USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 THR OG1 : rot 180:sc= 0.446 USER MOD Set 1.2: A 66 GLN : amide:sc= 0.493 X(o=0.94,f=0.47) USER MOD Set 2.1: A 37 SER OG : rot 180:sc=0.000979 USER MOD Set 2.2: A 40 GLN : amide:sc= 0.769 K(o=0.77,f=-5!) USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 33 GLN : amide:sc= -0.587 K(o=-0.59,f=0) USER MOD Single : A 23 TYR OH : rot 34:sc= 1.25 USER MOD Single : A 24 TYR OH : rot -172:sc= 1.26 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0.931 K(o=0.93,f=-0.15) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 53 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.106) USER MOD Single : A 57 SER OG : rot -92:sc= 0.427 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0.372 X(o=0.37,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 152 N TYR A 23 7.712 -5.411 11.503 1.00 0.00 N ATOM 153 CA TYR A 23 6.916 -4.828 10.437 1.00 0.00 C ATOM 154 C TYR A 23 6.128 -3.571 10.759 1.00 0.00 C ATOM 155 O TYR A 23 5.493 -3.473 11.815 1.00 0.00 O ATOM 156 CB TYR A 23 5.952 -5.879 9.945 1.00 0.00 C ATOM 157 CG TYR A 23 5.015 -5.539 8.804 1.00 0.00 C ATOM 158 CD1 TYR A 23 5.489 -5.411 7.498 1.00 0.00 C ATOM 159 CD2 TYR A 23 3.646 -5.406 9.099 1.00 0.00 C ATOM 160 CE1 TYR A 23 4.563 -5.268 6.454 1.00 0.00 C ATOM 161 CE2 TYR A 23 2.733 -5.326 8.051 1.00 0.00 C ATOM 162 CZ TYR A 23 3.185 -5.347 6.715 1.00 0.00 C ATOM 163 OH TYR A 23 2.248 -5.405 5.723 1.00 0.00 O ATOM 0 HA TYR A 23 7.646 -4.505 9.695 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.538 -6.747 9.642 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.340 -6.187 10.793 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.550 -5.422 7.295 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.308 -5.367 10.124 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.911 -5.097 5.446 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.677 -5.248 8.261 1.00 0.00 H new ATOM 0 HH TYR A 23 2.609 -5.903 4.960 1.00 0.00 H new ATOM 173 N TYR A 24 6.012 -2.599 9.860 1.00 0.00 N ATOM 174 CA TYR A 24 5.191 -1.413 10.028 1.00 0.00 C ATOM 175 C TYR A 24 3.706 -1.669 10.261 1.00 0.00 C ATOM 176 O TYR A 24 3.110 -2.550 9.638 1.00 0.00 O ATOM 177 CB TYR A 24 5.286 -0.407 8.875 1.00 0.00 C ATOM 178 CG TYR A 24 5.222 -1.078 7.534 1.00 0.00 C ATOM 179 CD1 TYR A 24 6.432 -1.480 6.948 1.00 0.00 C ATOM 180 CD2 TYR A 24 4.030 -1.148 6.813 1.00 0.00 C ATOM 181 CE1 TYR A 24 6.473 -2.117 5.700 1.00 0.00 C ATOM 182 CE2 TYR A 24 4.049 -1.737 5.537 1.00 0.00 C ATOM 183 CZ TYR A 24 5.269 -2.183 4.986 1.00 0.00 C ATOM 184 OH TYR A 24 5.259 -2.877 3.821 1.00 0.00 O ATOM 0 H TYR A 24 6.504 -2.619 8.967 1.00 0.00 H new ATOM 0 HA TYR A 24 5.630 -0.997 10.934 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.474 0.316 8.957 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.219 0.151 8.957 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.357 -1.293 7.473 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.112 -0.758 7.227 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.388 -2.536 5.308 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.131 -1.848 4.979 1.00 0.00 H new ATOM 0 HH TYR A 24 4.402 -2.739 3.365 1.00 0.00 H new ATOM 194 N LYS A 25 3.099 -0.866 11.132 1.00 0.00 N ATOM 195 CA LYS A 25 1.799 -1.122 11.747 1.00 0.00 C ATOM 196 C LYS A 25 0.665 -0.194 11.366 1.00 0.00 C ATOM 197 O LYS A 25 -0.478 -0.429 11.782 1.00 0.00 O ATOM 198 CB LYS A 25 1.986 -1.096 13.261 1.00 0.00 C ATOM 199 CG LYS A 25 1.047 -2.121 13.899 1.00 0.00 C ATOM 200 CD LYS A 25 1.503 -2.395 15.328 1.00 0.00 C ATOM 201 CE LYS A 25 2.803 -3.192 15.390 1.00 0.00 C ATOM 202 NZ LYS A 25 3.437 -3.072 16.704 1.00 0.00 N ATOM 0 H LYS A 25 3.514 0.013 11.440 1.00 0.00 H new ATOM 0 HA LYS A 25 1.482 -2.091 11.362 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.021 -1.324 13.516 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.774 -0.100 13.649 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.024 -1.746 13.896 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.049 -3.045 13.320 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.638 -1.448 15.850 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.721 -2.941 15.856 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.600 -4.241 15.176 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.487 -2.837 14.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.318 -3.624 16.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.652 -2.073 16.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.792 -3.434 17.435 1.00 0.00 H new ATOM 216 N ILE A 26 1.030 0.935 10.760 1.00 0.00 N ATOM 217 CA ILE A 26 0.127 2.048 10.580 1.00 0.00 C ATOM 218 C ILE A 26 -1.085 1.649 9.757 1.00 0.00 C ATOM 219 O ILE A 26 -2.223 1.990 10.080 1.00 0.00 O ATOM 220 CB ILE A 26 0.760 3.300 9.968 1.00 0.00 C ATOM 221 CG1 ILE A 26 1.889 3.008 8.987 1.00 0.00 C ATOM 222 CG2 ILE A 26 1.225 4.195 11.107 1.00 0.00 C ATOM 223 CD1 ILE A 26 2.668 4.214 8.446 1.00 0.00 C ATOM 0 H ILE A 26 1.964 1.094 10.383 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.171 2.315 11.594 1.00 0.00 H new ATOM 0 HB ILE A 26 0.004 3.803 9.365 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.597 2.338 9.474 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.470 2.467 8.139 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.681 5.097 10.698 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.371 4.469 11.726 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.957 3.661 11.714 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.442 3.869 7.760 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.986 4.881 7.918 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.131 4.750 9.275 1.00 0.00 H new ATOM 235 N ILE A 27 -0.812 0.988 8.624 1.00 0.00 N ATOM 236 CA ILE A 27 -1.743 0.365 7.709 1.00 0.00 C ATOM 237 C ILE A 27 -2.407 -0.921 8.170 1.00 0.00 C ATOM 238 O ILE A 27 -3.503 -1.178 7.673 1.00 0.00 O ATOM 239 CB ILE A 27 -1.270 0.525 6.266 1.00 0.00 C ATOM 240 CG1 ILE A 27 0.043 -0.195 5.977 1.00 0.00 C ATOM 241 CG2 ILE A 27 -1.358 1.978 5.800 1.00 0.00 C ATOM 242 CD1 ILE A 27 0.669 0.212 4.638 1.00 0.00 C ATOM 0 H ILE A 27 0.151 0.873 8.309 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.676 0.928 7.725 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.973 -0.007 5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.750 0.014 6.780 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.132 -1.271 5.978 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.013 2.051 4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.392 2.318 5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.732 2.603 6.437 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.600 -0.335 4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.021 -0.022 3.828 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.874 1.283 4.642 1.00 0.00 H new ATOM 254 N LYS A 28 -1.866 -1.717 9.105 1.00 0.00 N ATOM 255 CA LYS A 28 -2.218 -3.101 9.341 1.00 0.00 C ATOM 256 C LYS A 28 -3.674 -3.429 9.640 1.00 0.00 C ATOM 257 O LYS A 28 -4.284 -4.130 8.815 1.00 0.00 O ATOM 258 CB LYS A 28 -1.280 -3.575 10.440 1.00 0.00 C ATOM 259 CG LYS A 28 -1.283 -5.102 10.316 1.00 0.00 C ATOM 260 CD LYS A 28 -0.379 -5.783 11.340 1.00 0.00 C ATOM 261 CE LYS A 28 -0.070 -7.260 11.150 1.00 0.00 C ATOM 262 NZ LYS A 28 -1.164 -8.234 11.254 1.00 0.00 N ATOM 0 H LYS A 28 -1.139 -1.386 9.739 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.098 -3.636 8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.277 -3.168 10.309 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.627 -3.256 11.423 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.302 -5.469 10.437 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.961 -5.381 9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.568 -5.244 11.360 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.836 -5.661 12.322 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.383 -7.378 10.166 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.687 -7.535 11.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.791 -9.193 11.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.591 -8.176 12.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.885 -8.024 10.535 1.00 0.00 H new ATOM 276 N THR A 29 -4.260 -3.033 10.765 1.00 0.00 N ATOM 277 CA THR A 29 -5.574 -3.424 11.206 1.00 0.00 C ATOM 278 C THR A 29 -6.568 -2.773 10.245 1.00 0.00 C ATOM 279 O THR A 29 -7.571 -3.387 9.928 1.00 0.00 O ATOM 280 CB THR A 29 -5.816 -3.110 12.687 1.00 0.00 C ATOM 281 OG1 THR A 29 -5.722 -1.713 12.798 1.00 0.00 O ATOM 282 CG2 THR A 29 -4.799 -3.723 13.638 1.00 0.00 C ATOM 0 H THR A 29 -3.800 -2.400 11.419 1.00 0.00 H new ATOM 0 HA THR A 29 -5.699 -4.506 11.169 1.00 0.00 H new ATOM 0 HB THR A 29 -6.782 -3.528 12.970 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.871 -1.448 13.730 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.048 -3.449 14.663 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.816 -4.808 13.538 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.803 -3.352 13.395 1.00 0.00 H new ATOM 290 N ALA A 30 -6.239 -1.562 9.801 1.00 0.00 N ATOM 291 CA ALA A 30 -6.986 -0.751 8.864 1.00 0.00 C ATOM 292 C ALA A 30 -7.118 -1.353 7.478 1.00 0.00 C ATOM 293 O ALA A 30 -8.215 -1.392 6.903 1.00 0.00 O ATOM 294 CB ALA A 30 -6.344 0.636 8.912 1.00 0.00 C ATOM 0 H ALA A 30 -5.386 -1.098 10.112 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.035 -0.689 9.154 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.864 1.302 8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.414 1.035 9.924 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.296 0.562 8.623 1.00 0.00 H new ATOM 300 N ARG A 31 -6.178 -2.049 6.830 1.00 0.00 N ATOM 301 CA ARG A 31 -6.428 -2.830 5.646 1.00 0.00 C ATOM 302 C ARG A 31 -7.547 -3.830 5.844 1.00 0.00 C ATOM 303 O ARG A 31 -8.366 -3.984 4.932 1.00 0.00 O ATOM 304 CB ARG A 31 -5.154 -3.626 5.359 1.00 0.00 C ATOM 305 CG ARG A 31 -4.074 -2.766 4.709 1.00 0.00 C ATOM 306 CD ARG A 31 -2.684 -3.347 4.567 1.00 0.00 C ATOM 307 NE ARG A 31 -2.687 -4.529 3.699 1.00 0.00 N ATOM 308 CZ ARG A 31 -1.961 -5.651 3.903 1.00 0.00 C ATOM 309 NH1 ARG A 31 -1.191 -5.852 4.975 1.00 0.00 N ATOM 310 NH2 ARG A 31 -1.868 -6.641 3.013 1.00 0.00 N ATOM 0 H ARG A 31 -5.204 -2.076 7.133 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.710 -2.155 4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.772 -4.045 6.290 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.391 -4.465 4.705 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.423 -2.490 3.714 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.992 -1.844 5.285 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.013 -2.593 4.156 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.298 -3.616 5.550 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.286 -4.502 2.874 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.127 -5.136 5.698 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.667 -6.722 5.071 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.361 -6.574 2.122 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.304 -7.465 3.223 1.00 0.00 H new ATOM 324 N GLU A 32 -7.576 -4.660 6.895 1.00 0.00 N ATOM 325 CA GLU A 32 -8.569 -5.667 7.251 1.00 0.00 C ATOM 326 C GLU A 32 -9.923 -5.032 7.531 1.00 0.00 C ATOM 327 O GLU A 32 -10.901 -5.731 7.281 1.00 0.00 O ATOM 328 CB GLU A 32 -7.956 -6.430 8.417 1.00 0.00 C ATOM 329 CG GLU A 32 -7.058 -7.523 7.837 1.00 0.00 C ATOM 330 CD GLU A 32 -6.595 -8.504 8.913 1.00 0.00 C ATOM 331 OE1 GLU A 32 -7.512 -9.204 9.403 1.00 0.00 O ATOM 332 OE2 GLU A 32 -5.408 -8.594 9.299 1.00 0.00 O ATOM 0 H GLU A 32 -6.824 -4.635 7.584 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.791 -6.363 6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.379 -5.758 9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.736 -6.867 9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.598 -8.064 7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.189 -7.067 7.363 1.00 0.00 H new ATOM 339 N GLN A 33 -10.053 -3.818 8.083 1.00 0.00 N ATOM 340 CA GLN A 33 -11.303 -3.180 8.441 1.00 0.00 C ATOM 341 C GLN A 33 -11.962 -2.665 7.177 1.00 0.00 C ATOM 342 O GLN A 33 -13.191 -2.609 7.118 1.00 0.00 O ATOM 343 CB GLN A 33 -10.956 -2.208 9.579 1.00 0.00 C ATOM 344 CG GLN A 33 -10.807 -2.845 10.960 1.00 0.00 C ATOM 345 CD GLN A 33 -10.394 -1.886 12.057 1.00 0.00 C ATOM 346 OE1 GLN A 33 -11.185 -1.245 12.748 1.00 0.00 O ATOM 347 NE2 GLN A 33 -9.091 -1.698 12.314 1.00 0.00 N ATOM 0 H GLN A 33 -9.244 -3.236 8.298 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.087 -3.818 8.849 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.025 -1.700 9.329 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.732 -1.444 9.631 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.755 -3.306 11.237 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.069 -3.645 10.899 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.387 -2.201 11.774 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.804 -1.052 13.049 1.00 0.00 H new ATOM 356 N LEU A 34 -11.237 -2.356 6.106 1.00 0.00 N ATOM 357 CA LEU A 34 -11.775 -2.091 4.784 1.00 0.00 C ATOM 358 C LEU A 34 -12.165 -3.392 4.101 1.00 0.00 C ATOM 359 O LEU A 34 -13.025 -3.342 3.217 1.00 0.00 O ATOM 360 CB LEU A 34 -10.693 -1.393 3.959 1.00 0.00 C ATOM 361 CG LEU A 34 -10.267 -0.055 4.531 1.00 0.00 C ATOM 362 CD1 LEU A 34 -9.157 0.492 3.646 1.00 0.00 C ATOM 363 CD2 LEU A 34 -11.377 0.975 4.301 1.00 0.00 C ATOM 0 H LEU A 34 -10.220 -2.282 6.141 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.662 -1.463 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.822 -2.044 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.060 -1.245 2.943 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.006 -0.196 5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.827 1.457 4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.318 -0.204 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.530 0.615 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.071 1.937 4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.561 1.079 3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.290 0.643 4.795 1.00 0.00 H new ATOM 375 N GLY A 35 -11.629 -4.558 4.437 1.00 0.00 N ATOM 376 CA GLY A 35 -12.044 -5.831 3.891 1.00 0.00 C ATOM 377 C GLY A 35 -11.497 -6.023 2.475 1.00 0.00 C ATOM 378 O GLY A 35 -11.663 -7.068 1.841 1.00 0.00 O ATOM 0 H GLY A 35 -10.873 -4.640 5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.693 -6.638 4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.132 -5.887 3.875 1.00 0.00 H new ATOM 382 N ILE A 36 -11.019 -4.971 1.837 1.00 0.00 N ATOM 383 CA ILE A 36 -10.945 -4.825 0.388 1.00 0.00 C ATOM 384 C ILE A 36 -9.896 -5.713 -0.269 1.00 0.00 C ATOM 385 O ILE A 36 -9.010 -6.137 0.469 1.00 0.00 O ATOM 386 CB ILE A 36 -10.688 -3.352 0.056 1.00 0.00 C ATOM 387 CG1 ILE A 36 -9.536 -2.654 0.765 1.00 0.00 C ATOM 388 CG2 ILE A 36 -11.951 -2.515 0.165 1.00 0.00 C ATOM 389 CD1 ILE A 36 -9.206 -1.262 0.249 1.00 0.00 C ATOM 0 H ILE A 36 -10.655 -4.157 2.333 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.900 -5.155 -0.022 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.355 -3.418 -0.980 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.773 -2.584 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.646 -3.277 0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.722 -1.478 -0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.700 -2.894 -0.530 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.338 -2.572 1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.373 -0.851 0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.932 -1.320 -0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.077 -0.616 0.362 1.00 0.00 H new ATOM 401 N SER A 37 -10.099 -6.004 -1.548 1.00 0.00 N ATOM 402 CA SER A 37 -9.190 -6.892 -2.249 1.00 0.00 C ATOM 403 C SER A 37 -7.870 -6.210 -2.562 1.00 0.00 C ATOM 404 O SER A 37 -7.766 -4.996 -2.363 1.00 0.00 O ATOM 405 CB SER A 37 -9.779 -7.680 -3.416 1.00 0.00 C ATOM 406 OG SER A 37 -10.223 -6.620 -4.258 1.00 0.00 O ATOM 0 H SER A 37 -10.871 -5.644 -2.109 1.00 0.00 H new ATOM 0 HA SER A 37 -8.981 -7.689 -1.535 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.037 -8.312 -3.904 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.596 -8.330 -3.105 1.00 0.00 H new ATOM 0 HG SER A 37 -10.631 -6.994 -5.067 1.00 0.00 H new ATOM 412 N GLN A 38 -6.914 -6.944 -3.130 1.00 0.00 N ATOM 413 CA GLN A 38 -5.782 -6.358 -3.824 1.00 0.00 C ATOM 414 C GLN A 38 -6.258 -5.562 -5.034 1.00 0.00 C ATOM 415 O GLN A 38 -5.867 -4.433 -5.290 1.00 0.00 O ATOM 416 CB GLN A 38 -4.652 -7.301 -4.196 1.00 0.00 C ATOM 417 CG GLN A 38 -3.230 -6.828 -3.903 1.00 0.00 C ATOM 418 CD GLN A 38 -2.183 -7.772 -4.483 1.00 0.00 C ATOM 419 OE1 GLN A 38 -2.151 -8.103 -5.663 1.00 0.00 O ATOM 420 NE2 GLN A 38 -1.186 -8.196 -3.707 1.00 0.00 N ATOM 0 H GLN A 38 -6.908 -7.964 -3.118 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.325 -5.697 -3.087 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.810 -8.243 -3.671 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.725 -7.514 -5.263 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.087 -5.830 -4.317 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.089 -6.749 -2.825 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.168 -7.947 -2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.441 -8.770 -4.102 1.00 0.00 H new ATOM 429 N GLN A 39 -7.165 -6.156 -5.818 1.00 0.00 N ATOM 430 CA GLN A 39 -7.696 -5.482 -6.987 1.00 0.00 C ATOM 431 C GLN A 39 -8.388 -4.164 -6.656 1.00 0.00 C ATOM 432 O GLN A 39 -8.271 -3.269 -7.507 1.00 0.00 O ATOM 433 CB GLN A 39 -8.465 -6.478 -7.837 1.00 0.00 C ATOM 434 CG GLN A 39 -7.481 -7.296 -8.656 1.00 0.00 C ATOM 435 CD GLN A 39 -8.122 -8.421 -9.447 1.00 0.00 C ATOM 436 OE1 GLN A 39 -8.566 -8.382 -10.597 1.00 0.00 O ATOM 437 NE2 GLN A 39 -8.226 -9.592 -8.794 1.00 0.00 N ATOM 0 H GLN A 39 -7.537 -7.092 -5.659 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.882 -5.131 -7.622 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.061 -7.133 -7.202 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.158 -5.954 -8.495 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.958 -6.633 -9.345 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.730 -7.717 -7.988 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.874 -9.677 -7.840 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.657 -10.395 -9.252 1.00 0.00 H new ATOM 446 N GLN A 40 -8.985 -3.925 -5.499 1.00 0.00 N ATOM 447 CA GLN A 40 -9.548 -2.648 -5.122 1.00 0.00 C ATOM 448 C GLN A 40 -8.469 -1.682 -4.641 1.00 0.00 C ATOM 449 O GLN A 40 -8.822 -0.501 -4.781 1.00 0.00 O ATOM 450 CB GLN A 40 -10.589 -2.928 -4.044 1.00 0.00 C ATOM 451 CG GLN A 40 -11.814 -3.672 -4.574 1.00 0.00 C ATOM 452 CD GLN A 40 -12.820 -4.042 -3.493 1.00 0.00 C ATOM 453 OE1 GLN A 40 -12.512 -4.925 -2.687 1.00 0.00 O ATOM 454 NE2 GLN A 40 -14.033 -3.484 -3.415 1.00 0.00 N ATOM 0 H GLN A 40 -9.092 -4.639 -4.778 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.013 -2.160 -5.978 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.131 -3.515 -3.248 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.908 -1.984 -3.601 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.309 -3.052 -5.322 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.486 -4.581 -5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.302 -2.753 -4.074 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.689 -3.789 -2.696 1.00 0.00 H new ATOM 463 N LEU A 41 -7.327 -2.037 -4.050 1.00 0.00 N ATOM 464 CA LEU A 41 -6.227 -1.164 -3.746 1.00 0.00 C ATOM 465 C LEU A 41 -5.533 -0.693 -5.024 1.00 0.00 C ATOM 466 O LEU A 41 -5.003 0.424 -4.979 1.00 0.00 O ATOM 467 CB LEU A 41 -5.299 -1.930 -2.807 1.00 0.00 C ATOM 468 CG LEU A 41 -4.057 -1.240 -2.237 1.00 0.00 C ATOM 469 CD1 LEU A 41 -4.263 -0.287 -1.059 1.00 0.00 C ATOM 470 CD2 LEU A 41 -3.079 -2.355 -1.914 1.00 0.00 C ATOM 0 H LEU A 41 -7.150 -2.999 -3.760 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.564 -0.252 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.899 -2.270 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.962 -2.820 -3.338 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.685 -0.546 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.303 0.131 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.932 0.520 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.701 -0.832 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.165 -1.929 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.526 -3.031 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.843 -2.907 -2.824 1.00 0.00 H new ATOM 482 N ALA A 42 -5.421 -1.482 -6.076 1.00 0.00 N ATOM 483 CA ALA A 42 -4.935 -1.048 -7.374 1.00 0.00 C ATOM 484 C ALA A 42 -5.736 0.101 -7.964 1.00 0.00 C ATOM 485 O ALA A 42 -5.186 0.914 -8.712 1.00 0.00 O ATOM 486 CB ALA A 42 -4.935 -2.283 -8.251 1.00 0.00 C ATOM 0 H ALA A 42 -5.672 -2.470 -6.051 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.932 -0.631 -7.288 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.578 -2.022 -9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.280 -3.038 -7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.948 -2.679 -8.321 1.00 0.00 H new ATOM 492 N GLN A 43 -7.055 -0.064 -7.774 1.00 0.00 N ATOM 493 CA GLN A 43 -7.949 1.025 -8.115 1.00 0.00 C ATOM 494 C GLN A 43 -7.623 2.241 -7.262 1.00 0.00 C ATOM 495 O GLN A 43 -7.733 3.345 -7.784 1.00 0.00 O ATOM 496 CB GLN A 43 -9.374 0.463 -8.100 1.00 0.00 C ATOM 497 CG GLN A 43 -9.689 -0.389 -9.324 1.00 0.00 C ATOM 498 CD GLN A 43 -11.028 -1.113 -9.275 1.00 0.00 C ATOM 499 OE1 GLN A 43 -12.119 -0.537 -9.340 1.00 0.00 O ATOM 500 NE2 GLN A 43 -11.055 -2.408 -8.955 1.00 0.00 N ATOM 0 H GLN A 43 -7.499 -0.904 -7.403 1.00 0.00 H new ATOM 0 HA GLN A 43 -7.825 1.423 -9.122 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.513 -0.137 -7.201 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.084 1.288 -8.046 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.670 0.249 -10.207 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -8.897 -1.128 -9.448 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.184 -2.935 -8.887 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.946 -2.871 -8.779 1.00 0.00 H new ATOM 509 N LYS A 44 -7.377 1.976 -5.975 1.00 0.00 N ATOM 510 CA LYS A 44 -7.211 3.036 -4.998 1.00 0.00 C ATOM 511 C LYS A 44 -6.178 4.041 -5.508 1.00 0.00 C ATOM 512 O LYS A 44 -6.181 5.254 -5.338 1.00 0.00 O ATOM 513 CB LYS A 44 -6.988 2.452 -3.608 1.00 0.00 C ATOM 514 CG LYS A 44 -6.817 3.543 -2.559 1.00 0.00 C ATOM 515 CD LYS A 44 -8.126 4.275 -2.295 1.00 0.00 C ATOM 516 CE LYS A 44 -7.860 5.184 -1.093 1.00 0.00 C ATOM 517 NZ LYS A 44 -9.024 5.996 -0.752 1.00 0.00 N ATOM 0 H LYS A 44 -7.290 1.034 -5.594 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.121 3.623 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.833 1.818 -3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.103 1.815 -3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.452 3.103 -1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.062 4.255 -2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.431 4.856 -3.165 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.931 3.572 -2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.579 4.575 -0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.015 5.836 -1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.800 6.597 0.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.278 6.596 -1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.824 5.374 -0.517 1.00 0.00 H new ATOM 531 N LEU A 45 -5.203 3.529 -6.259 1.00 0.00 N ATOM 532 CA LEU A 45 -3.872 4.066 -6.433 1.00 0.00 C ATOM 533 C LEU A 45 -3.605 4.386 -7.895 1.00 0.00 C ATOM 534 O LEU A 45 -2.503 4.811 -8.250 1.00 0.00 O ATOM 535 CB LEU A 45 -2.780 3.190 -5.819 1.00 0.00 C ATOM 536 CG LEU A 45 -3.003 3.014 -4.318 1.00 0.00 C ATOM 537 CD1 LEU A 45 -1.985 2.008 -3.783 1.00 0.00 C ATOM 538 CD2 LEU A 45 -2.869 4.269 -3.485 1.00 0.00 C ATOM 0 H LEU A 45 -5.341 2.671 -6.793 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.833 5.000 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.773 2.215 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.804 3.642 -5.995 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.038 2.685 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.134 1.874 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.117 1.052 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.976 2.379 -3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.047 4.030 -2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.864 4.676 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.599 5.007 -3.818 1.00 0.00 H new ATOM 550 N LYS A 46 -4.571 4.200 -8.803 1.00 0.00 N ATOM 551 CA LYS A 46 -4.424 4.055 -10.229 1.00 0.00 C ATOM 552 C LYS A 46 -3.407 3.138 -10.882 1.00 0.00 C ATOM 553 O LYS A 46 -3.682 2.851 -12.046 1.00 0.00 O ATOM 554 CB LYS A 46 -4.395 5.470 -10.818 1.00 0.00 C ATOM 555 CG LYS A 46 -5.665 6.298 -10.635 1.00 0.00 C ATOM 556 CD LYS A 46 -5.742 7.392 -11.707 1.00 0.00 C ATOM 557 CE LYS A 46 -6.945 8.311 -11.530 1.00 0.00 C ATOM 558 NZ LYS A 46 -7.062 9.274 -12.642 1.00 0.00 N ATOM 0 H LYS A 46 -5.550 4.145 -8.521 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.286 3.440 -10.486 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.564 6.012 -10.368 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.186 5.394 -11.885 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.541 5.653 -10.700 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.674 6.749 -9.643 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.829 7.987 -11.678 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.788 6.927 -12.692 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.854 7.713 -11.469 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.855 8.852 -10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.891 9.883 -12.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.205 9.861 -12.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.173 8.758 -13.538 1.00 0.00 H new ATOM 572 N VAL A 47 -2.365 2.684 -10.184 1.00 0.00 N ATOM 573 CA VAL A 47 -1.208 1.929 -10.618 1.00 0.00 C ATOM 574 C VAL A 47 -1.325 0.425 -10.458 1.00 0.00 C ATOM 575 O VAL A 47 -2.133 -0.103 -9.694 1.00 0.00 O ATOM 576 CB VAL A 47 -0.046 2.403 -9.744 1.00 0.00 C ATOM 577 CG1 VAL A 47 0.225 3.893 -9.929 1.00 0.00 C ATOM 578 CG2 VAL A 47 -0.109 2.042 -8.270 1.00 0.00 C ATOM 0 H VAL A 47 -2.315 2.863 -9.181 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.081 2.104 -11.686 1.00 0.00 H new ATOM 0 HB VAL A 47 0.797 1.823 -10.119 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.057 4.193 -9.292 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.476 4.091 -10.971 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.664 4.461 -9.656 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.771 2.435 -7.761 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.007 2.474 -7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.137 0.958 -8.162 1.00 0.00 H new ATOM 588 N SER A 48 -0.571 -0.364 -11.229 1.00 0.00 N ATOM 589 CA SER A 48 -0.624 -1.804 -11.216 1.00 0.00 C ATOM 590 C SER A 48 -0.026 -2.502 -9.998 1.00 0.00 C ATOM 591 O SER A 48 0.677 -1.922 -9.174 1.00 0.00 O ATOM 592 CB SER A 48 0.160 -2.325 -12.418 1.00 0.00 C ATOM 593 OG SER A 48 1.522 -2.045 -12.208 1.00 0.00 O ATOM 0 H SER A 48 0.108 0.006 -11.894 1.00 0.00 H new ATOM 0 HA SER A 48 -1.690 -2.031 -11.218 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.006 -3.398 -12.536 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.189 -1.850 -13.335 1.00 0.00 H new ATOM 0 HG SER A 48 2.045 -2.374 -12.969 1.00 0.00 H new ATOM 599 N GLU A 49 -0.299 -3.802 -9.882 1.00 0.00 N ATOM 600 CA GLU A 49 0.141 -4.538 -8.714 1.00 0.00 C ATOM 601 C GLU A 49 1.641 -4.729 -8.483 1.00 0.00 C ATOM 602 O GLU A 49 2.072 -4.973 -7.364 1.00 0.00 O ATOM 603 CB GLU A 49 -0.600 -5.876 -8.766 1.00 0.00 C ATOM 604 CG GLU A 49 -0.083 -6.866 -9.795 1.00 0.00 C ATOM 605 CD GLU A 49 -0.889 -8.147 -10.000 1.00 0.00 C ATOM 606 OE1 GLU A 49 -2.100 -8.207 -9.720 1.00 0.00 O ATOM 607 OE2 GLU A 49 -0.204 -9.060 -10.509 1.00 0.00 O ATOM 0 H GLU A 49 -0.813 -4.351 -10.571 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.101 -3.921 -7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.547 -6.340 -7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.653 -5.682 -8.970 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.016 -6.352 -10.754 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.932 -7.147 -9.513 1.00 0.00 H new ATOM 614 N ASN A 50 2.407 -4.579 -9.576 1.00 0.00 N ATOM 615 CA ASN A 50 3.838 -4.387 -9.419 1.00 0.00 C ATOM 616 C ASN A 50 4.317 -3.362 -8.413 1.00 0.00 C ATOM 617 O ASN A 50 5.382 -3.563 -7.826 1.00 0.00 O ATOM 618 CB ASN A 50 4.349 -4.193 -10.846 1.00 0.00 C ATOM 619 CG ASN A 50 5.767 -3.642 -10.988 1.00 0.00 C ATOM 620 OD1 ASN A 50 6.733 -4.216 -10.483 1.00 0.00 O ATOM 621 ND2 ASN A 50 5.997 -2.376 -11.330 1.00 0.00 N ATOM 0 H ASN A 50 2.067 -4.588 -10.538 1.00 0.00 H new ATOM 0 HA ASN A 50 4.272 -5.259 -8.929 1.00 0.00 H new ATOM 0 HB2 ASN A 50 4.302 -5.153 -11.360 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.667 -3.520 -11.365 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.915 -1.962 -11.166 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.255 -1.820 -11.756 1.00 0.00 H new ATOM 628 N ILE A 51 3.562 -2.260 -8.249 1.00 0.00 N ATOM 629 CA ILE A 51 3.813 -1.401 -7.114 1.00 0.00 C ATOM 630 C ILE A 51 3.179 -1.911 -5.819 1.00 0.00 C ATOM 631 O ILE A 51 3.716 -1.634 -4.744 1.00 0.00 O ATOM 632 CB ILE A 51 3.266 -0.020 -7.475 1.00 0.00 C ATOM 633 CG1 ILE A 51 3.595 0.498 -8.868 1.00 0.00 C ATOM 634 CG2 ILE A 51 3.629 0.869 -6.287 1.00 0.00 C ATOM 635 CD1 ILE A 51 5.084 0.360 -9.189 1.00 0.00 C ATOM 0 H ILE A 51 2.807 -1.965 -8.868 1.00 0.00 H new ATOM 0 HA ILE A 51 4.885 -1.373 -6.916 1.00 0.00 H new ATOM 0 HB ILE A 51 2.184 -0.045 -7.607 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.012 -0.051 -9.607 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.302 1.545 -8.945 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.270 1.882 -6.468 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.165 0.475 -5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.712 0.885 -6.162 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.277 0.741 -10.192 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.667 0.931 -8.466 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.371 -0.690 -9.138 1.00 0.00 H new ATOM 647 N VAL A 52 1.972 -2.463 -5.875 1.00 0.00 N ATOM 648 CA VAL A 52 1.208 -2.779 -4.687 1.00 0.00 C ATOM 649 C VAL A 52 1.790 -3.868 -3.792 1.00 0.00 C ATOM 650 O VAL A 52 1.760 -3.632 -2.578 1.00 0.00 O ATOM 651 CB VAL A 52 -0.282 -2.988 -4.928 1.00 0.00 C ATOM 652 CG1 VAL A 52 -0.853 -1.808 -5.689 1.00 0.00 C ATOM 653 CG2 VAL A 52 -0.837 -4.367 -5.251 1.00 0.00 C ATOM 0 H VAL A 52 1.501 -2.702 -6.748 1.00 0.00 H new ATOM 0 HA VAL A 52 1.308 -1.856 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.708 -3.004 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.918 -1.965 -5.857 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.708 -0.896 -5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.344 -1.713 -6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.917 -4.302 -5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.378 -4.739 -6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.615 -5.050 -4.431 1.00 0.00 H new ATOM 663 N LYS A 53 2.305 -4.983 -4.306 1.00 0.00 N ATOM 664 CA LYS A 53 2.935 -6.071 -3.593 1.00 0.00 C ATOM 665 C LYS A 53 4.143 -5.641 -2.764 1.00 0.00 C ATOM 666 O LYS A 53 4.392 -6.278 -1.738 1.00 0.00 O ATOM 667 CB LYS A 53 3.241 -7.135 -4.644 1.00 0.00 C ATOM 668 CG LYS A 53 2.056 -7.758 -5.347 1.00 0.00 C ATOM 669 CD LYS A 53 2.279 -8.940 -6.281 1.00 0.00 C ATOM 670 CE LYS A 53 3.120 -10.078 -5.702 1.00 0.00 C ATOM 671 NZ LYS A 53 4.530 -9.857 -6.047 1.00 0.00 N ATOM 0 H LYS A 53 2.287 -5.154 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 53 2.270 -6.474 -2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.889 -6.690 -5.399 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.810 -7.932 -4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.350 -8.076 -4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.568 -6.973 -5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.308 -9.340 -6.573 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.762 -8.579 -7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.000 -10.121 -4.619 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.781 -11.035 -6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.136 -10.262 -5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.741 -10.316 -6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.713 -8.836 -6.124 1.00 0.00 H new ATOM 685 N ARG A 54 4.768 -4.480 -2.983 1.00 0.00 N ATOM 686 CA ARG A 54 5.871 -3.849 -2.276 1.00 0.00 C ATOM 687 C ARG A 54 5.405 -3.316 -0.925 1.00 0.00 C ATOM 688 O ARG A 54 5.910 -3.865 0.052 1.00 0.00 O ATOM 689 CB ARG A 54 6.433 -2.689 -3.092 1.00 0.00 C ATOM 690 CG ARG A 54 6.943 -3.176 -4.452 1.00 0.00 C ATOM 691 CD ARG A 54 7.715 -1.958 -4.941 1.00 0.00 C ATOM 692 NE ARG A 54 7.919 -2.076 -6.374 1.00 0.00 N ATOM 693 CZ ARG A 54 7.818 -1.124 -7.320 1.00 0.00 C ATOM 694 NH1 ARG A 54 7.978 0.163 -6.946 1.00 0.00 N ATOM 695 NH2 ARG A 54 7.596 -1.461 -8.593 1.00 0.00 N ATOM 0 H ARG A 54 4.469 -3.892 -3.761 1.00 0.00 H new ATOM 0 HA ARG A 54 6.645 -4.601 -2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.661 -1.933 -3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.246 -2.213 -2.543 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.580 -4.056 -4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.128 -3.442 -5.125 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.164 -1.046 -4.712 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.674 -1.888 -4.428 1.00 0.00 H new ATOM 0 HE ARG A 54 8.173 -3.005 -6.709 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.169 0.391 -5.970 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.907 0.908 -7.639 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.502 -2.443 -8.852 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.520 -0.736 -9.307 1.00 0.00 H new ATOM 709 N PHE A 55 4.329 -2.547 -0.844 1.00 0.00 N ATOM 710 CA PHE A 55 3.829 -1.986 0.402 1.00 0.00 C ATOM 711 C PHE A 55 3.185 -3.094 1.227 1.00 0.00 C ATOM 712 O PHE A 55 3.008 -3.001 2.429 1.00 0.00 O ATOM 713 CB PHE A 55 2.610 -1.145 0.026 1.00 0.00 C ATOM 714 CG PHE A 55 2.762 -0.001 -0.943 1.00 0.00 C ATOM 715 CD1 PHE A 55 3.583 1.057 -0.540 1.00 0.00 C ATOM 716 CD2 PHE A 55 1.933 0.060 -2.080 1.00 0.00 C ATOM 717 CE1 PHE A 55 3.601 2.210 -1.332 1.00 0.00 C ATOM 718 CE2 PHE A 55 1.933 1.218 -2.848 1.00 0.00 C ATOM 719 CZ PHE A 55 2.727 2.292 -2.427 1.00 0.00 C ATOM 0 H PHE A 55 3.769 -2.291 -1.657 1.00 0.00 H new ATOM 0 HA PHE A 55 4.637 -1.468 0.919 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.861 -1.822 -0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.198 -0.737 0.949 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.184 0.986 0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.308 -0.779 -2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.275 3.022 -1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.337 1.288 -3.746 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.664 3.224 -2.969 1.00 0.00 H new ATOM 729 N GLU A 56 2.687 -4.163 0.603 1.00 0.00 N ATOM 730 CA GLU A 56 2.102 -5.277 1.333 1.00 0.00 C ATOM 731 C GLU A 56 3.238 -5.970 2.061 1.00 0.00 C ATOM 732 O GLU A 56 3.074 -6.174 3.264 1.00 0.00 O ATOM 733 CB GLU A 56 1.247 -6.162 0.432 1.00 0.00 C ATOM 734 CG GLU A 56 0.024 -5.361 -0.053 1.00 0.00 C ATOM 735 CD GLU A 56 -1.181 -6.200 -0.441 1.00 0.00 C ATOM 736 OE1 GLU A 56 -1.055 -7.158 -1.229 1.00 0.00 O ATOM 737 OE2 GLU A 56 -2.320 -6.182 0.076 1.00 0.00 O ATOM 0 H GLU A 56 2.680 -4.276 -0.411 1.00 0.00 H new ATOM 0 HA GLU A 56 1.381 -4.946 2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.832 -6.506 -0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.923 -7.049 0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.273 -4.668 0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.320 -4.759 -0.912 1.00 0.00 H new ATOM 744 N SER A 57 4.407 -6.243 1.458 1.00 0.00 N ATOM 745 CA SER A 57 5.435 -7.113 1.982 1.00 0.00 C ATOM 746 C SER A 57 6.546 -6.472 2.790 1.00 0.00 C ATOM 747 O SER A 57 7.083 -7.069 3.717 1.00 0.00 O ATOM 748 CB SER A 57 5.977 -7.803 0.729 1.00 0.00 C ATOM 749 OG SER A 57 6.760 -7.023 -0.141 1.00 0.00 O ATOM 0 H SER A 57 4.657 -5.839 0.555 1.00 0.00 H new ATOM 0 HA SER A 57 5.001 -7.775 2.731 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.573 -8.660 1.045 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.130 -8.194 0.164 1.00 0.00 H new ATOM 0 HG SER A 57 6.186 -6.624 -0.828 1.00 0.00 H new ATOM 755 N GLY A 58 6.966 -5.259 2.444 1.00 0.00 N ATOM 756 CA GLY A 58 7.916 -4.437 3.173 1.00 0.00 C ATOM 757 C GLY A 58 9.399 -4.723 2.979 1.00 0.00 C ATOM 758 O GLY A 58 10.110 -4.347 3.913 1.00 0.00 O ATOM 0 H GLY A 58 6.630 -4.800 1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.737 -3.397 2.900 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.693 -4.531 4.236 1.00 0.00 H new ATOM 762 N LYS A 59 9.851 -5.373 1.903 1.00 0.00 N ATOM 763 CA LYS A 59 11.125 -6.018 1.706 1.00 0.00 C ATOM 764 C LYS A 59 12.170 -5.143 1.008 1.00 0.00 C ATOM 765 O LYS A 59 13.224 -5.633 0.612 1.00 0.00 O ATOM 766 CB LYS A 59 10.882 -7.258 0.859 1.00 0.00 C ATOM 767 CG LYS A 59 9.961 -8.311 1.470 1.00 0.00 C ATOM 768 CD LYS A 59 10.230 -8.812 2.879 1.00 0.00 C ATOM 769 CE LYS A 59 11.390 -9.800 3.059 1.00 0.00 C ATOM 770 NZ LYS A 59 11.583 -10.118 4.478 1.00 0.00 N ATOM 0 H LYS A 59 9.265 -5.462 1.073 1.00 0.00 H new ATOM 0 HA LYS A 59 11.531 -6.247 2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.461 -6.945 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.844 -7.724 0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.948 -7.908 1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.970 -9.177 0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.420 -7.947 3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.321 -9.286 3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.186 -10.714 2.501 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.305 -9.373 2.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.372 -10.788 4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.799 -9.246 5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.715 -10.546 4.859 1.00 0.00 H new ATOM 784 N LEU A 60 11.712 -3.902 0.892 1.00 0.00 N ATOM 785 CA LEU A 60 12.465 -2.823 0.291 1.00 0.00 C ATOM 786 C LEU A 60 12.434 -1.524 1.089 1.00 0.00 C ATOM 787 O LEU A 60 11.543 -1.182 1.862 1.00 0.00 O ATOM 788 CB LEU A 60 11.854 -2.555 -1.092 1.00 0.00 C ATOM 789 CG LEU A 60 12.766 -1.862 -2.097 1.00 0.00 C ATOM 790 CD1 LEU A 60 13.807 -2.852 -2.598 1.00 0.00 C ATOM 791 CD2 LEU A 60 12.024 -1.382 -3.339 1.00 0.00 C ATOM 0 H LEU A 60 10.789 -3.619 1.221 1.00 0.00 H new ATOM 0 HA LEU A 60 13.509 -3.135 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.533 -3.506 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.960 -1.946 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 60 13.199 -1.009 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.461 -2.359 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 60 14.399 -3.214 -1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.307 -3.693 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.726 -0.897 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.565 -2.234 -3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.250 -0.671 -3.049 1.00 0.00 H new ATOM 803 N LYS A 61 13.567 -0.822 1.068 1.00 0.00 N ATOM 804 CA LYS A 61 13.612 0.545 1.523 1.00 0.00 C ATOM 805 C LYS A 61 13.623 1.468 0.305 1.00 0.00 C ATOM 806 O LYS A 61 14.677 1.736 -0.265 1.00 0.00 O ATOM 807 CB LYS A 61 14.874 0.718 2.356 1.00 0.00 C ATOM 808 CG LYS A 61 14.887 2.053 3.085 1.00 0.00 C ATOM 809 CD LYS A 61 15.970 2.220 4.143 1.00 0.00 C ATOM 810 CE LYS A 61 17.289 2.654 3.540 1.00 0.00 C ATOM 811 NZ LYS A 61 18.394 2.664 4.518 1.00 0.00 N ATOM 0 H LYS A 61 14.460 -1.188 0.738 1.00 0.00 H new ATOM 0 HA LYS A 61 12.744 0.794 2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 61 14.946 -0.093 3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 61 15.749 0.647 1.710 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.001 2.847 2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.916 2.196 3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.648 2.957 4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.107 1.278 4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 61 17.544 1.985 2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 61 17.178 3.652 3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 19.270 2.969 4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 18.168 3.323 5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 18.523 1.708 4.905 1.00 0.00 H new ATOM 825 N PRO A 62 12.457 1.916 -0.166 1.00 0.00 N ATOM 826 CA PRO A 62 12.208 2.609 -1.420 1.00 0.00 C ATOM 827 C PRO A 62 12.709 4.033 -1.270 1.00 0.00 C ATOM 828 O PRO A 62 13.188 4.385 -0.186 1.00 0.00 O ATOM 829 CB PRO A 62 10.750 2.335 -1.782 1.00 0.00 C ATOM 830 CG PRO A 62 10.142 2.498 -0.392 1.00 0.00 C ATOM 831 CD PRO A 62 11.148 1.683 0.410 1.00 0.00 C ATOM 0 HA PRO A 62 12.757 2.267 -2.297 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.352 3.047 -2.505 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.596 1.339 -2.198 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.095 3.539 -0.073 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.130 2.099 -0.326 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.132 1.980 1.459 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.897 0.623 0.375 1.00 0.00 H new ATOM 839 N THR A 63 12.637 4.825 -2.337 1.00 0.00 N ATOM 840 CA THR A 63 13.051 6.209 -2.304 1.00 0.00 C ATOM 841 C THR A 63 12.064 7.155 -1.631 1.00 0.00 C ATOM 842 O THR A 63 11.051 6.705 -1.086 1.00 0.00 O ATOM 843 CB THR A 63 13.401 6.736 -3.696 1.00 0.00 C ATOM 844 OG1 THR A 63 12.264 6.645 -4.536 1.00 0.00 O ATOM 845 CG2 THR A 63 14.539 5.947 -4.358 1.00 0.00 C ATOM 0 H THR A 63 12.289 4.517 -3.245 1.00 0.00 H new ATOM 0 HA THR A 63 13.945 6.199 -1.681 1.00 0.00 H new ATOM 0 HB THR A 63 13.726 7.769 -3.569 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.488 6.984 -5.428 1.00 0.00 H new ATOM 0 HG21 THR A 63 14.746 6.364 -5.344 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.435 6.013 -3.741 1.00 0.00 H new ATOM 0 HG23 THR A 63 14.246 4.902 -4.460 1.00 0.00 H new ATOM 853 N ILE A 64 12.470 8.424 -1.608 1.00 0.00 N ATOM 854 CA ILE A 64 11.890 9.551 -0.876 1.00 0.00 C ATOM 855 C ILE A 64 10.428 9.645 -1.260 1.00 0.00 C ATOM 856 O ILE A 64 9.632 9.436 -0.345 1.00 0.00 O ATOM 857 CB ILE A 64 12.576 10.904 -1.013 1.00 0.00 C ATOM 858 CG1 ILE A 64 14.077 10.594 -0.951 1.00 0.00 C ATOM 859 CG2 ILE A 64 12.123 11.820 0.097 1.00 0.00 C ATOM 860 CD1 ILE A 64 14.773 10.416 -2.291 1.00 0.00 C ATOM 0 H ILE A 64 13.284 8.716 -2.148 1.00 0.00 H new ATOM 0 HA ILE A 64 12.039 9.325 0.180 1.00 0.00 H new ATOM 0 HB ILE A 64 12.332 11.422 -1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 64 14.573 11.400 -0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.217 9.684 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 64 12.616 12.787 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 64 11.043 11.956 0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 64 12.382 11.380 1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 64 15.829 10.201 -2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 64 14.314 9.589 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 64 14.676 11.331 -2.876 1.00 0.00 H new ATOM 872 N SER A 65 10.073 9.889 -2.531 1.00 0.00 N ATOM 873 CA SER A 65 8.679 9.970 -2.922 1.00 0.00 C ATOM 874 C SER A 65 7.864 8.745 -2.550 1.00 0.00 C ATOM 875 O SER A 65 6.688 8.962 -2.279 1.00 0.00 O ATOM 876 CB SER A 65 8.589 10.227 -4.423 1.00 0.00 C ATOM 877 OG SER A 65 9.341 9.286 -5.165 1.00 0.00 O ATOM 0 H SER A 65 10.736 10.031 -3.293 1.00 0.00 H new ATOM 0 HA SER A 65 8.243 10.798 -2.363 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.546 10.186 -4.736 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.949 11.233 -4.641 1.00 0.00 H new ATOM 0 HG SER A 65 9.258 9.482 -6.122 1.00 0.00 H new ATOM 883 N GLN A 66 8.495 7.569 -2.519 1.00 0.00 N ATOM 884 CA GLN A 66 7.833 6.289 -2.423 1.00 0.00 C ATOM 885 C GLN A 66 7.567 6.044 -0.940 1.00 0.00 C ATOM 886 O GLN A 66 6.435 5.701 -0.591 1.00 0.00 O ATOM 887 CB GLN A 66 8.706 5.223 -3.066 1.00 0.00 C ATOM 888 CG GLN A 66 8.942 5.513 -4.548 1.00 0.00 C ATOM 889 CD GLN A 66 9.528 4.277 -5.204 1.00 0.00 C ATOM 890 OE1 GLN A 66 8.783 3.355 -5.541 1.00 0.00 O ATOM 891 NE2 GLN A 66 10.843 4.115 -5.340 1.00 0.00 N ATOM 0 H GLN A 66 9.511 7.491 -2.562 1.00 0.00 H new ATOM 0 HA GLN A 66 6.883 6.262 -2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.663 5.173 -2.547 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.232 4.248 -2.956 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.005 5.788 -5.032 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.620 6.358 -4.663 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.480 4.864 -5.068 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.213 3.242 -5.716 1.00 0.00 H new ATOM 900 N ALA A 67 8.536 6.089 -0.028 1.00 0.00 N ATOM 901 CA ALA A 67 8.423 6.270 1.406 1.00 0.00 C ATOM 902 C ALA A 67 7.538 7.418 1.831 1.00 0.00 C ATOM 903 O ALA A 67 6.771 7.255 2.781 1.00 0.00 O ATOM 904 CB ALA A 67 9.783 6.473 2.042 1.00 0.00 C ATOM 0 H ALA A 67 9.512 5.989 -0.309 1.00 0.00 H new ATOM 0 HA ALA A 67 7.956 5.348 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.666 6.606 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.408 5.601 1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.255 7.358 1.616 1.00 0.00 H new ATOM 910 N ARG A 68 7.452 8.536 1.097 1.00 0.00 N ATOM 911 CA ARG A 68 6.374 9.454 1.387 1.00 0.00 C ATOM 912 C ARG A 68 5.019 8.975 0.865 1.00 0.00 C ATOM 913 O ARG A 68 4.068 9.280 1.575 1.00 0.00 O ATOM 914 CB ARG A 68 6.830 10.778 0.774 1.00 0.00 C ATOM 915 CG ARG A 68 7.815 11.560 1.642 1.00 0.00 C ATOM 916 CD ARG A 68 7.837 13.054 1.315 1.00 0.00 C ATOM 917 NE ARG A 68 8.720 13.671 2.306 1.00 0.00 N ATOM 918 CZ ARG A 68 8.365 14.296 3.437 1.00 0.00 C ATOM 919 NH1 ARG A 68 7.133 14.282 3.959 1.00 0.00 N ATOM 920 NH2 ARG A 68 9.365 14.924 4.064 1.00 0.00 N ATOM 0 H ARG A 68 8.083 8.806 0.342 1.00 0.00 H new ATOM 0 HA ARG A 68 6.195 9.547 2.458 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.293 10.578 -0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.955 11.400 0.586 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.553 11.426 2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.816 11.149 1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.205 13.227 0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.835 13.480 1.367 1.00 0.00 H new ATOM 0 HE ARG A 68 9.720 13.619 2.114 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.386 13.770 3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.941 14.784 4.826 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.307 14.901 3.673 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.186 15.427 4.933 1.00 0.00 H new ATOM 934 N GLN A 69 4.881 8.283 -0.270 1.00 0.00 N ATOM 935 CA GLN A 69 3.579 7.822 -0.692 1.00 0.00 C ATOM 936 C GLN A 69 2.991 6.700 0.144 1.00 0.00 C ATOM 937 O GLN A 69 1.789 6.483 0.069 1.00 0.00 O ATOM 938 CB GLN A 69 3.711 7.299 -2.122 1.00 0.00 C ATOM 939 CG GLN A 69 3.580 8.340 -3.239 1.00 0.00 C ATOM 940 CD GLN A 69 4.136 7.834 -4.559 1.00 0.00 C ATOM 941 OE1 GLN A 69 3.467 7.223 -5.384 1.00 0.00 O ATOM 942 NE2 GLN A 69 5.448 8.069 -4.701 1.00 0.00 N ATOM 0 H GLN A 69 5.648 8.039 -0.896 1.00 0.00 H new ATOM 0 HA GLN A 69 2.908 8.674 -0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.681 6.812 -2.220 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.952 6.532 -2.278 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.530 8.605 -3.366 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.106 9.250 -2.950 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.955 8.584 -3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.940 7.733 -5.529 1.00 0.00 H new ATOM 951 N LEU A 70 3.916 5.865 0.641 1.00 0.00 N ATOM 952 CA LEU A 70 3.765 4.710 1.525 1.00 0.00 C ATOM 953 C LEU A 70 2.785 4.901 2.662 1.00 0.00 C ATOM 954 O LEU A 70 1.737 4.248 2.684 1.00 0.00 O ATOM 955 CB LEU A 70 5.119 4.287 2.085 1.00 0.00 C ATOM 956 CG LEU A 70 5.221 2.893 2.679 1.00 0.00 C ATOM 957 CD1 LEU A 70 6.676 2.502 2.923 1.00 0.00 C ATOM 958 CD2 LEU A 70 4.514 2.574 3.997 1.00 0.00 C ATOM 0 H LEU A 70 4.898 6.003 0.403 1.00 0.00 H new ATOM 0 HA LEU A 70 3.344 3.927 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.855 4.368 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.405 5.004 2.855 1.00 0.00 H new ATOM 0 HG LEU A 70 4.699 2.335 1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.717 1.499 3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.220 2.518 1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.131 3.209 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.698 1.534 4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.898 3.225 4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.442 2.735 3.883 1.00 0.00 H new ATOM 970 N GLU A 71 3.113 5.689 3.682 1.00 0.00 N ATOM 971 CA GLU A 71 2.248 6.067 4.773 1.00 0.00 C ATOM 972 C GLU A 71 0.905 6.554 4.238 1.00 0.00 C ATOM 973 O GLU A 71 -0.108 6.757 4.903 1.00 0.00 O ATOM 974 CB GLU A 71 3.028 7.157 5.487 1.00 0.00 C ATOM 975 CG GLU A 71 4.194 6.546 6.278 1.00 0.00 C ATOM 976 CD GLU A 71 4.966 7.632 7.020 1.00 0.00 C ATOM 977 OE1 GLU A 71 4.507 8.107 8.089 1.00 0.00 O ATOM 978 OE2 GLU A 71 6.089 7.870 6.546 1.00 0.00 O ATOM 0 H GLU A 71 4.043 6.099 3.765 1.00 0.00 H new ATOM 0 HA GLU A 71 2.002 5.247 5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.409 7.876 4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.369 7.703 6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.814 5.812 6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.863 6.016 5.600 1.00 0.00 H new ATOM 985 N LYS A 72 0.888 6.931 2.956 1.00 0.00 N ATOM 986 CA LYS A 72 -0.150 7.719 2.333 1.00 0.00 C ATOM 987 C LYS A 72 -1.178 6.944 1.516 1.00 0.00 C ATOM 988 O LYS A 72 -2.165 7.567 1.159 1.00 0.00 O ATOM 989 CB LYS A 72 0.448 8.925 1.620 1.00 0.00 C ATOM 990 CG LYS A 72 0.893 9.890 2.709 1.00 0.00 C ATOM 991 CD LYS A 72 0.968 11.367 2.336 1.00 0.00 C ATOM 992 CE LYS A 72 -0.336 12.038 1.883 1.00 0.00 C ATOM 993 NZ LYS A 72 -0.096 13.467 1.639 1.00 0.00 N ATOM 0 H LYS A 72 1.634 6.679 2.307 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.771 8.092 3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.291 8.629 0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.286 9.392 0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.210 9.788 3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.878 9.578 3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.350 11.915 3.197 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.701 11.478 1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.706 11.561 0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.105 11.913 2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.980 13.920 1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.238 13.917 2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.624 13.576 0.897 1.00 0.00 H new ATOM 1007 N ILE A 73 -1.082 5.648 1.221 1.00 0.00 N ATOM 1008 CA ILE A 73 -1.980 4.972 0.302 1.00 0.00 C ATOM 1009 C ILE A 73 -3.469 4.879 0.558 1.00 0.00 C ATOM 1010 O ILE A 73 -4.220 5.087 -0.395 1.00 0.00 O ATOM 1011 CB ILE A 73 -1.389 3.582 0.035 1.00 0.00 C ATOM 1012 CG1 ILE A 73 -1.100 2.797 1.301 1.00 0.00 C ATOM 1013 CG2 ILE A 73 -0.127 3.647 -0.816 1.00 0.00 C ATOM 1014 CD1 ILE A 73 -0.879 1.326 1.025 1.00 0.00 C ATOM 0 H ILE A 73 -0.370 5.037 1.620 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.007 5.652 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.166 3.053 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.217 3.210 1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.932 2.913 1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.255 2.639 -0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.359 4.106 -1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.628 4.243 -0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.676 0.807 1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.771 0.904 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.030 1.206 0.352 1.00 0.00 H new ATOM 1026 N LEU A 74 -3.927 4.522 1.755 1.00 0.00 N ATOM 1027 CA LEU A 74 -5.317 4.243 2.092 1.00 0.00 C ATOM 1028 C LEU A 74 -6.114 5.544 2.177 1.00 0.00 C ATOM 1029 O LEU A 74 -7.319 5.588 1.973 1.00 0.00 O ATOM 1030 CB LEU A 74 -5.362 3.329 3.307 1.00 0.00 C ATOM 1031 CG LEU A 74 -4.609 2.000 3.303 1.00 0.00 C ATOM 1032 CD1 LEU A 74 -4.923 1.231 4.584 1.00 0.00 C ATOM 1033 CD2 LEU A 74 -4.876 1.127 2.095 1.00 0.00 C ATOM 0 H LEU A 74 -3.305 4.414 2.556 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.825 3.685 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.995 3.905 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.411 3.105 3.503 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.550 2.254 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.385 0.283 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.614 1.820 5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.995 1.040 4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.300 0.205 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.938 0.888 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.582 1.659 1.190 1.00 0.00 H new ATOM 1045 N GLY A 75 -5.407 6.667 2.317 1.00 0.00 N ATOM 1046 CA GLY A 75 -6.060 7.837 2.863 1.00 0.00 C ATOM 1047 C GLY A 75 -6.435 7.777 4.342 1.00 0.00 C ATOM 1048 O GLY A 75 -7.009 8.711 4.893 1.00 0.00 O ATOM 0 H GLY A 75 -4.424 6.782 2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.406 8.696 2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.967 8.022 2.288 1.00 0.00 H new ATOM 1052 N ILE A 76 -6.137 6.647 4.993 1.00 0.00 N ATOM 1053 CA ILE A 76 -6.384 6.385 6.391 1.00 0.00 C ATOM 1054 C ILE A 76 -5.215 5.581 6.968 1.00 0.00 C ATOM 1055 O ILE A 76 -4.321 5.210 6.213 1.00 0.00 O ATOM 1056 CB ILE A 76 -7.681 5.613 6.609 1.00 0.00 C ATOM 1057 CG1 ILE A 76 -7.649 4.334 5.789 1.00 0.00 C ATOM 1058 CG2 ILE A 76 -8.872 6.548 6.380 1.00 0.00 C ATOM 1059 CD1 ILE A 76 -8.760 3.401 6.237 1.00 0.00 C ATOM 0 H ILE A 76 -5.694 5.858 4.523 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.479 7.345 6.898 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.797 5.273 7.638 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.764 4.568 4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.683 3.843 5.903 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.801 5.999 6.535 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.821 7.381 7.082 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.843 6.931 5.360 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.729 2.487 5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.626 3.155 7.290 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.724 3.891 6.099 1.00 0.00 H new ATOM 1071 N LYS A 77 -5.185 5.297 8.266 1.00 0.00 N ATOM 1072 CA LYS A 77 -4.133 4.658 9.028 1.00 0.00 C ATOM 1073 C LYS A 77 -4.608 4.491 10.460 1.00 0.00 C ATOM 1074 O LYS A 77 -5.440 5.288 10.891 1.00 0.00 O ATOM 1075 CB LYS A 77 -2.734 5.202 8.767 1.00 0.00 C ATOM 1076 CG LYS A 77 -2.505 6.706 8.821 1.00 0.00 C ATOM 1077 CD LYS A 77 -1.214 7.152 8.130 1.00 0.00 C ATOM 1078 CE LYS A 77 -1.410 8.526 7.508 1.00 0.00 C ATOM 1079 NZ LYS A 77 -0.225 8.865 6.703 1.00 0.00 N ATOM 0 H LYS A 77 -5.977 5.534 8.863 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.954 3.645 8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.061 4.741 9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.426 4.857 7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.351 7.211 8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.479 7.024 9.863 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.397 7.182 8.851 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.935 6.431 7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.303 8.532 6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.561 9.273 8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.331 9.825 6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.624 8.825 7.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.130 8.185 5.921 1.00 0.00 H new ATOM 1093 N LEU A 78 -4.163 3.448 11.174 1.00 0.00 N ATOM 1094 CA LEU A 78 -4.507 3.243 12.556 1.00 0.00 C ATOM 1095 C LEU A 78 -3.230 2.894 13.313 1.00 0.00 C ATOM 1096 O LEU A 78 -2.328 2.236 12.788 1.00 0.00 O ATOM 1097 CB LEU A 78 -5.601 2.202 12.827 1.00 0.00 C ATOM 1098 CG LEU A 78 -6.996 2.604 12.360 1.00 0.00 C ATOM 1099 CD1 LEU A 78 -7.973 1.436 12.497 1.00 0.00 C ATOM 1100 CD2 LEU A 78 -7.524 3.848 13.064 1.00 0.00 C ATOM 0 H LEU A 78 -3.551 2.727 10.791 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.950 4.175 12.906 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.324 1.269 12.337 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.635 2.002 13.898 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.909 2.864 11.305 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.961 1.747 12.158 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.627 0.599 11.890 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.028 1.128 13.541 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.520 4.083 12.689 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.574 3.665 14.137 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.856 4.687 12.870 1.00 0.00 H new