.281 1.00 0.00 C ATOM 1674 NZ LYS A 99 7.821 15.453 -4.401 1.00 0.00 N ATOM 0 H LYS A 99 3.490 11.342 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 99 4.300 14.083 0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.391 12.941 -2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.545 14.637 -2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.579 14.088 -0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.438 12.414 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.123 13.560 -2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.783 13.055 -3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.876 15.342 -3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.102 15.876 -2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.692 16.433 -4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.803 15.318 -4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.615 14.801 -5.185 1.00 0.00 H new