USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 702 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -110:sc= -0.546 USER MOD Single : A 17 GLN : amide:sc= -1.1 K(o=-1.1,f=-5.4!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -130:sc= 1.15 (180deg=0.535) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 51:sc= 1.28 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 51:sc= 0.185 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -20:sc= 1.2 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 THR OG1 : rot 180:sc= 0 USER MOD Single : B 213 SER OG : rot 39:sc= 0.2 USER MOD Single : B 215 THR OG1 : rot 38:sc= 0.0222 USER MOD Single : B 216 THR OG1 : rot 180:sc= 0 USER MOD Single : B 217 GLN : amide:sc= -0.0453 K(o=-0.045,f=-5.3!) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 LYS NZ :NH3+ -159:sc= 1.13 (180deg=1.04) USER MOD Single : B 226 THR OG1 : rot 180:sc= 0 USER MOD Single : B 227 TYR OH : rot 54:sc= 0.74 USER MOD Single : B 228 THR OG1 : rot 180:sc= 0 USER MOD Single : B 230 THR OG1 : rot 45:sc= 0.318 USER MOD Single : B 233 SER OG : rot 180:sc= 0 USER MOD Single : B 241 THR OG1 : rot -52:sc= 1.24 USER MOD Single : B 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 10 -9.209 -10.563 -4.036 1.00 20.43 N ATOM 138 CA THR A 10 -7.872 -10.507 -3.620 1.00 53.31 C ATOM 139 C THR A 10 -7.095 -9.611 -4.576 1.00 50.02 C ATOM 140 O THR A 10 -7.082 -9.822 -5.801 1.00 12.12 O ATOM 141 CB THR A 10 -7.228 -11.937 -3.502 1.00 14.55 C ATOM 142 OG1 THR A 10 -5.858 -11.852 -3.072 1.00 44.33 O ATOM 143 CG2 THR A 10 -7.310 -12.720 -4.813 1.00 11.02 C ATOM 0 HA THR A 10 -7.831 -10.081 -2.618 1.00 53.31 H new ATOM 0 HB THR A 10 -7.807 -12.477 -2.753 1.00 14.55 H new ATOM 0 HG1 THR A 10 -5.480 -12.754 -3.004 1.00 44.33 H new ATOM 0 HG21 THR A 10 -6.852 -13.700 -4.681 1.00 11.02 H new ATOM 0 HG22 THR A 10 -8.355 -12.843 -5.099 1.00 11.02 H new ATOM 0 HG23 THR A 10 -6.782 -12.176 -5.596 1.00 11.02 H new ATOM 151 N CYS A 11 -6.493 -8.611 -4.034 1.00 74.14 N ATOM 152 CA CYS A 11 -5.703 -7.710 -4.792 1.00 15.23 C ATOM 153 C CYS A 11 -4.326 -7.798 -4.202 1.00 71.23 C ATOM 154 O CYS A 11 -4.184 -7.982 -2.982 1.00 51.12 O ATOM 155 CB CYS A 11 -6.235 -6.278 -4.629 1.00 74.51 C ATOM 156 SG CYS A 11 -8.049 -6.061 -4.925 1.00 21.22 S ATOM 0 H CYS A 11 -6.537 -8.394 -3.038 1.00 74.14 H new ATOM 0 HA CYS A 11 -5.718 -7.955 -5.854 1.00 15.23 H new ATOM 0 HB2 CYS A 11 -6.006 -5.937 -3.619 1.00 74.51 H new ATOM 0 HB3 CYS A 11 -5.693 -5.628 -5.315 1.00 74.51 H new ATOM 161 N VAL A 12 -3.318 -7.694 -5.009 1.00 22.21 N ATOM 162 CA VAL A 12 -1.988 -7.854 -4.504 1.00 10.52 C ATOM 163 C VAL A 12 -1.187 -6.593 -4.672 1.00 13.32 C ATOM 164 O VAL A 12 -1.449 -5.791 -5.572 1.00 22.14 O ATOM 165 CB VAL A 12 -1.244 -9.077 -5.119 1.00 65.20 C ATOM 166 CG1 VAL A 12 -1.963 -10.379 -4.788 1.00 34.15 C ATOM 167 CG2 VAL A 12 -1.065 -8.935 -6.623 1.00 64.13 C ATOM 0 H VAL A 12 -3.386 -7.501 -6.008 1.00 22.21 H new ATOM 0 HA VAL A 12 -2.089 -8.059 -3.438 1.00 10.52 H new ATOM 0 HB VAL A 12 -0.251 -9.105 -4.669 1.00 65.20 H new ATOM 0 HG11 VAL A 12 -1.422 -11.216 -5.230 1.00 34.15 H new ATOM 0 HG12 VAL A 12 -2.007 -10.506 -3.706 1.00 34.15 H new ATOM 0 HG13 VAL A 12 -2.975 -10.348 -5.191 1.00 34.15 H new ATOM 0 HG21 VAL A 12 -0.542 -9.809 -7.011 1.00 64.13 H new ATOM 0 HG22 VAL A 12 -2.042 -8.855 -7.100 1.00 64.13 H new ATOM 0 HG23 VAL A 12 -0.483 -8.039 -6.837 1.00 64.13 H new ATOM 177 N SER A 13 -0.236 -6.414 -3.815 1.00 61.22 N ATOM 178 CA SER A 13 0.593 -5.267 -3.836 1.00 11.41 C ATOM 179 C SER A 13 2.049 -5.666 -3.957 1.00 44.20 C ATOM 180 O SER A 13 2.543 -6.543 -3.234 1.00 41.01 O ATOM 181 CB SER A 13 0.313 -4.386 -2.606 1.00 64.20 C ATOM 182 OG SER A 13 0.338 -5.151 -1.398 1.00 44.01 O ATOM 0 H SER A 13 -0.014 -7.075 -3.071 1.00 61.22 H new ATOM 0 HA SER A 13 0.361 -4.667 -4.716 1.00 11.41 H new ATOM 0 HB2 SER A 13 1.056 -3.591 -2.550 1.00 64.20 H new ATOM 0 HB3 SER A 13 -0.660 -3.906 -2.714 1.00 64.20 H new ATOM 0 HG SER A 13 0.158 -4.563 -0.635 1.00 44.01 H new ATOM 188 N LEU A 14 2.710 -5.048 -4.879 1.00 34.10 N ATOM 189 CA LEU A 14 4.081 -5.297 -5.179 1.00 10.23 C ATOM 190 C LEU A 14 4.863 -4.064 -4.821 1.00 41.41 C ATOM 191 O LEU A 14 4.497 -2.979 -5.229 1.00 15.24 O ATOM 192 CB LEU A 14 4.202 -5.557 -6.678 1.00 70.53 C ATOM 193 CG LEU A 14 3.464 -6.770 -7.226 1.00 34.32 C ATOM 194 CD1 LEU A 14 3.602 -6.853 -8.730 1.00 65.52 C ATOM 195 CD2 LEU A 14 4.023 -8.010 -6.623 1.00 12.14 C ATOM 0 H LEU A 14 2.293 -4.327 -5.468 1.00 34.10 H new ATOM 0 HA LEU A 14 4.458 -6.156 -4.623 1.00 10.23 H new ATOM 0 HB2 LEU A 14 3.843 -4.674 -7.206 1.00 70.53 H new ATOM 0 HB3 LEU A 14 5.259 -5.665 -6.920 1.00 70.53 H new ATOM 0 HG LEU A 14 2.409 -6.669 -6.972 1.00 34.32 H new ATOM 0 HD11 LEU A 14 3.066 -7.728 -9.097 1.00 65.52 H new ATOM 0 HD12 LEU A 14 3.184 -5.955 -9.184 1.00 65.52 H new ATOM 0 HD13 LEU A 14 4.656 -6.936 -8.995 1.00 65.52 H new ATOM 0 HD21 LEU A 14 3.493 -8.877 -7.017 1.00 12.14 H new ATOM 0 HD22 LEU A 14 5.082 -8.089 -6.870 1.00 12.14 H new ATOM 0 HD23 LEU A 14 3.904 -7.973 -5.540 1.00 12.14 H new ATOM 207 N THR A 15 5.919 -4.210 -4.074 1.00 73.02 N ATOM 208 CA THR A 15 6.653 -3.059 -3.629 1.00 70.53 C ATOM 209 C THR A 15 7.816 -2.734 -4.555 1.00 30.44 C ATOM 210 O THR A 15 8.487 -3.624 -5.063 1.00 3.31 O ATOM 211 CB THR A 15 7.128 -3.216 -2.170 1.00 1.45 C ATOM 212 OG1 THR A 15 7.904 -4.423 -2.024 1.00 12.32 O ATOM 213 CG2 THR A 15 5.939 -3.255 -1.220 1.00 2.01 C ATOM 0 H THR A 15 6.290 -5.107 -3.762 1.00 73.02 H new ATOM 0 HA THR A 15 5.966 -2.214 -3.663 1.00 70.53 H new ATOM 0 HB THR A 15 7.750 -2.357 -1.921 1.00 1.45 H new ATOM 0 HG1 THR A 15 8.201 -4.510 -1.094 1.00 12.32 H new ATOM 0 HG21 THR A 15 6.295 -3.366 -0.196 1.00 2.01 H new ATOM 0 HG22 THR A 15 5.372 -2.328 -1.308 1.00 2.01 H new ATOM 0 HG23 THR A 15 5.297 -4.099 -1.475 1.00 2.01 H new ATOM 221 N THR A 16 8.030 -1.468 -4.767 1.00 32.52 N ATOM 222 CA THR A 16 9.058 -0.973 -5.649 1.00 42.24 C ATOM 223 C THR A 16 9.890 0.032 -4.868 1.00 43.42 C ATOM 224 O THR A 16 9.492 0.407 -3.745 1.00 20.51 O ATOM 225 CB THR A 16 8.443 -0.296 -6.930 1.00 24.41 C ATOM 226 OG1 THR A 16 9.478 0.068 -7.852 1.00 4.01 O ATOM 227 CG2 THR A 16 7.658 0.963 -6.572 1.00 72.01 C ATOM 0 H THR A 16 7.484 -0.730 -4.323 1.00 32.52 H new ATOM 0 HA THR A 16 9.675 -1.802 -5.994 1.00 42.24 H new ATOM 0 HB THR A 16 7.771 -1.024 -7.385 1.00 24.41 H new ATOM 0 HG1 THR A 16 9.561 1.044 -7.882 1.00 4.01 H new ATOM 0 HG21 THR A 16 7.247 1.406 -7.479 1.00 72.01 H new ATOM 0 HG22 THR A 16 6.845 0.704 -5.894 1.00 72.01 H new ATOM 0 HG23 THR A 16 8.321 1.680 -6.087 1.00 72.01 H new ATOM 235 N GLN A 17 11.067 0.399 -5.398 1.00 22.54 N ATOM 236 CA GLN A 17 11.902 1.445 -4.792 1.00 14.30 C ATOM 237 C GLN A 17 11.035 2.647 -4.456 1.00 13.33 C ATOM 238 O GLN A 17 10.232 3.095 -5.282 1.00 21.04 O ATOM 239 CB GLN A 17 13.037 1.864 -5.738 1.00 41.02 C ATOM 240 CG GLN A 17 14.097 0.796 -5.976 1.00 71.35 C ATOM 241 CD GLN A 17 14.949 0.502 -4.749 1.00 51.44 C ATOM 242 OE1 GLN A 17 14.509 0.634 -3.610 1.00 71.33 O ATOM 243 NE2 GLN A 17 16.157 0.071 -4.973 1.00 5.22 N ATOM 0 H GLN A 17 11.461 -0.013 -6.244 1.00 22.54 H new ATOM 0 HA GLN A 17 12.353 1.048 -3.882 1.00 14.30 H new ATOM 0 HB2 GLN A 17 12.605 2.148 -6.698 1.00 41.02 H new ATOM 0 HB3 GLN A 17 13.521 2.752 -5.331 1.00 41.02 H new ATOM 0 HG2 GLN A 17 13.609 -0.124 -6.298 1.00 71.35 H new ATOM 0 HG3 GLN A 17 14.746 1.115 -6.791 1.00 71.35 H new ATOM 0 HE21 GLN A 17 16.494 -0.028 -5.931 1.00 5.22 H new ATOM 0 HE22 GLN A 17 16.767 -0.168 -4.191 1.00 5.22 H new ATOM 252 N ARG A 18 11.173 3.133 -3.254 1.00 53.25 N ATOM 253 CA ARG A 18 10.329 4.194 -2.769 1.00 10.00 C ATOM 254 C ARG A 18 10.616 5.555 -3.409 1.00 55.53 C ATOM 255 O ARG A 18 11.588 6.252 -3.073 1.00 50.03 O ATOM 256 CB ARG A 18 10.327 4.267 -1.229 1.00 60.13 C ATOM 257 CG ARG A 18 11.694 4.472 -0.605 1.00 11.02 C ATOM 258 CD ARG A 18 11.612 4.586 0.899 1.00 35.13 C ATOM 259 NE ARG A 18 12.936 4.814 1.484 1.00 24.01 N ATOM 260 CZ ARG A 18 13.176 5.104 2.765 1.00 33.23 C ATOM 261 NH1 ARG A 18 12.178 5.198 3.640 1.00 0.33 N ATOM 262 NH2 ARG A 18 14.421 5.289 3.166 1.00 63.34 N ATOM 0 H ARG A 18 11.870 2.808 -2.584 1.00 53.25 H new ATOM 0 HA ARG A 18 9.320 3.933 -3.088 1.00 10.00 H new ATOM 0 HB2 ARG A 18 9.674 5.082 -0.918 1.00 60.13 H new ATOM 0 HB3 ARG A 18 9.897 3.346 -0.835 1.00 60.13 H new ATOM 0 HG2 ARG A 18 12.344 3.639 -0.872 1.00 11.02 H new ATOM 0 HG3 ARG A 18 12.149 5.374 -1.014 1.00 11.02 H new ATOM 0 HD2 ARG A 18 10.946 5.405 1.169 1.00 35.13 H new ATOM 0 HD3 ARG A 18 11.180 3.675 1.313 1.00 35.13 H new ATOM 0 HE ARG A 18 13.741 4.746 0.861 1.00 24.01 H new ATOM 0 HH11 ARG A 18 11.216 5.048 3.335 1.00 0.33 H new ATOM 0 HH12 ARG A 18 12.375 5.420 4.616 1.00 0.33 H new ATOM 0 HH21 ARG A 18 15.189 5.210 2.499 1.00 63.34 H new ATOM 0 HH22 ARG A 18 14.615 5.511 4.143 1.00 63.34 H new ATOM 276 N LEU A 19 9.808 5.889 -4.361 1.00 23.12 N ATOM 277 CA LEU A 19 9.795 7.191 -4.955 1.00 22.31 C ATOM 278 C LEU A 19 8.426 7.759 -4.724 1.00 20.02 C ATOM 279 O LEU A 19 7.434 7.054 -4.918 1.00 22.41 O ATOM 280 CB LEU A 19 10.113 7.198 -6.478 1.00 32.35 C ATOM 281 CG LEU A 19 11.549 6.859 -6.936 1.00 65.40 C ATOM 282 CD1 LEU A 19 11.910 5.405 -6.717 1.00 13.14 C ATOM 283 CD2 LEU A 19 11.749 7.252 -8.386 1.00 43.11 C ATOM 0 H LEU A 19 9.120 5.250 -4.759 1.00 23.12 H new ATOM 0 HA LEU A 19 10.584 7.785 -4.493 1.00 22.31 H new ATOM 0 HB2 LEU A 19 9.437 6.492 -6.960 1.00 32.35 H new ATOM 0 HB3 LEU A 19 9.868 8.188 -6.863 1.00 32.35 H new ATOM 0 HG LEU A 19 12.226 7.442 -6.312 1.00 65.40 H new ATOM 0 HD11 LEU A 19 12.930 5.228 -7.058 1.00 13.14 H new ATOM 0 HD12 LEU A 19 11.836 5.168 -5.656 1.00 13.14 H new ATOM 0 HD13 LEU A 19 11.224 4.771 -7.279 1.00 13.14 H new ATOM 0 HD21 LEU A 19 12.766 7.006 -8.693 1.00 43.11 H new ATOM 0 HD22 LEU A 19 11.040 6.709 -9.011 1.00 43.11 H new ATOM 0 HD23 LEU A 19 11.585 8.324 -8.498 1.00 43.11 H new ATOM 295 N PRO A 20 8.329 9.006 -4.269 1.00 70.45 N ATOM 296 CA PRO A 20 7.045 9.626 -4.015 1.00 24.44 C ATOM 297 C PRO A 20 6.234 9.771 -5.297 1.00 54.41 C ATOM 298 O PRO A 20 6.779 10.085 -6.372 1.00 20.34 O ATOM 299 CB PRO A 20 7.406 11.002 -3.446 1.00 74.15 C ATOM 300 CG PRO A 20 8.803 11.248 -3.896 1.00 73.12 C ATOM 301 CD PRO A 20 9.454 9.904 -3.972 1.00 65.52 C ATOM 0 HA PRO A 20 6.427 9.034 -3.339 1.00 24.44 H new ATOM 0 HB2 PRO A 20 6.730 11.773 -3.817 1.00 74.15 H new ATOM 0 HB3 PRO A 20 7.334 11.011 -2.358 1.00 74.15 H new ATOM 0 HG2 PRO A 20 8.819 11.745 -4.866 1.00 73.12 H new ATOM 0 HG3 PRO A 20 9.330 11.898 -3.197 1.00 73.12 H new ATOM 0 HD2 PRO A 20 10.215 9.868 -4.751 1.00 65.52 H new ATOM 0 HD3 PRO A 20 9.944 9.640 -3.035 1.00 65.52 H new ATOM 309 N VAL A 21 4.957 9.546 -5.191 1.00 14.03 N ATOM 310 CA VAL A 21 4.081 9.650 -6.315 1.00 65.22 C ATOM 311 C VAL A 21 3.040 10.697 -6.035 1.00 22.55 C ATOM 312 O VAL A 21 2.633 10.889 -4.879 1.00 44.31 O ATOM 313 CB VAL A 21 3.385 8.288 -6.663 1.00 74.04 C ATOM 314 CG1 VAL A 21 4.415 7.227 -7.024 1.00 44.40 C ATOM 315 CG2 VAL A 21 2.498 7.798 -5.515 1.00 65.33 C ATOM 0 H VAL A 21 4.495 9.285 -4.320 1.00 14.03 H new ATOM 0 HA VAL A 21 4.683 9.931 -7.179 1.00 65.22 H new ATOM 0 HB VAL A 21 2.747 8.463 -7.529 1.00 74.04 H new ATOM 0 HG11 VAL A 21 3.907 6.292 -7.261 1.00 44.40 H new ATOM 0 HG12 VAL A 21 4.990 7.557 -7.889 1.00 44.40 H new ATOM 0 HG13 VAL A 21 5.087 7.071 -6.180 1.00 44.40 H new ATOM 0 HG21 VAL A 21 2.033 6.852 -5.793 1.00 65.33 H new ATOM 0 HG22 VAL A 21 3.106 7.655 -4.621 1.00 65.33 H new ATOM 0 HG23 VAL A 21 1.723 8.538 -5.312 1.00 65.33 H new ATOM 325 N SER A 22 2.648 11.402 -7.043 1.00 33.21 N ATOM 326 CA SER A 22 1.615 12.371 -6.895 1.00 30.45 C ATOM 327 C SER A 22 0.246 11.705 -7.012 1.00 1.11 C ATOM 328 O SER A 22 -0.241 11.448 -8.127 1.00 33.15 O ATOM 329 CB SER A 22 1.787 13.492 -7.906 1.00 22.43 C ATOM 330 OG SER A 22 3.051 14.138 -7.727 1.00 50.33 O ATOM 0 H SER A 22 3.031 11.324 -7.985 1.00 33.21 H new ATOM 0 HA SER A 22 1.683 12.816 -5.902 1.00 30.45 H new ATOM 0 HB2 SER A 22 1.716 13.092 -8.917 1.00 22.43 H new ATOM 0 HB3 SER A 22 0.982 14.218 -7.794 1.00 22.43 H new ATOM 0 HG SER A 22 3.148 14.856 -8.387 1.00 50.33 H new ATOM 336 N ARG A 23 -0.322 11.375 -5.844 1.00 63.40 N ATOM 337 CA ARG A 23 -1.627 10.730 -5.697 1.00 54.31 C ATOM 338 C ARG A 23 -1.623 9.260 -6.140 1.00 21.23 C ATOM 339 O ARG A 23 -1.071 8.907 -7.197 1.00 71.45 O ATOM 340 CB ARG A 23 -2.753 11.548 -6.387 1.00 20.34 C ATOM 341 CG ARG A 23 -4.155 10.923 -6.338 1.00 32.32 C ATOM 342 CD ARG A 23 -4.642 10.672 -4.910 1.00 42.12 C ATOM 343 NE ARG A 23 -4.714 11.889 -4.090 1.00 54.03 N ATOM 344 CZ ARG A 23 -5.063 11.908 -2.787 1.00 54.53 C ATOM 345 NH1 ARG A 23 -5.352 10.772 -2.154 1.00 71.22 N ATOM 346 NH2 ARG A 23 -5.111 13.050 -2.128 1.00 4.23 N ATOM 0 H ARG A 23 0.132 11.557 -4.949 1.00 63.40 H new ATOM 0 HA ARG A 23 -1.845 10.717 -4.629 1.00 54.31 H new ATOM 0 HB2 ARG A 23 -2.798 12.533 -5.923 1.00 20.34 H new ATOM 0 HB3 ARG A 23 -2.479 11.700 -7.431 1.00 20.34 H new ATOM 0 HG2 ARG A 23 -4.859 11.581 -6.847 1.00 32.32 H new ATOM 0 HG3 ARG A 23 -4.147 9.980 -6.885 1.00 32.32 H new ATOM 0 HD2 ARG A 23 -5.629 10.211 -4.948 1.00 42.12 H new ATOM 0 HD3 ARG A 23 -3.974 9.958 -4.428 1.00 42.12 H new ATOM 0 HE ARG A 23 -4.485 12.778 -4.535 1.00 54.03 H new ATOM 0 HH11 ARG A 23 -5.310 9.884 -2.655 1.00 71.22 H new ATOM 0 HH12 ARG A 23 -5.615 10.790 -1.169 1.00 71.22 H new ATOM 0 HH21 ARG A 23 -4.884 13.923 -2.604 1.00 4.23 H new ATOM 0 HH22 ARG A 23 -5.375 13.060 -1.143 1.00 4.23 H new ATOM 360 N ILE A 24 -2.203 8.401 -5.298 1.00 2.30 N ATOM 361 CA ILE A 24 -2.390 6.992 -5.630 1.00 44.14 C ATOM 362 C ILE A 24 -3.338 6.961 -6.823 1.00 41.10 C ATOM 363 O ILE A 24 -4.542 7.264 -6.698 1.00 13.31 O ATOM 364 CB ILE A 24 -3.040 6.184 -4.452 1.00 64.15 C ATOM 365 CG1 ILE A 24 -2.335 6.451 -3.095 1.00 60.21 C ATOM 366 CG2 ILE A 24 -3.008 4.694 -4.755 1.00 53.34 C ATOM 367 CD1 ILE A 24 -0.881 6.098 -3.034 1.00 61.11 C ATOM 0 H ILE A 24 -2.552 8.662 -4.376 1.00 2.30 H new ATOM 0 HA ILE A 24 -1.423 6.534 -5.838 1.00 44.14 H new ATOM 0 HB ILE A 24 -4.072 6.524 -4.364 1.00 64.15 H new ATOM 0 HG12 ILE A 24 -2.443 7.508 -2.853 1.00 60.21 H new ATOM 0 HG13 ILE A 24 -2.858 5.892 -2.319 1.00 60.21 H new ATOM 0 HG21 ILE A 24 -3.462 4.145 -3.930 1.00 53.34 H new ATOM 0 HG22 ILE A 24 -3.564 4.497 -5.671 1.00 53.34 H new ATOM 0 HG23 ILE A 24 -1.975 4.370 -4.881 1.00 53.34 H new ATOM 0 HD11 ILE A 24 -0.493 6.326 -2.041 1.00 61.11 H new ATOM 0 HD12 ILE A 24 -0.756 5.034 -3.237 1.00 61.11 H new ATOM 0 HD13 ILE A 24 -0.335 6.676 -3.779 1.00 61.11 H new ATOM 379 N LYS A 25 -2.800 6.655 -7.966 1.00 23.10 N ATOM 380 CA LYS A 25 -3.544 6.722 -9.184 1.00 52.20 C ATOM 381 C LYS A 25 -3.872 5.325 -9.644 1.00 44.15 C ATOM 382 O LYS A 25 -3.174 4.370 -9.281 1.00 1.34 O ATOM 383 CB LYS A 25 -2.709 7.471 -10.221 1.00 4.41 C ATOM 384 CG LYS A 25 -1.470 6.746 -10.672 1.00 31.44 C ATOM 385 CD LYS A 25 -0.543 7.688 -11.384 1.00 51.31 C ATOM 386 CE LYS A 25 0.176 8.594 -10.380 1.00 31.04 C ATOM 387 NZ LYS A 25 0.889 9.716 -11.026 1.00 1.35 N ATOM 0 H LYS A 25 -1.833 6.352 -8.078 1.00 23.10 H new ATOM 0 HA LYS A 25 -4.483 7.256 -9.039 1.00 52.20 H new ATOM 0 HB2 LYS A 25 -3.332 7.674 -11.092 1.00 4.41 H new ATOM 0 HB3 LYS A 25 -2.418 8.436 -9.805 1.00 4.41 H new ATOM 0 HG2 LYS A 25 -0.964 6.308 -9.812 1.00 31.44 H new ATOM 0 HG3 LYS A 25 -1.742 5.924 -11.334 1.00 31.44 H new ATOM 0 HD2 LYS A 25 0.188 7.122 -11.960 1.00 51.31 H new ATOM 0 HD3 LYS A 25 -1.106 8.295 -12.093 1.00 51.31 H new ATOM 0 HE2 LYS A 25 -0.551 8.992 -9.672 1.00 31.04 H new ATOM 0 HE3 LYS A 25 0.888 8.000 -9.807 1.00 31.04 H new ATOM 0 HZ1 LYS A 25 1.866 9.757 -10.671 1.00 1.35 H new ATOM 0 HZ2 LYS A 25 0.901 9.573 -12.056 1.00 1.35 H new ATOM 0 HZ3 LYS A 25 0.403 10.609 -10.806 1.00 1.35 H new ATOM 401 N THR A 26 -4.910 5.195 -10.428 1.00 44.40 N ATOM 402 CA THR A 26 -5.348 3.905 -10.866 1.00 1.04 C ATOM 403 C THR A 26 -5.435 3.754 -12.371 1.00 63.53 C ATOM 404 O THR A 26 -6.025 4.586 -13.066 1.00 11.34 O ATOM 405 CB THR A 26 -6.669 3.472 -10.187 1.00 3.21 C ATOM 406 OG1 THR A 26 -7.601 4.578 -10.139 1.00 62.23 O ATOM 407 CG2 THR A 26 -6.423 2.919 -8.793 1.00 13.43 C ATOM 0 H THR A 26 -5.468 5.975 -10.776 1.00 44.40 H new ATOM 0 HA THR A 26 -4.560 3.225 -10.542 1.00 1.04 H new ATOM 0 HB THR A 26 -7.105 2.674 -10.787 1.00 3.21 H new ATOM 0 HG1 THR A 26 -8.432 4.287 -9.708 1.00 62.23 H new ATOM 0 HG21 THR A 26 -7.372 2.625 -8.346 1.00 13.43 H new ATOM 0 HG22 THR A 26 -5.767 2.051 -8.857 1.00 13.43 H new ATOM 0 HG23 THR A 26 -5.953 3.684 -8.176 1.00 13.43 H new ATOM 415 N TYR A 27 -4.845 2.693 -12.855 1.00 62.21 N ATOM 416 CA TYR A 27 -4.908 2.314 -14.251 1.00 73.12 C ATOM 417 C TYR A 27 -5.778 1.107 -14.364 1.00 72.31 C ATOM 418 O TYR A 27 -5.656 0.184 -13.562 1.00 33.01 O ATOM 419 CB TYR A 27 -3.503 2.006 -14.805 1.00 44.22 C ATOM 420 CG TYR A 27 -2.643 3.232 -14.969 1.00 60.32 C ATOM 421 CD1 TYR A 27 -1.980 3.807 -13.888 1.00 22.43 C ATOM 422 CD2 TYR A 27 -2.508 3.826 -16.210 1.00 61.15 C ATOM 423 CE1 TYR A 27 -1.215 4.941 -14.049 1.00 63.13 C ATOM 424 CE2 TYR A 27 -1.743 4.951 -16.381 1.00 64.02 C ATOM 425 CZ TYR A 27 -1.099 5.509 -15.300 1.00 23.50 C ATOM 426 OH TYR A 27 -0.354 6.648 -15.479 1.00 34.34 O ATOM 0 H TYR A 27 -4.295 2.052 -12.283 1.00 62.21 H new ATOM 0 HA TYR A 27 -5.318 3.138 -14.835 1.00 73.12 H new ATOM 0 HB2 TYR A 27 -3.002 1.307 -14.136 1.00 44.22 H new ATOM 0 HB3 TYR A 27 -3.602 1.509 -15.770 1.00 44.22 H new ATOM 0 HD1 TYR A 27 -2.067 3.358 -12.910 1.00 22.43 H new ATOM 0 HD2 TYR A 27 -3.015 3.396 -17.061 1.00 61.15 H new ATOM 0 HE1 TYR A 27 -0.710 5.382 -13.202 1.00 63.13 H new ATOM 0 HE2 TYR A 27 -1.646 5.397 -17.360 1.00 64.02 H new ATOM 0 HH TYR A 27 0.531 6.527 -15.075 1.00 34.34 H new ATOM 436 N THR A 28 -6.664 1.108 -15.308 1.00 73.42 N ATOM 437 CA THR A 28 -7.550 0.009 -15.443 1.00 71.21 C ATOM 438 C THR A 28 -7.245 -0.765 -16.720 1.00 23.21 C ATOM 439 O THR A 28 -7.188 -0.204 -17.819 1.00 54.45 O ATOM 440 CB THR A 28 -9.026 0.456 -15.413 1.00 12.25 C ATOM 441 OG1 THR A 28 -9.220 1.361 -14.303 1.00 73.45 O ATOM 442 CG2 THR A 28 -9.931 -0.756 -15.194 1.00 61.04 C ATOM 0 H THR A 28 -6.789 1.855 -15.991 1.00 73.42 H new ATOM 0 HA THR A 28 -7.394 -0.649 -14.588 1.00 71.21 H new ATOM 0 HB THR A 28 -9.270 0.940 -16.359 1.00 12.25 H new ATOM 0 HG1 THR A 28 -10.156 1.652 -14.277 1.00 73.45 H new ATOM 0 HG21 THR A 28 -10.972 -0.434 -15.174 1.00 61.04 H new ATOM 0 HG22 THR A 28 -9.787 -1.469 -16.006 1.00 61.04 H new ATOM 0 HG23 THR A 28 -9.680 -1.231 -14.246 1.00 61.04 H new ATOM 450 N ILE A 29 -7.043 -2.025 -16.554 1.00 72.02 N ATOM 451 CA ILE A 29 -6.750 -2.928 -17.620 1.00 11.22 C ATOM 452 C ILE A 29 -8.008 -3.700 -17.956 1.00 40.05 C ATOM 453 O ILE A 29 -8.745 -4.104 -17.068 1.00 63.35 O ATOM 454 CB ILE A 29 -5.606 -3.894 -17.196 1.00 32.14 C ATOM 455 CG1 ILE A 29 -4.300 -3.126 -17.031 1.00 71.45 C ATOM 456 CG2 ILE A 29 -5.448 -5.029 -18.158 1.00 72.41 C ATOM 457 CD1 ILE A 29 -3.142 -3.936 -16.521 1.00 32.20 C ATOM 0 H ILE A 29 -7.078 -2.475 -15.639 1.00 72.02 H new ATOM 0 HA ILE A 29 -6.417 -2.378 -18.500 1.00 11.22 H new ATOM 0 HB ILE A 29 -5.877 -4.330 -16.234 1.00 32.14 H new ATOM 0 HG12 ILE A 29 -4.026 -2.696 -17.994 1.00 71.45 H new ATOM 0 HG13 ILE A 29 -4.470 -2.294 -16.347 1.00 71.45 H new ATOM 0 HG21 ILE A 29 -4.639 -5.679 -17.824 1.00 72.41 H new ATOM 0 HG22 ILE A 29 -6.376 -5.599 -18.204 1.00 72.41 H new ATOM 0 HG23 ILE A 29 -5.214 -4.637 -19.148 1.00 72.41 H new ATOM 0 HD11 ILE A 29 -2.261 -3.299 -16.439 1.00 32.20 H new ATOM 0 HD12 ILE A 29 -3.387 -4.345 -15.541 1.00 32.20 H new ATOM 0 HD13 ILE A 29 -2.936 -4.752 -17.213 1.00 32.20 H new ATOM 469 N THR A 30 -8.262 -3.844 -19.213 1.00 74.35 N ATOM 470 CA THR A 30 -9.433 -4.522 -19.711 1.00 12.21 C ATOM 471 C THR A 30 -9.052 -5.463 -20.845 1.00 72.52 C ATOM 472 O THR A 30 -9.166 -5.108 -22.019 1.00 64.24 O ATOM 473 CB THR A 30 -10.549 -3.523 -20.166 1.00 13.02 C ATOM 474 OG1 THR A 30 -10.001 -2.530 -21.071 1.00 40.44 O ATOM 475 CG2 THR A 30 -11.199 -2.825 -18.974 1.00 60.33 C ATOM 0 H THR A 30 -7.652 -3.488 -19.949 1.00 74.35 H new ATOM 0 HA THR A 30 -9.849 -5.105 -18.890 1.00 12.21 H new ATOM 0 HB THR A 30 -11.315 -4.103 -20.682 1.00 13.02 H new ATOM 0 HG1 THR A 30 -9.499 -2.978 -21.783 1.00 40.44 H new ATOM 0 HG21 THR A 30 -11.968 -2.139 -19.329 1.00 60.33 H new ATOM 0 HG22 THR A 30 -11.651 -3.569 -18.318 1.00 60.33 H new ATOM 0 HG23 THR A 30 -10.443 -2.267 -18.422 1.00 60.33 H new ATOM 483 N GLU A 31 -8.550 -6.639 -20.519 1.00 65.02 N ATOM 484 CA GLU A 31 -8.052 -7.508 -21.564 1.00 33.32 C ATOM 485 C GLU A 31 -8.885 -8.761 -21.683 1.00 34.03 C ATOM 486 O GLU A 31 -8.715 -9.689 -20.903 1.00 2.25 O ATOM 487 CB GLU A 31 -6.580 -7.909 -21.333 1.00 11.42 C ATOM 488 CG GLU A 31 -5.656 -6.768 -20.942 1.00 53.44 C ATOM 489 CD GLU A 31 -5.807 -5.536 -21.808 1.00 32.43 C ATOM 490 OE1 GLU A 31 -5.620 -5.637 -23.027 1.00 40.14 O ATOM 491 OE2 GLU A 31 -6.077 -4.453 -21.264 1.00 3.15 O ATOM 0 H GLU A 31 -8.477 -7.005 -19.570 1.00 65.02 H new ATOM 0 HA GLU A 31 -8.120 -6.936 -22.490 1.00 33.32 H new ATOM 0 HB2 GLU A 31 -6.545 -8.669 -20.552 1.00 11.42 H new ATOM 0 HB3 GLU A 31 -6.198 -8.370 -22.244 1.00 11.42 H new ATOM 0 HG2 GLU A 31 -5.848 -6.497 -19.904 1.00 53.44 H new ATOM 0 HG3 GLU A 31 -4.624 -7.114 -20.995 1.00 53.44 H new ATOM 498 N GLY A 32 -9.780 -8.778 -22.650 1.00 51.20 N ATOM 499 CA GLY A 32 -10.603 -9.953 -22.899 1.00 62.32 C ATOM 500 C GLY A 32 -11.459 -10.352 -21.706 1.00 44.11 C ATOM 501 O GLY A 32 -11.210 -11.379 -21.078 1.00 73.30 O ATOM 0 H GLY A 32 -9.959 -7.994 -23.278 1.00 51.20 H new ATOM 0 HA2 GLY A 32 -11.251 -9.760 -23.754 1.00 62.32 H new ATOM 0 HA3 GLY A 32 -9.958 -10.789 -23.170 1.00 62.32 H new ATOM 505 N SER A 33 -12.436 -9.506 -21.382 1.00 12.10 N ATOM 506 CA SER A 33 -13.400 -9.729 -20.290 1.00 21.20 C ATOM 507 C SER A 33 -12.739 -9.666 -18.895 1.00 11.55 C ATOM 508 O SER A 33 -13.361 -9.993 -17.887 1.00 54.44 O ATOM 509 CB SER A 33 -14.138 -11.062 -20.497 1.00 24.04 C ATOM 510 OG SER A 33 -14.747 -11.091 -21.783 1.00 14.24 O ATOM 0 H SER A 33 -12.588 -8.627 -21.877 1.00 12.10 H new ATOM 0 HA SER A 33 -14.125 -8.916 -20.323 1.00 21.20 H new ATOM 0 HB2 SER A 33 -13.439 -11.892 -20.399 1.00 24.04 H new ATOM 0 HB3 SER A 33 -14.896 -11.190 -19.724 1.00 24.04 H new ATOM 0 HG SER A 33 -15.213 -11.945 -21.905 1.00 14.24 H new ATOM 516 N LEU A 34 -11.519 -9.192 -18.852 1.00 73.23 N ATOM 517 CA LEU A 34 -10.747 -9.126 -17.634 1.00 65.33 C ATOM 518 C LEU A 34 -10.526 -7.678 -17.243 1.00 74.43 C ATOM 519 O LEU A 34 -10.079 -6.887 -18.056 1.00 3.52 O ATOM 520 CB LEU A 34 -9.390 -9.874 -17.881 1.00 0.22 C ATOM 521 CG LEU A 34 -8.311 -9.963 -16.750 1.00 2.40 C ATOM 522 CD1 LEU A 34 -7.628 -8.624 -16.468 1.00 70.44 C ATOM 523 CD2 LEU A 34 -8.905 -10.547 -15.478 1.00 4.34 C ATOM 0 H LEU A 34 -11.027 -8.836 -19.672 1.00 73.23 H new ATOM 0 HA LEU A 34 -11.275 -9.606 -16.810 1.00 65.33 H new ATOM 0 HB2 LEU A 34 -9.635 -10.895 -18.172 1.00 0.22 H new ATOM 0 HB3 LEU A 34 -8.915 -9.402 -18.741 1.00 0.22 H new ATOM 0 HG LEU A 34 -7.535 -10.635 -17.116 1.00 2.40 H new ATOM 0 HD11 LEU A 34 -6.891 -8.751 -15.675 1.00 70.44 H new ATOM 0 HD12 LEU A 34 -7.131 -8.272 -17.372 1.00 70.44 H new ATOM 0 HD13 LEU A 34 -8.374 -7.893 -16.156 1.00 70.44 H new ATOM 0 HD21 LEU A 34 -8.136 -10.599 -14.707 1.00 4.34 H new ATOM 0 HD22 LEU A 34 -9.722 -9.913 -15.133 1.00 4.34 H new ATOM 0 HD23 LEU A 34 -9.284 -11.549 -15.680 1.00 4.34 H new ATOM 535 N ARG A 35 -10.843 -7.337 -16.008 1.00 23.25 N ATOM 536 CA ARG A 35 -10.539 -6.012 -15.500 1.00 2.14 C ATOM 537 C ARG A 35 -9.384 -6.090 -14.565 1.00 33.52 C ATOM 538 O ARG A 35 -9.253 -7.039 -13.844 1.00 42.31 O ATOM 539 CB ARG A 35 -11.695 -5.374 -14.738 1.00 74.20 C ATOM 540 CG ARG A 35 -12.696 -4.592 -15.548 1.00 5.51 C ATOM 541 CD ARG A 35 -13.625 -3.883 -14.581 1.00 21.01 C ATOM 542 NE ARG A 35 -14.407 -2.806 -15.191 1.00 50.15 N ATOM 543 CZ ARG A 35 -14.366 -1.517 -14.769 1.00 43.20 C ATOM 544 NH1 ARG A 35 -13.508 -1.142 -13.821 1.00 41.11 N ATOM 545 NH2 ARG A 35 -15.159 -0.628 -15.296 1.00 44.13 N ATOM 0 H ARG A 35 -11.308 -7.954 -15.342 1.00 23.25 H new ATOM 0 HA ARG A 35 -10.324 -5.398 -16.374 1.00 2.14 H new ATOM 0 HB2 ARG A 35 -12.229 -6.163 -14.209 1.00 74.20 H new ATOM 0 HB3 ARG A 35 -11.277 -4.709 -13.982 1.00 74.20 H new ATOM 0 HG2 ARG A 35 -12.189 -3.870 -16.188 1.00 5.51 H new ATOM 0 HG3 ARG A 35 -13.261 -5.257 -16.202 1.00 5.51 H new ATOM 0 HD2 ARG A 35 -14.308 -4.613 -14.147 1.00 21.01 H new ATOM 0 HD3 ARG A 35 -13.035 -3.471 -13.762 1.00 21.01 H new ATOM 0 HE ARG A 35 -15.016 -3.037 -15.976 1.00 50.15 H new ATOM 0 HH11 ARG A 35 -12.875 -1.826 -13.406 1.00 41.11 H new ATOM 0 HH12 ARG A 35 -13.484 -0.171 -13.510 1.00 41.11 H new ATOM 0 HH21 ARG A 35 -15.814 -0.900 -16.029 1.00 44.13 H new ATOM 0 HH22 ARG A 35 -15.125 0.340 -14.976 1.00 44.13 H new ATOM 559 N CYS A 36 -8.539 -5.132 -14.595 1.00 73.45 N ATOM 560 CA CYS A 36 -7.501 -5.065 -13.627 1.00 43.31 C ATOM 561 C CYS A 36 -7.354 -3.640 -13.203 1.00 31.40 C ATOM 562 O CYS A 36 -7.385 -2.753 -14.026 1.00 42.01 O ATOM 563 CB CYS A 36 -6.186 -5.575 -14.166 1.00 12.04 C ATOM 564 SG CYS A 36 -5.170 -6.382 -12.865 1.00 10.24 S ATOM 0 H CYS A 36 -8.541 -4.377 -15.281 1.00 73.45 H new ATOM 0 HA CYS A 36 -7.768 -5.701 -12.783 1.00 43.31 H new ATOM 0 HB2 CYS A 36 -6.376 -6.286 -14.970 1.00 12.04 H new ATOM 0 HB3 CYS A 36 -5.627 -4.746 -14.599 1.00 12.04 H new ATOM 569 N VAL A 37 -7.242 -3.417 -11.944 1.00 33.00 N ATOM 570 CA VAL A 37 -7.082 -2.083 -11.433 1.00 2.55 C ATOM 571 C VAL A 37 -5.727 -1.983 -10.780 1.00 42.14 C ATOM 572 O VAL A 37 -5.357 -2.843 -9.980 1.00 70.02 O ATOM 573 CB VAL A 37 -8.192 -1.721 -10.420 1.00 52.10 C ATOM 574 CG1 VAL A 37 -8.052 -0.292 -9.933 1.00 53.23 C ATOM 575 CG2 VAL A 37 -9.567 -1.961 -11.017 1.00 11.12 C ATOM 0 H VAL A 37 -7.257 -4.146 -11.230 1.00 33.00 H new ATOM 0 HA VAL A 37 -7.160 -1.376 -12.259 1.00 2.55 H new ATOM 0 HB VAL A 37 -8.079 -2.375 -9.555 1.00 52.10 H new ATOM 0 HG11 VAL A 37 -8.848 -0.070 -9.222 1.00 53.23 H new ATOM 0 HG12 VAL A 37 -7.085 -0.167 -9.446 1.00 53.23 H new ATOM 0 HG13 VAL A 37 -8.122 0.390 -10.781 1.00 53.23 H new ATOM 0 HG21 VAL A 37 -10.332 -1.699 -10.286 1.00 11.12 H new ATOM 0 HG22 VAL A 37 -9.690 -1.344 -11.907 1.00 11.12 H new ATOM 0 HG23 VAL A 37 -9.668 -3.012 -11.287 1.00 11.12 H new ATOM 585 N ILE A 38 -4.994 -0.967 -11.133 1.00 3.11 N ATOM 586 CA ILE A 38 -3.656 -0.785 -10.644 1.00 31.33 C ATOM 587 C ILE A 38 -3.584 0.482 -9.823 1.00 54.11 C ATOM 588 O ILE A 38 -3.823 1.556 -10.336 1.00 71.20 O ATOM 589 CB ILE A 38 -2.691 -0.611 -11.833 1.00 33.42 C ATOM 590 CG1 ILE A 38 -2.839 -1.770 -12.820 1.00 53.01 C ATOM 591 CG2 ILE A 38 -1.241 -0.505 -11.339 1.00 54.34 C ATOM 592 CD1 ILE A 38 -2.062 -1.569 -14.087 1.00 12.33 C ATOM 0 H ILE A 38 -5.309 -0.237 -11.772 1.00 3.11 H new ATOM 0 HA ILE A 38 -3.384 -1.654 -10.045 1.00 31.33 H new ATOM 0 HB ILE A 38 -2.946 0.314 -12.350 1.00 33.42 H new ATOM 0 HG12 ILE A 38 -2.508 -2.691 -12.341 1.00 53.01 H new ATOM 0 HG13 ILE A 38 -3.893 -1.898 -13.064 1.00 53.01 H new ATOM 0 HG21 ILE A 38 -0.574 -0.383 -12.192 1.00 54.34 H new ATOM 0 HG22 ILE A 38 -1.144 0.355 -10.676 1.00 54.34 H new ATOM 0 HG23 ILE A 38 -0.974 -1.412 -10.797 1.00 54.34 H new ATOM 0 HD11 ILE A 38 -2.209 -2.426 -14.744 1.00 12.33 H new ATOM 0 HD12 ILE A 38 -2.409 -0.665 -14.587 1.00 12.33 H new ATOM 0 HD13 ILE A 38 -1.002 -1.470 -13.852 1.00 12.33 H new ATOM 604 N PHE A 39 -3.259 0.338 -8.574 1.00 44.43 N ATOM 605 CA PHE A 39 -3.079 1.441 -7.670 1.00 45.41 C ATOM 606 C PHE A 39 -1.602 1.715 -7.536 1.00 73.01 C ATOM 607 O PHE A 39 -0.862 0.848 -7.055 1.00 65.24 O ATOM 608 CB PHE A 39 -3.621 1.102 -6.275 1.00 4.11 C ATOM 609 CG PHE A 39 -5.098 0.913 -6.172 1.00 72.42 C ATOM 610 CD1 PHE A 39 -5.706 -0.233 -6.652 1.00 21.52 C ATOM 611 CD2 PHE A 39 -5.877 1.883 -5.582 1.00 0.22 C ATOM 612 CE1 PHE A 39 -7.063 -0.403 -6.544 1.00 12.12 C ATOM 613 CE2 PHE A 39 -7.233 1.723 -5.472 1.00 23.10 C ATOM 614 CZ PHE A 39 -7.835 0.577 -5.953 1.00 30.54 C ATOM 0 H PHE A 39 -3.107 -0.573 -8.141 1.00 44.43 H new ATOM 0 HA PHE A 39 -3.615 2.304 -8.065 1.00 45.41 H new ATOM 0 HB2 PHE A 39 -3.134 0.190 -5.930 1.00 4.11 H new ATOM 0 HB3 PHE A 39 -3.329 1.898 -5.591 1.00 4.11 H new ATOM 0 HD1 PHE A 39 -5.106 -1.002 -7.117 1.00 21.52 H new ATOM 0 HD2 PHE A 39 -5.413 2.781 -5.201 1.00 0.22 H new ATOM 0 HE1 PHE A 39 -7.527 -1.303 -6.921 1.00 12.12 H new ATOM 0 HE2 PHE A 39 -7.832 2.493 -5.009 1.00 23.10 H new ATOM 0 HZ PHE A 39 -8.904 0.448 -5.867 1.00 30.54 H new ATOM 624 N ILE A 40 -1.149 2.861 -7.960 1.00 22.13 N ATOM 625 CA ILE A 40 0.256 3.167 -7.796 1.00 55.11 C ATOM 626 C ILE A 40 0.405 3.882 -6.497 1.00 34.04 C ATOM 627 O ILE A 40 -0.148 4.966 -6.319 1.00 60.44 O ATOM 628 CB ILE A 40 0.813 4.098 -8.894 1.00 71.12 C ATOM 629 CG1 ILE A 40 0.353 3.642 -10.266 1.00 31.03 C ATOM 630 CG2 ILE A 40 2.344 4.151 -8.814 1.00 3.03 C ATOM 631 CD1 ILE A 40 1.038 4.339 -11.411 1.00 14.24 C ATOM 0 H ILE A 40 -1.709 3.585 -8.411 1.00 22.13 H new ATOM 0 HA ILE A 40 0.806 2.227 -7.847 1.00 55.11 H new ATOM 0 HB ILE A 40 0.426 5.104 -8.731 1.00 71.12 H new ATOM 0 HG12 ILE A 40 0.522 2.569 -10.355 1.00 31.03 H new ATOM 0 HG13 ILE A 40 -0.722 3.803 -10.348 1.00 31.03 H new ATOM 0 HG21 ILE A 40 2.726 4.811 -9.593 1.00 3.03 H new ATOM 0 HG22 ILE A 40 2.644 4.531 -7.837 1.00 3.03 H new ATOM 0 HG23 ILE A 40 2.751 3.149 -8.955 1.00 3.03 H new ATOM 0 HD11 ILE A 40 0.651 3.954 -12.355 1.00 14.24 H new ATOM 0 HD12 ILE A 40 0.848 5.411 -11.351 1.00 14.24 H new ATOM 0 HD13 ILE A 40 2.111 4.157 -11.358 1.00 14.24 H new ATOM 643 N THR A 41 1.132 3.307 -5.597 1.00 65.21 N ATOM 644 CA THR A 41 1.309 3.904 -4.331 1.00 24.23 C ATOM 645 C THR A 41 2.753 4.344 -4.195 1.00 70.31 C ATOM 646 O THR A 41 3.611 3.913 -4.967 1.00 42.41 O ATOM 647 CB THR A 41 0.922 2.954 -3.159 1.00 3.43 C ATOM 648 OG1 THR A 41 1.846 1.865 -3.096 1.00 3.04 O ATOM 649 CG2 THR A 41 -0.476 2.365 -3.357 1.00 15.44 C ATOM 0 H THR A 41 1.614 2.417 -5.724 1.00 65.21 H new ATOM 0 HA THR A 41 0.640 4.762 -4.267 1.00 24.23 H new ATOM 0 HB THR A 41 0.943 3.542 -2.241 1.00 3.43 H new ATOM 0 HG1 THR A 41 2.305 1.775 -3.957 1.00 3.04 H new ATOM 0 HG21 THR A 41 -0.715 1.707 -2.522 1.00 15.44 H new ATOM 0 HG22 THR A 41 -1.207 3.172 -3.404 1.00 15.44 H new ATOM 0 HG23 THR A 41 -0.503 1.796 -4.286 1.00 15.44 H new ATOM 657 N LYS A 42 3.020 5.170 -3.220 1.00 23.30 N ATOM 658 CA LYS A 42 4.373 5.711 -2.997 1.00 75.33 C ATOM 659 C LYS A 42 5.485 4.678 -2.646 1.00 25.21 C ATOM 660 O LYS A 42 6.650 5.044 -2.525 1.00 51.31 O ATOM 661 CB LYS A 42 4.368 6.965 -2.074 1.00 20.15 C ATOM 662 CG LYS A 42 3.559 6.866 -0.769 1.00 3.52 C ATOM 663 CD LYS A 42 4.058 5.786 0.173 1.00 72.41 C ATOM 664 CE LYS A 42 3.251 5.791 1.473 1.00 24.21 C ATOM 665 NZ LYS A 42 3.688 4.744 2.424 1.00 13.23 N ATOM 0 H LYS A 42 2.324 5.498 -2.550 1.00 23.30 H new ATOM 0 HA LYS A 42 4.681 6.045 -3.988 1.00 75.33 H new ATOM 0 HB2 LYS A 42 5.401 7.200 -1.816 1.00 20.15 H new ATOM 0 HB3 LYS A 42 3.983 7.808 -2.649 1.00 20.15 H new ATOM 0 HG2 LYS A 42 3.592 7.827 -0.257 1.00 3.52 H new ATOM 0 HG3 LYS A 42 2.515 6.670 -1.012 1.00 3.52 H new ATOM 0 HD2 LYS A 42 3.978 4.811 -0.308 1.00 72.41 H new ATOM 0 HD3 LYS A 42 5.113 5.947 0.393 1.00 72.41 H new ATOM 0 HE2 LYS A 42 3.342 6.768 1.948 1.00 24.21 H new ATOM 0 HE3 LYS A 42 2.196 5.647 1.241 1.00 24.21 H new ATOM 0 HZ1 LYS A 42 3.108 4.794 3.286 1.00 13.23 H new ATOM 0 HZ2 LYS A 42 3.576 3.808 1.985 1.00 13.23 H new ATOM 0 HZ3 LYS A 42 4.687 4.894 2.670 1.00 13.23 H new ATOM 679 N ARG A 43 5.130 3.404 -2.481 1.00 5.03 N ATOM 680 CA ARG A 43 6.146 2.364 -2.271 1.00 12.45 C ATOM 681 C ARG A 43 5.874 1.115 -3.076 1.00 31.53 C ATOM 682 O ARG A 43 6.561 0.101 -2.907 1.00 42.24 O ATOM 683 CB ARG A 43 6.325 1.976 -0.812 1.00 75.34 C ATOM 684 CG ARG A 43 6.912 3.048 0.054 1.00 12.14 C ATOM 685 CD ARG A 43 7.260 2.489 1.400 1.00 22.12 C ATOM 686 NE ARG A 43 8.303 1.448 1.318 1.00 12.43 N ATOM 687 CZ ARG A 43 8.841 0.815 2.371 1.00 23.03 C ATOM 688 NH1 ARG A 43 8.362 1.024 3.596 1.00 42.54 N ATOM 689 NH2 ARG A 43 9.839 -0.045 2.189 1.00 43.13 N ATOM 0 H ARG A 43 4.167 3.068 -2.488 1.00 5.03 H new ATOM 0 HA ARG A 43 7.071 2.823 -2.619 1.00 12.45 H new ATOM 0 HB2 ARG A 43 5.355 1.690 -0.405 1.00 75.34 H new ATOM 0 HB3 ARG A 43 6.965 1.095 -0.760 1.00 75.34 H new ATOM 0 HG2 ARG A 43 7.803 3.461 -0.419 1.00 12.14 H new ATOM 0 HG3 ARG A 43 6.201 3.867 0.164 1.00 12.14 H new ATOM 0 HD2 ARG A 43 7.603 3.295 2.049 1.00 22.12 H new ATOM 0 HD3 ARG A 43 6.365 2.069 1.860 1.00 22.12 H new ATOM 0 HE ARG A 43 8.640 1.190 0.390 1.00 12.43 H new ATOM 0 HH11 ARG A 43 7.583 1.667 3.736 1.00 42.54 H new ATOM 0 HH12 ARG A 43 8.774 0.541 4.394 1.00 42.54 H new ATOM 0 HH21 ARG A 43 10.194 -0.222 1.250 1.00 43.13 H new ATOM 0 HH22 ARG A 43 10.249 -0.527 2.989 1.00 43.13 H new ATOM 703 N GLY A 44 4.921 1.166 -3.973 1.00 15.14 N ATOM 704 CA GLY A 44 4.596 -0.027 -4.694 1.00 52.23 C ATOM 705 C GLY A 44 3.367 0.100 -5.525 1.00 15.32 C ATOM 706 O GLY A 44 2.684 1.109 -5.487 1.00 50.34 O ATOM 0 H GLY A 44 4.375 1.994 -4.213 1.00 15.14 H new ATOM 0 HA2 GLY A 44 5.435 -0.294 -5.337 1.00 52.23 H new ATOM 0 HA3 GLY A 44 4.464 -0.846 -3.986 1.00 52.23 H new ATOM 710 N LEU A 45 3.077 -0.923 -6.252 1.00 1.11 N ATOM 711 CA LEU A 45 1.929 -0.955 -7.104 1.00 22.41 C ATOM 712 C LEU A 45 1.030 -2.078 -6.687 1.00 51.33 C ATOM 713 O LEU A 45 1.482 -3.169 -6.370 1.00 13.20 O ATOM 714 CB LEU A 45 2.284 -1.087 -8.605 1.00 21.02 C ATOM 715 CG LEU A 45 2.964 0.118 -9.299 1.00 53.11 C ATOM 716 CD1 LEU A 45 4.359 0.395 -8.761 1.00 12.31 C ATOM 717 CD2 LEU A 45 2.999 -0.087 -10.798 1.00 31.55 C ATOM 0 H LEU A 45 3.636 -1.776 -6.275 1.00 1.11 H new ATOM 0 HA LEU A 45 1.420 0.002 -6.992 1.00 22.41 H new ATOM 0 HB2 LEU A 45 2.939 -1.951 -8.719 1.00 21.02 H new ATOM 0 HB3 LEU A 45 1.365 -1.310 -9.147 1.00 21.02 H new ATOM 0 HG LEU A 45 2.361 0.998 -9.073 1.00 53.11 H new ATOM 0 HD11 LEU A 45 4.787 1.250 -9.284 1.00 12.31 H new ATOM 0 HD12 LEU A 45 4.301 0.614 -7.695 1.00 12.31 H new ATOM 0 HD13 LEU A 45 4.990 -0.480 -8.918 1.00 12.31 H new ATOM 0 HD21 LEU A 45 3.480 0.769 -11.271 1.00 31.55 H new ATOM 0 HD22 LEU A 45 3.561 -0.992 -11.028 1.00 31.55 H new ATOM 0 HD23 LEU A 45 1.981 -0.186 -11.176 1.00 31.55 H new ATOM 729 N LYS A 46 -0.207 -1.800 -6.676 1.00 45.53 N ATOM 730 CA LYS A 46 -1.219 -2.727 -6.291 1.00 11.13 C ATOM 731 C LYS A 46 -2.086 -3.047 -7.478 1.00 13.12 C ATOM 732 O LYS A 46 -2.694 -2.178 -8.055 1.00 73.11 O ATOM 733 CB LYS A 46 -2.022 -2.105 -5.148 1.00 61.35 C ATOM 734 CG LYS A 46 -3.403 -2.670 -4.915 1.00 41.21 C ATOM 735 CD LYS A 46 -4.102 -1.874 -3.839 1.00 74.45 C ATOM 736 CE LYS A 46 -5.556 -2.239 -3.737 1.00 31.14 C ATOM 737 NZ LYS A 46 -6.204 -1.580 -2.587 1.00 51.44 N ATOM 0 H LYS A 46 -0.573 -0.886 -6.944 1.00 45.53 H new ATOM 0 HA LYS A 46 -0.784 -3.665 -5.945 1.00 11.13 H new ATOM 0 HB2 LYS A 46 -1.448 -2.214 -4.228 1.00 61.35 H new ATOM 0 HB3 LYS A 46 -2.118 -1.036 -5.339 1.00 61.35 H new ATOM 0 HG2 LYS A 46 -3.981 -2.637 -5.839 1.00 41.21 H new ATOM 0 HG3 LYS A 46 -3.333 -3.717 -4.620 1.00 41.21 H new ATOM 0 HD2 LYS A 46 -3.614 -2.050 -2.880 1.00 74.45 H new ATOM 0 HD3 LYS A 46 -4.008 -0.810 -4.054 1.00 74.45 H new ATOM 0 HE2 LYS A 46 -6.068 -1.954 -4.656 1.00 31.14 H new ATOM 0 HE3 LYS A 46 -5.654 -3.320 -3.640 1.00 31.14 H new ATOM 0 HZ1 LYS A 46 -7.206 -1.855 -2.549 1.00 51.44 H new ATOM 0 HZ2 LYS A 46 -5.731 -1.872 -1.708 1.00 51.44 H new ATOM 0 HZ3 LYS A 46 -6.132 -0.548 -2.693 1.00 51.44 H new ATOM 751 N VAL A 47 -2.134 -4.286 -7.825 1.00 14.11 N ATOM 752 CA VAL A 47 -2.887 -4.733 -8.965 1.00 10.45 C ATOM 753 C VAL A 47 -4.012 -5.640 -8.519 1.00 41.11 C ATOM 754 O VAL A 47 -3.837 -6.491 -7.625 1.00 2.24 O ATOM 755 CB VAL A 47 -1.993 -5.455 -10.017 1.00 34.22 C ATOM 756 CG1 VAL A 47 -0.930 -4.507 -10.559 1.00 64.11 C ATOM 757 CG2 VAL A 47 -1.336 -6.691 -9.421 1.00 41.24 C ATOM 0 H VAL A 47 -1.650 -5.032 -7.326 1.00 14.11 H new ATOM 0 HA VAL A 47 -3.303 -3.850 -9.450 1.00 10.45 H new ATOM 0 HB VAL A 47 -2.635 -5.771 -10.839 1.00 34.22 H new ATOM 0 HG11 VAL A 47 -0.316 -5.030 -11.292 1.00 64.11 H new ATOM 0 HG12 VAL A 47 -1.412 -3.652 -11.033 1.00 64.11 H new ATOM 0 HG13 VAL A 47 -0.300 -4.160 -9.740 1.00 64.11 H new ATOM 0 HG21 VAL A 47 -0.718 -7.175 -10.177 1.00 41.24 H new ATOM 0 HG22 VAL A 47 -0.713 -6.400 -8.575 1.00 41.24 H new ATOM 0 HG23 VAL A 47 -2.106 -7.385 -9.083 1.00 41.24 H new ATOM 767 N CYS A 48 -5.157 -5.447 -9.073 1.00 72.42 N ATOM 768 CA CYS A 48 -6.263 -6.255 -8.719 1.00 4.34 C ATOM 769 C CYS A 48 -7.023 -6.634 -9.971 1.00 62.02 C ATOM 770 O CYS A 48 -7.764 -5.815 -10.532 1.00 4.25 O ATOM 771 CB CYS A 48 -7.164 -5.494 -7.761 1.00 3.51 C ATOM 772 SG CYS A 48 -8.362 -6.534 -6.879 1.00 62.32 S ATOM 0 H CYS A 48 -5.350 -4.733 -9.776 1.00 72.42 H new ATOM 0 HA CYS A 48 -5.917 -7.163 -8.225 1.00 4.34 H new ATOM 0 HB2 CYS A 48 -6.543 -4.976 -7.030 1.00 3.51 H new ATOM 0 HB3 CYS A 48 -7.705 -4.730 -8.319 1.00 3.51 H new ATOM 777 N CYS A 49 -6.790 -7.836 -10.457 1.00 0.33 N ATOM 778 CA CYS A 49 -7.484 -8.303 -11.644 1.00 1.52 C ATOM 779 C CYS A 49 -8.767 -9.065 -11.279 1.00 63.33 C ATOM 780 O CYS A 49 -8.763 -9.948 -10.410 1.00 34.44 O ATOM 781 CB CYS A 49 -6.585 -9.171 -12.540 1.00 54.42 C ATOM 782 SG CYS A 49 -5.139 -8.356 -13.363 1.00 21.43 S ATOM 0 H CYS A 49 -6.132 -8.503 -10.054 1.00 0.33 H new ATOM 0 HA CYS A 49 -7.758 -7.414 -12.212 1.00 1.52 H new ATOM 0 HB2 CYS A 49 -6.206 -9.995 -11.936 1.00 54.42 H new ATOM 0 HB3 CYS A 49 -7.210 -9.608 -13.318 1.00 54.42 H new ATOM 787 N ASP A 50 -9.837 -8.733 -11.976 1.00 14.10 N ATOM 788 CA ASP A 50 -11.152 -9.305 -11.776 1.00 12.52 C ATOM 789 C ASP A 50 -11.774 -9.557 -13.144 1.00 2.23 C ATOM 790 O ASP A 50 -11.832 -8.654 -13.951 1.00 13.53 O ATOM 791 CB ASP A 50 -12.048 -8.299 -11.047 1.00 44.02 C ATOM 792 CG ASP A 50 -13.384 -8.901 -10.627 1.00 2.52 C ATOM 793 OD1 ASP A 50 -13.464 -9.454 -9.536 1.00 31.44 O ATOM 794 OD2 ASP A 50 -14.357 -8.812 -11.389 1.00 71.21 O ATOM 0 H ASP A 50 -9.813 -8.036 -12.720 1.00 14.10 H new ATOM 0 HA ASP A 50 -11.064 -10.224 -11.196 1.00 12.52 H new ATOM 0 HB2 ASP A 50 -11.528 -7.927 -10.164 1.00 44.02 H new ATOM 0 HB3 ASP A 50 -12.228 -7.442 -11.695 1.00 44.02 H new ATOM 799 N PRO A 51 -12.266 -10.758 -13.424 1.00 44.45 N ATOM 800 CA PRO A 51 -12.899 -11.104 -14.726 1.00 51.34 C ATOM 801 C PRO A 51 -14.317 -10.501 -14.883 1.00 24.14 C ATOM 802 O PRO A 51 -15.163 -11.063 -15.589 1.00 52.54 O ATOM 803 CB PRO A 51 -13.009 -12.641 -14.663 1.00 21.32 C ATOM 804 CG PRO A 51 -12.230 -13.047 -13.462 1.00 41.42 C ATOM 805 CD PRO A 51 -12.272 -11.880 -12.532 1.00 73.54 C ATOM 0 HA PRO A 51 -12.320 -10.718 -15.565 1.00 51.34 H new ATOM 0 HB2 PRO A 51 -14.049 -12.957 -14.581 1.00 21.32 H new ATOM 0 HB3 PRO A 51 -12.606 -13.101 -15.566 1.00 21.32 H new ATOM 0 HG2 PRO A 51 -12.663 -13.933 -12.997 1.00 41.42 H new ATOM 0 HG3 PRO A 51 -11.203 -13.297 -13.729 1.00 41.42 H new ATOM 0 HD2 PRO A 51 -13.165 -11.894 -11.907 1.00 73.54 H new ATOM 0 HD3 PRO A 51 -11.413 -11.867 -11.861 1.00 73.54 H new ATOM 1207 N THR B 210 14.200 -2.875 -10.207 1.00 31.53 N ATOM 1208 CA THR B 210 13.354 -3.291 -9.155 1.00 73.04 C ATOM 1209 C THR B 210 12.053 -3.849 -9.749 1.00 55.34 C ATOM 1210 O THR B 210 11.143 -3.109 -10.155 1.00 33.12 O ATOM 1211 CB THR B 210 13.124 -2.156 -8.093 1.00 63.12 C ATOM 1212 OG1 THR B 210 12.313 -2.611 -7.000 1.00 24.44 O ATOM 1213 CG2 THR B 210 12.529 -0.895 -8.704 1.00 30.25 C ATOM 0 HA THR B 210 13.838 -4.092 -8.596 1.00 73.04 H new ATOM 0 HB THR B 210 14.111 -1.899 -7.708 1.00 63.12 H new ATOM 0 HG1 THR B 210 12.191 -1.881 -6.357 1.00 24.44 H new ATOM 0 HG21 THR B 210 12.391 -0.144 -7.926 1.00 30.25 H new ATOM 0 HG22 THR B 210 13.204 -0.507 -9.467 1.00 30.25 H new ATOM 0 HG23 THR B 210 11.566 -1.130 -9.157 1.00 30.25 H new ATOM 1221 N CYS B 211 11.991 -5.158 -9.863 1.00 44.32 N ATOM 1222 CA CYS B 211 10.834 -5.769 -10.434 1.00 42.11 C ATOM 1223 C CYS B 211 10.253 -6.692 -9.405 1.00 12.03 C ATOM 1224 O CYS B 211 10.985 -7.339 -8.642 1.00 2.13 O ATOM 1225 CB CYS B 211 11.178 -6.616 -11.677 1.00 33.20 C ATOM 1226 SG CYS B 211 12.331 -5.887 -12.929 1.00 12.14 S ATOM 0 H CYS B 211 12.724 -5.804 -9.569 1.00 44.32 H new ATOM 0 HA CYS B 211 10.143 -4.981 -10.734 1.00 42.11 H new ATOM 0 HB2 CYS B 211 11.609 -7.556 -11.332 1.00 33.20 H new ATOM 0 HB3 CYS B 211 10.245 -6.860 -12.184 1.00 33.20 H new ATOM 1231 N VAL B 212 8.974 -6.765 -9.387 1.00 34.14 N ATOM 1232 CA VAL B 212 8.239 -7.599 -8.486 1.00 1.33 C ATOM 1233 C VAL B 212 7.086 -8.236 -9.223 1.00 51.11 C ATOM 1234 O VAL B 212 6.457 -7.604 -10.069 1.00 63.24 O ATOM 1235 CB VAL B 212 7.782 -6.825 -7.210 1.00 0.02 C ATOM 1236 CG1 VAL B 212 8.936 -6.719 -6.219 1.00 4.43 C ATOM 1237 CG2 VAL B 212 7.357 -5.417 -7.591 1.00 10.44 C ATOM 0 H VAL B 212 8.380 -6.229 -10.020 1.00 34.14 H new ATOM 0 HA VAL B 212 8.894 -8.391 -8.124 1.00 1.33 H new ATOM 0 HB VAL B 212 6.950 -7.366 -6.758 1.00 0.02 H new ATOM 0 HG11 VAL B 212 8.606 -6.177 -5.333 1.00 4.43 H new ATOM 0 HG12 VAL B 212 9.263 -7.719 -5.933 1.00 4.43 H new ATOM 0 HG13 VAL B 212 9.766 -6.185 -6.682 1.00 4.43 H new ATOM 0 HG21 VAL B 212 7.038 -4.879 -6.698 1.00 10.44 H new ATOM 0 HG22 VAL B 212 8.197 -4.895 -8.049 1.00 10.44 H new ATOM 0 HG23 VAL B 212 6.530 -5.466 -8.300 1.00 10.44 H new ATOM 1247 N SER B 213 6.839 -9.482 -8.947 1.00 42.31 N ATOM 1248 CA SER B 213 5.862 -10.223 -9.685 1.00 73.30 C ATOM 1249 C SER B 213 5.079 -11.177 -8.809 1.00 13.33 C ATOM 1250 O SER B 213 5.655 -12.069 -8.166 1.00 21.53 O ATOM 1251 CB SER B 213 6.571 -10.980 -10.813 1.00 75.03 C ATOM 1252 OG SER B 213 7.651 -11.759 -10.298 1.00 1.53 O ATOM 0 H SER B 213 7.306 -10.010 -8.209 1.00 42.31 H new ATOM 0 HA SER B 213 5.137 -9.522 -10.099 1.00 73.30 H new ATOM 0 HB2 SER B 213 5.860 -11.629 -11.325 1.00 75.03 H new ATOM 0 HB3 SER B 213 6.947 -10.273 -11.552 1.00 75.03 H new ATOM 0 HG SER B 213 7.392 -12.149 -9.437 1.00 1.53 H new ATOM 1258 N LEU B 214 3.788 -10.989 -8.772 1.00 44.44 N ATOM 1259 CA LEU B 214 2.915 -11.906 -8.017 1.00 44.35 C ATOM 1260 C LEU B 214 1.931 -12.618 -8.890 1.00 14.33 C ATOM 1261 O LEU B 214 1.378 -12.042 -9.830 1.00 43.44 O ATOM 1262 CB LEU B 214 2.169 -11.239 -6.862 1.00 73.31 C ATOM 1263 CG LEU B 214 2.975 -10.893 -5.607 1.00 33.30 C ATOM 1264 CD1 LEU B 214 2.089 -10.185 -4.603 1.00 51.30 C ATOM 1265 CD2 LEU B 214 3.567 -12.148 -4.984 1.00 23.44 C ATOM 0 H LEU B 214 3.303 -10.225 -9.243 1.00 44.44 H new ATOM 0 HA LEU B 214 3.607 -12.634 -7.592 1.00 44.35 H new ATOM 0 HB2 LEU B 214 1.720 -10.320 -7.238 1.00 73.31 H new ATOM 0 HB3 LEU B 214 1.351 -11.896 -6.566 1.00 73.31 H new ATOM 0 HG LEU B 214 3.793 -10.232 -5.893 1.00 33.30 H new ATOM 0 HD11 LEU B 214 2.670 -9.942 -3.713 1.00 51.30 H new ATOM 0 HD12 LEU B 214 1.700 -9.267 -5.044 1.00 51.30 H new ATOM 0 HD13 LEU B 214 1.259 -10.835 -4.328 1.00 51.30 H new ATOM 0 HD21 LEU B 214 4.136 -11.879 -4.094 1.00 23.44 H new ATOM 0 HD22 LEU B 214 2.764 -12.831 -4.709 1.00 23.44 H new ATOM 0 HD23 LEU B 214 4.227 -12.634 -5.703 1.00 23.44 H new ATOM 1277 N THR B 215 1.713 -13.864 -8.574 1.00 55.44 N ATOM 1278 CA THR B 215 0.758 -14.673 -9.253 1.00 4.31 C ATOM 1279 C THR B 215 -0.581 -14.664 -8.523 1.00 22.54 C ATOM 1280 O THR B 215 -0.653 -14.922 -7.309 1.00 31.13 O ATOM 1281 CB THR B 215 1.282 -16.108 -9.437 1.00 33.14 C ATOM 1282 OG1 THR B 215 1.828 -16.593 -8.196 1.00 4.21 O ATOM 1283 CG2 THR B 215 2.343 -16.158 -10.520 1.00 51.23 C ATOM 0 H THR B 215 2.206 -14.348 -7.823 1.00 55.44 H new ATOM 0 HA THR B 215 0.600 -14.248 -10.244 1.00 4.31 H new ATOM 0 HB THR B 215 0.449 -16.743 -9.739 1.00 33.14 H new ATOM 0 HG1 THR B 215 1.282 -16.268 -7.449 1.00 4.21 H new ATOM 0 HG21 THR B 215 2.699 -17.182 -10.633 1.00 51.23 H new ATOM 0 HG22 THR B 215 1.917 -15.816 -11.463 1.00 51.23 H new ATOM 0 HG23 THR B 215 3.176 -15.512 -10.243 1.00 51.23 H new ATOM 1291 N THR B 216 -1.615 -14.371 -9.254 1.00 24.41 N ATOM 1292 CA THR B 216 -2.933 -14.264 -8.729 1.00 62.34 C ATOM 1293 C THR B 216 -3.913 -14.722 -9.809 1.00 20.02 C ATOM 1294 O THR B 216 -3.626 -14.567 -11.002 1.00 62.43 O ATOM 1295 CB THR B 216 -3.240 -12.789 -8.276 1.00 24.15 C ATOM 1296 OG1 THR B 216 -4.540 -12.704 -7.669 1.00 75.04 O ATOM 1297 CG2 THR B 216 -3.166 -11.809 -9.450 1.00 14.12 C ATOM 0 H THR B 216 -1.558 -14.196 -10.257 1.00 24.41 H new ATOM 0 HA THR B 216 -3.034 -14.895 -7.846 1.00 62.34 H new ATOM 0 HB THR B 216 -2.478 -12.514 -7.547 1.00 24.15 H new ATOM 0 HG1 THR B 216 -4.712 -11.780 -7.392 1.00 75.04 H new ATOM 0 HG21 THR B 216 -3.384 -10.801 -9.097 1.00 14.12 H new ATOM 0 HG22 THR B 216 -2.166 -11.834 -9.882 1.00 14.12 H new ATOM 0 HG23 THR B 216 -3.896 -12.094 -10.208 1.00 14.12 H new ATOM 1305 N GLN B 217 -5.036 -15.310 -9.388 1.00 51.23 N ATOM 1306 CA GLN B 217 -6.077 -15.823 -10.292 1.00 42.10 C ATOM 1307 C GLN B 217 -5.592 -17.076 -11.068 1.00 52.22 C ATOM 1308 O GLN B 217 -4.402 -17.451 -11.024 1.00 22.33 O ATOM 1309 CB GLN B 217 -6.589 -14.719 -11.269 1.00 33.30 C ATOM 1310 CG GLN B 217 -7.186 -13.473 -10.584 1.00 22.42 C ATOM 1311 CD GLN B 217 -8.494 -13.732 -9.839 1.00 13.31 C ATOM 1312 OE1 GLN B 217 -8.749 -14.829 -9.352 1.00 34.31 O ATOM 1313 NE2 GLN B 217 -9.317 -12.711 -9.724 1.00 61.44 N ATOM 0 H GLN B 217 -5.253 -15.446 -8.401 1.00 51.23 H new ATOM 0 HA GLN B 217 -6.919 -16.125 -9.669 1.00 42.10 H new ATOM 0 HB2 GLN B 217 -5.761 -14.405 -11.905 1.00 33.30 H new ATOM 0 HB3 GLN B 217 -7.345 -15.154 -11.922 1.00 33.30 H new ATOM 0 HG2 GLN B 217 -6.454 -13.073 -9.882 1.00 22.42 H new ATOM 0 HG3 GLN B 217 -7.357 -12.705 -11.338 1.00 22.42 H new ATOM 0 HE21 GLN B 217 -9.075 -11.812 -10.141 1.00 61.44 H new ATOM 0 HE22 GLN B 217 -10.196 -12.819 -9.218 1.00 61.44 H new ATOM 1322 N ARG B 218 -6.512 -17.742 -11.737 1.00 55.22 N ATOM 1323 CA ARG B 218 -6.163 -18.902 -12.550 1.00 43.52 C ATOM 1324 C ARG B 218 -6.743 -18.766 -13.949 1.00 2.11 C ATOM 1325 O ARG B 218 -6.743 -19.722 -14.735 1.00 70.51 O ATOM 1326 CB ARG B 218 -6.628 -20.223 -11.894 1.00 11.33 C ATOM 1327 CG ARG B 218 -8.132 -20.346 -11.679 1.00 10.04 C ATOM 1328 CD ARG B 218 -8.491 -21.698 -11.065 1.00 1.44 C ATOM 1329 NE ARG B 218 -9.932 -21.812 -10.802 1.00 14.42 N ATOM 1330 CZ ARG B 218 -10.503 -22.722 -9.993 1.00 42.14 C ATOM 1331 NH1 ARG B 218 -9.767 -23.668 -9.410 1.00 14.25 N ATOM 1332 NH2 ARG B 218 -11.815 -22.679 -9.777 1.00 62.32 N ATOM 0 H ARG B 218 -7.504 -17.505 -11.737 1.00 55.22 H new ATOM 0 HA ARG B 218 -5.076 -18.938 -12.622 1.00 43.52 H new ATOM 0 HB2 ARG B 218 -6.297 -21.055 -12.515 1.00 11.33 H new ATOM 0 HB3 ARG B 218 -6.130 -20.327 -10.930 1.00 11.33 H new ATOM 0 HG2 ARG B 218 -8.476 -19.544 -11.026 1.00 10.04 H new ATOM 0 HG3 ARG B 218 -8.650 -20.226 -12.631 1.00 10.04 H new ATOM 0 HD2 ARG B 218 -8.180 -22.497 -11.738 1.00 1.44 H new ATOM 0 HD3 ARG B 218 -7.940 -21.832 -10.134 1.00 1.44 H new ATOM 0 HE ARG B 218 -10.549 -21.148 -11.270 1.00 14.42 H new ATOM 0 HH11 ARG B 218 -8.761 -23.706 -9.576 1.00 14.25 H new ATOM 0 HH12 ARG B 218 -10.209 -24.354 -8.798 1.00 14.25 H new ATOM 0 HH21 ARG B 218 -12.382 -21.959 -10.224 1.00 62.32 H new ATOM 0 HH22 ARG B 218 -12.254 -23.366 -9.164 1.00 62.32 H new ATOM 1346 N LEU B 219 -7.199 -17.574 -14.265 1.00 32.35 N ATOM 1347 CA LEU B 219 -7.798 -17.299 -15.553 1.00 2.10 C ATOM 1348 C LEU B 219 -6.726 -16.805 -16.519 1.00 1.13 C ATOM 1349 O LEU B 219 -6.215 -15.695 -16.356 1.00 34.14 O ATOM 1350 CB LEU B 219 -8.906 -16.243 -15.414 1.00 3.53 C ATOM 1351 CG LEU B 219 -9.647 -15.865 -16.704 1.00 22.22 C ATOM 1352 CD1 LEU B 219 -10.390 -17.059 -17.279 1.00 43.31 C ATOM 1353 CD2 LEU B 219 -10.598 -14.712 -16.455 1.00 74.21 C ATOM 0 H LEU B 219 -7.165 -16.770 -13.638 1.00 32.35 H new ATOM 0 HA LEU B 219 -8.240 -18.216 -15.941 1.00 2.10 H new ATOM 0 HB2 LEU B 219 -9.638 -16.607 -14.693 1.00 3.53 H new ATOM 0 HB3 LEU B 219 -8.467 -15.338 -14.994 1.00 3.53 H new ATOM 0 HG LEU B 219 -8.905 -15.548 -17.437 1.00 22.22 H new ATOM 0 HD11 LEU B 219 -10.905 -16.761 -18.192 1.00 43.31 H new ATOM 0 HD12 LEU B 219 -9.680 -17.854 -17.506 1.00 43.31 H new ATOM 0 HD13 LEU B 219 -11.118 -17.419 -16.552 1.00 43.31 H new ATOM 0 HD21 LEU B 219 -11.114 -14.459 -17.381 1.00 74.21 H new ATOM 0 HD22 LEU B 219 -11.329 -15.000 -15.700 1.00 74.21 H new ATOM 0 HD23 LEU B 219 -10.036 -13.846 -16.104 1.00 74.21 H new ATOM 1365 N PRO B 220 -6.371 -17.623 -17.537 1.00 63.14 N ATOM 1366 CA PRO B 220 -5.332 -17.274 -18.506 1.00 40.53 C ATOM 1367 C PRO B 220 -5.674 -16.007 -19.283 1.00 45.23 C ATOM 1368 O PRO B 220 -6.857 -15.703 -19.535 1.00 3.53 O ATOM 1369 CB PRO B 220 -5.289 -18.481 -19.454 1.00 2.42 C ATOM 1370 CG PRO B 220 -5.927 -19.587 -18.694 1.00 25.12 C ATOM 1371 CD PRO B 220 -6.960 -18.943 -17.827 1.00 55.55 C ATOM 0 HA PRO B 220 -4.379 -17.070 -18.018 1.00 40.53 H new ATOM 0 HB2 PRO B 220 -5.827 -18.276 -20.379 1.00 2.42 H new ATOM 0 HB3 PRO B 220 -4.264 -18.731 -19.730 1.00 2.42 H new ATOM 0 HG2 PRO B 220 -6.380 -20.314 -19.368 1.00 25.12 H new ATOM 0 HG3 PRO B 220 -5.192 -20.124 -18.094 1.00 25.12 H new ATOM 0 HD2 PRO B 220 -7.918 -18.854 -18.339 1.00 55.55 H new ATOM 0 HD3 PRO B 220 -7.137 -19.515 -16.916 1.00 55.55 H new ATOM 1379 N VAL B 221 -4.661 -15.274 -19.665 1.00 63.52 N ATOM 1380 CA VAL B 221 -4.854 -14.045 -20.397 1.00 21.14 C ATOM 1381 C VAL B 221 -4.518 -14.252 -21.856 1.00 75.12 C ATOM 1382 O VAL B 221 -3.895 -15.251 -22.223 1.00 70.20 O ATOM 1383 CB VAL B 221 -4.000 -12.865 -19.836 1.00 52.21 C ATOM 1384 CG1 VAL B 221 -4.286 -12.633 -18.359 1.00 45.22 C ATOM 1385 CG2 VAL B 221 -2.503 -13.079 -20.082 1.00 12.42 C ATOM 0 H VAL B 221 -3.685 -15.508 -19.480 1.00 63.52 H new ATOM 0 HA VAL B 221 -5.904 -13.775 -20.282 1.00 21.14 H new ATOM 0 HB VAL B 221 -4.293 -11.967 -20.380 1.00 52.21 H new ATOM 0 HG11 VAL B 221 -3.677 -11.805 -17.996 1.00 45.22 H new ATOM 0 HG12 VAL B 221 -5.341 -12.393 -18.226 1.00 45.22 H new ATOM 0 HG13 VAL B 221 -4.045 -13.535 -17.796 1.00 45.22 H new ATOM 0 HG21 VAL B 221 -1.944 -12.236 -19.677 1.00 12.42 H new ATOM 0 HG22 VAL B 221 -2.181 -13.998 -19.591 1.00 12.42 H new ATOM 0 HG23 VAL B 221 -2.318 -13.156 -21.153 1.00 12.42 H new ATOM 1395 N SER B 222 -4.963 -13.359 -22.680 1.00 61.51 N ATOM 1396 CA SER B 222 -4.609 -13.389 -24.062 1.00 34.14 C ATOM 1397 C SER B 222 -3.525 -12.345 -24.315 1.00 3.12 C ATOM 1398 O SER B 222 -3.787 -11.134 -24.196 1.00 65.42 O ATOM 1399 CB SER B 222 -5.844 -13.126 -24.923 1.00 54.00 C ATOM 1400 OG SER B 222 -6.855 -14.106 -24.669 1.00 3.15 O ATOM 0 H SER B 222 -5.580 -12.591 -22.415 1.00 61.51 H new ATOM 0 HA SER B 222 -4.221 -14.372 -24.330 1.00 34.14 H new ATOM 0 HB2 SER B 222 -6.235 -12.130 -24.713 1.00 54.00 H new ATOM 0 HB3 SER B 222 -5.569 -13.145 -25.978 1.00 54.00 H new ATOM 0 HG SER B 222 -7.638 -13.920 -25.228 1.00 3.15 H new ATOM 1406 N ARG B 223 -2.311 -12.829 -24.613 1.00 10.24 N ATOM 1407 CA ARG B 223 -1.129 -11.999 -24.894 1.00 45.22 C ATOM 1408 C ARG B 223 -0.497 -11.406 -23.624 1.00 13.43 C ATOM 1409 O ARG B 223 -1.126 -10.629 -22.896 1.00 61.21 O ATOM 1410 CB ARG B 223 -1.422 -10.893 -25.952 1.00 31.21 C ATOM 1411 CG ARG B 223 -0.257 -9.944 -26.229 1.00 13.14 C ATOM 1412 CD ARG B 223 0.956 -10.679 -26.775 1.00 24.24 C ATOM 1413 NE ARG B 223 0.693 -11.294 -28.074 1.00 22.31 N ATOM 1414 CZ ARG B 223 1.543 -12.097 -28.728 1.00 22.23 C ATOM 1415 NH1 ARG B 223 2.663 -12.496 -28.147 1.00 72.12 N ATOM 1416 NH2 ARG B 223 1.248 -12.518 -29.951 1.00 24.10 N ATOM 0 H ARG B 223 -2.118 -13.829 -24.667 1.00 10.24 H new ATOM 0 HA ARG B 223 -0.390 -12.675 -25.324 1.00 45.22 H new ATOM 0 HB2 ARG B 223 -1.711 -11.373 -26.887 1.00 31.21 H new ATOM 0 HB3 ARG B 223 -2.277 -10.307 -25.616 1.00 31.21 H new ATOM 0 HG2 ARG B 223 -0.571 -9.182 -26.942 1.00 13.14 H new ATOM 0 HG3 ARG B 223 0.016 -9.426 -25.309 1.00 13.14 H new ATOM 0 HD2 ARG B 223 1.789 -9.982 -26.867 1.00 24.24 H new ATOM 0 HD3 ARG B 223 1.261 -11.449 -26.066 1.00 24.24 H new ATOM 0 HE ARG B 223 -0.205 -11.097 -28.516 1.00 22.31 H new ATOM 0 HH11 ARG B 223 2.882 -12.192 -27.198 1.00 72.12 H new ATOM 0 HH12 ARG B 223 3.308 -13.107 -28.648 1.00 72.12 H new ATOM 0 HH21 ARG B 223 0.375 -12.230 -30.393 1.00 24.10 H new ATOM 0 HH22 ARG B 223 1.894 -13.129 -30.450 1.00 24.10 H new ATOM 1430 N ILE B 224 0.755 -11.782 -23.373 1.00 43.00 N ATOM 1431 CA ILE B 224 1.531 -11.214 -22.276 1.00 65.10 C ATOM 1432 C ILE B 224 1.943 -9.835 -22.748 1.00 4.21 C ATOM 1433 O ILE B 224 2.754 -9.704 -23.674 1.00 70.35 O ATOM 1434 CB ILE B 224 2.828 -12.046 -21.989 1.00 74.23 C ATOM 1435 CG1 ILE B 224 2.519 -13.551 -21.761 1.00 14.21 C ATOM 1436 CG2 ILE B 224 3.596 -11.468 -20.797 1.00 3.34 C ATOM 1437 CD1 ILE B 224 1.652 -13.860 -20.584 1.00 52.41 C ATOM 0 H ILE B 224 1.256 -12.483 -23.920 1.00 43.00 H new ATOM 0 HA ILE B 224 0.940 -11.204 -21.360 1.00 65.10 H new ATOM 0 HB ILE B 224 3.456 -11.973 -22.877 1.00 74.23 H new ATOM 0 HG12 ILE B 224 2.039 -13.945 -22.657 1.00 14.21 H new ATOM 0 HG13 ILE B 224 3.463 -14.084 -21.645 1.00 14.21 H new ATOM 0 HG21 ILE B 224 4.492 -12.063 -20.618 1.00 3.34 H new ATOM 0 HG22 ILE B 224 3.881 -10.438 -21.013 1.00 3.34 H new ATOM 0 HG23 ILE B 224 2.962 -11.491 -19.910 1.00 3.34 H new ATOM 0 HD11 ILE B 224 1.499 -14.937 -20.517 1.00 52.41 H new ATOM 0 HD12 ILE B 224 2.134 -13.505 -19.673 1.00 52.41 H new ATOM 0 HD13 ILE B 224 0.689 -13.364 -20.701 1.00 52.41 H new ATOM 1449 N LYS B 225 1.376 -8.834 -22.168 1.00 54.44 N ATOM 1450 CA LYS B 225 1.594 -7.496 -22.634 1.00 2.40 C ATOM 1451 C LYS B 225 2.235 -6.660 -21.574 1.00 41.24 C ATOM 1452 O LYS B 225 2.210 -7.021 -20.391 1.00 74.24 O ATOM 1453 CB LYS B 225 0.269 -6.901 -23.043 1.00 50.33 C ATOM 1454 CG LYS B 225 -0.715 -6.753 -21.907 1.00 45.45 C ATOM 1455 CD LYS B 225 -2.055 -6.371 -22.434 1.00 12.21 C ATOM 1456 CE LYS B 225 -2.674 -7.531 -23.188 1.00 61.24 C ATOM 1457 NZ LYS B 225 -3.777 -7.110 -24.040 1.00 65.41 N ATOM 0 H LYS B 225 0.753 -8.911 -21.364 1.00 54.44 H new ATOM 0 HA LYS B 225 2.268 -7.519 -23.490 1.00 2.40 H new ATOM 0 HB2 LYS B 225 0.444 -5.922 -23.488 1.00 50.33 H new ATOM 0 HB3 LYS B 225 -0.176 -7.528 -23.816 1.00 50.33 H new ATOM 0 HG2 LYS B 225 -0.787 -7.690 -21.354 1.00 45.45 H new ATOM 0 HG3 LYS B 225 -0.362 -5.996 -21.207 1.00 45.45 H new ATOM 0 HD2 LYS B 225 -2.706 -6.074 -21.611 1.00 12.21 H new ATOM 0 HD3 LYS B 225 -1.962 -5.508 -23.093 1.00 12.21 H new ATOM 0 HE2 LYS B 225 -1.910 -8.014 -23.798 1.00 61.24 H new ATOM 0 HE3 LYS B 225 -3.031 -8.275 -22.476 1.00 61.24 H new ATOM 0 HZ1 LYS B 225 -4.385 -7.927 -24.251 1.00 65.41 H new ATOM 0 HZ2 LYS B 225 -4.335 -6.381 -23.551 1.00 65.41 H new ATOM 0 HZ3 LYS B 225 -3.401 -6.720 -24.928 1.00 65.41 H new ATOM 1471 N THR B 226 2.803 -5.557 -21.986 1.00 31.02 N ATOM 1472 CA THR B 226 3.438 -4.659 -21.087 1.00 20.52 C ATOM 1473 C THR B 226 2.817 -3.261 -21.122 1.00 41.24 C ATOM 1474 O THR B 226 2.538 -2.708 -22.196 1.00 14.03 O ATOM 1475 CB THR B 226 4.969 -4.594 -21.317 1.00 71.43 C ATOM 1476 OG1 THR B 226 5.266 -4.410 -22.719 1.00 63.52 O ATOM 1477 CG2 THR B 226 5.656 -5.850 -20.803 1.00 63.53 C ATOM 0 H THR B 226 2.833 -5.264 -22.963 1.00 31.02 H new ATOM 0 HA THR B 226 3.270 -5.061 -20.088 1.00 20.52 H new ATOM 0 HB THR B 226 5.351 -3.739 -20.758 1.00 71.43 H new ATOM 0 HG1 THR B 226 6.237 -4.370 -22.845 1.00 63.52 H new ATOM 0 HG21 THR B 226 6.729 -5.775 -20.978 1.00 63.53 H new ATOM 0 HG22 THR B 226 5.469 -5.955 -19.734 1.00 63.53 H new ATOM 0 HG23 THR B 226 5.262 -6.721 -21.328 1.00 63.53 H new ATOM 1485 N TYR B 227 2.563 -2.730 -19.954 1.00 52.14 N ATOM 1486 CA TYR B 227 2.093 -1.369 -19.802 1.00 1.12 C ATOM 1487 C TYR B 227 3.186 -0.536 -19.225 1.00 63.10 C ATOM 1488 O TYR B 227 3.882 -0.976 -18.322 1.00 53.51 O ATOM 1489 CB TYR B 227 0.843 -1.287 -18.904 1.00 23.32 C ATOM 1490 CG TYR B 227 -0.428 -1.735 -19.576 1.00 23.31 C ATOM 1491 CD1 TYR B 227 -0.737 -3.075 -19.743 1.00 41.11 C ATOM 1492 CD2 TYR B 227 -1.316 -0.794 -20.061 1.00 5.23 C ATOM 1493 CE1 TYR B 227 -1.899 -3.459 -20.381 1.00 71.42 C ATOM 1494 CE2 TYR B 227 -2.475 -1.163 -20.688 1.00 33.31 C ATOM 1495 CZ TYR B 227 -2.771 -2.492 -20.853 1.00 43.54 C ATOM 1496 OH TYR B 227 -3.930 -2.846 -21.515 1.00 74.13 O ATOM 0 H TYR B 227 2.676 -3.230 -19.072 1.00 52.14 H new ATOM 0 HA TYR B 227 1.812 -0.996 -20.787 1.00 1.12 H new ATOM 0 HB2 TYR B 227 1.006 -1.898 -18.016 1.00 23.32 H new ATOM 0 HB3 TYR B 227 0.719 -0.258 -18.565 1.00 23.32 H new ATOM 0 HD1 TYR B 227 -0.060 -3.829 -19.369 1.00 41.11 H new ATOM 0 HD2 TYR B 227 -1.090 0.256 -19.943 1.00 5.23 H new ATOM 0 HE1 TYR B 227 -2.127 -4.507 -20.511 1.00 71.42 H new ATOM 0 HE2 TYR B 227 -3.156 -0.408 -21.053 1.00 33.31 H new ATOM 0 HH TYR B 227 -4.448 -3.466 -20.960 1.00 74.13 H new ATOM 1506 N THR B 228 3.356 0.639 -19.750 1.00 1.31 N ATOM 1507 CA THR B 228 4.359 1.530 -19.278 1.00 44.20 C ATOM 1508 C THR B 228 3.763 2.698 -18.521 1.00 32.20 C ATOM 1509 O THR B 228 2.908 3.447 -19.028 1.00 25.11 O ATOM 1510 CB THR B 228 5.270 2.033 -20.415 1.00 72.44 C ATOM 1511 OG1 THR B 228 4.480 2.424 -21.551 1.00 42.02 O ATOM 1512 CG2 THR B 228 6.302 0.990 -20.811 1.00 51.34 C ATOM 0 H THR B 228 2.798 1.004 -20.522 1.00 1.31 H new ATOM 0 HA THR B 228 4.976 0.957 -18.586 1.00 44.20 H new ATOM 0 HB THR B 228 5.813 2.904 -20.047 1.00 72.44 H new ATOM 0 HG1 THR B 228 5.070 2.743 -22.265 1.00 42.02 H new ATOM 0 HG21 THR B 228 6.925 1.382 -21.615 1.00 51.34 H new ATOM 0 HG22 THR B 228 6.927 0.752 -19.951 1.00 51.34 H new ATOM 0 HG23 THR B 228 5.795 0.087 -21.152 1.00 51.34 H new ATOM 1520 N ILE B 229 4.187 2.822 -17.316 1.00 60.15 N ATOM 1521 CA ILE B 229 3.797 3.884 -16.453 1.00 4.35 C ATOM 1522 C ILE B 229 4.921 4.888 -16.402 1.00 23.15 C ATOM 1523 O ILE B 229 6.063 4.510 -16.365 1.00 72.43 O ATOM 1524 CB ILE B 229 3.497 3.341 -15.027 1.00 10.31 C ATOM 1525 CG1 ILE B 229 2.254 2.461 -15.037 1.00 5.53 C ATOM 1526 CG2 ILE B 229 3.369 4.449 -14.028 1.00 71.53 C ATOM 1527 CD1 ILE B 229 1.904 1.845 -13.709 1.00 31.24 C ATOM 0 H ILE B 229 4.838 2.165 -16.886 1.00 60.15 H new ATOM 0 HA ILE B 229 2.890 4.356 -16.831 1.00 4.35 H new ATOM 0 HB ILE B 229 4.345 2.729 -14.720 1.00 10.31 H new ATOM 0 HG12 ILE B 229 1.408 3.056 -15.379 1.00 5.53 H new ATOM 0 HG13 ILE B 229 2.397 1.663 -15.765 1.00 5.53 H new ATOM 0 HG21 ILE B 229 3.159 4.029 -13.044 1.00 71.53 H new ATOM 0 HG22 ILE B 229 4.300 5.015 -13.991 1.00 71.53 H new ATOM 0 HG23 ILE B 229 2.554 5.111 -14.321 1.00 71.53 H new ATOM 0 HD11 ILE B 229 1.006 1.237 -13.816 1.00 31.24 H new ATOM 0 HD12 ILE B 229 2.729 1.218 -13.370 1.00 31.24 H new ATOM 0 HD13 ILE B 229 1.724 2.634 -12.978 1.00 31.24 H new ATOM 1539 N THR B 230 4.594 6.126 -16.441 1.00 14.22 N ATOM 1540 CA THR B 230 5.565 7.185 -16.382 1.00 23.13 C ATOM 1541 C THR B 230 5.110 8.243 -15.408 1.00 32.02 C ATOM 1542 O THR B 230 4.418 9.193 -15.779 1.00 62.02 O ATOM 1543 CB THR B 230 5.904 7.811 -17.774 1.00 20.24 C ATOM 1544 OG1 THR B 230 4.705 8.250 -18.438 1.00 60.42 O ATOM 1545 CG2 THR B 230 6.643 6.819 -18.662 1.00 53.23 C ATOM 0 H THR B 230 3.630 6.451 -16.516 1.00 14.22 H new ATOM 0 HA THR B 230 6.495 6.738 -16.032 1.00 23.13 H new ATOM 0 HB THR B 230 6.553 8.669 -17.597 1.00 20.24 H new ATOM 0 HG1 THR B 230 4.139 8.737 -17.803 1.00 60.42 H new ATOM 0 HG21 THR B 230 6.864 7.285 -19.622 1.00 53.23 H new ATOM 0 HG22 THR B 230 7.574 6.522 -18.180 1.00 53.23 H new ATOM 0 HG23 THR B 230 6.020 5.939 -18.821 1.00 53.23 H new ATOM 1553 N GLU B 231 5.424 8.055 -14.143 1.00 64.21 N ATOM 1554 CA GLU B 231 4.958 8.984 -13.154 1.00 73.21 C ATOM 1555 C GLU B 231 6.103 9.719 -12.536 1.00 73.42 C ATOM 1556 O GLU B 231 6.780 9.194 -11.657 1.00 21.25 O ATOM 1557 CB GLU B 231 4.142 8.293 -12.049 1.00 24.14 C ATOM 1558 CG GLU B 231 3.045 7.382 -12.550 1.00 51.21 C ATOM 1559 CD GLU B 231 2.194 8.016 -13.623 1.00 15.03 C ATOM 1560 OE1 GLU B 231 1.699 9.136 -13.413 1.00 41.14 O ATOM 1561 OE2 GLU B 231 1.993 7.396 -14.668 1.00 72.23 O ATOM 0 H GLU B 231 5.988 7.283 -13.788 1.00 64.21 H new ATOM 0 HA GLU B 231 4.306 9.689 -13.670 1.00 73.21 H new ATOM 0 HB2 GLU B 231 4.821 7.712 -11.424 1.00 24.14 H new ATOM 0 HB3 GLU B 231 3.698 9.058 -11.412 1.00 24.14 H new ATOM 0 HG2 GLU B 231 3.491 6.467 -12.941 1.00 51.21 H new ATOM 0 HG3 GLU B 231 2.409 7.094 -11.713 1.00 51.21 H new ATOM 1568 N GLY B 232 6.334 10.917 -13.006 1.00 72.34 N ATOM 1569 CA GLY B 232 7.372 11.735 -12.448 1.00 34.42 C ATOM 1570 C GLY B 232 8.764 11.162 -12.683 1.00 42.01 C ATOM 1571 O GLY B 232 9.512 10.939 -11.725 1.00 64.01 O ATOM 0 H GLY B 232 5.816 11.345 -13.773 1.00 72.34 H new ATOM 0 HA2 GLY B 232 7.316 12.733 -12.884 1.00 34.42 H new ATOM 0 HA3 GLY B 232 7.205 11.845 -11.376 1.00 34.42 H new ATOM 1575 N SER B 233 9.089 10.904 -13.967 1.00 3.34 N ATOM 1576 CA SER B 233 10.400 10.373 -14.399 1.00 62.22 C ATOM 1577 C SER B 233 10.604 8.903 -13.991 1.00 12.13 C ATOM 1578 O SER B 233 11.721 8.376 -14.021 1.00 64.04 O ATOM 1579 CB SER B 233 11.546 11.267 -13.901 1.00 43.10 C ATOM 1580 OG SER B 233 11.401 12.590 -14.405 1.00 63.40 O ATOM 0 H SER B 233 8.443 11.060 -14.741 1.00 3.34 H new ATOM 0 HA SER B 233 10.410 10.391 -15.489 1.00 62.22 H new ATOM 0 HB2 SER B 233 11.553 11.285 -12.811 1.00 43.10 H new ATOM 0 HB3 SER B 233 12.503 10.853 -14.219 1.00 43.10 H new ATOM 0 HG SER B 233 12.138 13.147 -14.077 1.00 63.40 H new ATOM 1586 N LEU B 234 9.515 8.246 -13.687 1.00 11.12 N ATOM 1587 CA LEU B 234 9.514 6.863 -13.278 1.00 45.01 C ATOM 1588 C LEU B 234 8.864 6.061 -14.377 1.00 5.12 C ATOM 1589 O LEU B 234 7.757 6.363 -14.758 1.00 33.24 O ATOM 1590 CB LEU B 234 8.700 6.760 -11.945 1.00 51.01 C ATOM 1591 CG LEU B 234 8.504 5.380 -11.247 1.00 72.21 C ATOM 1592 CD1 LEU B 234 7.603 4.433 -12.038 1.00 64.21 C ATOM 1593 CD2 LEU B 234 9.842 4.733 -10.947 1.00 12.25 C ATOM 0 H LEU B 234 8.585 8.664 -13.717 1.00 11.12 H new ATOM 0 HA LEU B 234 10.520 6.480 -13.108 1.00 45.01 H new ATOM 0 HB2 LEU B 234 9.179 7.422 -11.223 1.00 51.01 H new ATOM 0 HB3 LEU B 234 7.708 7.166 -12.141 1.00 51.01 H new ATOM 0 HG LEU B 234 7.991 5.578 -10.306 1.00 72.21 H new ATOM 0 HD11 LEU B 234 7.506 3.490 -11.500 1.00 64.21 H new ATOM 0 HD12 LEU B 234 6.618 4.885 -12.160 1.00 64.21 H new ATOM 0 HD13 LEU B 234 8.041 4.248 -13.019 1.00 64.21 H new ATOM 0 HD21 LEU B 234 9.680 3.771 -10.460 1.00 12.25 H new ATOM 0 HD22 LEU B 234 10.389 4.581 -11.877 1.00 12.25 H new ATOM 0 HD23 LEU B 234 10.420 5.381 -10.288 1.00 12.25 H new ATOM 1605 N ARG B 235 9.541 5.045 -14.878 1.00 61.22 N ATOM 1606 CA ARG B 235 8.971 4.215 -15.939 1.00 72.12 C ATOM 1607 C ARG B 235 8.668 2.855 -15.415 1.00 72.12 C ATOM 1608 O ARG B 235 9.557 2.139 -15.059 1.00 42.21 O ATOM 1609 CB ARG B 235 9.916 4.083 -17.114 1.00 52.21 C ATOM 1610 CG ARG B 235 10.293 5.383 -17.735 1.00 13.35 C ATOM 1611 CD ARG B 235 11.149 5.169 -18.945 1.00 33.15 C ATOM 1612 NE ARG B 235 11.577 6.457 -19.492 1.00 22.21 N ATOM 1613 CZ ARG B 235 11.036 7.083 -20.535 1.00 44.04 C ATOM 1614 NH1 ARG B 235 10.031 6.533 -21.219 1.00 12.45 N ATOM 1615 NH2 ARG B 235 11.497 8.273 -20.875 1.00 33.11 N ATOM 0 H ARG B 235 10.476 4.771 -14.576 1.00 61.22 H new ATOM 0 HA ARG B 235 8.058 4.703 -16.278 1.00 72.12 H new ATOM 0 HB2 ARG B 235 10.821 3.573 -16.784 1.00 52.21 H new ATOM 0 HB3 ARG B 235 9.452 3.451 -17.871 1.00 52.21 H new ATOM 0 HG2 ARG B 235 9.393 5.932 -18.013 1.00 13.35 H new ATOM 0 HG3 ARG B 235 10.828 5.995 -17.010 1.00 13.35 H new ATOM 0 HD2 ARG B 235 12.020 4.569 -18.682 1.00 33.15 H new ATOM 0 HD3 ARG B 235 10.594 4.611 -19.699 1.00 33.15 H new ATOM 0 HE ARG B 235 12.362 6.918 -19.032 1.00 22.21 H new ATOM 0 HH11 ARG B 235 9.667 5.621 -20.945 1.00 12.45 H new ATOM 0 HH12 ARG B 235 9.627 7.025 -22.016 1.00 12.45 H new ATOM 0 HH21 ARG B 235 12.255 8.698 -20.341 1.00 33.11 H new ATOM 0 HH22 ARG B 235 11.095 8.767 -21.671 1.00 33.11 H new ATOM 1629 N CYS B 236 7.442 2.494 -15.367 1.00 44.45 N ATOM 1630 CA CYS B 236 7.115 1.217 -14.845 1.00 71.04 C ATOM 1631 C CYS B 236 6.606 0.342 -15.947 1.00 42.14 C ATOM 1632 O CYS B 236 5.844 0.784 -16.780 1.00 34.11 O ATOM 1633 CB CYS B 236 6.098 1.310 -13.732 1.00 13.14 C ATOM 1634 SG CYS B 236 6.300 -0.043 -12.500 1.00 41.43 S ATOM 0 H CYS B 236 6.651 3.057 -15.679 1.00 44.45 H new ATOM 0 HA CYS B 236 8.019 0.781 -14.420 1.00 71.04 H new ATOM 0 HB2 CYS B 236 6.195 2.274 -13.232 1.00 13.14 H new ATOM 0 HB3 CYS B 236 5.094 1.269 -14.154 1.00 13.14 H new ATOM 1639 N VAL B 237 7.047 -0.872 -15.959 1.00 61.50 N ATOM 1640 CA VAL B 237 6.670 -1.816 -16.967 1.00 64.32 C ATOM 1641 C VAL B 237 5.861 -2.905 -16.302 1.00 10.51 C ATOM 1642 O VAL B 237 6.308 -3.497 -15.322 1.00 32.34 O ATOM 1643 CB VAL B 237 7.917 -2.441 -17.629 1.00 70.12 C ATOM 1644 CG1 VAL B 237 7.531 -3.343 -18.782 1.00 31.13 C ATOM 1645 CG2 VAL B 237 8.908 -1.374 -18.069 1.00 0.12 C ATOM 0 H VAL B 237 7.689 -1.245 -15.260 1.00 61.50 H new ATOM 0 HA VAL B 237 6.091 -1.312 -17.741 1.00 64.32 H new ATOM 0 HB VAL B 237 8.413 -3.057 -16.879 1.00 70.12 H new ATOM 0 HG11 VAL B 237 8.430 -3.768 -19.228 1.00 31.13 H new ATOM 0 HG12 VAL B 237 6.892 -4.147 -18.417 1.00 31.13 H new ATOM 0 HG13 VAL B 237 6.993 -2.764 -19.532 1.00 31.13 H new ATOM 0 HG21 VAL B 237 9.773 -1.849 -18.531 1.00 0.12 H new ATOM 0 HG22 VAL B 237 8.431 -0.710 -18.790 1.00 0.12 H new ATOM 0 HG23 VAL B 237 9.230 -0.797 -17.202 1.00 0.12 H new ATOM 1655 N ILE B 238 4.692 -3.153 -16.805 1.00 35.12 N ATOM 1656 CA ILE B 238 3.814 -4.135 -16.224 1.00 64.53 C ATOM 1657 C ILE B 238 3.587 -5.255 -17.204 1.00 74.32 C ATOM 1658 O ILE B 238 3.053 -5.039 -18.273 1.00 63.44 O ATOM 1659 CB ILE B 238 2.442 -3.512 -15.915 1.00 33.33 C ATOM 1660 CG1 ILE B 238 2.599 -2.261 -15.058 1.00 0.42 C ATOM 1661 CG2 ILE B 238 1.525 -4.535 -15.223 1.00 55.22 C ATOM 1662 CD1 ILE B 238 1.302 -1.556 -14.811 1.00 2.12 C ATOM 0 H ILE B 238 4.315 -2.684 -17.629 1.00 35.12 H new ATOM 0 HA ILE B 238 4.278 -4.503 -15.309 1.00 64.53 H new ATOM 0 HB ILE B 238 1.978 -3.222 -16.858 1.00 33.33 H new ATOM 0 HG12 ILE B 238 3.045 -2.536 -14.102 1.00 0.42 H new ATOM 0 HG13 ILE B 238 3.291 -1.576 -15.548 1.00 0.42 H new ATOM 0 HG21 ILE B 238 0.560 -4.075 -15.013 1.00 55.22 H new ATOM 0 HG22 ILE B 238 1.382 -5.396 -15.876 1.00 55.22 H new ATOM 0 HG23 ILE B 238 1.983 -4.860 -14.289 1.00 55.22 H new ATOM 0 HD11 ILE B 238 1.479 -0.674 -14.195 1.00 2.12 H new ATOM 0 HD12 ILE B 238 0.866 -1.253 -15.763 1.00 2.12 H new ATOM 0 HD13 ILE B 238 0.616 -2.227 -14.295 1.00 2.12 H new ATOM 1674 N PHE B 239 3.985 -6.423 -16.822 1.00 15.30 N ATOM 1675 CA PHE B 239 3.801 -7.614 -17.593 1.00 33.23 C ATOM 1676 C PHE B 239 2.552 -8.316 -17.125 1.00 12.12 C ATOM 1677 O PHE B 239 2.487 -8.756 -15.962 1.00 64.50 O ATOM 1678 CB PHE B 239 4.982 -8.560 -17.400 1.00 2.15 C ATOM 1679 CG PHE B 239 6.266 -8.121 -18.015 1.00 2.35 C ATOM 1680 CD1 PHE B 239 7.030 -7.114 -17.444 1.00 31.14 C ATOM 1681 CD2 PHE B 239 6.715 -8.725 -19.174 1.00 10.41 C ATOM 1682 CE1 PHE B 239 8.219 -6.722 -18.027 1.00 23.11 C ATOM 1683 CE2 PHE B 239 7.894 -8.342 -19.761 1.00 73.24 C ATOM 1684 CZ PHE B 239 8.652 -7.336 -19.191 1.00 72.40 C ATOM 0 H PHE B 239 4.463 -6.583 -15.936 1.00 15.30 H new ATOM 0 HA PHE B 239 3.721 -7.341 -18.645 1.00 33.23 H new ATOM 0 HB2 PHE B 239 5.141 -8.700 -16.331 1.00 2.15 H new ATOM 0 HB3 PHE B 239 4.716 -9.533 -17.813 1.00 2.15 H new ATOM 0 HD1 PHE B 239 6.693 -6.633 -16.538 1.00 31.14 H new ATOM 0 HD2 PHE B 239 6.128 -9.511 -19.625 1.00 10.41 H new ATOM 0 HE1 PHE B 239 8.810 -5.938 -17.576 1.00 23.11 H new ATOM 0 HE2 PHE B 239 8.230 -8.825 -20.667 1.00 73.24 H new ATOM 0 HZ PHE B 239 9.579 -7.030 -19.652 1.00 72.40 H new ATOM 1694 N ILE B 240 1.563 -8.415 -17.974 1.00 4.43 N ATOM 1695 CA ILE B 240 0.370 -9.136 -17.599 1.00 55.51 C ATOM 1696 C ILE B 240 0.562 -10.544 -18.056 1.00 70.43 C ATOM 1697 O ILE B 240 0.709 -10.783 -19.254 1.00 34.25 O ATOM 1698 CB ILE B 240 -0.912 -8.612 -18.301 1.00 72.43 C ATOM 1699 CG1 ILE B 240 -0.988 -7.092 -18.247 1.00 51.30 C ATOM 1700 CG2 ILE B 240 -2.154 -9.241 -17.664 1.00 32.34 C ATOM 1701 CD1 ILE B 240 -2.307 -6.530 -18.722 1.00 31.14 C ATOM 0 H ILE B 240 1.555 -8.015 -18.912 1.00 4.43 H new ATOM 0 HA ILE B 240 0.233 -9.024 -16.523 1.00 55.51 H new ATOM 0 HB ILE B 240 -0.871 -8.902 -19.351 1.00 72.43 H new ATOM 0 HG12 ILE B 240 -0.812 -6.765 -17.222 1.00 51.30 H new ATOM 0 HG13 ILE B 240 -0.186 -6.676 -18.856 1.00 51.30 H new ATOM 0 HG21 ILE B 240 -3.048 -8.867 -18.163 1.00 32.34 H new ATOM 0 HG22 ILE B 240 -2.107 -10.325 -17.768 1.00 32.34 H new ATOM 0 HG23 ILE B 240 -2.193 -8.979 -16.607 1.00 32.34 H new ATOM 0 HD11 ILE B 240 -2.285 -5.442 -18.654 1.00 31.14 H new ATOM 0 HD12 ILE B 240 -2.477 -6.825 -19.757 1.00 31.14 H new ATOM 0 HD13 ILE B 240 -3.113 -6.916 -18.098 1.00 31.14 H new ATOM 1713 N THR B 241 0.578 -11.477 -17.149 1.00 12.22 N ATOM 1714 CA THR B 241 0.753 -12.818 -17.548 1.00 22.23 C ATOM 1715 C THR B 241 -0.485 -13.620 -17.222 1.00 11.41 C ATOM 1716 O THR B 241 -1.341 -13.166 -16.465 1.00 34.34 O ATOM 1717 CB THR B 241 2.020 -13.491 -16.952 1.00 71.31 C ATOM 1718 OG1 THR B 241 1.891 -13.650 -15.535 1.00 72.23 O ATOM 1719 CG2 THR B 241 3.273 -12.660 -17.228 1.00 43.22 C ATOM 0 H THR B 241 0.473 -11.325 -16.146 1.00 12.22 H new ATOM 0 HA THR B 241 0.910 -12.802 -18.627 1.00 22.23 H new ATOM 0 HB THR B 241 2.117 -14.465 -17.431 1.00 71.31 H new ATOM 0 HG1 THR B 241 1.644 -12.792 -15.131 1.00 72.23 H new ATOM 0 HG21 THR B 241 4.142 -13.158 -16.798 1.00 43.22 H new ATOM 0 HG22 THR B 241 3.410 -12.555 -18.304 1.00 43.22 H new ATOM 0 HG23 THR B 241 3.161 -11.673 -16.779 1.00 43.22 H new ATOM 1727 N LYS B 242 -0.559 -14.807 -17.781 1.00 23.30 N ATOM 1728 CA LYS B 242 -1.715 -15.697 -17.650 1.00 45.42 C ATOM 1729 C LYS B 242 -2.165 -16.035 -16.210 1.00 14.11 C ATOM 1730 O LYS B 242 -3.284 -16.477 -16.017 1.00 22.50 O ATOM 1731 CB LYS B 242 -1.566 -16.939 -18.564 1.00 4.21 C ATOM 1732 CG LYS B 242 -0.214 -17.658 -18.494 1.00 73.23 C ATOM 1733 CD LYS B 242 0.072 -18.230 -17.126 1.00 41.01 C ATOM 1734 CE LYS B 242 1.412 -18.926 -17.103 1.00 53.24 C ATOM 1735 NZ LYS B 242 1.711 -19.510 -15.790 1.00 73.02 N ATOM 0 H LYS B 242 0.191 -15.198 -18.352 1.00 23.30 H new ATOM 0 HA LYS B 242 -2.560 -15.110 -18.008 1.00 45.42 H new ATOM 0 HB2 LYS B 242 -2.350 -17.652 -18.307 1.00 4.21 H new ATOM 0 HB3 LYS B 242 -1.740 -16.631 -19.595 1.00 4.21 H new ATOM 0 HG2 LYS B 242 -0.196 -18.462 -19.230 1.00 73.23 H new ATOM 0 HG3 LYS B 242 0.578 -16.960 -18.764 1.00 73.23 H new ATOM 0 HD2 LYS B 242 0.059 -17.432 -16.384 1.00 41.01 H new ATOM 0 HD3 LYS B 242 -0.713 -18.934 -16.850 1.00 41.01 H new ATOM 0 HE2 LYS B 242 1.425 -19.711 -17.859 1.00 53.24 H new ATOM 0 HE3 LYS B 242 2.194 -18.214 -17.369 1.00 53.24 H new ATOM 0 HZ1 LYS B 242 2.640 -19.977 -15.821 1.00 73.02 H new ATOM 0 HZ2 LYS B 242 1.725 -18.759 -15.071 1.00 73.02 H new ATOM 0 HZ3 LYS B 242 0.980 -20.209 -15.546 1.00 73.02 H new ATOM 1749 N ARG B 243 -1.295 -15.842 -15.222 1.00 63.32 N ATOM 1750 CA ARG B 243 -1.673 -16.058 -13.822 1.00 23.45 C ATOM 1751 C ARG B 243 -1.006 -15.082 -12.888 1.00 31.24 C ATOM 1752 O ARG B 243 -0.839 -15.377 -11.715 1.00 25.12 O ATOM 1753 CB ARG B 243 -1.377 -17.470 -13.332 1.00 33.34 C ATOM 1754 CG ARG B 243 -2.278 -18.544 -13.883 1.00 63.00 C ATOM 1755 CD ARG B 243 -2.105 -19.802 -13.086 1.00 14.34 C ATOM 1756 NE ARG B 243 -2.467 -19.586 -11.673 1.00 75.15 N ATOM 1757 CZ ARG B 243 -2.107 -20.373 -10.651 1.00 1.13 C ATOM 1758 NH1 ARG B 243 -1.406 -21.484 -10.862 1.00 70.45 N ATOM 1759 NH2 ARG B 243 -2.458 -20.049 -9.417 1.00 72.33 N ATOM 0 H ARG B 243 -0.331 -15.539 -15.359 1.00 63.32 H new ATOM 0 HA ARG B 243 -2.751 -15.899 -13.806 1.00 23.45 H new ATOM 0 HB2 ARG B 243 -0.346 -17.717 -13.587 1.00 33.34 H new ATOM 0 HB3 ARG B 243 -1.448 -17.482 -12.244 1.00 33.34 H new ATOM 0 HG2 ARG B 243 -3.317 -18.217 -13.844 1.00 63.00 H new ATOM 0 HG3 ARG B 243 -2.041 -18.730 -14.931 1.00 63.00 H new ATOM 0 HD2 ARG B 243 -2.726 -20.592 -13.508 1.00 14.34 H new ATOM 0 HD3 ARG B 243 -1.071 -20.140 -13.153 1.00 14.34 H new ATOM 0 HE ARG B 243 -3.039 -18.770 -11.456 1.00 75.15 H new ATOM 0 HH11 ARG B 243 -1.137 -21.745 -11.811 1.00 70.45 H new ATOM 0 HH12 ARG B 243 -1.138 -22.075 -10.075 1.00 70.45 H new ATOM 0 HH21 ARG B 243 -3.001 -19.202 -9.247 1.00 72.33 H new ATOM 0 HH22 ARG B 243 -2.186 -20.646 -8.636 1.00 72.33 H new ATOM 1773 N GLY B 244 -0.661 -13.913 -13.360 1.00 71.02 N ATOM 1774 CA GLY B 244 -0.022 -12.982 -12.471 1.00 42.04 C ATOM 1775 C GLY B 244 0.461 -11.753 -13.152 1.00 12.32 C ATOM 1776 O GLY B 244 0.523 -11.700 -14.381 1.00 42.11 O ATOM 0 H GLY B 244 -0.804 -13.592 -14.317 1.00 71.02 H new ATOM 0 HA2 GLY B 244 -0.723 -12.701 -11.685 1.00 42.04 H new ATOM 0 HA3 GLY B 244 0.820 -13.474 -11.985 1.00 42.04 H new ATOM 1780 N LEU B 245 0.815 -10.762 -12.379 1.00 11.02 N ATOM 1781 CA LEU B 245 1.309 -9.538 -12.936 1.00 71.12 C ATOM 1782 C LEU B 245 2.667 -9.220 -12.397 1.00 22.34 C ATOM 1783 O LEU B 245 2.943 -9.386 -11.200 1.00 72.44 O ATOM 1784 CB LEU B 245 0.360 -8.329 -12.754 1.00 1.23 C ATOM 1785 CG LEU B 245 -1.008 -8.376 -13.469 1.00 25.10 C ATOM 1786 CD1 LEU B 245 -1.952 -9.393 -12.847 1.00 12.24 C ATOM 1787 CD2 LEU B 245 -1.639 -6.996 -13.515 1.00 52.11 C ATOM 0 H LEU B 245 0.769 -10.781 -11.360 1.00 11.02 H new ATOM 0 HA LEU B 245 1.371 -9.711 -14.010 1.00 71.12 H new ATOM 0 HB2 LEU B 245 0.176 -8.204 -11.687 1.00 1.23 H new ATOM 0 HB3 LEU B 245 0.885 -7.436 -13.093 1.00 1.23 H new ATOM 0 HG LEU B 245 -0.825 -8.705 -14.492 1.00 25.10 H new ATOM 0 HD11 LEU B 245 -2.900 -9.387 -13.386 1.00 12.24 H new ATOM 0 HD12 LEU B 245 -1.507 -10.386 -12.906 1.00 12.24 H new ATOM 0 HD13 LEU B 245 -2.127 -9.136 -11.802 1.00 12.24 H new ATOM 0 HD21 LEU B 245 -2.602 -7.053 -14.023 1.00 52.11 H new ATOM 0 HD22 LEU B 245 -1.786 -6.629 -12.499 1.00 52.11 H new ATOM 0 HD23 LEU B 245 -0.983 -6.314 -14.056 1.00 52.11 H new ATOM 1799 N LYS B 246 3.500 -8.801 -13.273 1.00 14.24 N ATOM 1800 CA LYS B 246 4.837 -8.426 -12.968 1.00 0.21 C ATOM 1801 C LYS B 246 5.029 -6.956 -13.232 1.00 65.24 C ATOM 1802 O LYS B 246 4.843 -6.495 -14.336 1.00 3.43 O ATOM 1803 CB LYS B 246 5.788 -9.264 -13.826 1.00 1.21 C ATOM 1804 CG LYS B 246 7.176 -8.683 -14.026 1.00 22.41 C ATOM 1805 CD LYS B 246 7.962 -9.537 -14.986 1.00 50.14 C ATOM 1806 CE LYS B 246 9.246 -8.879 -15.403 1.00 61.31 C ATOM 1807 NZ LYS B 246 10.058 -9.768 -16.261 1.00 73.30 N ATOM 0 H LYS B 246 3.265 -8.704 -14.261 1.00 14.24 H new ATOM 0 HA LYS B 246 5.049 -8.609 -11.915 1.00 0.21 H new ATOM 0 HB2 LYS B 246 5.888 -10.249 -13.369 1.00 1.21 H new ATOM 0 HB3 LYS B 246 5.331 -9.412 -14.805 1.00 1.21 H new ATOM 0 HG2 LYS B 246 7.101 -7.666 -14.410 1.00 22.41 H new ATOM 0 HG3 LYS B 246 7.696 -8.625 -13.070 1.00 22.41 H new ATOM 0 HD2 LYS B 246 8.182 -10.498 -14.520 1.00 50.14 H new ATOM 0 HD3 LYS B 246 7.356 -9.742 -15.869 1.00 50.14 H new ATOM 0 HE2 LYS B 246 9.025 -7.956 -15.940 1.00 61.31 H new ATOM 0 HE3 LYS B 246 9.819 -8.604 -14.518 1.00 61.31 H new ATOM 0 HZ1 LYS B 246 10.937 -9.282 -16.530 1.00 73.30 H new ATOM 0 HZ2 LYS B 246 10.289 -10.638 -15.740 1.00 73.30 H new ATOM 0 HZ3 LYS B 246 9.520 -10.010 -17.117 1.00 73.30 H new ATOM 1821 N VAL B 247 5.388 -6.242 -12.231 1.00 20.00 N ATOM 1822 CA VAL B 247 5.654 -4.816 -12.386 1.00 52.13 C ATOM 1823 C VAL B 247 7.115 -4.547 -12.143 1.00 72.24 C ATOM 1824 O VAL B 247 7.731 -5.143 -11.253 1.00 53.41 O ATOM 1825 CB VAL B 247 4.787 -3.898 -11.467 1.00 55.21 C ATOM 1826 CG1 VAL B 247 3.304 -4.177 -11.645 1.00 15.31 C ATOM 1827 CG2 VAL B 247 5.197 -4.006 -10.015 1.00 23.42 C ATOM 0 H VAL B 247 5.511 -6.600 -11.284 1.00 20.00 H new ATOM 0 HA VAL B 247 5.375 -4.564 -13.409 1.00 52.13 H new ATOM 0 HB VAL B 247 4.970 -2.869 -11.777 1.00 55.21 H new ATOM 0 HG11 VAL B 247 2.729 -3.521 -10.991 1.00 15.31 H new ATOM 0 HG12 VAL B 247 3.021 -3.994 -12.682 1.00 15.31 H new ATOM 0 HG13 VAL B 247 3.096 -5.216 -11.390 1.00 15.31 H new ATOM 0 HG21 VAL B 247 4.569 -3.352 -9.410 1.00 23.42 H new ATOM 0 HG22 VAL B 247 5.078 -5.036 -9.679 1.00 23.42 H new ATOM 0 HG23 VAL B 247 6.240 -3.708 -9.908 1.00 23.42 H new ATOM 1837 N CYS B 248 7.687 -3.745 -12.951 1.00 22.24 N ATOM 1838 CA CYS B 248 9.042 -3.375 -12.760 1.00 73.00 C ATOM 1839 C CYS B 248 9.165 -1.905 -13.011 1.00 72.43 C ATOM 1840 O CYS B 248 8.979 -1.450 -14.138 1.00 3.54 O ATOM 1841 CB CYS B 248 9.951 -4.149 -13.700 1.00 33.32 C ATOM 1842 SG CYS B 248 11.712 -3.987 -13.291 1.00 1.42 S ATOM 0 H CYS B 248 7.236 -3.324 -13.763 1.00 22.24 H new ATOM 0 HA CYS B 248 9.347 -3.610 -11.740 1.00 73.00 H new ATOM 0 HB2 CYS B 248 9.675 -5.203 -13.675 1.00 33.32 H new ATOM 0 HB3 CYS B 248 9.788 -3.801 -14.720 1.00 33.32 H new ATOM 1847 N CYS B 249 9.431 -1.153 -11.983 1.00 1.42 N ATOM 1848 CA CYS B 249 9.548 0.260 -12.150 1.00 65.02 C ATOM 1849 C CYS B 249 11.013 0.661 -12.281 1.00 64.11 C ATOM 1850 O CYS B 249 11.860 0.215 -11.524 1.00 21.25 O ATOM 1851 CB CYS B 249 8.866 1.028 -11.011 1.00 33.02 C ATOM 1852 SG CYS B 249 7.034 0.834 -10.810 1.00 55.02 S ATOM 0 H CYS B 249 9.569 -1.493 -11.031 1.00 1.42 H new ATOM 0 HA CYS B 249 9.031 0.529 -13.071 1.00 65.02 H new ATOM 0 HB2 CYS B 249 9.339 0.728 -10.076 1.00 33.02 H new ATOM 0 HB3 CYS B 249 9.077 2.088 -11.149 1.00 33.02 H new ATOM 1857 N ASP B 250 11.290 1.490 -13.247 1.00 53.44 N ATOM 1858 CA ASP B 250 12.619 1.962 -13.519 1.00 62.22 C ATOM 1859 C ASP B 250 12.620 3.484 -13.510 1.00 44.52 C ATOM 1860 O ASP B 250 11.955 4.101 -14.322 1.00 34.43 O ATOM 1861 CB ASP B 250 13.070 1.490 -14.911 1.00 42.12 C ATOM 1862 CG ASP B 250 14.516 1.835 -15.209 1.00 43.42 C ATOM 1863 OD1 ASP B 250 15.417 1.115 -14.771 1.00 62.54 O ATOM 1864 OD2 ASP B 250 14.771 2.835 -15.896 1.00 53.02 O ATOM 0 H ASP B 250 10.584 1.865 -13.881 1.00 53.44 H new ATOM 0 HA ASP B 250 13.295 1.572 -12.758 1.00 62.22 H new ATOM 0 HB2 ASP B 250 12.936 0.411 -14.985 1.00 42.12 H new ATOM 0 HB3 ASP B 250 12.430 1.943 -15.668 1.00 42.12 H new ATOM 1869 N PRO B 251 13.350 4.113 -12.596 1.00 13.43 N ATOM 1870 CA PRO B 251 13.482 5.592 -12.526 1.00 42.21 C ATOM 1871 C PRO B 251 14.396 6.138 -13.649 1.00 13.33 C ATOM 1872 O PRO B 251 15.086 7.145 -13.470 1.00 2.00 O ATOM 1873 CB PRO B 251 14.161 5.828 -11.161 1.00 4.24 C ATOM 1874 CG PRO B 251 14.224 4.498 -10.490 1.00 42.51 C ATOM 1875 CD PRO B 251 14.111 3.463 -11.567 1.00 60.35 C ATOM 0 HA PRO B 251 12.520 6.092 -12.640 1.00 42.21 H new ATOM 0 HB2 PRO B 251 15.159 6.246 -11.290 1.00 4.24 H new ATOM 0 HB3 PRO B 251 13.593 6.539 -10.562 1.00 4.24 H new ATOM 0 HG2 PRO B 251 15.160 4.385 -9.943 1.00 42.51 H new ATOM 0 HG3 PRO B 251 13.416 4.392 -9.766 1.00 42.51 H new ATOM 0 HD2 PRO B 251 15.092 3.156 -11.930 1.00 60.35 H new ATOM 0 HD3 PRO B 251 13.609 2.565 -11.206 1.00 60.35 H new