USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=11 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=-0.00335 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -16:sc= 1.1 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -113:sc= 0.596 (180deg=-2.6!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0349 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0387 K(o=-0.039,f=-2.3!) USER MOD Single : A 43 GLN : amide:sc= 0.322 X(o=0.32,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= 0.0176 USER MOD Single : A 50 ASN : amide:sc= -0.0087 K(o=-0.0087,f=-0.62) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -82:sc= 1.17 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 66 GLN : amide:sc= -0.0923 K(o=-0.092,f=-3.9!) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.328 F(o=-0.97!,f=-0.33) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= -0.0189 (180deg=-0.161) USER MOD ----------------------------------------------------------------- ATOM 152 N TYR A 23 8.123 -3.201 7.517 1.00 0.00 N ATOM 153 CA TYR A 23 6.812 -2.940 6.957 1.00 0.00 C ATOM 154 C TYR A 23 5.974 -1.886 7.674 1.00 0.00 C ATOM 155 O TYR A 23 6.194 -1.637 8.859 1.00 0.00 O ATOM 156 CB TYR A 23 6.093 -4.269 7.204 1.00 0.00 C ATOM 157 CG TYR A 23 4.647 -4.404 6.779 1.00 0.00 C ATOM 158 CD1 TYR A 23 3.682 -3.991 7.713 1.00 0.00 C ATOM 159 CD2 TYR A 23 4.335 -5.041 5.582 1.00 0.00 C ATOM 160 CE1 TYR A 23 2.344 -4.229 7.367 1.00 0.00 C ATOM 161 CE2 TYR A 23 2.994 -5.316 5.297 1.00 0.00 C ATOM 162 CZ TYR A 23 1.983 -4.930 6.203 1.00 0.00 C ATOM 163 OH TYR A 23 0.701 -5.308 5.925 1.00 0.00 O ATOM 0 HA TYR A 23 6.927 -2.581 5.934 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.660 -5.050 6.698 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.144 -4.479 8.272 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.955 -3.517 8.644 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.114 -5.318 4.886 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.564 -3.861 8.017 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.731 -5.825 4.381 1.00 0.00 H new ATOM 0 HH TYR A 23 0.678 -5.781 5.067 1.00 0.00 H new ATOM 173 N TYR A 24 5.031 -1.278 6.945 1.00 0.00 N ATOM 174 CA TYR A 24 4.199 -0.209 7.415 1.00 0.00 C ATOM 175 C TYR A 24 3.081 -0.577 8.388 1.00 0.00 C ATOM 176 O TYR A 24 1.905 -0.727 8.051 1.00 0.00 O ATOM 177 CB TYR A 24 3.633 0.605 6.267 1.00 0.00 C ATOM 178 CG TYR A 24 2.892 -0.055 5.129 1.00 0.00 C ATOM 179 CD1 TYR A 24 2.332 -1.349 5.111 1.00 0.00 C ATOM 180 CD2 TYR A 24 2.756 0.577 3.893 1.00 0.00 C ATOM 181 CE1 TYR A 24 1.739 -2.005 4.027 1.00 0.00 C ATOM 182 CE2 TYR A 24 2.006 0.068 2.823 1.00 0.00 C ATOM 183 CZ TYR A 24 1.621 -1.279 2.823 1.00 0.00 C ATOM 184 OH TYR A 24 1.099 -1.765 1.651 1.00 0.00 O ATOM 0 H TYR A 24 4.834 -1.540 5.979 1.00 0.00 H new ATOM 0 HA TYR A 24 4.894 0.386 8.007 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.957 1.341 6.702 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.464 1.156 5.828 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.365 -1.897 6.041 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.262 1.521 3.751 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.387 -3.023 4.108 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.726 0.712 2.002 1.00 0.00 H new ATOM 0 HH TYR A 24 1.051 -2.743 1.695 1.00 0.00 H new ATOM 194 N LYS A 25 3.496 -0.788 9.634 1.00 0.00 N ATOM 195 CA LYS A 25 2.776 -1.299 10.776 1.00 0.00 C ATOM 196 C LYS A 25 1.547 -0.446 11.095 1.00 0.00 C ATOM 197 O LYS A 25 0.515 -1.023 11.417 1.00 0.00 O ATOM 198 CB LYS A 25 3.657 -1.296 12.029 1.00 0.00 C ATOM 199 CG LYS A 25 4.709 -2.422 12.031 1.00 0.00 C ATOM 200 CD LYS A 25 5.819 -2.350 13.066 1.00 0.00 C ATOM 201 CE LYS A 25 6.817 -3.474 12.762 1.00 0.00 C ATOM 202 NZ LYS A 25 8.039 -3.267 13.551 1.00 0.00 N ATOM 0 H LYS A 25 4.461 -0.577 9.887 1.00 0.00 H new ATOM 0 HA LYS A 25 2.476 -2.314 10.515 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.163 -0.334 12.108 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.024 -1.396 12.911 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.186 -3.369 12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.172 -2.450 11.044 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.314 -1.379 13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.412 -2.462 14.071 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.376 -4.442 13.001 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.055 -3.486 11.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.717 -4.028 13.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.462 -2.350 13.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.804 -3.276 14.564 1.00 0.00 H new ATOM 216 N ILE A 26 1.608 0.862 10.847 1.00 0.00 N ATOM 217 CA ILE A 26 0.500 1.722 11.201 1.00 0.00 C ATOM 218 C ILE A 26 -0.711 1.386 10.322 1.00 0.00 C ATOM 219 O ILE A 26 -1.841 1.632 10.725 1.00 0.00 O ATOM 220 CB ILE A 26 0.859 3.185 10.988 1.00 0.00 C ATOM 221 CG1 ILE A 26 1.363 3.624 9.621 1.00 0.00 C ATOM 222 CG2 ILE A 26 1.790 3.659 12.100 1.00 0.00 C ATOM 223 CD1 ILE A 26 1.172 5.070 9.147 1.00 0.00 C ATOM 0 H ILE A 26 2.400 1.334 10.411 1.00 0.00 H new ATOM 0 HA ILE A 26 0.267 1.559 12.253 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.110 3.683 11.029 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.432 3.414 9.590 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.890 2.978 8.881 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.043 4.707 11.941 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.292 3.548 13.063 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.701 3.061 12.091 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.597 5.185 8.150 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.108 5.306 9.117 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.674 5.748 9.837 1.00 0.00 H new ATOM 235 N ILE A 27 -0.528 1.067 9.032 1.00 0.00 N ATOM 236 CA ILE A 27 -1.585 0.827 8.072 1.00 0.00 C ATOM 237 C ILE A 27 -2.501 -0.314 8.483 1.00 0.00 C ATOM 238 O ILE A 27 -3.732 -0.297 8.420 1.00 0.00 O ATOM 239 CB ILE A 27 -1.122 0.779 6.617 1.00 0.00 C ATOM 240 CG1 ILE A 27 -0.351 2.021 6.233 1.00 0.00 C ATOM 241 CG2 ILE A 27 -2.289 0.604 5.639 1.00 0.00 C ATOM 242 CD1 ILE A 27 -1.038 3.378 6.138 1.00 0.00 C ATOM 0 H ILE A 27 0.402 0.968 8.625 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.209 1.720 8.100 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.469 -0.091 6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.462 2.126 6.951 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.104 1.826 5.262 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.907 0.576 4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.810 -0.328 5.857 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.981 1.440 5.745 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.309 4.135 5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.830 3.333 5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.466 3.638 7.106 1.00 0.00 H new ATOM 254 N LYS A 28 -1.880 -1.398 8.965 1.00 0.00 N ATOM 255 CA LYS A 28 -2.296 -2.776 9.032 1.00 0.00 C ATOM 256 C LYS A 28 -3.737 -2.990 9.477 1.00 0.00 C ATOM 257 O LYS A 28 -4.625 -3.275 8.689 1.00 0.00 O ATOM 258 CB LYS A 28 -1.226 -3.722 9.567 1.00 0.00 C ATOM 259 CG LYS A 28 -1.425 -5.177 9.115 1.00 0.00 C ATOM 260 CD LYS A 28 -0.494 -5.964 10.037 1.00 0.00 C ATOM 261 CE LYS A 28 -0.646 -7.473 9.825 1.00 0.00 C ATOM 262 NZ LYS A 28 -1.985 -8.003 10.138 1.00 0.00 N ATOM 0 H LYS A 28 -0.948 -1.297 9.368 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.373 -3.115 7.999 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.246 -3.376 9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.227 -3.683 10.656 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.462 -5.494 9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.160 -5.312 8.066 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.539 -5.671 9.851 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.713 -5.717 11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.410 -7.707 8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.089 -7.990 10.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.926 -8.625 10.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.632 -7.214 10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.343 -8.544 9.325 1.00 0.00 H new ATOM 276 N THR A 29 -4.004 -2.831 10.775 1.00 0.00 N ATOM 277 CA THR A 29 -5.205 -3.181 11.514 1.00 0.00 C ATOM 278 C THR A 29 -6.469 -2.582 10.903 1.00 0.00 C ATOM 279 O THR A 29 -7.457 -3.318 10.791 1.00 0.00 O ATOM 280 CB THR A 29 -5.061 -2.726 12.965 1.00 0.00 C ATOM 281 OG1 THR A 29 -3.807 -3.179 13.406 1.00 0.00 O ATOM 282 CG2 THR A 29 -6.206 -3.137 13.884 1.00 0.00 C ATOM 0 H THR A 29 -3.309 -2.410 11.392 1.00 0.00 H new ATOM 0 HA THR A 29 -5.313 -4.265 11.466 1.00 0.00 H new ATOM 0 HB THR A 29 -5.119 -1.638 13.006 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.670 -2.907 14.337 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.014 -2.769 14.892 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.139 -2.712 13.514 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.285 -4.224 13.904 1.00 0.00 H new ATOM 290 N ALA A 30 -6.367 -1.308 10.520 1.00 0.00 N ATOM 291 CA ALA A 30 -7.439 -0.587 9.875 1.00 0.00 C ATOM 292 C ALA A 30 -7.905 -1.037 8.505 1.00 0.00 C ATOM 293 O ALA A 30 -9.091 -1.308 8.310 1.00 0.00 O ATOM 294 CB ALA A 30 -6.962 0.870 9.913 1.00 0.00 C ATOM 0 H ALA A 30 -5.523 -0.751 10.656 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.367 -0.778 10.413 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.709 1.510 9.444 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.818 1.179 10.948 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.019 0.958 9.374 1.00 0.00 H new ATOM 300 N ARG A 31 -6.935 -1.252 7.598 1.00 0.00 N ATOM 301 CA ARG A 31 -7.151 -1.870 6.308 1.00 0.00 C ATOM 302 C ARG A 31 -7.696 -3.273 6.468 1.00 0.00 C ATOM 303 O ARG A 31 -8.350 -3.780 5.565 1.00 0.00 O ATOM 304 CB ARG A 31 -5.840 -1.778 5.518 1.00 0.00 C ATOM 305 CG ARG A 31 -5.961 -2.289 4.090 1.00 0.00 C ATOM 306 CD ARG A 31 -4.652 -2.246 3.296 1.00 0.00 C ATOM 307 NE ARG A 31 -3.801 -3.395 3.593 1.00 0.00 N ATOM 308 CZ ARG A 31 -2.556 -3.603 3.137 1.00 0.00 C ATOM 309 NH1 ARG A 31 -1.968 -2.752 2.271 1.00 0.00 N ATOM 310 NH2 ARG A 31 -1.884 -4.689 3.513 1.00 0.00 N ATOM 0 H ARG A 31 -5.963 -0.990 7.760 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.917 -1.347 5.735 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.508 -0.740 5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.070 -2.349 6.037 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.326 -3.316 4.113 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.711 -1.696 3.566 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.874 -2.224 2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.115 -1.326 3.529 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.191 -4.110 4.207 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.471 -1.926 1.947 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.020 -2.935 1.941 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.315 -5.362 4.147 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.938 -4.848 3.167 1.00 0.00 H new ATOM 324 N GLU A 32 -7.309 -4.109 7.440 1.00 0.00 N ATOM 325 CA GLU A 32 -7.788 -5.444 7.678 1.00 0.00 C ATOM 326 C GLU A 32 -9.232 -5.497 8.173 1.00 0.00 C ATOM 327 O GLU A 32 -9.852 -6.533 7.997 1.00 0.00 O ATOM 328 CB GLU A 32 -6.856 -5.956 8.771 1.00 0.00 C ATOM 329 CG GLU A 32 -5.570 -6.476 8.112 1.00 0.00 C ATOM 330 CD GLU A 32 -4.780 -7.347 9.079 1.00 0.00 C ATOM 331 OE1 GLU A 32 -4.435 -6.958 10.209 1.00 0.00 O ATOM 332 OE2 GLU A 32 -4.463 -8.526 8.797 1.00 0.00 O ATOM 0 H GLU A 32 -6.601 -3.834 8.121 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.787 -6.030 6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.624 -5.157 9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.339 -6.751 9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.820 -7.050 7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.956 -5.635 7.789 1.00 0.00 H new ATOM 339 N GLN A 33 -9.646 -4.489 8.944 1.00 0.00 N ATOM 340 CA GLN A 33 -11.032 -4.343 9.353 1.00 0.00 C ATOM 341 C GLN A 33 -11.907 -4.204 8.120 1.00 0.00 C ATOM 342 O GLN A 33 -13.120 -4.379 8.202 1.00 0.00 O ATOM 343 CB GLN A 33 -11.122 -3.316 10.488 1.00 0.00 C ATOM 344 CG GLN A 33 -10.559 -3.825 11.812 1.00 0.00 C ATOM 345 CD GLN A 33 -10.687 -2.908 13.019 1.00 0.00 C ATOM 346 OE1 GLN A 33 -11.519 -2.010 13.082 1.00 0.00 O ATOM 347 NE2 GLN A 33 -9.868 -3.066 14.063 1.00 0.00 N ATOM 0 H GLN A 33 -9.028 -3.758 9.297 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.459 -5.227 9.826 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.584 -2.414 10.196 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.165 -3.033 10.630 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.053 -4.767 12.049 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.502 -4.047 11.667 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.162 -3.802 14.050 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.949 -2.451 14.873 1.00 0.00 H new ATOM 356 N LEU A 34 -11.392 -3.711 7.006 1.00 0.00 N ATOM 357 CA LEU A 34 -12.079 -3.460 5.756 1.00 0.00 C ATOM 358 C LEU A 34 -12.306 -4.712 4.927 1.00 0.00 C ATOM 359 O LEU A 34 -13.238 -4.793 4.144 1.00 0.00 O ATOM 360 CB LEU A 34 -11.479 -2.303 4.964 1.00 0.00 C ATOM 361 CG LEU A 34 -11.369 -0.943 5.656 1.00 0.00 C ATOM 362 CD1 LEU A 34 -10.859 0.204 4.788 1.00 0.00 C ATOM 363 CD2 LEU A 34 -12.653 -0.454 6.335 1.00 0.00 C ATOM 0 H LEU A 34 -10.406 -3.457 6.951 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.078 -3.127 6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.479 -2.598 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.075 -2.171 4.061 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.618 -1.180 6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.821 1.119 5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.860 -0.033 4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.531 0.347 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -12.473 0.517 6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.445 -0.362 5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.955 -1.169 7.100 1.00 0.00 H new ATOM 375 N GLY A 35 -11.447 -5.703 5.206 1.00 0.00 N ATOM 376 CA GLY A 35 -11.380 -6.960 4.476 1.00 0.00 C ATOM 377 C GLY A 35 -10.916 -6.922 3.022 1.00 0.00 C ATOM 378 O GLY A 35 -10.826 -7.980 2.406 1.00 0.00 O ATOM 0 H GLY A 35 -10.767 -5.643 5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.713 -7.628 5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.372 -7.412 4.498 1.00 0.00 H new ATOM 382 N ILE A 36 -10.579 -5.757 2.480 1.00 0.00 N ATOM 383 CA ILE A 36 -10.123 -5.376 1.161 1.00 0.00 C ATOM 384 C ILE A 36 -8.755 -5.739 0.596 1.00 0.00 C ATOM 385 O ILE A 36 -7.894 -6.133 1.373 1.00 0.00 O ATOM 386 CB ILE A 36 -10.269 -3.864 1.085 1.00 0.00 C ATOM 387 CG1 ILE A 36 -9.283 -3.101 1.970 1.00 0.00 C ATOM 388 CG2 ILE A 36 -11.709 -3.444 1.335 1.00 0.00 C ATOM 389 CD1 ILE A 36 -9.265 -1.580 1.861 1.00 0.00 C ATOM 0 H ILE A 36 -10.633 -4.923 3.065 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.748 -6.009 0.530 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.004 -3.583 0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.493 -3.361 3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.280 -3.465 1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.787 -2.358 1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.356 -3.896 0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.018 -3.776 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.519 -1.175 2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.016 -1.291 0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.247 -1.185 2.120 1.00 0.00 H new ATOM 401 N SER A 37 -8.645 -5.878 -0.733 1.00 0.00 N ATOM 402 CA SER A 37 -7.503 -6.514 -1.365 1.00 0.00 C ATOM 403 C SER A 37 -6.567 -5.562 -2.107 1.00 0.00 C ATOM 404 O SER A 37 -6.790 -4.368 -2.259 1.00 0.00 O ATOM 405 CB SER A 37 -7.955 -7.638 -2.291 1.00 0.00 C ATOM 406 OG SER A 37 -8.873 -7.098 -3.214 1.00 0.00 O ATOM 0 H SER A 37 -9.351 -5.549 -1.392 1.00 0.00 H new ATOM 0 HA SER A 37 -6.915 -6.920 -0.542 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.100 -8.070 -2.812 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.418 -8.441 -1.718 1.00 0.00 H new ATOM 0 HG SER A 37 -9.178 -7.803 -3.823 1.00 0.00 H new ATOM 412 N GLN A 38 -5.458 -6.117 -2.588 1.00 0.00 N ATOM 413 CA GLN A 38 -4.494 -5.330 -3.331 1.00 0.00 C ATOM 414 C GLN A 38 -4.995 -4.603 -4.566 1.00 0.00 C ATOM 415 O GLN A 38 -4.467 -3.538 -4.913 1.00 0.00 O ATOM 416 CB GLN A 38 -3.268 -6.204 -3.602 1.00 0.00 C ATOM 417 CG GLN A 38 -2.215 -6.014 -2.517 1.00 0.00 C ATOM 418 CD GLN A 38 -1.136 -7.091 -2.413 1.00 0.00 C ATOM 419 OE1 GLN A 38 -0.574 -7.482 -3.430 1.00 0.00 O ATOM 420 NE2 GLN A 38 -0.947 -7.783 -1.288 1.00 0.00 N ATOM 0 H GLN A 38 -5.211 -7.100 -2.475 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.236 -4.484 -2.694 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.566 -7.252 -3.646 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.844 -5.952 -4.574 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.724 -5.055 -2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.725 -5.949 -1.556 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.400 -7.485 -0.424 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.350 -8.610 -1.292 1.00 0.00 H new ATOM 429 N GLN A 39 -6.056 -5.084 -5.226 1.00 0.00 N ATOM 430 CA GLN A 39 -6.622 -4.392 -6.370 1.00 0.00 C ATOM 431 C GLN A 39 -6.995 -2.962 -6.002 1.00 0.00 C ATOM 432 O GLN A 39 -7.060 -2.070 -6.835 1.00 0.00 O ATOM 433 CB GLN A 39 -7.852 -5.071 -6.983 1.00 0.00 C ATOM 434 CG GLN A 39 -9.154 -5.054 -6.179 1.00 0.00 C ATOM 435 CD GLN A 39 -10.243 -5.990 -6.706 1.00 0.00 C ATOM 436 OE1 GLN A 39 -11.268 -5.542 -7.205 1.00 0.00 O ATOM 437 NE2 GLN A 39 -10.152 -7.324 -6.607 1.00 0.00 N ATOM 0 H GLN A 39 -6.534 -5.951 -4.980 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.835 -4.415 -7.124 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.048 -4.601 -7.947 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.595 -6.111 -7.182 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.931 -5.323 -5.147 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.544 -4.036 -6.166 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.320 -7.750 -6.199 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.915 -7.913 -6.940 1.00 0.00 H new ATOM 446 N GLN A 40 -7.496 -2.696 -4.791 1.00 0.00 N ATOM 447 CA GLN A 40 -7.847 -1.388 -4.297 1.00 0.00 C ATOM 448 C GLN A 40 -6.653 -0.462 -4.155 1.00 0.00 C ATOM 449 O GLN A 40 -6.818 0.725 -4.423 1.00 0.00 O ATOM 450 CB GLN A 40 -8.574 -1.521 -2.952 1.00 0.00 C ATOM 451 CG GLN A 40 -9.655 -2.593 -2.991 1.00 0.00 C ATOM 452 CD GLN A 40 -10.889 -2.298 -3.839 1.00 0.00 C ATOM 453 OE1 GLN A 40 -10.936 -1.422 -4.698 1.00 0.00 O ATOM 454 NE2 GLN A 40 -11.920 -3.105 -3.581 1.00 0.00 N ATOM 0 H GLN A 40 -7.671 -3.432 -4.107 1.00 0.00 H new ATOM 0 HA GLN A 40 -8.505 -0.934 -5.038 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.852 -1.763 -2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.022 -0.564 -2.686 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.205 -3.516 -3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.983 -2.782 -1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.839 -3.820 -2.858 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.789 -3.006 -4.106 1.00 0.00 H new ATOM 463 N LEU A 41 -5.494 -0.920 -3.683 1.00 0.00 N ATOM 464 CA LEU A 41 -4.204 -0.268 -3.571 1.00 0.00 C ATOM 465 C LEU A 41 -3.669 0.133 -4.950 1.00 0.00 C ATOM 466 O LEU A 41 -3.008 1.145 -5.185 1.00 0.00 O ATOM 467 CB LEU A 41 -3.345 -1.052 -2.573 1.00 0.00 C ATOM 468 CG LEU A 41 -1.859 -0.700 -2.558 1.00 0.00 C ATOM 469 CD1 LEU A 41 -1.594 0.689 -1.995 1.00 0.00 C ATOM 470 CD2 LEU A 41 -1.084 -1.713 -1.718 1.00 0.00 C ATOM 0 H LEU A 41 -5.439 -1.875 -3.329 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.232 0.720 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.747 -0.893 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.445 -2.115 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.527 -0.721 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.522 0.888 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.108 1.433 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.961 0.742 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.026 -1.450 -1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.462 -1.703 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.210 -2.709 -2.142 1.00 0.00 H new ATOM 482 N ALA A 42 -3.838 -0.820 -5.871 1.00 0.00 N ATOM 483 CA ALA A 42 -3.444 -0.656 -7.253 1.00 0.00 C ATOM 484 C ALA A 42 -4.173 0.489 -7.928 1.00 0.00 C ATOM 485 O ALA A 42 -3.559 1.376 -8.534 1.00 0.00 O ATOM 486 CB ALA A 42 -3.681 -2.068 -7.809 1.00 0.00 C ATOM 0 H ALA A 42 -4.255 -1.728 -5.667 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.414 -0.341 -7.421 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.419 -2.091 -8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.061 -2.782 -7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.731 -2.335 -7.689 1.00 0.00 H new ATOM 492 N GLN A 43 -5.477 0.566 -7.687 1.00 0.00 N ATOM 493 CA GLN A 43 -6.314 1.707 -8.007 1.00 0.00 C ATOM 494 C GLN A 43 -5.967 2.921 -7.155 1.00 0.00 C ATOM 495 O GLN A 43 -6.077 3.972 -7.773 1.00 0.00 O ATOM 496 CB GLN A 43 -7.733 1.155 -7.879 1.00 0.00 C ATOM 497 CG GLN A 43 -7.983 0.206 -9.053 1.00 0.00 C ATOM 498 CD GLN A 43 -9.422 -0.268 -8.969 1.00 0.00 C ATOM 499 OE1 GLN A 43 -10.265 0.130 -9.762 1.00 0.00 O ATOM 500 NE2 GLN A 43 -9.711 -1.179 -8.043 1.00 0.00 N ATOM 0 H GLN A 43 -5.995 -0.195 -7.247 1.00 0.00 H new ATOM 0 HA GLN A 43 -6.170 2.114 -9.008 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -7.852 0.628 -6.932 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -8.459 1.968 -7.885 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -7.803 0.715 -10.000 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.299 -0.641 -9.011 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -8.989 -1.493 -7.394 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.654 -1.563 -7.982 1.00 0.00 H new ATOM 509 N LYS A 44 -5.570 2.887 -5.889 1.00 0.00 N ATOM 510 CA LYS A 44 -5.394 4.158 -5.215 1.00 0.00 C ATOM 511 C LYS A 44 -4.255 5.027 -5.726 1.00 0.00 C ATOM 512 O LYS A 44 -4.331 6.233 -5.505 1.00 0.00 O ATOM 513 CB LYS A 44 -5.279 3.897 -3.714 1.00 0.00 C ATOM 514 CG LYS A 44 -5.832 5.016 -2.839 1.00 0.00 C ATOM 515 CD LYS A 44 -7.273 5.478 -2.917 1.00 0.00 C ATOM 516 CE LYS A 44 -7.612 6.375 -1.719 1.00 0.00 C ATOM 517 NZ LYS A 44 -9.055 6.650 -1.665 1.00 0.00 N ATOM 0 H LYS A 44 -5.375 2.049 -5.340 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.276 4.756 -5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.805 2.972 -3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.230 3.740 -3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.656 4.718 -1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.213 5.893 -3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.437 6.024 -3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.938 4.615 -2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.295 5.891 -0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.061 7.313 -1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.262 7.258 -0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.350 7.132 -2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.576 5.755 -1.571 1.00 0.00 H new ATOM 531 N LEU A 45 -3.256 4.415 -6.348 1.00 0.00 N ATOM 532 CA LEU A 45 -1.900 4.902 -6.587 1.00 0.00 C ATOM 533 C LEU A 45 -1.604 4.826 -8.089 1.00 0.00 C ATOM 534 O LEU A 45 -0.534 5.216 -8.561 1.00 0.00 O ATOM 535 CB LEU A 45 -0.844 4.235 -5.730 1.00 0.00 C ATOM 536 CG LEU A 45 0.622 4.618 -5.820 1.00 0.00 C ATOM 537 CD1 LEU A 45 0.877 6.117 -5.621 1.00 0.00 C ATOM 538 CD2 LEU A 45 1.447 3.803 -4.825 1.00 0.00 C ATOM 0 H LEU A 45 -3.384 3.480 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.852 5.944 -6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.144 4.379 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.903 3.166 -5.933 1.00 0.00 H new ATOM 0 HG LEU A 45 0.936 4.386 -6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.946 6.318 -5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.345 6.681 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.522 6.419 -4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.496 4.089 -4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.091 3.996 -3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.343 2.741 -5.050 1.00 0.00 H new ATOM 550 N LYS A 46 -2.582 4.438 -8.898 1.00 0.00 N ATOM 551 CA LYS A 46 -2.558 4.176 -10.317 1.00 0.00 C ATOM 552 C LYS A 46 -1.345 3.346 -10.720 1.00 0.00 C ATOM 553 O LYS A 46 -0.487 3.897 -11.418 1.00 0.00 O ATOM 554 CB LYS A 46 -2.825 5.465 -11.094 1.00 0.00 C ATOM 555 CG LYS A 46 -4.190 6.080 -10.766 1.00 0.00 C ATOM 556 CD LYS A 46 -4.434 7.464 -11.346 1.00 0.00 C ATOM 557 CE LYS A 46 -5.684 8.208 -10.870 1.00 0.00 C ATOM 558 NZ LYS A 46 -5.950 9.339 -11.768 1.00 0.00 N ATOM 0 H LYS A 46 -3.518 4.284 -8.522 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.381 3.522 -10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.041 6.189 -10.870 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.771 5.258 -12.163 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.969 5.409 -11.129 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.295 6.134 -9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.566 8.083 -11.121 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.488 7.372 -12.431 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.539 7.532 -10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.542 8.565 -9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.799 9.846 -11.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.137 9.987 -11.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.103 8.986 -12.734 1.00 0.00 H new ATOM 572 N VAL A 47 -1.263 2.086 -10.292 1.00 0.00 N ATOM 573 CA VAL A 47 -0.301 1.050 -10.592 1.00 0.00 C ATOM 574 C VAL A 47 -0.896 -0.351 -10.573 1.00 0.00 C ATOM 575 O VAL A 47 -2.031 -0.543 -10.175 1.00 0.00 O ATOM 576 CB VAL A 47 0.750 0.977 -9.487 1.00 0.00 C ATOM 577 CG1 VAL A 47 1.579 2.262 -9.460 1.00 0.00 C ATOM 578 CG2 VAL A 47 0.162 0.657 -8.113 1.00 0.00 C ATOM 0 H VAL A 47 -1.966 1.733 -9.643 1.00 0.00 H new ATOM 0 HA VAL A 47 0.083 1.312 -11.578 1.00 0.00 H new ATOM 0 HB VAL A 47 1.406 0.139 -9.725 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.325 2.197 -8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.079 2.392 -10.420 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.924 3.113 -9.273 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.963 0.620 -7.374 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.553 1.431 -7.834 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.343 -0.308 -8.149 1.00 0.00 H new ATOM 588 N SER A 48 -0.065 -1.283 -11.052 1.00 0.00 N ATOM 589 CA SER A 48 -0.512 -2.642 -11.331 1.00 0.00 C ATOM 590 C SER A 48 -0.195 -3.434 -10.075 1.00 0.00 C ATOM 591 O SER A 48 0.737 -3.102 -9.343 1.00 0.00 O ATOM 592 CB SER A 48 0.240 -3.110 -12.561 1.00 0.00 C ATOM 593 OG SER A 48 1.639 -2.935 -12.466 1.00 0.00 O ATOM 0 H SER A 48 0.921 -1.116 -11.253 1.00 0.00 H new ATOM 0 HA SER A 48 -1.575 -2.749 -11.549 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.024 -4.165 -12.730 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.128 -2.566 -13.431 1.00 0.00 H new ATOM 0 HG SER A 48 2.065 -3.257 -13.288 1.00 0.00 H new ATOM 599 N GLU A 49 -0.825 -4.585 -9.813 1.00 0.00 N ATOM 600 CA GLU A 49 -0.471 -5.419 -8.674 1.00 0.00 C ATOM 601 C GLU A 49 0.907 -6.074 -8.752 1.00 0.00 C ATOM 602 O GLU A 49 1.384 -6.472 -7.683 1.00 0.00 O ATOM 603 CB GLU A 49 -1.534 -6.516 -8.558 1.00 0.00 C ATOM 604 CG GLU A 49 -2.746 -5.987 -7.815 1.00 0.00 C ATOM 605 CD GLU A 49 -3.844 -7.028 -7.993 1.00 0.00 C ATOM 606 OE1 GLU A 49 -4.405 -7.221 -9.099 1.00 0.00 O ATOM 607 OE2 GLU A 49 -4.066 -7.793 -7.029 1.00 0.00 O ATOM 0 H GLU A 49 -1.586 -4.956 -10.382 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.431 -4.763 -7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.826 -6.857 -9.551 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.123 -7.378 -8.033 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.520 -5.837 -6.759 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.057 -5.022 -8.215 1.00 0.00 H new ATOM 614 N ASN A 50 1.587 -6.155 -9.898 1.00 0.00 N ATOM 615 CA ASN A 50 3.020 -6.289 -10.018 1.00 0.00 C ATOM 616 C ASN A 50 3.811 -5.289 -9.186 1.00 0.00 C ATOM 617 O ASN A 50 4.723 -5.692 -8.436 1.00 0.00 O ATOM 618 CB ASN A 50 3.330 -6.227 -11.512 1.00 0.00 C ATOM 619 CG ASN A 50 4.830 -6.349 -11.784 1.00 0.00 C ATOM 620 OD1 ASN A 50 5.580 -5.381 -11.902 1.00 0.00 O ATOM 621 ND2 ASN A 50 5.325 -7.580 -11.954 1.00 0.00 N ATOM 0 H ASN A 50 1.120 -6.126 -10.805 1.00 0.00 H new ATOM 0 HA ASN A 50 3.345 -7.241 -9.598 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.800 -7.028 -12.027 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.961 -5.287 -11.921 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.312 -7.706 -12.178 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.715 -8.392 -11.859 1.00 0.00 H new ATOM 628 N ILE A 51 3.456 -4.005 -9.231 1.00 0.00 N ATOM 629 CA ILE A 51 4.191 -2.959 -8.564 1.00 0.00 C ATOM 630 C ILE A 51 3.913 -2.934 -7.061 1.00 0.00 C ATOM 631 O ILE A 51 4.791 -2.561 -6.299 1.00 0.00 O ATOM 632 CB ILE A 51 3.835 -1.705 -9.349 1.00 0.00 C ATOM 633 CG1 ILE A 51 4.592 -1.650 -10.669 1.00 0.00 C ATOM 634 CG2 ILE A 51 4.242 -0.479 -8.533 1.00 0.00 C ATOM 635 CD1 ILE A 51 4.342 -0.487 -11.626 1.00 0.00 C ATOM 0 H ILE A 51 2.639 -3.670 -9.741 1.00 0.00 H new ATOM 0 HA ILE A 51 5.273 -3.093 -8.570 1.00 0.00 H new ATOM 0 HB ILE A 51 2.763 -1.720 -9.546 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.657 -1.660 -10.437 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.375 -2.571 -11.210 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.991 0.426 -9.086 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.710 -0.482 -7.582 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.316 -0.505 -8.348 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.963 -0.607 -12.514 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.292 -0.474 -11.917 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.593 0.451 -11.132 1.00 0.00 H new ATOM 647 N VAL A 52 2.728 -3.396 -6.635 1.00 0.00 N ATOM 648 CA VAL A 52 2.328 -3.396 -5.248 1.00 0.00 C ATOM 649 C VAL A 52 2.967 -4.570 -4.508 1.00 0.00 C ATOM 650 O VAL A 52 3.437 -4.372 -3.388 1.00 0.00 O ATOM 651 CB VAL A 52 0.839 -3.285 -4.991 1.00 0.00 C ATOM 652 CG1 VAL A 52 0.126 -2.331 -5.964 1.00 0.00 C ATOM 653 CG2 VAL A 52 0.054 -4.583 -4.828 1.00 0.00 C ATOM 0 H VAL A 52 2.023 -3.782 -7.263 1.00 0.00 H new ATOM 0 HA VAL A 52 2.714 -2.463 -4.836 1.00 0.00 H new ATOM 0 HB VAL A 52 0.832 -2.849 -3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.937 -2.296 -5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.551 -1.332 -5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.258 -2.688 -6.985 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.996 -4.353 -4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.146 -5.180 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.451 -5.145 -3.982 1.00 0.00 H new ATOM 663 N LYS A 53 2.942 -5.810 -5.008 1.00 0.00 N ATOM 664 CA LYS A 53 3.255 -6.972 -4.208 1.00 0.00 C ATOM 665 C LYS A 53 4.596 -6.868 -3.514 1.00 0.00 C ATOM 666 O LYS A 53 4.820 -7.416 -2.430 1.00 0.00 O ATOM 667 CB LYS A 53 3.043 -8.164 -5.141 1.00 0.00 C ATOM 668 CG LYS A 53 2.875 -9.459 -4.331 1.00 0.00 C ATOM 669 CD LYS A 53 2.689 -10.678 -5.248 1.00 0.00 C ATOM 670 CE LYS A 53 2.553 -11.995 -4.489 1.00 0.00 C ATOM 671 NZ LYS A 53 2.855 -13.136 -5.362 1.00 0.00 N ATOM 0 H LYS A 53 2.704 -6.023 -5.977 1.00 0.00 H new ATOM 0 HA LYS A 53 2.603 -7.086 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.160 -7.997 -5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.892 -8.259 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.749 -9.609 -3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.014 -9.366 -3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.801 -10.528 -5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.539 -10.745 -5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.228 -11.998 -3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.541 -12.090 -4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.756 -14.021 -4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.194 -13.143 -6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.829 -13.054 -5.716 1.00 0.00 H new ATOM 685 N ARG A 54 5.510 -6.114 -4.123 1.00 0.00 N ATOM 686 CA ARG A 54 6.845 -5.820 -3.643 1.00 0.00 C ATOM 687 C ARG A 54 7.026 -5.447 -2.179 1.00 0.00 C ATOM 688 O ARG A 54 7.780 -6.116 -1.475 1.00 0.00 O ATOM 689 CB ARG A 54 7.572 -4.772 -4.470 1.00 0.00 C ATOM 690 CG ARG A 54 7.594 -5.210 -5.938 1.00 0.00 C ATOM 691 CD ARG A 54 7.939 -4.049 -6.865 1.00 0.00 C ATOM 692 NE ARG A 54 7.824 -4.570 -8.227 1.00 0.00 N ATOM 693 CZ ARG A 54 8.176 -3.883 -9.327 1.00 0.00 C ATOM 694 NH1 ARG A 54 8.626 -2.621 -9.296 1.00 0.00 N ATOM 695 NH2 ARG A 54 7.987 -4.509 -10.496 1.00 0.00 N ATOM 0 H ARG A 54 5.319 -5.668 -5.020 1.00 0.00 H new ATOM 0 HA ARG A 54 7.284 -6.811 -3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.074 -3.807 -4.374 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.590 -4.644 -4.102 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.323 -6.010 -6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.621 -5.618 -6.211 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.260 -3.211 -6.710 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.947 -3.682 -6.672 1.00 0.00 H new ATOM 0 HE ARG A 54 7.454 -5.513 -8.349 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.716 -2.133 -8.405 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.879 -2.148 -10.164 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.597 -5.451 -10.513 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.233 -4.043 -11.369 1.00 0.00 H new ATOM 709 N PHE A 55 6.363 -4.403 -1.678 1.00 0.00 N ATOM 710 CA PHE A 55 6.436 -3.989 -0.291 1.00 0.00 C ATOM 711 C PHE A 55 5.273 -4.570 0.508 1.00 0.00 C ATOM 712 O PHE A 55 5.367 -4.816 1.720 1.00 0.00 O ATOM 713 CB PHE A 55 6.225 -2.484 -0.225 1.00 0.00 C ATOM 714 CG PHE A 55 5.097 -1.832 -0.992 1.00 0.00 C ATOM 715 CD1 PHE A 55 5.293 -1.504 -2.338 1.00 0.00 C ATOM 716 CD2 PHE A 55 3.926 -1.493 -0.329 1.00 0.00 C ATOM 717 CE1 PHE A 55 4.439 -0.633 -3.020 1.00 0.00 C ATOM 718 CE2 PHE A 55 3.041 -0.615 -0.979 1.00 0.00 C ATOM 719 CZ PHE A 55 3.326 -0.204 -2.281 1.00 0.00 C ATOM 0 H PHE A 55 5.750 -3.815 -2.243 1.00 0.00 H new ATOM 0 HA PHE A 55 7.398 -4.316 0.103 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.092 -2.224 0.825 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.152 -2.015 -0.555 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.130 -1.937 -2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.703 -1.889 0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.621 -0.315 -4.036 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.152 -0.263 -0.477 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.645 0.490 -2.751 1.00 0.00 H new ATOM 729 N GLU A 56 4.163 -4.842 -0.168 1.00 0.00 N ATOM 730 CA GLU A 56 3.026 -5.532 0.416 1.00 0.00 C ATOM 731 C GLU A 56 3.493 -6.813 1.088 1.00 0.00 C ATOM 732 O GLU A 56 3.029 -7.135 2.179 1.00 0.00 O ATOM 733 CB GLU A 56 1.910 -5.760 -0.601 1.00 0.00 C ATOM 734 CG GLU A 56 0.939 -4.580 -0.621 1.00 0.00 C ATOM 735 CD GLU A 56 -0.089 -4.560 0.515 1.00 0.00 C ATOM 736 OE1 GLU A 56 0.202 -4.228 1.682 1.00 0.00 O ATOM 737 OE2 GLU A 56 -1.273 -4.669 0.187 1.00 0.00 O ATOM 0 H GLU A 56 4.029 -4.586 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 56 2.585 -4.897 1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.340 -5.899 -1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.371 -6.675 -0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.515 -3.656 -0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.406 -4.585 -1.572 1.00 0.00 H new ATOM 744 N SER A 57 4.603 -7.387 0.596 1.00 0.00 N ATOM 745 CA SER A 57 5.120 -8.608 1.186 1.00 0.00 C ATOM 746 C SER A 57 6.260 -8.465 2.175 1.00 0.00 C ATOM 747 O SER A 57 6.678 -9.411 2.850 1.00 0.00 O ATOM 748 CB SER A 57 5.710 -9.522 0.116 1.00 0.00 C ATOM 749 OG SER A 57 6.545 -8.776 -0.741 1.00 0.00 O ATOM 0 H SER A 57 5.142 -7.026 -0.192 1.00 0.00 H new ATOM 0 HA SER A 57 4.237 -8.988 1.700 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.279 -10.326 0.584 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.910 -9.990 -0.457 1.00 0.00 H new ATOM 0 HG SER A 57 5.998 -8.317 -1.412 1.00 0.00 H new ATOM 755 N GLY A 58 6.710 -7.238 2.454 1.00 0.00 N ATOM 756 CA GLY A 58 7.876 -6.897 3.253 1.00 0.00 C ATOM 757 C GLY A 58 9.221 -6.985 2.539 1.00 0.00 C ATOM 758 O GLY A 58 10.224 -6.815 3.225 1.00 0.00 O ATOM 0 H GLY A 58 6.234 -6.407 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.751 -5.881 3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.903 -7.556 4.121 1.00 0.00 H new ATOM 762 N LYS A 59 9.255 -7.223 1.229 1.00 0.00 N ATOM 763 CA LYS A 59 10.498 -7.554 0.555 1.00 0.00 C ATOM 764 C LYS A 59 11.187 -6.360 -0.111 1.00 0.00 C ATOM 765 O LYS A 59 12.257 -6.491 -0.678 1.00 0.00 O ATOM 766 CB LYS A 59 10.103 -8.604 -0.479 1.00 0.00 C ATOM 767 CG LYS A 59 9.948 -10.002 0.115 1.00 0.00 C ATOM 768 CD LYS A 59 9.365 -10.932 -0.939 1.00 0.00 C ATOM 769 CE LYS A 59 8.505 -12.117 -0.489 1.00 0.00 C ATOM 770 NZ LYS A 59 9.327 -13.061 0.273 1.00 0.00 N ATOM 0 H LYS A 59 8.437 -7.192 0.620 1.00 0.00 H new ATOM 0 HA LYS A 59 11.236 -7.909 1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.164 -8.309 -0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.857 -8.632 -1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.915 -10.376 0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.297 -9.969 0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.762 -10.326 -1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.195 -11.330 -1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.675 -11.765 0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.072 -12.615 -1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.741 -13.864 0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.104 -13.406 -0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.720 -12.583 1.109 1.00 0.00 H new ATOM 784 N LEU A 60 10.595 -5.170 -0.072 1.00 0.00 N ATOM 785 CA LEU A 60 11.043 -3.952 -0.743 1.00 0.00 C ATOM 786 C LEU A 60 10.686 -2.787 0.175 1.00 0.00 C ATOM 787 O LEU A 60 9.525 -2.543 0.474 1.00 0.00 O ATOM 788 CB LEU A 60 10.320 -3.686 -2.053 1.00 0.00 C ATOM 789 CG LEU A 60 10.904 -2.415 -2.659 1.00 0.00 C ATOM 790 CD1 LEU A 60 12.320 -2.546 -3.191 1.00 0.00 C ATOM 791 CD2 LEU A 60 10.094 -2.175 -3.937 1.00 0.00 C ATOM 0 H LEU A 60 9.738 -5.020 0.461 1.00 0.00 H new ATOM 0 HA LEU A 60 12.107 -4.062 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.445 -4.527 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.250 -3.571 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 60 10.883 -1.656 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.645 -1.590 -3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.988 -2.839 -2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.346 -3.304 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.455 -1.274 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.208 -3.028 -4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.041 -2.052 -3.683 1.00 0.00 H new ATOM 803 N LYS A 61 11.666 -1.906 0.433 1.00 0.00 N ATOM 804 CA LYS A 61 11.387 -0.610 1.034 1.00 0.00 C ATOM 805 C LYS A 61 10.920 0.380 -0.017 1.00 0.00 C ATOM 806 O LYS A 61 11.678 0.522 -0.963 1.00 0.00 O ATOM 807 CB LYS A 61 12.664 -0.168 1.765 1.00 0.00 C ATOM 808 CG LYS A 61 12.684 1.252 2.326 1.00 0.00 C ATOM 809 CD LYS A 61 13.643 1.330 3.500 1.00 0.00 C ATOM 810 CE LYS A 61 13.919 2.768 3.952 1.00 0.00 C ATOM 811 NZ LYS A 61 14.796 2.748 5.132 1.00 0.00 N ATOM 0 H LYS A 61 12.652 -2.075 0.233 1.00 0.00 H new ATOM 0 HA LYS A 61 10.570 -0.667 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.840 -0.860 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.502 -0.272 1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.987 1.955 1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.682 1.541 2.644 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.232 0.765 4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.584 0.854 3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.389 3.331 3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.982 3.273 4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.985 3.723 5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.331 2.225 5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.693 2.282 4.890 1.00 0.00 H new ATOM 825 N PRO A 62 9.788 1.075 0.102 1.00 0.00 N ATOM 826 CA PRO A 62 9.289 2.014 -0.891 1.00 0.00 C ATOM 827 C PRO A 62 10.015 3.325 -0.644 1.00 0.00 C ATOM 828 O PRO A 62 10.838 3.415 0.267 1.00 0.00 O ATOM 829 CB PRO A 62 7.785 2.098 -0.653 1.00 0.00 C ATOM 830 CG PRO A 62 7.683 1.782 0.830 1.00 0.00 C ATOM 831 CD PRO A 62 8.845 0.848 1.186 1.00 0.00 C ATOM 0 HA PRO A 62 9.460 1.731 -1.930 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.389 3.086 -0.888 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.235 1.381 -1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.732 2.697 1.421 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.728 1.308 1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.278 1.093 2.156 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.527 -0.193 1.233 1.00 0.00 H new ATOM 839 N THR A 63 9.761 4.359 -1.462 1.00 0.00 N ATOM 840 CA THR A 63 10.712 5.445 -1.556 1.00 0.00 C ATOM 841 C THR A 63 10.384 6.640 -0.672 1.00 0.00 C ATOM 842 O THR A 63 9.288 6.718 -0.130 1.00 0.00 O ATOM 843 CB THR A 63 10.847 5.747 -3.049 1.00 0.00 C ATOM 844 OG1 THR A 63 9.670 6.287 -3.598 1.00 0.00 O ATOM 845 CG2 THR A 63 11.406 4.610 -3.898 1.00 0.00 C ATOM 0 H THR A 63 8.929 4.454 -2.045 1.00 0.00 H new ATOM 0 HA THR A 63 11.681 5.159 -1.148 1.00 0.00 H new ATOM 0 HB THR A 63 11.617 6.518 -3.089 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.806 6.465 -4.552 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.461 4.927 -4.940 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.404 4.349 -3.545 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.753 3.741 -3.817 1.00 0.00 H new ATOM 853 N ILE A 64 11.339 7.579 -0.506 1.00 0.00 N ATOM 854 CA ILE A 64 11.136 8.845 0.157 1.00 0.00 C ATOM 855 C ILE A 64 9.938 9.637 -0.355 1.00 0.00 C ATOM 856 O ILE A 64 9.118 10.071 0.453 1.00 0.00 O ATOM 857 CB ILE A 64 12.473 9.567 0.285 1.00 0.00 C ATOM 858 CG1 ILE A 64 12.423 10.578 1.423 1.00 0.00 C ATOM 859 CG2 ILE A 64 12.876 10.209 -1.035 1.00 0.00 C ATOM 860 CD1 ILE A 64 13.504 11.633 1.476 1.00 0.00 C ATOM 0 H ILE A 64 12.293 7.455 -0.846 1.00 0.00 H new ATOM 0 HA ILE A 64 10.802 8.678 1.181 1.00 0.00 H new ATOM 0 HB ILE A 64 13.244 8.836 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 64 11.460 11.087 1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 64 12.447 10.026 2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 64 13.833 10.717 -0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 64 12.967 9.439 -1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 64 12.117 10.931 -1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 64 13.339 12.280 2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 64 14.478 11.152 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 64 13.476 12.229 0.564 1.00 0.00 H new ATOM 872 N SER A 65 9.765 9.837 -1.659 1.00 0.00 N ATOM 873 CA SER A 65 8.491 10.239 -2.215 1.00 0.00 C ATOM 874 C SER A 65 7.360 9.289 -1.827 1.00 0.00 C ATOM 875 O SER A 65 6.316 9.731 -1.367 1.00 0.00 O ATOM 876 CB SER A 65 8.642 10.605 -3.693 1.00 0.00 C ATOM 877 OG SER A 65 9.025 9.479 -4.454 1.00 0.00 O ATOM 0 H SER A 65 10.505 9.724 -2.351 1.00 0.00 H new ATOM 0 HA SER A 65 8.156 11.168 -1.754 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.700 11.002 -4.072 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.387 11.393 -3.802 1.00 0.00 H new ATOM 0 HG SER A 65 9.114 9.736 -5.396 1.00 0.00 H new ATOM 883 N GLN A 66 7.513 7.993 -2.112 1.00 0.00 N ATOM 884 CA GLN A 66 6.362 7.106 -2.104 1.00 0.00 C ATOM 885 C GLN A 66 5.837 6.838 -0.708 1.00 0.00 C ATOM 886 O GLN A 66 4.611 6.925 -0.663 1.00 0.00 O ATOM 887 CB GLN A 66 6.734 5.847 -2.881 1.00 0.00 C ATOM 888 CG GLN A 66 5.663 4.752 -2.848 1.00 0.00 C ATOM 889 CD GLN A 66 6.295 3.700 -3.748 1.00 0.00 C ATOM 890 OE1 GLN A 66 7.408 3.252 -3.434 1.00 0.00 O ATOM 891 NE2 GLN A 66 5.710 3.130 -4.795 1.00 0.00 N ATOM 0 H GLN A 66 8.401 7.549 -2.345 1.00 0.00 H new ATOM 0 HA GLN A 66 5.519 7.585 -2.601 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.929 6.118 -3.919 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.663 5.444 -2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.486 4.379 -1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.704 5.101 -3.232 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.793 3.452 -5.105 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.177 2.370 -5.289 1.00 0.00 H new ATOM 900 N ALA A 67 6.588 6.729 0.391 1.00 0.00 N ATOM 901 CA ALA A 67 6.141 6.684 1.764 1.00 0.00 C ATOM 902 C ALA A 67 5.426 7.982 2.097 1.00 0.00 C ATOM 903 O ALA A 67 4.373 7.927 2.731 1.00 0.00 O ATOM 904 CB ALA A 67 7.382 6.494 2.636 1.00 0.00 C ATOM 0 H ALA A 67 7.604 6.666 0.326 1.00 0.00 H new ATOM 0 HA ALA A 67 5.442 5.866 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.087 6.455 3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.879 5.563 2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.066 7.329 2.482 1.00 0.00 H new ATOM 910 N ARG A 68 5.862 9.180 1.740 1.00 0.00 N ATOM 911 CA ARG A 68 5.164 10.442 1.941 1.00 0.00 C ATOM 912 C ARG A 68 3.870 10.342 1.145 1.00 0.00 C ATOM 913 O ARG A 68 2.907 10.972 1.553 1.00 0.00 O ATOM 914 CB ARG A 68 6.096 11.556 1.495 1.00 0.00 C ATOM 915 CG ARG A 68 5.692 13.010 1.786 1.00 0.00 C ATOM 916 CD ARG A 68 5.361 13.349 3.246 1.00 0.00 C ATOM 917 NE ARG A 68 4.901 14.721 3.477 1.00 0.00 N ATOM 918 CZ ARG A 68 5.443 15.725 4.186 1.00 0.00 C ATOM 919 NH1 ARG A 68 6.387 15.452 5.085 1.00 0.00 N ATOM 920 NH2 ARG A 68 5.082 17.011 4.129 1.00 0.00 N ATOM 0 H ARG A 68 6.762 9.306 1.277 1.00 0.00 H new ATOM 0 HA ARG A 68 4.901 10.658 2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.067 11.382 1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.236 11.460 0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.503 13.661 1.460 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.823 13.252 1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.592 12.661 3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.248 13.173 3.854 1.00 0.00 H new ATOM 0 HE ARG A 68 4.018 14.953 3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.691 14.489 5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.806 16.206 5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.331 17.303 3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.558 17.701 4.711 1.00 0.00 H new ATOM 934 N GLN A 69 3.758 9.832 -0.083 1.00 0.00 N ATOM 935 CA GLN A 69 2.465 9.701 -0.733 1.00 0.00 C ATOM 936 C GLN A 69 1.571 8.605 -0.185 1.00 0.00 C ATOM 937 O GLN A 69 0.357 8.728 -0.245 1.00 0.00 O ATOM 938 CB GLN A 69 2.784 9.470 -2.207 1.00 0.00 C ATOM 939 CG GLN A 69 2.996 10.799 -2.916 1.00 0.00 C ATOM 940 CD GLN A 69 4.016 10.660 -4.037 1.00 0.00 C ATOM 941 OE1 GLN A 69 5.265 10.334 -3.715 1.00 0.00 O flip ATOM 942 NE2 GLN A 69 3.863 10.810 -5.246 1.00 0.00 N flip ATOM 0 H GLN A 69 4.547 9.506 -0.641 1.00 0.00 H new ATOM 0 HA GLN A 69 1.879 10.602 -0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.678 8.854 -2.300 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.969 8.923 -2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.049 11.154 -3.323 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.336 11.547 -2.200 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.947 11.062 -5.617 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.652 10.683 -5.880 1.00 0.00 H new ATOM 951 N LEU A 70 2.122 7.503 0.337 1.00 0.00 N ATOM 952 CA LEU A 70 1.512 6.250 0.736 1.00 0.00 C ATOM 953 C LEU A 70 0.384 6.518 1.710 1.00 0.00 C ATOM 954 O LEU A 70 -0.796 6.267 1.412 1.00 0.00 O ATOM 955 CB LEU A 70 2.505 5.184 1.185 1.00 0.00 C ATOM 956 CG LEU A 70 2.794 4.171 0.087 1.00 0.00 C ATOM 957 CD1 LEU A 70 3.912 3.268 0.611 1.00 0.00 C ATOM 958 CD2 LEU A 70 1.574 3.369 -0.322 1.00 0.00 C ATOM 0 H LEU A 70 3.128 7.476 0.506 1.00 0.00 H new ATOM 0 HA LEU A 70 1.074 5.792 -0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.436 5.662 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.110 4.667 2.060 1.00 0.00 H new ATOM 0 HG LEU A 70 3.096 4.690 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.159 2.520 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.795 3.870 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.581 2.770 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.848 2.665 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.194 2.820 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.802 4.044 -0.692 1.00 0.00 H new ATOM 970 N GLU A 71 0.801 6.813 2.938 1.00 0.00 N ATOM 971 CA GLU A 71 0.019 7.073 4.129 1.00 0.00 C ATOM 972 C GLU A 71 -1.082 8.072 3.790 1.00 0.00 C ATOM 973 O GLU A 71 -2.073 8.199 4.515 1.00 0.00 O ATOM 974 CB GLU A 71 0.943 7.400 5.300 1.00 0.00 C ATOM 975 CG GLU A 71 1.687 8.726 5.128 1.00 0.00 C ATOM 976 CD GLU A 71 2.355 9.064 6.458 1.00 0.00 C ATOM 977 OE1 GLU A 71 3.490 8.632 6.762 1.00 0.00 O ATOM 978 OE2 GLU A 71 1.773 9.932 7.155 1.00 0.00 O ATOM 0 H GLU A 71 1.799 6.881 3.137 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.520 6.194 4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.357 7.436 6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.669 6.596 5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.432 8.646 4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.996 9.517 4.836 1.00 0.00 H new ATOM 985 N LYS A 72 -0.811 8.883 2.782 1.00 0.00 N ATOM 986 CA LYS A 72 -1.539 10.086 2.430 1.00 0.00 C ATOM 987 C LYS A 72 -2.698 9.780 1.489 1.00 0.00 C ATOM 988 O LYS A 72 -3.750 10.337 1.799 1.00 0.00 O ATOM 989 CB LYS A 72 -0.550 11.143 1.934 1.00 0.00 C ATOM 990 CG LYS A 72 -1.264 12.446 1.594 1.00 0.00 C ATOM 991 CD LYS A 72 -0.232 13.525 1.261 1.00 0.00 C ATOM 992 CE LYS A 72 0.419 14.271 2.421 1.00 0.00 C ATOM 993 NZ LYS A 72 -0.296 15.410 3.006 1.00 0.00 N ATOM 0 H LYS A 72 -0.029 8.707 2.151 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.026 10.513 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.204 11.327 2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.027 10.771 1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.934 12.295 0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.880 12.765 2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.561 13.060 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.714 14.261 0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.604 13.550 3.218 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.392 14.628 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.268 15.813 3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.450 16.135 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.214 15.091 3.376 1.00 0.00 H new ATOM 1007 N ILE A 73 -2.485 8.889 0.529 1.00 0.00 N ATOM 1008 CA ILE A 73 -3.547 8.409 -0.352 1.00 0.00 C ATOM 1009 C ILE A 73 -4.517 7.557 0.458 1.00 0.00 C ATOM 1010 O ILE A 73 -5.736 7.630 0.299 1.00 0.00 O ATOM 1011 CB ILE A 73 -2.953 7.776 -1.608 1.00 0.00 C ATOM 1012 CG1 ILE A 73 -2.185 6.472 -1.406 1.00 0.00 C ATOM 1013 CG2 ILE A 73 -2.279 8.816 -2.490 1.00 0.00 C ATOM 1014 CD1 ILE A 73 -2.016 5.530 -2.580 1.00 0.00 C ATOM 0 H ILE A 73 -1.572 8.477 0.338 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.153 9.225 -0.746 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.803 7.403 -2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.189 6.729 -1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.681 5.918 -0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.867 8.331 -3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.011 9.565 -2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.475 9.299 -1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.448 4.655 -2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.996 5.217 -2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.482 6.040 -3.382 1.00 0.00 H new ATOM 1026 N LEU A 74 -4.008 6.731 1.362 1.00 0.00 N ATOM 1027 CA LEU A 74 -4.836 5.779 2.075 1.00 0.00 C ATOM 1028 C LEU A 74 -5.773 6.493 3.026 1.00 0.00 C ATOM 1029 O LEU A 74 -6.958 6.151 3.109 1.00 0.00 O ATOM 1030 CB LEU A 74 -3.974 4.753 2.792 1.00 0.00 C ATOM 1031 CG LEU A 74 -3.404 3.864 1.694 1.00 0.00 C ATOM 1032 CD1 LEU A 74 -2.425 2.874 2.333 1.00 0.00 C ATOM 1033 CD2 LEU A 74 -4.374 3.013 0.871 1.00 0.00 C ATOM 0 H LEU A 74 -3.021 6.704 1.617 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.452 5.241 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.178 5.236 3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.563 4.172 3.501 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.975 4.583 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.006 2.228 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.621 3.423 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.951 2.266 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.816 2.438 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.911 2.332 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.087 3.663 0.363 1.00 0.00 H new ATOM 1045 N GLY A 75 -5.354 7.682 3.452 1.00 0.00 N ATOM 1046 CA GLY A 75 -5.989 8.486 4.486 1.00 0.00 C ATOM 1047 C GLY A 75 -6.005 7.792 5.847 1.00 0.00 C ATOM 1048 O GLY A 75 -6.367 8.502 6.775 1.00 0.00 O ATOM 0 H GLY A 75 -4.523 8.130 3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.464 9.437 4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.012 8.713 4.187 1.00 0.00 H new ATOM 1052 N ILE A 76 -5.827 6.467 5.927 1.00 0.00 N ATOM 1053 CA ILE A 76 -6.113 5.688 7.111 1.00 0.00 C ATOM 1054 C ILE A 76 -4.872 5.050 7.729 1.00 0.00 C ATOM 1055 O ILE A 76 -3.789 5.135 7.155 1.00 0.00 O ATOM 1056 CB ILE A 76 -6.952 4.494 6.710 1.00 0.00 C ATOM 1057 CG1 ILE A 76 -6.349 3.540 5.669 1.00 0.00 C ATOM 1058 CG2 ILE A 76 -8.326 4.956 6.195 1.00 0.00 C ATOM 1059 CD1 ILE A 76 -7.093 2.207 5.673 1.00 0.00 C ATOM 0 H ILE A 76 -5.473 5.908 5.150 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.584 6.377 7.812 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.019 3.917 7.632 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.404 3.991 4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.294 3.375 5.886 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.919 4.087 5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.843 5.506 6.981 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.191 5.603 5.328 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.653 1.542 4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.015 1.750 6.659 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.143 2.376 5.433 1.00 0.00 H new ATOM 1071 N LYS A 77 -4.910 4.559 8.972 1.00 0.00 N ATOM 1072 CA LYS A 77 -3.938 3.867 9.804 1.00 0.00 C ATOM 1073 C LYS A 77 -4.554 3.442 11.126 1.00 0.00 C ATOM 1074 O LYS A 77 -5.584 4.024 11.468 1.00 0.00 O ATOM 1075 CB LYS A 77 -2.736 4.758 10.081 1.00 0.00 C ATOM 1076 CG LYS A 77 -2.968 6.229 10.391 1.00 0.00 C ATOM 1077 CD LYS A 77 -1.731 6.987 10.874 1.00 0.00 C ATOM 1078 CE LYS A 77 -2.013 8.484 11.045 1.00 0.00 C ATOM 1079 NZ LYS A 77 -2.357 9.163 9.790 1.00 0.00 N ATOM 0 H LYS A 77 -5.778 4.662 9.498 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.616 2.980 9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.192 4.326 10.921 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.078 4.704 9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.350 6.719 9.495 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.744 6.307 11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.396 6.569 11.823 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.918 6.849 10.161 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.831 8.613 11.754 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.136 8.963 11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.319 10.193 9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.679 8.889 9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.317 8.889 9.499 1.00 0.00 H new ATOM 1093 N LEU A 78 -3.931 2.630 11.976 1.00 0.00 N ATOM 1094 CA LEU A 78 -4.094 2.526 13.416 1.00 0.00 C ATOM 1095 C LEU A 78 -2.745 2.409 14.099 1.00 0.00 C ATOM 1096 O LEU A 78 -1.774 1.826 13.613 1.00 0.00 O ATOM 1097 CB LEU A 78 -5.061 1.419 13.856 1.00 0.00 C ATOM 1098 CG LEU A 78 -6.512 1.786 13.631 1.00 0.00 C ATOM 1099 CD1 LEU A 78 -7.475 0.620 13.912 1.00 0.00 C ATOM 1100 CD2 LEU A 78 -6.891 2.868 14.638 1.00 0.00 C ATOM 0 H LEU A 78 -3.234 1.967 11.637 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.568 3.453 13.740 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.833 0.505 13.308 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.905 1.205 14.913 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.601 2.092 12.589 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.500 0.944 13.733 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.238 -0.215 13.252 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.370 0.303 14.950 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.934 3.149 14.495 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.753 2.487 15.650 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.256 3.742 14.490 1.00 0.00 H new