USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 641 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 20 SER OG : rot -33:sc= 0.0458 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 28 LYS NZ :NH3+ 141:sc= 0.824 (180deg=0.345) USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= -0.0252 (180deg=-0.22) USER MOD Single : A 31 LYS NZ :NH3+ 136:sc= -1.22 (180deg=-7.31!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -49:sc= -0.0533 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 157:sc= -0.355 (180deg=-0.878) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= -0.0566 (180deg=-0.0566) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -137:sc= -4.59 (180deg=-6.25!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 93 SER OG : rot -96:sc= 1.21 USER MOD Single : A 94 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 164 N ARG A 12 11.822 -0.611 18.966 1.00 45.24 N ATOM 165 CA ARG A 12 11.791 -0.875 20.399 1.00 63.50 C ATOM 166 C ARG A 12 11.312 0.352 21.168 1.00 34.12 C ATOM 167 O ARG A 12 10.444 0.252 22.035 1.00 4.24 O ATOM 168 CB ARG A 12 13.179 -1.290 20.893 1.00 74.11 C ATOM 169 CG ARG A 12 13.564 -2.709 20.506 1.00 41.50 C ATOM 170 CD ARG A 12 15.001 -3.020 20.892 1.00 25.22 C ATOM 171 NE ARG A 12 15.954 -2.162 20.193 1.00 64.41 N ATOM 172 CZ ARG A 12 17.218 -2.502 19.964 1.00 40.14 C ATOM 173 NH1 ARG A 12 17.678 -3.675 20.376 1.00 70.13 N ATOM 174 NH2 ARG A 12 18.024 -1.667 19.320 1.00 23.13 N ATOM 0 HA ARG A 12 11.090 -1.691 20.577 1.00 63.50 H new ATOM 0 HB2 ARG A 12 13.920 -0.599 20.491 1.00 74.11 H new ATOM 0 HB3 ARG A 12 13.212 -1.197 21.979 1.00 74.11 H new ATOM 0 HG2 ARG A 12 12.893 -3.416 20.995 1.00 41.50 H new ATOM 0 HG3 ARG A 12 13.438 -2.841 19.431 1.00 41.50 H new ATOM 0 HD2 ARG A 12 15.122 -2.895 21.968 1.00 25.22 H new ATOM 0 HD3 ARG A 12 15.219 -4.064 20.666 1.00 25.22 H new ATOM 0 HE ARG A 12 15.632 -1.252 19.863 1.00 64.41 H new ATOM 0 HH11 ARG A 12 17.061 -4.320 20.870 1.00 70.13 H new ATOM 0 HH12 ARG A 12 18.649 -3.933 20.199 1.00 70.13 H new ATOM 0 HH21 ARG A 12 17.673 -0.764 19.001 1.00 23.13 H new ATOM 0 HH22 ARG A 12 18.994 -1.928 19.144 1.00 23.13 H new ATOM 188 N GLU A 13 11.883 1.508 20.844 1.00 32.31 N ATOM 189 CA GLU A 13 11.514 2.754 21.506 1.00 32.50 C ATOM 190 C GLU A 13 10.067 3.127 21.196 1.00 60.41 C ATOM 191 O GLU A 13 9.428 3.859 21.951 1.00 44.44 O ATOM 192 CB GLU A 13 12.448 3.884 21.071 1.00 42.42 C ATOM 193 CG GLU A 13 13.899 3.659 21.461 1.00 64.24 C ATOM 194 CD GLU A 13 14.545 4.898 22.049 1.00 51.42 C ATOM 195 OE1 GLU A 13 14.500 5.959 21.391 1.00 50.02 O ATOM 196 OE2 GLU A 13 15.095 4.808 23.166 1.00 12.32 O ATOM 0 H GLU A 13 12.602 1.608 20.128 1.00 32.31 H new ATOM 0 HA GLU A 13 11.610 2.607 22.582 1.00 32.50 H new ATOM 0 HB2 GLU A 13 12.385 4.000 19.989 1.00 42.42 H new ATOM 0 HB3 GLU A 13 12.103 4.819 21.512 1.00 42.42 H new ATOM 0 HG2 GLU A 13 13.955 2.847 22.186 1.00 64.24 H new ATOM 0 HG3 GLU A 13 14.462 3.342 20.583 1.00 64.24 H new ATOM 203 N ALA A 14 9.557 2.617 20.079 1.00 1.23 N ATOM 204 CA ALA A 14 8.186 2.895 19.669 1.00 2.13 C ATOM 205 C ALA A 14 7.189 2.146 20.546 1.00 75.21 C ATOM 206 O ALA A 14 6.203 2.719 21.012 1.00 1.12 O ATOM 207 CB ALA A 14 7.988 2.526 18.207 1.00 52.24 C ATOM 0 H ALA A 14 10.073 2.009 19.442 1.00 1.23 H new ATOM 0 HA ALA A 14 8.005 3.963 19.790 1.00 2.13 H new ATOM 0 HB1 ALA A 14 6.960 2.739 17.914 1.00 52.24 H new ATOM 0 HB2 ALA A 14 8.670 3.110 17.589 1.00 52.24 H new ATOM 0 HB3 ALA A 14 8.192 1.464 18.069 1.00 52.24 H new ATOM 213 N LEU A 15 7.449 0.862 20.766 1.00 61.10 N ATOM 214 CA LEU A 15 6.573 0.033 21.587 1.00 40.12 C ATOM 215 C LEU A 15 6.339 0.674 22.951 1.00 33.42 C ATOM 216 O LEU A 15 5.232 0.625 23.490 1.00 40.31 O ATOM 217 CB LEU A 15 7.175 -1.362 21.762 1.00 3.03 C ATOM 218 CG LEU A 15 6.583 -2.212 22.887 1.00 72.34 C ATOM 219 CD1 LEU A 15 5.103 -2.465 22.642 1.00 64.44 C ATOM 220 CD2 LEU A 15 7.337 -3.528 23.014 1.00 11.13 C ATOM 0 H LEU A 15 8.260 0.372 20.387 1.00 61.10 H new ATOM 0 HA LEU A 15 5.613 -0.054 21.078 1.00 40.12 H new ATOM 0 HB2 LEU A 15 7.060 -1.906 20.824 1.00 3.03 H new ATOM 0 HB3 LEU A 15 8.245 -1.254 21.939 1.00 3.03 H new ATOM 0 HG LEU A 15 6.687 -1.665 23.824 1.00 72.34 H new ATOM 0 HD11 LEU A 15 4.698 -3.071 23.452 1.00 64.44 H new ATOM 0 HD12 LEU A 15 4.573 -1.513 22.601 1.00 64.44 H new ATOM 0 HD13 LEU A 15 4.976 -2.992 21.696 1.00 64.44 H new ATOM 0 HD21 LEU A 15 6.902 -4.120 23.819 1.00 11.13 H new ATOM 0 HD22 LEU A 15 7.265 -4.081 22.077 1.00 11.13 H new ATOM 0 HD23 LEU A 15 8.385 -3.327 23.236 1.00 11.13 H new ATOM 232 N LEU A 16 7.386 1.275 23.504 1.00 22.13 N ATOM 233 CA LEU A 16 7.294 1.928 24.806 1.00 65.05 C ATOM 234 C LEU A 16 6.428 3.181 24.726 1.00 5.11 C ATOM 235 O LEU A 16 5.673 3.485 25.649 1.00 22.14 O ATOM 236 CB LEU A 16 8.690 2.290 25.316 1.00 43.32 C ATOM 237 CG LEU A 16 9.780 1.241 25.093 1.00 33.31 C ATOM 238 CD1 LEU A 16 11.145 1.803 25.458 1.00 31.44 C ATOM 239 CD2 LEU A 16 9.484 -0.015 25.901 1.00 40.42 C ATOM 0 H LEU A 16 8.309 1.324 23.072 1.00 22.13 H new ATOM 0 HA LEU A 16 6.829 1.231 25.503 1.00 65.05 H new ATOM 0 HB2 LEU A 16 9.002 3.217 24.834 1.00 43.32 H new ATOM 0 HB3 LEU A 16 8.623 2.493 26.385 1.00 43.32 H new ATOM 0 HG LEU A 16 9.791 0.975 24.036 1.00 33.31 H new ATOM 0 HD11 LEU A 16 11.908 1.042 25.293 1.00 31.44 H new ATOM 0 HD12 LEU A 16 11.359 2.672 24.836 1.00 31.44 H new ATOM 0 HD13 LEU A 16 11.148 2.098 26.507 1.00 31.44 H new ATOM 0 HD21 LEU A 16 10.270 -0.751 25.730 1.00 40.42 H new ATOM 0 HD22 LEU A 16 9.445 0.235 26.961 1.00 40.42 H new ATOM 0 HD23 LEU A 16 8.525 -0.430 25.591 1.00 40.42 H new ATOM 251 N TRP A 17 6.542 3.903 23.617 1.00 21.21 N ATOM 252 CA TRP A 17 5.767 5.122 23.416 1.00 5.23 C ATOM 253 C TRP A 17 4.314 4.796 23.089 1.00 45.41 C ATOM 254 O TRP A 17 3.404 5.538 23.458 1.00 23.32 O ATOM 255 CB TRP A 17 6.380 5.961 22.294 1.00 44.13 C ATOM 256 CG TRP A 17 6.615 7.390 22.680 1.00 24.04 C ATOM 257 CD1 TRP A 17 5.841 8.153 23.507 1.00 3.21 C ATOM 258 CD2 TRP A 17 7.696 8.226 22.254 1.00 2.51 C ATOM 259 NE1 TRP A 17 6.376 9.414 23.620 1.00 31.03 N ATOM 260 CE2 TRP A 17 7.514 9.484 22.862 1.00 5.20 C ATOM 261 CE3 TRP A 17 8.801 8.035 21.420 1.00 51.11 C ATOM 262 CZ2 TRP A 17 8.396 10.543 22.660 1.00 71.33 C ATOM 263 CZ3 TRP A 17 9.675 9.087 21.220 1.00 74.12 C ATOM 264 CH2 TRP A 17 9.469 10.327 21.838 1.00 52.40 C ATOM 0 H TRP A 17 7.163 3.666 22.844 1.00 21.21 H new ATOM 0 HA TRP A 17 5.791 5.695 24.343 1.00 5.23 H new ATOM 0 HB2 TRP A 17 7.327 5.514 21.992 1.00 44.13 H new ATOM 0 HB3 TRP A 17 5.721 5.930 21.426 1.00 44.13 H new ATOM 0 HD1 TRP A 17 4.941 7.815 24.000 1.00 3.21 H new ATOM 0 HE1 TRP A 17 5.988 10.174 24.178 1.00 31.03 H new ATOM 0 HE3 TRP A 17 8.969 7.082 20.940 1.00 51.11 H new ATOM 0 HZ2 TRP A 17 8.239 11.500 23.135 1.00 71.33 H new ATOM 0 HZ3 TRP A 17 10.531 8.951 20.576 1.00 74.12 H new ATOM 0 HH2 TRP A 17 10.171 11.129 21.662 1.00 52.40 H new ATOM 275 N ALA A 18 4.104 3.683 22.394 1.00 1.21 N ATOM 276 CA ALA A 18 2.761 3.259 22.019 1.00 31.24 C ATOM 277 C ALA A 18 1.996 2.727 23.227 1.00 43.30 C ATOM 278 O ALA A 18 0.950 3.262 23.597 1.00 4.42 O ATOM 279 CB ALA A 18 2.827 2.202 20.927 1.00 71.10 C ATOM 0 H ALA A 18 4.847 3.059 22.079 1.00 1.21 H new ATOM 0 HA ALA A 18 2.226 4.128 21.636 1.00 31.24 H new ATOM 0 HB1 ALA A 18 1.817 1.894 20.657 1.00 71.10 H new ATOM 0 HB2 ALA A 18 3.327 2.615 20.051 1.00 71.10 H new ATOM 0 HB3 ALA A 18 3.384 1.338 21.290 1.00 71.10 H new ATOM 285 N LEU A 19 2.523 1.672 23.837 1.00 24.42 N ATOM 286 CA LEU A 19 1.890 1.067 25.004 1.00 72.33 C ATOM 287 C LEU A 19 1.635 2.110 26.087 1.00 22.42 C ATOM 288 O LEU A 19 0.744 1.948 26.921 1.00 50.42 O ATOM 289 CB LEU A 19 2.765 -0.058 25.558 1.00 24.32 C ATOM 290 CG LEU A 19 4.118 0.365 26.133 1.00 72.12 C ATOM 291 CD1 LEU A 19 3.969 0.803 27.582 1.00 72.54 C ATOM 292 CD2 LEU A 19 5.125 -0.770 26.017 1.00 31.04 C ATOM 0 H LEU A 19 3.387 1.217 23.543 1.00 24.42 H new ATOM 0 HA LEU A 19 0.931 0.652 24.693 1.00 72.33 H new ATOM 0 HB2 LEU A 19 2.207 -0.575 26.339 1.00 24.32 H new ATOM 0 HB3 LEU A 19 2.941 -0.780 24.761 1.00 24.32 H new ATOM 0 HG LEU A 19 4.488 1.212 25.556 1.00 72.12 H new ATOM 0 HD11 LEU A 19 4.942 1.100 27.974 1.00 72.54 H new ATOM 0 HD12 LEU A 19 3.282 1.647 27.638 1.00 72.54 H new ATOM 0 HD13 LEU A 19 3.577 -0.024 28.174 1.00 72.54 H new ATOM 0 HD21 LEU A 19 6.082 -0.451 26.431 1.00 31.04 H new ATOM 0 HD22 LEU A 19 4.761 -1.637 26.569 1.00 31.04 H new ATOM 0 HD23 LEU A 19 5.254 -1.036 24.968 1.00 31.04 H new ATOM 304 N SER A 20 2.423 3.180 26.068 1.00 52.23 N ATOM 305 CA SER A 20 2.284 4.249 27.050 1.00 51.45 C ATOM 306 C SER A 20 1.272 5.290 26.580 1.00 33.10 C ATOM 307 O SER A 20 0.768 6.084 27.374 1.00 14.12 O ATOM 308 CB SER A 20 3.637 4.916 27.304 1.00 42.14 C ATOM 309 OG SER A 20 3.557 5.842 28.373 1.00 33.14 O ATOM 0 H SER A 20 3.164 3.330 25.384 1.00 52.23 H new ATOM 0 HA SER A 20 1.923 3.810 27.980 1.00 51.45 H new ATOM 0 HB2 SER A 20 4.383 4.155 27.533 1.00 42.14 H new ATOM 0 HB3 SER A 20 3.969 5.427 26.400 1.00 42.14 H new ATOM 0 HG SER A 20 2.670 6.258 28.379 1.00 33.14 H new ATOM 315 N ASP A 21 0.980 5.279 25.284 1.00 34.12 N ATOM 316 CA ASP A 21 0.027 6.220 24.707 1.00 10.42 C ATOM 317 C ASP A 21 -1.403 5.850 25.090 1.00 44.12 C ATOM 318 O ASP A 21 -2.340 6.608 24.838 1.00 53.21 O ATOM 319 CB ASP A 21 0.168 6.253 23.185 1.00 44.24 C ATOM 320 CG ASP A 21 0.564 7.623 22.669 1.00 25.13 C ATOM 321 OD1 ASP A 21 -0.204 8.584 22.886 1.00 24.31 O ATOM 322 OD2 ASP A 21 1.643 7.734 22.050 1.00 11.21 O ATOM 0 H ASP A 21 1.390 4.629 24.613 1.00 34.12 H new ATOM 0 HA ASP A 21 0.246 7.210 25.106 1.00 10.42 H new ATOM 0 HB2 ASP A 21 0.915 5.522 22.876 1.00 44.24 H new ATOM 0 HB3 ASP A 21 -0.776 5.955 22.729 1.00 44.24 H new ATOM 327 N LEU A 22 -1.562 4.680 25.698 1.00 14.24 N ATOM 328 CA LEU A 22 -2.878 4.208 26.115 1.00 13.13 C ATOM 329 C LEU A 22 -2.972 4.130 27.636 1.00 72.33 C ATOM 330 O LEU A 22 -1.956 4.073 28.327 1.00 0.22 O ATOM 331 CB LEU A 22 -3.167 2.836 25.504 1.00 40.03 C ATOM 332 CG LEU A 22 -1.950 1.947 25.244 1.00 0.40 C ATOM 333 CD1 LEU A 22 -2.222 0.523 25.702 1.00 23.11 C ATOM 334 CD2 LEU A 22 -1.576 1.973 23.769 1.00 3.12 C ATOM 0 H LEU A 22 -0.797 4.041 25.913 1.00 14.24 H new ATOM 0 HA LEU A 22 -3.622 4.921 25.759 1.00 13.13 H new ATOM 0 HB2 LEU A 22 -3.847 2.301 26.167 1.00 40.03 H new ATOM 0 HB3 LEU A 22 -3.692 2.984 24.560 1.00 40.03 H new ATOM 0 HG LEU A 22 -1.110 2.337 25.818 1.00 0.40 H new ATOM 0 HD11 LEU A 22 -1.345 -0.095 25.509 1.00 23.11 H new ATOM 0 HD12 LEU A 22 -2.440 0.520 26.770 1.00 23.11 H new ATOM 0 HD13 LEU A 22 -3.076 0.122 25.156 1.00 23.11 H new ATOM 0 HD21 LEU A 22 -0.708 1.335 23.602 1.00 3.12 H new ATOM 0 HD22 LEU A 22 -2.414 1.608 23.175 1.00 3.12 H new ATOM 0 HD23 LEU A 22 -1.338 2.994 23.472 1.00 3.12 H new ATOM 346 N GLU A 23 -4.199 4.125 28.148 1.00 23.33 N ATOM 347 CA GLU A 23 -4.424 4.052 29.587 1.00 33.51 C ATOM 348 C GLU A 23 -4.174 2.638 30.106 1.00 51.41 C ATOM 349 O GLU A 23 -4.359 1.660 29.383 1.00 23.32 O ATOM 350 CB GLU A 23 -5.852 4.485 29.925 1.00 53.24 C ATOM 351 CG GLU A 23 -6.092 5.976 29.754 1.00 30.12 C ATOM 352 CD GLU A 23 -7.532 6.369 30.020 1.00 11.44 C ATOM 353 OE1 GLU A 23 -8.437 5.736 29.438 1.00 61.43 O ATOM 354 OE2 GLU A 23 -7.754 7.310 30.810 1.00 13.44 O ATOM 0 H GLU A 23 -5.051 4.171 27.589 1.00 23.33 H new ATOM 0 HA GLU A 23 -3.722 4.729 30.073 1.00 33.51 H new ATOM 0 HB2 GLU A 23 -6.549 3.938 29.290 1.00 53.24 H new ATOM 0 HB3 GLU A 23 -6.073 4.206 30.955 1.00 53.24 H new ATOM 0 HG2 GLU A 23 -5.438 6.526 30.431 1.00 30.12 H new ATOM 0 HG3 GLU A 23 -5.820 6.270 28.740 1.00 30.12 H new ATOM 361 N GLU A 24 -3.752 2.542 31.363 1.00 74.31 N ATOM 362 CA GLU A 24 -3.476 1.249 31.978 1.00 64.22 C ATOM 363 C GLU A 24 -4.717 0.361 31.960 1.00 65.13 C ATOM 364 O GLU A 24 -4.616 -0.862 31.868 1.00 54.21 O ATOM 365 CB GLU A 24 -2.990 1.437 33.417 1.00 75.23 C ATOM 366 CG GLU A 24 -3.982 2.173 34.302 1.00 43.51 C ATOM 367 CD GLU A 24 -3.806 3.679 34.248 1.00 62.44 C ATOM 368 OE1 GLU A 24 -2.696 4.133 33.898 1.00 54.42 O ATOM 369 OE2 GLU A 24 -4.776 4.401 34.555 1.00 14.40 O ATOM 0 H GLU A 24 -3.594 3.343 31.974 1.00 74.31 H new ATOM 0 HA GLU A 24 -2.693 0.760 31.399 1.00 64.22 H new ATOM 0 HB2 GLU A 24 -2.783 0.459 33.852 1.00 75.23 H new ATOM 0 HB3 GLU A 24 -2.049 1.987 33.405 1.00 75.23 H new ATOM 0 HG2 GLU A 24 -4.996 1.918 33.995 1.00 43.51 H new ATOM 0 HG3 GLU A 24 -3.866 1.834 35.331 1.00 43.51 H new ATOM 376 N ASN A 25 -5.886 0.986 32.049 1.00 42.44 N ATOM 377 CA ASN A 25 -7.147 0.254 32.044 1.00 61.22 C ATOM 378 C ASN A 25 -7.482 -0.242 30.641 1.00 74.34 C ATOM 379 O ASN A 25 -8.533 -0.844 30.419 1.00 71.34 O ATOM 380 CB ASN A 25 -8.278 1.141 32.567 1.00 12.12 C ATOM 381 CG ASN A 25 -8.008 1.657 33.967 1.00 23.14 C ATOM 382 OD1 ASN A 25 -7.381 0.978 34.781 1.00 74.40 O ATOM 383 ND2 ASN A 25 -8.480 2.864 34.255 1.00 54.25 N ATOM 0 H ASN A 25 -5.986 1.998 32.125 1.00 42.44 H new ATOM 0 HA ASN A 25 -7.039 -0.610 32.700 1.00 61.22 H new ATOM 0 HB2 ASN A 25 -8.416 1.986 31.892 1.00 12.12 H new ATOM 0 HB3 ASN A 25 -9.210 0.576 32.565 1.00 12.12 H new ATOM 0 HD21 ASN A 25 -8.328 3.263 35.181 1.00 54.25 H new ATOM 0 HD22 ASN A 25 -8.994 3.392 33.550 1.00 54.25 H new ATOM 390 N ASP A 26 -6.583 0.014 29.698 1.00 45.24 N ATOM 391 CA ASP A 26 -6.782 -0.408 28.316 1.00 44.41 C ATOM 392 C ASP A 26 -5.806 -1.519 27.941 1.00 43.51 C ATOM 393 O ASP A 26 -6.214 -2.608 27.539 1.00 71.22 O ATOM 394 CB ASP A 26 -6.610 0.780 27.368 1.00 50.41 C ATOM 395 CG ASP A 26 -7.706 1.815 27.532 1.00 72.34 C ATOM 396 OD1 ASP A 26 -8.572 1.628 28.412 1.00 1.15 O ATOM 397 OD2 ASP A 26 -7.698 2.811 26.779 1.00 11.34 O ATOM 0 H ASP A 26 -5.709 0.512 29.865 1.00 45.24 H new ATOM 0 HA ASP A 26 -7.797 -0.794 28.222 1.00 44.41 H new ATOM 0 HB2 ASP A 26 -5.642 1.248 27.549 1.00 50.41 H new ATOM 0 HB3 ASP A 26 -6.604 0.422 26.339 1.00 50.41 H new ATOM 402 N PHE A 27 -4.514 -1.235 28.074 1.00 13.32 N ATOM 403 CA PHE A 27 -3.480 -2.209 27.747 1.00 23.04 C ATOM 404 C PHE A 27 -3.592 -3.441 28.640 1.00 23.42 C ATOM 405 O PHE A 27 -3.358 -4.566 28.198 1.00 22.40 O ATOM 406 CB PHE A 27 -2.092 -1.581 27.897 1.00 35.23 C ATOM 407 CG PHE A 27 -1.281 -2.180 29.010 1.00 4.32 C ATOM 408 CD1 PHE A 27 -0.499 -3.302 28.789 1.00 32.32 C ATOM 409 CD2 PHE A 27 -1.299 -1.620 30.278 1.00 53.05 C ATOM 410 CE1 PHE A 27 0.249 -3.855 29.811 1.00 24.50 C ATOM 411 CE2 PHE A 27 -0.552 -2.168 31.303 1.00 35.40 C ATOM 412 CZ PHE A 27 0.222 -3.288 31.070 1.00 72.21 C ATOM 0 H PHE A 27 -4.159 -0.338 28.406 1.00 13.32 H new ATOM 0 HA PHE A 27 -3.621 -2.518 26.711 1.00 23.04 H new ATOM 0 HB2 PHE A 27 -1.547 -1.694 26.960 1.00 35.23 H new ATOM 0 HB3 PHE A 27 -2.203 -0.511 28.074 1.00 35.23 H new ATOM 0 HD1 PHE A 27 -0.474 -3.750 27.807 1.00 32.32 H new ATOM 0 HD2 PHE A 27 -1.904 -0.745 30.467 1.00 53.05 H new ATOM 0 HE1 PHE A 27 0.854 -4.730 29.625 1.00 24.50 H new ATOM 0 HE2 PHE A 27 -0.573 -1.721 32.286 1.00 35.40 H new ATOM 0 HZ PHE A 27 0.805 -3.719 31.870 1.00 72.21 H new ATOM 422 N LYS A 28 -3.951 -3.221 29.900 1.00 3.14 N ATOM 423 CA LYS A 28 -4.095 -4.311 30.857 1.00 30.44 C ATOM 424 C LYS A 28 -5.240 -5.237 30.459 1.00 60.13 C ATOM 425 O LYS A 28 -5.102 -6.460 30.487 1.00 30.32 O ATOM 426 CB LYS A 28 -4.340 -3.756 32.262 1.00 1.31 C ATOM 427 CG LYS A 28 -4.679 -4.823 33.288 1.00 24.20 C ATOM 428 CD LYS A 28 -3.483 -5.714 33.581 1.00 31.21 C ATOM 429 CE LYS A 28 -3.031 -5.583 35.028 1.00 52.45 C ATOM 430 NZ LYS A 28 -2.680 -4.177 35.373 1.00 25.41 N ATOM 0 H LYS A 28 -4.148 -2.296 30.282 1.00 3.14 H new ATOM 0 HA LYS A 28 -3.169 -4.885 30.856 1.00 30.44 H new ATOM 0 HB2 LYS A 28 -3.451 -3.217 32.591 1.00 1.31 H new ATOM 0 HB3 LYS A 28 -5.154 -3.032 32.221 1.00 1.31 H new ATOM 0 HG2 LYS A 28 -5.015 -4.349 34.210 1.00 24.20 H new ATOM 0 HG3 LYS A 28 -5.506 -5.431 32.922 1.00 24.20 H new ATOM 0 HD2 LYS A 28 -3.742 -6.752 33.372 1.00 31.21 H new ATOM 0 HD3 LYS A 28 -2.660 -5.450 32.916 1.00 31.21 H new ATOM 0 HE2 LYS A 28 -3.824 -5.932 35.689 1.00 52.45 H new ATOM 0 HE3 LYS A 28 -2.167 -6.226 35.199 1.00 52.45 H new ATOM 0 HZ1 LYS A 28 -3.009 -3.963 36.336 1.00 25.41 H new ATOM 0 HZ2 LYS A 28 -1.648 -4.055 35.325 1.00 25.41 H new ATOM 0 HZ3 LYS A 28 -3.137 -3.530 34.699 1.00 25.41 H new ATOM 444 N LYS A 29 -6.370 -4.646 30.086 1.00 71.22 N ATOM 445 CA LYS A 29 -7.539 -5.417 29.678 1.00 2.13 C ATOM 446 C LYS A 29 -7.187 -6.385 28.553 1.00 1.21 C ATOM 447 O LYS A 29 -7.594 -7.547 28.570 1.00 75.10 O ATOM 448 CB LYS A 29 -8.661 -4.480 29.227 1.00 52.32 C ATOM 449 CG LYS A 29 -9.811 -4.388 30.215 1.00 73.13 C ATOM 450 CD LYS A 29 -9.368 -3.772 31.531 1.00 21.11 C ATOM 451 CE LYS A 29 -10.051 -4.438 32.716 1.00 44.10 C ATOM 452 NZ LYS A 29 -9.581 -5.838 32.912 1.00 55.43 N ATOM 0 H LYS A 29 -6.501 -3.635 30.058 1.00 71.22 H new ATOM 0 HA LYS A 29 -7.880 -5.995 30.537 1.00 2.13 H new ATOM 0 HB2 LYS A 29 -8.249 -3.483 29.068 1.00 52.32 H new ATOM 0 HB3 LYS A 29 -9.045 -4.823 28.266 1.00 52.32 H new ATOM 0 HG2 LYS A 29 -10.614 -3.790 29.785 1.00 73.13 H new ATOM 0 HG3 LYS A 29 -10.216 -5.383 30.396 1.00 73.13 H new ATOM 0 HD2 LYS A 29 -8.287 -3.867 31.633 1.00 21.11 H new ATOM 0 HD3 LYS A 29 -9.596 -2.706 31.530 1.00 21.11 H new ATOM 0 HE2 LYS A 29 -9.857 -3.860 33.619 1.00 44.10 H new ATOM 0 HE3 LYS A 29 -11.130 -4.435 32.562 1.00 44.10 H new ATOM 0 HZ1 LYS A 29 -9.744 -6.124 33.899 1.00 55.43 H new ATOM 0 HZ2 LYS A 29 -10.106 -6.472 32.277 1.00 55.43 H new ATOM 0 HZ3 LYS A 29 -8.565 -5.896 32.698 1.00 55.43 H new ATOM 466 N LEU A 30 -6.427 -5.899 27.577 1.00 32.44 N ATOM 467 CA LEU A 30 -6.019 -6.722 26.444 1.00 23.43 C ATOM 468 C LEU A 30 -5.017 -7.788 26.878 1.00 11.11 C ATOM 469 O LEU A 30 -5.223 -8.980 26.648 1.00 13.24 O ATOM 470 CB LEU A 30 -5.408 -5.848 25.348 1.00 63.23 C ATOM 471 CG LEU A 30 -5.790 -4.368 25.379 1.00 44.12 C ATOM 472 CD1 LEU A 30 -5.167 -3.631 24.203 1.00 75.43 C ATOM 473 CD2 LEU A 30 -7.303 -4.207 25.371 1.00 22.11 C ATOM 0 H LEU A 30 -6.081 -4.940 27.548 1.00 32.44 H new ATOM 0 HA LEU A 30 -6.905 -7.221 26.051 1.00 23.43 H new ATOM 0 HB2 LEU A 30 -4.323 -5.924 25.413 1.00 63.23 H new ATOM 0 HB3 LEU A 30 -5.698 -6.257 24.380 1.00 63.23 H new ATOM 0 HG LEU A 30 -5.404 -3.932 26.300 1.00 44.12 H new ATOM 0 HD11 LEU A 30 -5.450 -2.579 24.242 1.00 75.43 H new ATOM 0 HD12 LEU A 30 -4.082 -3.717 24.253 1.00 75.43 H new ATOM 0 HD13 LEU A 30 -5.523 -4.068 23.270 1.00 75.43 H new ATOM 0 HD21 LEU A 30 -7.556 -3.147 25.393 1.00 22.11 H new ATOM 0 HD22 LEU A 30 -7.712 -4.659 24.467 1.00 22.11 H new ATOM 0 HD23 LEU A 30 -7.726 -4.700 26.247 1.00 22.11 H new ATOM 485 N LYS A 31 -3.932 -7.351 27.509 1.00 53.12 N ATOM 486 CA LYS A 31 -2.899 -8.266 27.979 1.00 73.11 C ATOM 487 C LYS A 31 -3.489 -9.321 28.910 1.00 53.24 C ATOM 488 O LYS A 31 -2.976 -10.436 29.005 1.00 0.22 O ATOM 489 CB LYS A 31 -1.795 -7.493 28.703 1.00 44.35 C ATOM 490 CG LYS A 31 -1.019 -6.551 27.798 1.00 42.00 C ATOM 491 CD LYS A 31 -0.268 -7.309 26.716 1.00 21.33 C ATOM 492 CE LYS A 31 0.262 -6.371 25.643 1.00 10.41 C ATOM 493 NZ LYS A 31 0.952 -5.189 26.231 1.00 22.31 N ATOM 0 H LYS A 31 -3.746 -6.368 27.707 1.00 53.12 H new ATOM 0 HA LYS A 31 -2.473 -8.769 27.111 1.00 73.11 H new ATOM 0 HB2 LYS A 31 -2.238 -6.919 29.517 1.00 44.35 H new ATOM 0 HB3 LYS A 31 -1.102 -8.203 29.155 1.00 44.35 H new ATOM 0 HG2 LYS A 31 -1.705 -5.841 27.336 1.00 42.00 H new ATOM 0 HG3 LYS A 31 -0.314 -5.971 28.394 1.00 42.00 H new ATOM 0 HD2 LYS A 31 0.561 -7.857 27.163 1.00 21.33 H new ATOM 0 HD3 LYS A 31 -0.929 -8.047 26.261 1.00 21.33 H new ATOM 0 HE2 LYS A 31 0.954 -6.912 24.998 1.00 10.41 H new ATOM 0 HE3 LYS A 31 -0.563 -6.035 25.015 1.00 10.41 H new ATOM 0 HZ1 LYS A 31 1.836 -5.010 25.713 1.00 22.31 H new ATOM 0 HZ2 LYS A 31 0.334 -4.355 26.160 1.00 22.31 H new ATOM 0 HZ3 LYS A 31 1.168 -5.375 27.231 1.00 22.31 H new ATOM 507 N PHE A 32 -4.571 -8.962 29.593 1.00 50.10 N ATOM 508 CA PHE A 32 -5.231 -9.878 30.516 1.00 52.12 C ATOM 509 C PHE A 32 -5.797 -11.085 29.773 1.00 41.43 C ATOM 510 O PHE A 32 -5.610 -12.228 30.190 1.00 15.21 O ATOM 511 CB PHE A 32 -6.351 -9.157 31.269 1.00 74.41 C ATOM 512 CG PHE A 32 -6.842 -9.907 32.474 1.00 32.32 C ATOM 513 CD1 PHE A 32 -6.020 -10.091 33.574 1.00 12.24 C ATOM 514 CD2 PHE A 32 -8.126 -10.428 32.507 1.00 23.12 C ATOM 515 CE1 PHE A 32 -6.469 -10.781 34.684 1.00 32.23 C ATOM 516 CE2 PHE A 32 -8.580 -11.119 33.615 1.00 74.13 C ATOM 517 CZ PHE A 32 -7.751 -11.295 34.705 1.00 12.20 C ATOM 0 H PHE A 32 -5.009 -8.043 29.525 1.00 50.10 H new ATOM 0 HA PHE A 32 -4.489 -10.230 31.232 1.00 52.12 H new ATOM 0 HB2 PHE A 32 -5.994 -8.176 31.582 1.00 74.41 H new ATOM 0 HB3 PHE A 32 -7.187 -8.991 30.589 1.00 74.41 H new ATOM 0 HD1 PHE A 32 -5.017 -9.691 33.564 1.00 12.24 H new ATOM 0 HD2 PHE A 32 -8.779 -10.293 31.658 1.00 23.12 H new ATOM 0 HE1 PHE A 32 -5.818 -10.918 35.535 1.00 32.23 H new ATOM 0 HE2 PHE A 32 -9.582 -11.521 33.628 1.00 74.13 H new ATOM 0 HZ PHE A 32 -8.104 -11.833 35.572 1.00 12.20 H new ATOM 527 N TYR A 33 -6.489 -10.821 28.670 1.00 60.31 N ATOM 528 CA TYR A 33 -7.085 -11.884 27.870 1.00 60.45 C ATOM 529 C TYR A 33 -6.156 -12.296 26.732 1.00 64.02 C ATOM 530 O TYR A 33 -5.825 -13.473 26.579 1.00 51.21 O ATOM 531 CB TYR A 33 -8.432 -11.432 27.304 1.00 11.51 C ATOM 532 CG TYR A 33 -9.551 -12.421 27.538 1.00 22.35 C ATOM 533 CD1 TYR A 33 -9.400 -13.762 27.205 1.00 42.21 C ATOM 534 CD2 TYR A 33 -10.759 -12.016 28.092 1.00 22.35 C ATOM 535 CE1 TYR A 33 -10.419 -14.670 27.417 1.00 53.34 C ATOM 536 CE2 TYR A 33 -11.783 -12.917 28.309 1.00 31.51 C ATOM 537 CZ TYR A 33 -11.609 -14.243 27.969 1.00 2.13 C ATOM 538 OH TYR A 33 -12.627 -15.143 28.182 1.00 33.42 O ATOM 0 H TYR A 33 -6.651 -9.880 28.310 1.00 60.31 H new ATOM 0 HA TYR A 33 -7.242 -12.746 28.518 1.00 60.45 H new ATOM 0 HB2 TYR A 33 -8.703 -10.477 27.754 1.00 11.51 H new ATOM 0 HB3 TYR A 33 -8.327 -11.262 26.232 1.00 11.51 H new ATOM 0 HD1 TYR A 33 -8.470 -14.100 26.773 1.00 42.21 H new ATOM 0 HD2 TYR A 33 -10.900 -10.979 28.358 1.00 22.35 H new ATOM 0 HE1 TYR A 33 -10.285 -15.708 27.152 1.00 53.34 H new ATOM 0 HE2 TYR A 33 -12.715 -12.586 28.742 1.00 31.51 H new ATOM 0 HH TYR A 33 -13.395 -14.681 28.578 1.00 33.42 H new ATOM 548 N LEU A 34 -5.737 -11.318 25.936 1.00 62.41 N ATOM 549 CA LEU A 34 -4.844 -11.577 24.811 1.00 13.33 C ATOM 550 C LEU A 34 -3.618 -12.365 25.259 1.00 21.33 C ATOM 551 O LEU A 34 -3.357 -13.462 24.763 1.00 14.44 O ATOM 552 CB LEU A 34 -4.410 -10.259 24.166 1.00 30.43 C ATOM 553 CG LEU A 34 -5.413 -9.619 23.206 1.00 35.15 C ATOM 554 CD1 LEU A 34 -5.613 -10.496 21.980 1.00 34.12 C ATOM 555 CD2 LEU A 34 -6.740 -9.371 23.909 1.00 32.23 C ATOM 0 H LEU A 34 -6.001 -10.339 26.048 1.00 62.41 H new ATOM 0 HA LEU A 34 -5.387 -12.173 24.077 1.00 13.33 H new ATOM 0 HB2 LEU A 34 -4.190 -9.545 24.959 1.00 30.43 H new ATOM 0 HB3 LEU A 34 -3.479 -10.431 23.625 1.00 30.43 H new ATOM 0 HG LEU A 34 -5.013 -8.659 22.879 1.00 35.15 H new ATOM 0 HD11 LEU A 34 -6.330 -10.024 21.308 1.00 34.12 H new ATOM 0 HD12 LEU A 34 -4.661 -10.622 21.464 1.00 34.12 H new ATOM 0 HD13 LEU A 34 -5.991 -11.471 22.288 1.00 34.12 H new ATOM 0 HD21 LEU A 34 -7.442 -8.915 23.211 1.00 32.23 H new ATOM 0 HD22 LEU A 34 -7.146 -10.318 24.265 1.00 32.23 H new ATOM 0 HD23 LEU A 34 -6.584 -8.702 24.755 1.00 32.23 H new ATOM 567 N ARG A 35 -2.869 -11.801 26.201 1.00 15.33 N ATOM 568 CA ARG A 35 -1.671 -12.452 26.717 1.00 12.52 C ATOM 569 C ARG A 35 -2.014 -13.794 27.357 1.00 40.22 C ATOM 570 O ARG A 35 -1.317 -14.787 27.150 1.00 70.42 O ATOM 571 CB ARG A 35 -0.975 -11.550 27.739 1.00 34.40 C ATOM 572 CG ARG A 35 0.541 -11.654 27.710 1.00 52.34 C ATOM 573 CD ARG A 35 1.173 -10.909 28.875 1.00 54.30 C ATOM 574 NE ARG A 35 1.672 -11.820 29.901 1.00 62.21 N ATOM 575 CZ ARG A 35 2.593 -11.484 30.797 1.00 21.03 C ATOM 576 NH1 ARG A 35 3.112 -10.264 30.794 1.00 13.22 N ATOM 577 NH2 ARG A 35 2.997 -12.369 31.700 1.00 73.23 N ATOM 0 H ARG A 35 -3.071 -10.894 26.622 1.00 15.33 H new ATOM 0 HA ARG A 35 -0.996 -12.630 25.880 1.00 12.52 H new ATOM 0 HB2 ARG A 35 -1.263 -10.515 27.554 1.00 34.40 H new ATOM 0 HB3 ARG A 35 -1.329 -11.806 28.738 1.00 34.40 H new ATOM 0 HG2 ARG A 35 0.836 -12.703 27.745 1.00 52.34 H new ATOM 0 HG3 ARG A 35 0.917 -11.248 26.771 1.00 52.34 H new ATOM 0 HD2 ARG A 35 1.993 -10.292 28.508 1.00 54.30 H new ATOM 0 HD3 ARG A 35 0.439 -10.235 29.315 1.00 54.30 H new ATOM 0 HE ARG A 35 1.293 -12.766 29.931 1.00 62.21 H new ATOM 0 HH11 ARG A 35 2.804 -9.580 30.102 1.00 13.22 H new ATOM 0 HH12 ARG A 35 3.819 -10.009 31.483 1.00 13.22 H new ATOM 0 HH21 ARG A 35 2.600 -13.309 31.706 1.00 73.23 H new ATOM 0 HH22 ARG A 35 3.704 -12.110 32.387 1.00 73.23 H new ATOM 591 N ASP A 36 -3.091 -13.815 28.134 1.00 1.23 N ATOM 592 CA ASP A 36 -3.527 -15.035 28.804 1.00 42.31 C ATOM 593 C ASP A 36 -3.554 -16.209 27.830 1.00 13.14 C ATOM 594 O ASP A 36 -3.037 -17.285 28.127 1.00 61.44 O ATOM 595 CB ASP A 36 -4.912 -14.836 29.422 1.00 43.23 C ATOM 596 CG ASP A 36 -5.691 -16.132 29.525 1.00 12.10 C ATOM 597 OD1 ASP A 36 -5.195 -17.073 30.180 1.00 44.25 O ATOM 598 OD2 ASP A 36 -6.798 -16.205 28.952 1.00 32.32 O ATOM 0 H ASP A 36 -3.678 -13.001 28.316 1.00 1.23 H new ATOM 0 HA ASP A 36 -2.814 -15.260 29.597 1.00 42.31 H new ATOM 0 HB2 ASP A 36 -4.804 -14.400 30.415 1.00 43.23 H new ATOM 0 HB3 ASP A 36 -5.476 -14.123 28.821 1.00 43.23 H new ATOM 603 N MET A 37 -4.162 -15.993 26.669 1.00 75.45 N ATOM 604 CA MET A 37 -4.257 -17.034 25.651 1.00 32.35 C ATOM 605 C MET A 37 -3.057 -16.987 24.711 1.00 2.35 C ATOM 606 O MET A 37 -2.249 -17.915 24.671 1.00 21.43 O ATOM 607 CB MET A 37 -5.552 -16.879 24.852 1.00 73.51 C ATOM 608 CG MET A 37 -5.729 -17.934 23.772 1.00 74.23 C ATOM 609 SD MET A 37 -7.397 -18.618 23.735 1.00 33.15 S ATOM 610 CE MET A 37 -7.256 -19.783 22.382 1.00 32.13 C ATOM 0 H MET A 37 -4.596 -15.107 26.409 1.00 75.45 H new ATOM 0 HA MET A 37 -4.263 -18.000 26.155 1.00 32.35 H new ATOM 0 HB2 MET A 37 -6.399 -16.925 25.536 1.00 73.51 H new ATOM 0 HB3 MET A 37 -5.569 -15.892 24.390 1.00 73.51 H new ATOM 0 HG2 MET A 37 -5.499 -17.496 22.801 1.00 74.23 H new ATOM 0 HG3 MET A 37 -5.014 -18.740 23.936 1.00 74.23 H new ATOM 0 HE1 MET A 37 -8.211 -20.288 22.235 1.00 32.13 H new ATOM 0 HE2 MET A 37 -6.983 -19.251 21.471 1.00 32.13 H new ATOM 0 HE3 MET A 37 -6.488 -20.520 22.615 1.00 32.13 H new ATOM 620 N THR A 38 -2.945 -15.899 23.955 1.00 13.24 N ATOM 621 CA THR A 38 -1.845 -15.731 23.015 1.00 63.21 C ATOM 622 C THR A 38 -0.517 -16.134 23.645 1.00 24.13 C ATOM 623 O THR A 38 0.294 -16.822 23.023 1.00 5.44 O ATOM 624 CB THR A 38 -1.745 -14.276 22.521 1.00 41.24 C ATOM 625 OG1 THR A 38 -1.356 -13.418 23.599 1.00 13.31 O ATOM 626 CG2 THR A 38 -3.073 -13.807 21.946 1.00 12.02 C ATOM 0 H THR A 38 -3.604 -15.121 23.976 1.00 13.24 H new ATOM 0 HA THR A 38 -2.053 -16.382 22.166 1.00 63.21 H new ATOM 0 HB THR A 38 -0.992 -14.234 21.734 1.00 41.24 H new ATOM 0 HG1 THR A 38 -1.925 -13.592 24.378 1.00 13.31 H new ATOM 0 HG21 THR A 38 -2.978 -12.777 21.604 1.00 12.02 H new ATOM 0 HG22 THR A 38 -3.351 -14.444 21.106 1.00 12.02 H new ATOM 0 HG23 THR A 38 -3.843 -13.864 22.715 1.00 12.02 H new ATOM 634 N LEU A 39 -0.300 -15.703 24.883 1.00 22.00 N ATOM 635 CA LEU A 39 0.931 -16.020 25.599 1.00 42.11 C ATOM 636 C LEU A 39 0.666 -17.015 26.724 1.00 10.23 C ATOM 637 O LEU A 39 0.596 -18.222 26.495 1.00 22.22 O ATOM 638 CB LEU A 39 1.557 -14.745 26.167 1.00 54.30 C ATOM 639 CG LEU A 39 2.499 -13.985 25.232 1.00 32.23 C ATOM 640 CD1 LEU A 39 1.707 -13.223 24.181 1.00 65.24 C ATOM 641 CD2 LEU A 39 3.387 -13.037 26.025 1.00 33.21 C ATOM 0 H LEU A 39 -0.960 -15.133 25.412 1.00 22.00 H new ATOM 0 HA LEU A 39 1.626 -16.475 24.893 1.00 42.11 H new ATOM 0 HB2 LEU A 39 0.754 -14.072 26.466 1.00 54.30 H new ATOM 0 HB3 LEU A 39 2.107 -15.006 27.071 1.00 54.30 H new ATOM 0 HG LEU A 39 3.137 -14.708 24.723 1.00 32.23 H new ATOM 0 HD11 LEU A 39 2.394 -12.688 23.525 1.00 65.24 H new ATOM 0 HD12 LEU A 39 1.115 -13.924 23.593 1.00 65.24 H new ATOM 0 HD13 LEU A 39 1.044 -12.510 24.671 1.00 65.24 H new ATOM 0 HD21 LEU A 39 4.051 -12.505 25.344 1.00 33.21 H new ATOM 0 HD22 LEU A 39 2.766 -12.319 26.561 1.00 33.21 H new ATOM 0 HD23 LEU A 39 3.981 -13.607 26.739 1.00 33.21 H new ATOM 784 N GLY A 49 -1.246 1.397 38.490 1.00 61.40 N ATOM 785 CA GLY A 49 0.024 2.100 38.492 1.00 35.03 C ATOM 786 C GLY A 49 1.060 1.429 37.613 1.00 73.03 C ATOM 787 O GLY A 49 2.164 1.944 37.442 1.00 63.43 O ATOM 0 HA2 GLY A 49 -0.130 3.123 38.150 1.00 35.03 H new ATOM 0 HA3 GLY A 49 0.401 2.159 39.513 1.00 35.03 H new ATOM 791 N GLU A 50 0.703 0.276 37.055 1.00 43.11 N ATOM 792 CA GLU A 50 1.613 -0.467 36.190 1.00 14.24 C ATOM 793 C GLU A 50 2.045 0.382 34.998 1.00 73.31 C ATOM 794 O GLU A 50 3.147 0.220 34.473 1.00 4.03 O ATOM 795 CB GLU A 50 0.947 -1.754 35.700 1.00 65.53 C ATOM 796 CG GLU A 50 1.936 -2.852 35.341 1.00 14.42 C ATOM 797 CD GLU A 50 1.277 -4.025 34.642 1.00 54.42 C ATOM 798 OE1 GLU A 50 0.032 -4.121 34.692 1.00 64.34 O ATOM 799 OE2 GLU A 50 2.004 -4.846 34.045 1.00 2.54 O ATOM 0 H GLU A 50 -0.208 -0.163 37.186 1.00 43.11 H new ATOM 0 HA GLU A 50 2.499 -0.723 36.771 1.00 14.24 H new ATOM 0 HB2 GLU A 50 0.273 -2.122 36.474 1.00 65.53 H new ATOM 0 HB3 GLU A 50 0.336 -1.527 34.827 1.00 65.53 H new ATOM 0 HG2 GLU A 50 2.713 -2.440 34.697 1.00 14.42 H new ATOM 0 HG3 GLU A 50 2.428 -3.204 36.248 1.00 14.42 H new ATOM 806 N LEU A 51 1.168 1.286 34.574 1.00 24.24 N ATOM 807 CA LEU A 51 1.458 2.161 33.443 1.00 34.53 C ATOM 808 C LEU A 51 1.513 3.620 33.884 1.00 70.24 C ATOM 809 O LEU A 51 2.328 4.397 33.387 1.00 32.23 O ATOM 810 CB LEU A 51 0.399 1.985 32.353 1.00 32.44 C ATOM 811 CG LEU A 51 0.787 2.469 30.956 1.00 11.20 C ATOM 812 CD1 LEU A 51 -0.043 1.761 29.896 1.00 4.21 C ATOM 813 CD2 LEU A 51 0.618 3.978 30.849 1.00 70.34 C ATOM 0 H LEU A 51 0.251 1.432 34.996 1.00 24.24 H new ATOM 0 HA LEU A 51 2.433 1.885 33.042 1.00 34.53 H new ATOM 0 HB2 LEU A 51 0.143 0.927 32.291 1.00 32.44 H new ATOM 0 HB3 LEU A 51 -0.503 2.514 32.662 1.00 32.44 H new ATOM 0 HG LEU A 51 1.836 2.228 30.787 1.00 11.20 H new ATOM 0 HD11 LEU A 51 0.247 2.118 28.908 1.00 4.21 H new ATOM 0 HD12 LEU A 51 0.128 0.686 29.958 1.00 4.21 H new ATOM 0 HD13 LEU A 51 -1.100 1.970 30.062 1.00 4.21 H new ATOM 0 HD21 LEU A 51 0.899 4.305 29.848 1.00 70.34 H new ATOM 0 HD22 LEU A 51 -0.422 4.242 31.039 1.00 70.34 H new ATOM 0 HD23 LEU A 51 1.257 4.469 31.584 1.00 70.34 H new ATOM 825 N GLU A 52 0.642 3.984 34.820 1.00 71.33 N ATOM 826 CA GLU A 52 0.593 5.350 35.328 1.00 65.35 C ATOM 827 C GLU A 52 1.791 5.638 36.229 1.00 35.20 C ATOM 828 O GLU A 52 2.535 6.591 36.005 1.00 65.25 O ATOM 829 CB GLU A 52 -0.707 5.585 36.098 1.00 54.21 C ATOM 830 CG GLU A 52 -0.763 6.931 36.801 1.00 54.11 C ATOM 831 CD GLU A 52 -0.444 8.087 35.874 1.00 44.45 C ATOM 832 OE1 GLU A 52 -0.731 7.975 34.664 1.00 52.43 O ATOM 833 OE2 GLU A 52 0.094 9.105 36.359 1.00 63.23 O ATOM 0 H GLU A 52 -0.039 3.352 35.242 1.00 71.33 H new ATOM 0 HA GLU A 52 0.629 6.029 34.476 1.00 65.35 H new ATOM 0 HB2 GLU A 52 -1.547 5.510 35.408 1.00 54.21 H new ATOM 0 HB3 GLU A 52 -0.830 4.793 36.837 1.00 54.21 H new ATOM 0 HG2 GLU A 52 -1.757 7.074 37.225 1.00 54.11 H new ATOM 0 HG3 GLU A 52 -0.058 6.932 37.633 1.00 54.11 H new ATOM 840 N GLY A 53 1.968 4.806 37.251 1.00 11.24 N ATOM 841 CA GLY A 53 3.075 4.988 38.172 1.00 12.21 C ATOM 842 C GLY A 53 4.401 4.559 37.576 1.00 0.34 C ATOM 843 O GLY A 53 5.338 5.354 37.491 1.00 10.41 O ATOM 0 H GLY A 53 1.365 4.010 37.458 1.00 11.24 H new ATOM 0 HA2 GLY A 53 3.133 6.037 38.463 1.00 12.21 H new ATOM 0 HA3 GLY A 53 2.886 4.416 39.080 1.00 12.21 H new ATOM 847 N LEU A 54 4.483 3.299 37.165 1.00 53.05 N ATOM 848 CA LEU A 54 5.705 2.765 36.575 1.00 63.42 C ATOM 849 C LEU A 54 5.980 3.404 35.218 1.00 43.42 C ATOM 850 O LEU A 54 5.328 4.376 34.835 1.00 13.12 O ATOM 851 CB LEU A 54 5.600 1.246 36.424 1.00 64.05 C ATOM 852 CG LEU A 54 5.894 0.424 37.679 1.00 12.54 C ATOM 853 CD1 LEU A 54 4.633 -0.272 38.168 1.00 3.02 C ATOM 854 CD2 LEU A 54 6.995 -0.590 37.408 1.00 72.22 C ATOM 0 H LEU A 54 3.718 2.628 37.229 1.00 53.05 H new ATOM 0 HA LEU A 54 6.534 3.002 37.242 1.00 63.42 H new ATOM 0 HB2 LEU A 54 4.593 1.004 36.083 1.00 64.05 H new ATOM 0 HB3 LEU A 54 6.287 0.931 35.639 1.00 64.05 H new ATOM 0 HG LEU A 54 6.237 1.101 38.461 1.00 12.54 H new ATOM 0 HD11 LEU A 54 4.861 -0.852 39.062 1.00 3.02 H new ATOM 0 HD12 LEU A 54 3.874 0.474 38.404 1.00 3.02 H new ATOM 0 HD13 LEU A 54 4.259 -0.937 37.389 1.00 3.02 H new ATOM 0 HD21 LEU A 54 7.190 -1.166 38.313 1.00 72.22 H new ATOM 0 HD22 LEU A 54 6.681 -1.263 36.610 1.00 72.22 H new ATOM 0 HD23 LEU A 54 7.904 -0.069 37.106 1.00 72.22 H new ATOM 866 N ILE A 55 6.948 2.852 34.494 1.00 1.03 N ATOM 867 CA ILE A 55 7.307 3.367 33.179 1.00 75.04 C ATOM 868 C ILE A 55 7.192 2.282 32.114 1.00 65.54 C ATOM 869 O ILE A 55 7.205 1.086 32.407 1.00 65.23 O ATOM 870 CB ILE A 55 8.739 3.934 33.167 1.00 74.43 C ATOM 871 CG1 ILE A 55 9.723 2.903 33.723 1.00 70.33 C ATOM 872 CG2 ILE A 55 8.804 5.224 33.970 1.00 23.12 C ATOM 873 CD1 ILE A 55 11.122 3.445 33.914 1.00 61.11 C ATOM 0 H ILE A 55 7.498 2.048 34.796 1.00 1.03 H new ATOM 0 HA ILE A 55 6.606 4.171 32.953 1.00 75.04 H new ATOM 0 HB ILE A 55 9.018 4.156 32.137 1.00 74.43 H new ATOM 0 HG12 ILE A 55 9.350 2.536 34.679 1.00 70.33 H new ATOM 0 HG13 ILE A 55 9.762 2.049 33.047 1.00 70.33 H new ATOM 0 HG21 ILE A 55 9.822 5.613 33.952 1.00 23.12 H new ATOM 0 HG22 ILE A 55 8.127 5.959 33.534 1.00 23.12 H new ATOM 0 HG23 ILE A 55 8.509 5.026 35.001 1.00 23.12 H new ATOM 0 HD11 ILE A 55 11.765 2.660 34.311 1.00 61.11 H new ATOM 0 HD12 ILE A 55 11.514 3.786 32.956 1.00 61.11 H new ATOM 0 HD13 ILE A 55 11.096 4.281 34.613 1.00 61.11 H new ATOM 885 N PRO A 56 7.080 2.706 30.846 1.00 33.32 N ATOM 886 CA PRO A 56 6.964 1.786 29.711 1.00 72.41 C ATOM 887 C PRO A 56 8.259 1.027 29.445 1.00 65.10 C ATOM 888 O PRO A 56 8.240 -0.158 29.111 1.00 34.05 O ATOM 889 CB PRO A 56 6.635 2.711 28.537 1.00 63.15 C ATOM 890 CG PRO A 56 7.196 4.034 28.929 1.00 51.33 C ATOM 891 CD PRO A 56 7.057 4.116 30.424 1.00 42.23 C ATOM 0 HA PRO A 56 6.214 1.015 29.887 1.00 72.41 H new ATOM 0 HB2 PRO A 56 7.082 2.350 27.611 1.00 63.15 H new ATOM 0 HB3 PRO A 56 5.560 2.771 28.369 1.00 63.15 H new ATOM 0 HG2 PRO A 56 8.240 4.119 28.629 1.00 51.33 H new ATOM 0 HG3 PRO A 56 6.657 4.846 28.442 1.00 51.33 H new ATOM 0 HD2 PRO A 56 7.872 4.683 30.873 1.00 42.23 H new ATOM 0 HD3 PRO A 56 6.129 4.608 30.715 1.00 42.23 H new ATOM 899 N VAL A 57 9.386 1.717 29.595 1.00 14.11 N ATOM 900 CA VAL A 57 10.691 1.108 29.373 1.00 63.44 C ATOM 901 C VAL A 57 10.950 -0.017 30.369 1.00 10.44 C ATOM 902 O VAL A 57 11.805 -0.873 30.146 1.00 24.32 O ATOM 903 CB VAL A 57 11.822 2.147 29.483 1.00 2.32 C ATOM 904 CG1 VAL A 57 13.150 1.539 29.059 1.00 3.01 C ATOM 905 CG2 VAL A 57 11.499 3.377 28.648 1.00 74.32 C ATOM 0 H VAL A 57 9.420 2.699 29.870 1.00 14.11 H new ATOM 0 HA VAL A 57 10.681 0.699 28.363 1.00 63.44 H new ATOM 0 HB VAL A 57 11.907 2.455 30.525 1.00 2.32 H new ATOM 0 HG11 VAL A 57 13.937 2.289 29.144 1.00 3.01 H new ATOM 0 HG12 VAL A 57 13.385 0.692 29.704 1.00 3.01 H new ATOM 0 HG13 VAL A 57 13.081 1.200 28.025 1.00 3.01 H new ATOM 0 HG21 VAL A 57 12.309 4.101 28.738 1.00 74.32 H new ATOM 0 HG22 VAL A 57 11.385 3.088 27.603 1.00 74.32 H new ATOM 0 HG23 VAL A 57 10.571 3.825 29.004 1.00 74.32 H new ATOM 915 N ASP A 58 10.205 -0.007 31.469 1.00 21.43 N ATOM 916 CA ASP A 58 10.352 -1.027 32.501 1.00 63.50 C ATOM 917 C ASP A 58 9.332 -2.145 32.310 1.00 54.03 C ATOM 918 O ASP A 58 9.695 -3.307 32.124 1.00 20.22 O ATOM 919 CB ASP A 58 10.193 -0.406 33.889 1.00 15.03 C ATOM 920 CG ASP A 58 10.675 -1.325 34.994 1.00 24.01 C ATOM 921 OD1 ASP A 58 11.058 -2.473 34.686 1.00 21.42 O ATOM 922 OD2 ASP A 58 10.671 -0.896 36.167 1.00 44.45 O ATOM 0 H ASP A 58 9.493 0.696 31.669 1.00 21.43 H new ATOM 0 HA ASP A 58 11.351 -1.453 32.415 1.00 63.50 H new ATOM 0 HB2 ASP A 58 10.750 0.530 33.931 1.00 15.03 H new ATOM 0 HB3 ASP A 58 9.144 -0.161 34.056 1.00 15.03 H new ATOM 927 N LEU A 59 8.054 -1.786 32.357 1.00 35.22 N ATOM 928 CA LEU A 59 6.979 -2.759 32.190 1.00 1.32 C ATOM 929 C LEU A 59 7.139 -3.528 30.883 1.00 64.20 C ATOM 930 O LEU A 59 6.863 -4.726 30.818 1.00 0.41 O ATOM 931 CB LEU A 59 5.620 -2.057 32.219 1.00 42.13 C ATOM 932 CG LEU A 59 4.770 -2.189 30.955 1.00 74.40 C ATOM 933 CD1 LEU A 59 3.305 -1.926 31.267 1.00 11.53 C ATOM 934 CD2 LEU A 59 5.266 -1.239 29.876 1.00 44.34 C ATOM 0 H LEU A 59 7.736 -0.829 32.509 1.00 35.22 H new ATOM 0 HA LEU A 59 7.032 -3.468 33.016 1.00 1.32 H new ATOM 0 HB2 LEU A 59 5.048 -2.450 33.060 1.00 42.13 H new ATOM 0 HB3 LEU A 59 5.785 -0.997 32.413 1.00 42.13 H new ATOM 0 HG LEU A 59 4.864 -3.209 30.583 1.00 74.40 H new ATOM 0 HD11 LEU A 59 2.716 -2.024 30.355 1.00 11.53 H new ATOM 0 HD12 LEU A 59 2.955 -2.648 32.005 1.00 11.53 H new ATOM 0 HD13 LEU A 59 3.193 -0.917 31.664 1.00 11.53 H new ATOM 0 HD21 LEU A 59 4.649 -1.347 28.984 1.00 44.34 H new ATOM 0 HD22 LEU A 59 5.204 -0.213 30.238 1.00 44.34 H new ATOM 0 HD23 LEU A 59 6.302 -1.475 29.631 1.00 44.34 H new ATOM 946 N ALA A 60 7.590 -2.832 29.844 1.00 32.31 N ATOM 947 CA ALA A 60 7.791 -3.451 28.540 1.00 43.12 C ATOM 948 C ALA A 60 8.838 -4.557 28.613 1.00 71.52 C ATOM 949 O ALA A 60 8.667 -5.625 28.026 1.00 35.30 O ATOM 950 CB ALA A 60 8.200 -2.402 27.516 1.00 74.23 C ATOM 0 H ALA A 60 7.823 -1.840 29.880 1.00 32.31 H new ATOM 0 HA ALA A 60 6.848 -3.899 28.229 1.00 43.12 H new ATOM 0 HB1 ALA A 60 8.347 -2.878 26.546 1.00 74.23 H new ATOM 0 HB2 ALA A 60 7.417 -1.648 27.435 1.00 74.23 H new ATOM 0 HB3 ALA A 60 9.129 -1.928 27.832 1.00 74.23 H new ATOM 956 N GLU A 61 9.922 -4.294 29.336 1.00 12.11 N ATOM 957 CA GLU A 61 10.997 -5.268 29.483 1.00 35.34 C ATOM 958 C GLU A 61 10.461 -6.591 30.025 1.00 44.13 C ATOM 959 O GLU A 61 10.966 -7.663 29.687 1.00 54.33 O ATOM 960 CB GLU A 61 12.083 -4.726 30.414 1.00 12.35 C ATOM 961 CG GLU A 61 12.953 -3.656 29.776 1.00 13.34 C ATOM 962 CD GLU A 61 14.053 -4.238 28.911 1.00 24.13 C ATOM 963 OE1 GLU A 61 14.460 -5.391 29.167 1.00 44.04 O ATOM 964 OE2 GLU A 61 14.508 -3.542 27.980 1.00 51.22 O ATOM 0 H GLU A 61 10.079 -3.415 29.829 1.00 12.11 H new ATOM 0 HA GLU A 61 11.429 -5.446 28.498 1.00 35.34 H new ATOM 0 HB2 GLU A 61 11.612 -4.315 31.307 1.00 12.35 H new ATOM 0 HB3 GLU A 61 12.716 -5.551 30.739 1.00 12.35 H new ATOM 0 HG2 GLU A 61 12.329 -2.999 29.170 1.00 13.34 H new ATOM 0 HG3 GLU A 61 13.398 -3.041 30.558 1.00 13.34 H new ATOM 971 N LEU A 62 9.438 -6.507 30.867 1.00 33.51 N ATOM 972 CA LEU A 62 8.833 -7.697 31.457 1.00 61.13 C ATOM 973 C LEU A 62 8.024 -8.468 30.419 1.00 72.02 C ATOM 974 O LEU A 62 8.122 -9.692 30.324 1.00 74.23 O ATOM 975 CB LEU A 62 7.936 -7.308 32.633 1.00 2.30 C ATOM 976 CG LEU A 62 7.073 -8.426 33.218 1.00 70.21 C ATOM 977 CD1 LEU A 62 5.882 -8.709 32.315 1.00 1.23 C ATOM 978 CD2 LEU A 62 7.900 -9.687 33.423 1.00 44.24 C ATOM 0 H LEU A 62 9.009 -5.628 31.157 1.00 33.51 H new ATOM 0 HA LEU A 62 9.635 -8.341 31.818 1.00 61.13 H new ATOM 0 HB2 LEU A 62 8.566 -6.909 33.428 1.00 2.30 H new ATOM 0 HB3 LEU A 62 7.279 -6.500 32.311 1.00 2.30 H new ATOM 0 HG LEU A 62 6.698 -8.099 34.188 1.00 70.21 H new ATOM 0 HD11 LEU A 62 5.279 -9.508 32.747 1.00 1.23 H new ATOM 0 HD12 LEU A 62 5.276 -7.808 32.219 1.00 1.23 H new ATOM 0 HD13 LEU A 62 6.236 -9.014 31.330 1.00 1.23 H new ATOM 0 HD21 LEU A 62 7.269 -10.472 33.840 1.00 44.24 H new ATOM 0 HD22 LEU A 62 8.304 -10.017 32.466 1.00 44.24 H new ATOM 0 HD23 LEU A 62 8.720 -9.477 34.110 1.00 44.24 H new ATOM 990 N LEU A 63 7.226 -7.744 29.641 1.00 25.11 N ATOM 991 CA LEU A 63 6.401 -8.359 28.607 1.00 23.54 C ATOM 992 C LEU A 63 7.262 -9.123 27.607 1.00 62.54 C ATOM 993 O LEU A 63 7.006 -10.293 27.319 1.00 62.04 O ATOM 994 CB LEU A 63 5.580 -7.293 27.881 1.00 34.11 C ATOM 995 CG LEU A 63 4.631 -7.801 26.794 1.00 23.14 C ATOM 996 CD1 LEU A 63 3.761 -8.928 27.329 1.00 2.13 C ATOM 997 CD2 LEU A 63 3.769 -6.664 26.265 1.00 62.41 C ATOM 0 H LEU A 63 7.133 -6.730 29.707 1.00 25.11 H new ATOM 0 HA LEU A 63 5.724 -9.064 29.089 1.00 23.54 H new ATOM 0 HB2 LEU A 63 4.994 -6.748 28.621 1.00 34.11 H new ATOM 0 HB3 LEU A 63 6.268 -6.578 27.430 1.00 34.11 H new ATOM 0 HG LEU A 63 5.228 -8.191 25.970 1.00 23.14 H new ATOM 0 HD11 LEU A 63 3.092 -9.277 26.542 1.00 2.13 H new ATOM 0 HD12 LEU A 63 4.394 -9.752 27.658 1.00 2.13 H new ATOM 0 HD13 LEU A 63 3.172 -8.564 28.171 1.00 2.13 H new ATOM 0 HD21 LEU A 63 3.100 -7.044 25.493 1.00 62.41 H new ATOM 0 HD22 LEU A 63 3.180 -6.244 27.081 1.00 62.41 H new ATOM 0 HD23 LEU A 63 4.408 -5.889 25.842 1.00 62.41 H new ATOM 1009 N ILE A 64 8.284 -8.456 27.082 1.00 51.43 N ATOM 1010 CA ILE A 64 9.184 -9.073 26.116 1.00 22.00 C ATOM 1011 C ILE A 64 9.863 -10.305 26.706 1.00 13.52 C ATOM 1012 O ILE A 64 10.221 -11.235 25.984 1.00 41.41 O ATOM 1013 CB ILE A 64 10.265 -8.084 25.641 1.00 13.41 C ATOM 1014 CG1 ILE A 64 11.165 -7.678 26.810 1.00 51.01 C ATOM 1015 CG2 ILE A 64 9.620 -6.858 25.011 1.00 3.34 C ATOM 1016 CD1 ILE A 64 12.396 -6.908 26.386 1.00 53.43 C ATOM 0 H ILE A 64 8.509 -7.488 27.310 1.00 51.43 H new ATOM 0 HA ILE A 64 8.574 -9.370 25.263 1.00 22.00 H new ATOM 0 HB ILE A 64 10.880 -8.575 24.887 1.00 13.41 H new ATOM 0 HG12 ILE A 64 10.589 -7.070 27.508 1.00 51.01 H new ATOM 0 HG13 ILE A 64 11.474 -8.574 27.348 1.00 51.01 H new ATOM 0 HG21 ILE A 64 10.396 -6.168 24.680 1.00 3.34 H new ATOM 0 HG22 ILE A 64 9.017 -7.163 24.156 1.00 3.34 H new ATOM 0 HG23 ILE A 64 8.984 -6.364 25.745 1.00 3.34 H new ATOM 0 HD11 ILE A 64 12.987 -6.653 27.266 1.00 53.43 H new ATOM 0 HD12 ILE A 64 12.994 -7.521 25.712 1.00 53.43 H new ATOM 0 HD13 ILE A 64 12.095 -5.994 25.874 1.00 53.43 H new ATOM 1028 N SER A 65 10.034 -10.304 28.024 1.00 24.33 N ATOM 1029 CA SER A 65 10.672 -11.421 28.712 1.00 14.14 C ATOM 1030 C SER A 65 9.698 -12.584 28.878 1.00 63.15 C ATOM 1031 O SER A 65 10.107 -13.739 29.001 1.00 1.22 O ATOM 1032 CB SER A 65 11.189 -10.976 30.082 1.00 52.54 C ATOM 1033 OG SER A 65 11.826 -12.045 30.758 1.00 4.24 O ATOM 0 H SER A 65 9.740 -9.543 28.637 1.00 24.33 H new ATOM 0 HA SER A 65 11.513 -11.757 28.105 1.00 14.14 H new ATOM 0 HB2 SER A 65 11.890 -10.150 29.959 1.00 52.54 H new ATOM 0 HB3 SER A 65 10.360 -10.604 30.684 1.00 52.54 H new ATOM 0 HG SER A 65 12.149 -11.735 31.630 1.00 4.24 H new ATOM 1039 N LYS A 66 8.407 -12.271 28.879 1.00 50.03 N ATOM 1040 CA LYS A 66 7.373 -13.288 29.027 1.00 13.02 C ATOM 1041 C LYS A 66 7.598 -14.439 28.052 1.00 32.33 C ATOM 1042 O LYS A 66 7.844 -15.574 28.463 1.00 54.23 O ATOM 1043 CB LYS A 66 5.989 -12.675 28.798 1.00 23.05 C ATOM 1044 CG LYS A 66 4.873 -13.703 28.726 1.00 1.32 C ATOM 1045 CD LYS A 66 4.954 -14.696 29.873 1.00 3.34 C ATOM 1046 CE LYS A 66 3.814 -15.701 29.822 1.00 65.53 C ATOM 1047 NZ LYS A 66 4.285 -17.088 30.096 1.00 50.44 N ATOM 0 H LYS A 66 8.052 -11.320 28.779 1.00 50.03 H new ATOM 0 HA LYS A 66 7.427 -13.680 30.043 1.00 13.02 H new ATOM 0 HB2 LYS A 66 5.774 -11.973 29.604 1.00 23.05 H new ATOM 0 HB3 LYS A 66 6.004 -12.101 27.871 1.00 23.05 H new ATOM 0 HG2 LYS A 66 3.908 -13.196 28.750 1.00 1.32 H new ATOM 0 HG3 LYS A 66 4.929 -14.237 27.777 1.00 1.32 H new ATOM 0 HD2 LYS A 66 5.907 -15.223 29.833 1.00 3.34 H new ATOM 0 HD3 LYS A 66 4.926 -14.160 30.822 1.00 3.34 H new ATOM 0 HE2 LYS A 66 3.053 -15.425 30.552 1.00 65.53 H new ATOM 0 HE3 LYS A 66 3.342 -15.665 28.840 1.00 65.53 H new ATOM 0 HZ1 LYS A 66 3.479 -17.743 30.052 1.00 50.44 H new ATOM 0 HZ2 LYS A 66 4.992 -17.361 29.384 1.00 50.44 H new ATOM 0 HZ3 LYS A 66 4.713 -17.129 31.043 1.00 50.44 H new ATOM 1061 N TYR A 67 7.514 -14.140 26.761 1.00 53.20 N ATOM 1062 CA TYR A 67 7.707 -15.150 25.728 1.00 63.32 C ATOM 1063 C TYR A 67 8.688 -14.663 24.666 1.00 52.54 C ATOM 1064 O TYR A 67 9.521 -15.424 24.177 1.00 71.33 O ATOM 1065 CB TYR A 67 6.370 -15.508 25.078 1.00 52.14 C ATOM 1066 CG TYR A 67 5.991 -16.963 25.233 1.00 35.25 C ATOM 1067 CD1 TYR A 67 5.818 -17.526 26.492 1.00 53.30 C ATOM 1068 CD2 TYR A 67 5.804 -17.776 24.122 1.00 41.44 C ATOM 1069 CE1 TYR A 67 5.472 -18.855 26.639 1.00 60.11 C ATOM 1070 CE2 TYR A 67 5.457 -19.106 24.259 1.00 12.30 C ATOM 1071 CZ TYR A 67 5.293 -19.641 25.520 1.00 55.24 C ATOM 1072 OH TYR A 67 4.947 -20.965 25.662 1.00 73.23 O ATOM 0 H TYR A 67 7.313 -13.206 26.405 1.00 53.20 H new ATOM 0 HA TYR A 67 8.123 -16.040 26.200 1.00 63.32 H new ATOM 0 HB2 TYR A 67 5.586 -14.889 25.514 1.00 52.14 H new ATOM 0 HB3 TYR A 67 6.415 -15.264 24.017 1.00 52.14 H new ATOM 0 HD1 TYR A 67 5.957 -16.914 27.371 1.00 53.30 H new ATOM 0 HD2 TYR A 67 5.932 -17.361 23.133 1.00 41.44 H new ATOM 0 HE1 TYR A 67 5.342 -19.276 27.625 1.00 60.11 H new ATOM 0 HE2 TYR A 67 5.315 -19.723 23.384 1.00 12.30 H new ATOM 0 HH TYR A 67 4.859 -21.377 24.777 1.00 73.23 H new ATOM 1082 N GLY A 68 8.581 -13.385 24.314 1.00 45.35 N ATOM 1083 CA GLY A 68 9.464 -12.815 23.312 1.00 22.32 C ATOM 1084 C GLY A 68 9.086 -11.394 22.947 1.00 51.40 C ATOM 1085 O GLY A 68 7.906 -11.046 22.922 1.00 72.13 O ATOM 0 H GLY A 68 7.899 -12.735 24.704 1.00 45.35 H new ATOM 0 HA2 GLY A 68 10.489 -12.831 23.684 1.00 22.32 H new ATOM 0 HA3 GLY A 68 9.440 -13.435 22.416 1.00 22.32 H new ATOM 1089 N GLU A 69 10.090 -10.569 22.665 1.00 61.41 N ATOM 1090 CA GLU A 69 9.856 -9.177 22.302 1.00 14.31 C ATOM 1091 C GLU A 69 9.034 -9.080 21.020 1.00 51.51 C ATOM 1092 O GLU A 69 8.313 -8.105 20.803 1.00 61.23 O ATOM 1093 CB GLU A 69 11.186 -8.442 22.125 1.00 12.43 C ATOM 1094 CG GLU A 69 12.120 -9.106 21.128 1.00 4.41 C ATOM 1095 CD GLU A 69 13.464 -8.409 21.035 1.00 22.50 C ATOM 1096 OE1 GLU A 69 13.500 -7.246 20.584 1.00 43.24 O ATOM 1097 OE2 GLU A 69 14.480 -9.029 21.414 1.00 22.12 O ATOM 0 H GLU A 69 11.073 -10.841 22.681 1.00 61.41 H new ATOM 0 HA GLU A 69 9.295 -8.707 23.110 1.00 14.31 H new ATOM 0 HB2 GLU A 69 10.987 -7.421 21.799 1.00 12.43 H new ATOM 0 HB3 GLU A 69 11.687 -8.376 23.091 1.00 12.43 H new ATOM 0 HG2 GLU A 69 12.273 -10.146 21.416 1.00 4.41 H new ATOM 0 HG3 GLU A 69 11.650 -9.114 20.145 1.00 4.41 H new ATOM 1104 N LYS A 70 9.148 -10.097 20.173 1.00 42.45 N ATOM 1105 CA LYS A 70 8.417 -10.128 18.912 1.00 73.54 C ATOM 1106 C LYS A 70 6.911 -10.087 19.155 1.00 44.13 C ATOM 1107 O LYS A 70 6.285 -9.033 19.044 1.00 22.44 O ATOM 1108 CB LYS A 70 8.781 -11.385 18.118 1.00 24.33 C ATOM 1109 CG LYS A 70 9.778 -11.131 17.001 1.00 61.33 C ATOM 1110 CD LYS A 70 11.185 -10.936 17.542 1.00 74.34 C ATOM 1111 CE LYS A 70 11.649 -9.497 17.381 1.00 12.21 C ATOM 1112 NZ LYS A 70 12.094 -9.209 15.989 1.00 35.33 N ATOM 0 H LYS A 70 9.740 -10.911 20.337 1.00 42.45 H new ATOM 0 HA LYS A 70 8.699 -9.247 18.336 1.00 73.54 H new ATOM 0 HB2 LYS A 70 9.194 -12.129 18.800 1.00 24.33 H new ATOM 0 HB3 LYS A 70 7.873 -11.812 17.693 1.00 24.33 H new ATOM 0 HG2 LYS A 70 9.768 -11.970 16.305 1.00 61.33 H new ATOM 0 HG3 LYS A 70 9.478 -10.247 16.438 1.00 61.33 H new ATOM 0 HD2 LYS A 70 11.212 -11.213 18.596 1.00 74.34 H new ATOM 0 HD3 LYS A 70 11.872 -11.602 17.020 1.00 74.34 H new ATOM 0 HE2 LYS A 70 10.837 -8.822 17.649 1.00 12.21 H new ATOM 0 HE3 LYS A 70 12.469 -9.300 18.072 1.00 12.21 H new ATOM 0 HZ1 LYS A 70 12.402 -8.218 15.921 1.00 35.33 H new ATOM 0 HZ2 LYS A 70 12.886 -9.836 15.741 1.00 35.33 H new ATOM 0 HZ3 LYS A 70 11.305 -9.372 15.332 1.00 35.33 H new ATOM 1126 N GLU A 71 6.338 -11.239 19.487 1.00 70.30 N ATOM 1127 CA GLU A 71 4.906 -11.332 19.746 1.00 20.51 C ATOM 1128 C GLU A 71 4.459 -10.253 20.728 1.00 44.23 C ATOM 1129 O GLU A 71 3.303 -9.832 20.720 1.00 32.53 O ATOM 1130 CB GLU A 71 4.554 -12.716 20.298 1.00 50.35 C ATOM 1131 CG GLU A 71 5.444 -13.157 21.447 1.00 32.23 C ATOM 1132 CD GLU A 71 5.192 -14.594 21.862 1.00 50.05 C ATOM 1133 OE1 GLU A 71 5.809 -15.501 21.265 1.00 50.10 O ATOM 1134 OE2 GLU A 71 4.377 -14.811 22.783 1.00 4.11 O ATOM 0 H GLU A 71 6.843 -12.120 19.583 1.00 70.30 H new ATOM 0 HA GLU A 71 4.382 -11.180 18.802 1.00 20.51 H new ATOM 0 HB2 GLU A 71 3.517 -12.711 20.634 1.00 50.35 H new ATOM 0 HB3 GLU A 71 4.625 -13.448 19.493 1.00 50.35 H new ATOM 0 HG2 GLU A 71 6.489 -13.045 21.156 1.00 32.23 H new ATOM 0 HG3 GLU A 71 5.279 -12.501 22.302 1.00 32.23 H new ATOM 1141 N ALA A 72 5.385 -9.809 21.572 1.00 61.23 N ATOM 1142 CA ALA A 72 5.088 -8.778 22.558 1.00 22.24 C ATOM 1143 C ALA A 72 4.365 -7.598 21.918 1.00 32.15 C ATOM 1144 O ALA A 72 3.216 -7.306 22.252 1.00 4.23 O ATOM 1145 CB ALA A 72 6.368 -8.311 23.235 1.00 3.01 C ATOM 0 H ALA A 72 6.347 -10.148 21.592 1.00 61.23 H new ATOM 0 HA ALA A 72 4.428 -9.209 23.311 1.00 22.24 H new ATOM 0 HB1 ALA A 72 6.131 -7.541 23.969 1.00 3.01 H new ATOM 0 HB2 ALA A 72 6.844 -9.155 23.735 1.00 3.01 H new ATOM 0 HB3 ALA A 72 7.047 -7.902 22.487 1.00 3.01 H new ATOM 1151 N VAL A 73 5.044 -6.922 20.997 1.00 23.23 N ATOM 1152 CA VAL A 73 4.466 -5.774 20.310 1.00 11.42 C ATOM 1153 C VAL A 73 3.189 -6.160 19.572 1.00 21.34 C ATOM 1154 O VAL A 73 2.216 -5.406 19.554 1.00 3.13 O ATOM 1155 CB VAL A 73 5.460 -5.161 19.306 1.00 5.03 C ATOM 1156 CG1 VAL A 73 4.723 -4.358 18.246 1.00 54.20 C ATOM 1157 CG2 VAL A 73 6.481 -4.295 20.029 1.00 51.30 C ATOM 0 H VAL A 73 5.996 -7.150 20.709 1.00 23.23 H new ATOM 0 HA VAL A 73 4.231 -5.034 21.075 1.00 11.42 H new ATOM 0 HB VAL A 73 5.992 -5.971 18.808 1.00 5.03 H new ATOM 0 HG11 VAL A 73 5.442 -3.933 17.546 1.00 54.20 H new ATOM 0 HG12 VAL A 73 4.035 -5.010 17.708 1.00 54.20 H new ATOM 0 HG13 VAL A 73 4.162 -3.554 18.723 1.00 54.20 H new ATOM 0 HG21 VAL A 73 7.176 -3.870 19.305 1.00 51.30 H new ATOM 0 HG22 VAL A 73 5.968 -3.490 20.555 1.00 51.30 H new ATOM 0 HG23 VAL A 73 7.032 -4.904 20.746 1.00 51.30 H new ATOM 1167 N LYS A 74 3.199 -7.342 18.964 1.00 15.43 N ATOM 1168 CA LYS A 74 2.041 -7.832 18.225 1.00 10.44 C ATOM 1169 C LYS A 74 0.838 -7.999 19.148 1.00 73.02 C ATOM 1170 O LYS A 74 -0.304 -7.779 18.742 1.00 4.11 O ATOM 1171 CB LYS A 74 2.368 -9.165 17.550 1.00 64.13 C ATOM 1172 CG LYS A 74 1.145 -9.899 17.028 1.00 23.21 C ATOM 1173 CD LYS A 74 0.609 -10.887 18.051 1.00 3.40 C ATOM 1174 CE LYS A 74 0.934 -12.321 17.664 1.00 24.34 C ATOM 1175 NZ LYS A 74 1.900 -12.946 18.611 1.00 12.40 N ATOM 0 H LYS A 74 3.996 -7.978 18.969 1.00 15.43 H new ATOM 0 HA LYS A 74 1.791 -7.096 17.460 1.00 10.44 H new ATOM 0 HB2 LYS A 74 3.054 -8.985 16.722 1.00 64.13 H new ATOM 0 HB3 LYS A 74 2.889 -9.805 18.262 1.00 64.13 H new ATOM 0 HG2 LYS A 74 0.367 -9.178 16.775 1.00 23.21 H new ATOM 0 HG3 LYS A 74 1.401 -10.428 16.110 1.00 23.21 H new ATOM 0 HD2 LYS A 74 1.036 -10.667 19.029 1.00 3.40 H new ATOM 0 HD3 LYS A 74 -0.471 -10.769 18.141 1.00 3.40 H new ATOM 0 HE2 LYS A 74 0.016 -12.908 17.642 1.00 24.34 H new ATOM 0 HE3 LYS A 74 1.349 -12.340 16.656 1.00 24.34 H new ATOM 0 HZ1 LYS A 74 1.807 -13.981 18.569 1.00 12.40 H new ATOM 0 HZ2 LYS A 74 2.869 -12.675 18.348 1.00 12.40 H new ATOM 0 HZ3 LYS A 74 1.699 -12.619 19.578 1.00 12.40 H new ATOM 1189 N VAL A 75 1.101 -8.389 20.391 1.00 14.53 N ATOM 1190 CA VAL A 75 0.039 -8.583 21.372 1.00 4.30 C ATOM 1191 C VAL A 75 -0.572 -7.251 21.791 1.00 55.43 C ATOM 1192 O VAL A 75 -1.682 -7.204 22.321 1.00 34.22 O ATOM 1193 CB VAL A 75 0.560 -9.312 22.625 1.00 74.53 C ATOM 1194 CG1 VAL A 75 -0.526 -9.389 23.688 1.00 43.52 C ATOM 1195 CG2 VAL A 75 1.060 -10.702 22.262 1.00 61.43 C ATOM 0 H VAL A 75 2.040 -8.577 20.743 1.00 14.53 H new ATOM 0 HA VAL A 75 -0.725 -9.196 20.894 1.00 4.30 H new ATOM 0 HB VAL A 75 1.396 -8.744 23.034 1.00 74.53 H new ATOM 0 HG11 VAL A 75 -0.140 -9.907 24.566 1.00 43.52 H new ATOM 0 HG12 VAL A 75 -0.834 -8.381 23.968 1.00 43.52 H new ATOM 0 HG13 VAL A 75 -1.384 -9.934 23.293 1.00 43.52 H new ATOM 0 HG21 VAL A 75 1.425 -11.203 23.159 1.00 61.43 H new ATOM 0 HG22 VAL A 75 0.244 -11.281 21.829 1.00 61.43 H new ATOM 0 HG23 VAL A 75 1.870 -10.620 21.538 1.00 61.43 H new ATOM 1205 N VAL A 76 0.159 -6.167 21.548 1.00 31.42 N ATOM 1206 CA VAL A 76 -0.312 -4.833 21.898 1.00 11.34 C ATOM 1207 C VAL A 76 -1.284 -4.300 20.851 1.00 64.40 C ATOM 1208 O VAL A 76 -2.385 -3.856 21.179 1.00 43.25 O ATOM 1209 CB VAL A 76 0.860 -3.844 22.045 1.00 60.32 C ATOM 1210 CG1 VAL A 76 0.439 -2.448 21.613 1.00 74.24 C ATOM 1211 CG2 VAL A 76 1.374 -3.836 23.477 1.00 55.13 C ATOM 0 H VAL A 76 1.080 -6.187 21.110 1.00 31.42 H new ATOM 0 HA VAL A 76 -0.826 -4.921 22.855 1.00 11.34 H new ATOM 0 HB VAL A 76 1.671 -4.170 21.394 1.00 60.32 H new ATOM 0 HG11 VAL A 76 1.280 -1.764 21.724 1.00 74.24 H new ATOM 0 HG12 VAL A 76 0.124 -2.470 20.570 1.00 74.24 H new ATOM 0 HG13 VAL A 76 -0.389 -2.109 22.235 1.00 74.24 H new ATOM 0 HG21 VAL A 76 2.202 -3.132 23.563 1.00 55.13 H new ATOM 0 HG22 VAL A 76 0.571 -3.536 24.150 1.00 55.13 H new ATOM 0 HG23 VAL A 76 1.718 -4.835 23.746 1.00 55.13 H new ATOM 1221 N LEU A 77 -0.870 -4.349 19.590 1.00 42.14 N ATOM 1222 CA LEU A 77 -1.704 -3.872 18.492 1.00 41.11 C ATOM 1223 C LEU A 77 -2.942 -4.747 18.329 1.00 72.43 C ATOM 1224 O LEU A 77 -4.061 -4.245 18.219 1.00 30.43 O ATOM 1225 CB LEU A 77 -0.904 -3.852 17.188 1.00 24.44 C ATOM 1226 CG LEU A 77 -0.293 -5.186 16.756 1.00 40.12 C ATOM 1227 CD1 LEU A 77 -1.186 -5.877 15.737 1.00 14.51 C ATOM 1228 CD2 LEU A 77 1.103 -4.974 16.187 1.00 15.11 C ATOM 0 H LEU A 77 0.038 -4.714 19.302 1.00 42.14 H new ATOM 0 HA LEU A 77 -2.027 -2.858 18.728 1.00 41.11 H new ATOM 0 HB2 LEU A 77 -1.557 -3.499 16.390 1.00 24.44 H new ATOM 0 HB3 LEU A 77 -0.100 -3.123 17.289 1.00 24.44 H new ATOM 0 HG LEU A 77 -0.213 -5.828 17.633 1.00 40.12 H new ATOM 0 HD11 LEU A 77 -0.735 -6.824 15.441 1.00 14.51 H new ATOM 0 HD12 LEU A 77 -2.165 -6.063 16.178 1.00 14.51 H new ATOM 0 HD13 LEU A 77 -1.298 -5.239 14.860 1.00 14.51 H new ATOM 0 HD21 LEU A 77 1.522 -5.934 15.885 1.00 15.11 H new ATOM 0 HD22 LEU A 77 1.047 -4.314 15.321 1.00 15.11 H new ATOM 0 HD23 LEU A 77 1.741 -4.522 16.947 1.00 15.11 H new ATOM 1240 N LYS A 78 -2.735 -6.060 18.315 1.00 2.30 N ATOM 1241 CA LYS A 78 -3.834 -7.007 18.169 1.00 3.00 C ATOM 1242 C LYS A 78 -4.928 -6.733 19.196 1.00 70.23 C ATOM 1243 O LYS A 78 -6.109 -6.675 18.858 1.00 75.25 O ATOM 1244 CB LYS A 78 -3.322 -8.441 18.323 1.00 10.03 C ATOM 1245 CG LYS A 78 -4.375 -9.411 18.829 1.00 31.45 C ATOM 1246 CD LYS A 78 -5.587 -9.447 17.914 1.00 51.34 C ATOM 1247 CE LYS A 78 -6.885 -9.360 18.702 1.00 24.35 C ATOM 1248 NZ LYS A 78 -7.439 -10.708 19.008 1.00 61.43 N ATOM 0 H LYS A 78 -1.815 -6.492 18.403 1.00 2.30 H new ATOM 0 HA LYS A 78 -4.257 -6.884 17.172 1.00 3.00 H new ATOM 0 HB2 LYS A 78 -2.951 -8.791 17.360 1.00 10.03 H new ATOM 0 HB3 LYS A 78 -2.476 -8.444 19.011 1.00 10.03 H new ATOM 0 HG2 LYS A 78 -3.945 -10.410 18.904 1.00 31.45 H new ATOM 0 HG3 LYS A 78 -4.685 -9.122 19.833 1.00 31.45 H new ATOM 0 HD2 LYS A 78 -5.534 -8.620 17.206 1.00 51.34 H new ATOM 0 HD3 LYS A 78 -5.576 -10.367 17.330 1.00 51.34 H new ATOM 0 HE2 LYS A 78 -6.710 -8.820 19.632 1.00 24.35 H new ATOM 0 HE3 LYS A 78 -7.617 -8.787 18.134 1.00 24.35 H new ATOM 0 HZ1 LYS A 78 -8.323 -10.606 19.546 1.00 61.43 H new ATOM 0 HZ2 LYS A 78 -7.630 -11.214 18.120 1.00 61.43 H new ATOM 0 HZ3 LYS A 78 -6.751 -11.246 19.572 1.00 61.43 H new ATOM 1262 N GLY A 79 -4.526 -6.564 20.452 1.00 71.21 N ATOM 1263 CA GLY A 79 -5.485 -6.297 21.508 1.00 70.10 C ATOM 1264 C GLY A 79 -5.991 -4.869 21.484 1.00 52.52 C ATOM 1265 O GLY A 79 -7.075 -4.577 21.992 1.00 70.25 O ATOM 0 H GLY A 79 -3.554 -6.607 20.757 1.00 71.21 H new ATOM 0 HA2 GLY A 79 -6.329 -6.980 21.409 1.00 70.10 H new ATOM 0 HA3 GLY A 79 -5.023 -6.499 22.474 1.00 70.10 H new ATOM 1269 N LEU A 80 -5.206 -3.974 20.894 1.00 24.21 N ATOM 1270 CA LEU A 80 -5.579 -2.567 20.807 1.00 14.20 C ATOM 1271 C LEU A 80 -6.666 -2.356 19.758 1.00 53.11 C ATOM 1272 O LEU A 80 -7.484 -1.442 19.870 1.00 71.40 O ATOM 1273 CB LEU A 80 -4.356 -1.714 20.469 1.00 44.34 C ATOM 1274 CG LEU A 80 -3.844 -0.802 21.584 1.00 3.13 C ATOM 1275 CD1 LEU A 80 -3.302 -1.627 22.741 1.00 3.23 C ATOM 1276 CD2 LEU A 80 -2.775 0.142 21.053 1.00 1.22 C ATOM 0 H LEU A 80 -4.307 -4.198 20.469 1.00 24.21 H new ATOM 0 HA LEU A 80 -5.971 -2.260 21.777 1.00 14.20 H new ATOM 0 HB2 LEU A 80 -3.546 -2.379 20.170 1.00 44.34 H new ATOM 0 HB3 LEU A 80 -4.597 -1.096 19.604 1.00 44.34 H new ATOM 0 HG LEU A 80 -4.679 -0.204 21.950 1.00 3.13 H new ATOM 0 HD11 LEU A 80 -2.942 -0.961 23.525 1.00 3.23 H new ATOM 0 HD12 LEU A 80 -4.095 -2.261 23.139 1.00 3.23 H new ATOM 0 HD13 LEU A 80 -2.480 -2.251 22.389 1.00 3.23 H new ATOM 0 HD21 LEU A 80 -2.422 0.783 21.861 1.00 1.22 H new ATOM 0 HD22 LEU A 80 -1.940 -0.438 20.660 1.00 1.22 H new ATOM 0 HD23 LEU A 80 -3.196 0.758 20.258 1.00 1.22 H new ATOM 1288 N LYS A 81 -6.671 -3.208 18.739 1.00 61.43 N ATOM 1289 CA LYS A 81 -7.659 -3.119 17.670 1.00 10.02 C ATOM 1290 C LYS A 81 -9.075 -3.111 18.238 1.00 42.42 C ATOM 1291 O LYS A 81 -9.822 -2.149 18.056 1.00 44.11 O ATOM 1292 CB LYS A 81 -7.495 -4.289 16.697 1.00 53.40 C ATOM 1293 CG LYS A 81 -6.433 -4.054 15.637 1.00 3.13 C ATOM 1294 CD LYS A 81 -6.982 -4.277 14.238 1.00 2.41 C ATOM 1295 CE LYS A 81 -7.391 -2.965 13.585 1.00 71.42 C ATOM 1296 NZ LYS A 81 -8.708 -3.075 12.899 1.00 52.03 N ATOM 0 H LYS A 81 -6.001 -3.969 18.631 1.00 61.43 H new ATOM 0 HA LYS A 81 -7.495 -2.184 17.135 1.00 10.02 H new ATOM 0 HB2 LYS A 81 -7.241 -5.187 17.261 1.00 53.40 H new ATOM 0 HB3 LYS A 81 -8.450 -4.480 16.207 1.00 53.40 H new ATOM 0 HG2 LYS A 81 -6.053 -3.036 15.721 1.00 3.13 H new ATOM 0 HG3 LYS A 81 -5.591 -4.724 15.809 1.00 3.13 H new ATOM 0 HD2 LYS A 81 -6.228 -4.771 13.625 1.00 2.41 H new ATOM 0 HD3 LYS A 81 -7.842 -4.945 14.285 1.00 2.41 H new ATOM 0 HE2 LYS A 81 -7.440 -2.182 14.342 1.00 71.42 H new ATOM 0 HE3 LYS A 81 -6.630 -2.665 12.865 1.00 71.42 H new ATOM 0 HZ1 LYS A 81 -8.952 -2.161 12.467 1.00 52.03 H new ATOM 0 HZ2 LYS A 81 -8.654 -3.804 12.160 1.00 52.03 H new ATOM 0 HZ3 LYS A 81 -9.439 -3.337 13.591 1.00 52.03 H new ATOM 1310 N VAL A 82 -9.438 -4.188 18.927 1.00 5.45 N ATOM 1311 CA VAL A 82 -10.763 -4.303 19.524 1.00 1.20 C ATOM 1312 C VAL A 82 -11.020 -3.172 20.514 1.00 72.12 C ATOM 1313 O VAL A 82 -12.128 -3.025 21.029 1.00 21.34 O ATOM 1314 CB VAL A 82 -10.938 -5.652 20.246 1.00 70.00 C ATOM 1315 CG1 VAL A 82 -10.575 -5.522 21.717 1.00 4.32 C ATOM 1316 CG2 VAL A 82 -12.362 -6.162 20.083 1.00 0.02 C ATOM 0 H VAL A 82 -8.833 -4.994 19.086 1.00 5.45 H new ATOM 0 HA VAL A 82 -11.484 -4.239 18.709 1.00 1.20 H new ATOM 0 HB VAL A 82 -10.262 -6.377 19.793 1.00 70.00 H new ATOM 0 HG11 VAL A 82 -10.705 -6.485 22.210 1.00 4.32 H new ATOM 0 HG12 VAL A 82 -9.536 -5.205 21.809 1.00 4.32 H new ATOM 0 HG13 VAL A 82 -11.223 -4.783 22.188 1.00 4.32 H new ATOM 0 HG21 VAL A 82 -12.468 -7.116 20.599 1.00 0.02 H new ATOM 0 HG22 VAL A 82 -13.058 -5.440 20.509 1.00 0.02 H new ATOM 0 HG23 VAL A 82 -12.581 -6.296 19.024 1.00 0.02 H new ATOM 1326 N MET A 83 -9.989 -2.375 20.774 1.00 13.20 N ATOM 1327 CA MET A 83 -10.105 -1.255 21.701 1.00 25.23 C ATOM 1328 C MET A 83 -10.261 0.061 20.947 1.00 2.41 C ATOM 1329 O MET A 83 -10.651 1.075 21.524 1.00 2.33 O ATOM 1330 CB MET A 83 -8.878 -1.192 22.613 1.00 45.22 C ATOM 1331 CG MET A 83 -9.035 -0.229 23.778 1.00 13.32 C ATOM 1332 SD MET A 83 -10.373 -0.699 24.892 1.00 72.13 S ATOM 1333 CE MET A 83 -9.551 -0.581 26.478 1.00 25.23 C ATOM 0 H MET A 83 -9.065 -2.484 20.356 1.00 13.20 H new ATOM 0 HA MET A 83 -10.995 -1.411 22.311 1.00 25.23 H new ATOM 0 HB2 MET A 83 -8.673 -2.189 23.002 1.00 45.22 H new ATOM 0 HB3 MET A 83 -8.011 -0.896 22.022 1.00 45.22 H new ATOM 0 HG2 MET A 83 -8.100 -0.186 24.337 1.00 13.32 H new ATOM 0 HG3 MET A 83 -9.223 0.773 23.393 1.00 13.32 H new ATOM 0 HE1 MET A 83 -9.824 -1.438 27.094 1.00 25.23 H new ATOM 0 HE2 MET A 83 -8.471 -0.571 26.328 1.00 25.23 H new ATOM 0 HE3 MET A 83 -9.856 0.338 26.978 1.00 25.23 H new ATOM 1343 N ASN A 84 -9.953 0.038 19.654 1.00 34.23 N ATOM 1344 CA ASN A 84 -10.059 1.231 18.822 1.00 71.54 C ATOM 1345 C ASN A 84 -8.929 2.209 19.127 1.00 70.01 C ATOM 1346 O ASN A 84 -9.127 3.425 19.120 1.00 21.23 O ATOM 1347 CB ASN A 84 -11.412 1.912 19.040 1.00 65.13 C ATOM 1348 CG ASN A 84 -12.077 2.306 17.735 1.00 35.34 C ATOM 1349 OD1 ASN A 84 -12.296 1.469 16.860 1.00 73.53 O ATOM 1350 ND2 ASN A 84 -12.403 3.586 17.600 1.00 1.15 N ATOM 0 H ASN A 84 -9.628 -0.793 19.160 1.00 34.23 H new ATOM 0 HA ASN A 84 -9.978 0.925 17.779 1.00 71.54 H new ATOM 0 HB2 ASN A 84 -12.069 1.240 19.591 1.00 65.13 H new ATOM 0 HB3 ASN A 84 -11.274 2.800 19.657 1.00 65.13 H new ATOM 0 HD21 ASN A 84 -12.854 3.910 16.744 1.00 1.15 H new ATOM 0 HD22 ASN A 84 -12.202 4.245 18.352 1.00 1.15 H new ATOM 1357 N LEU A 85 -7.744 1.671 19.394 1.00 71.03 N ATOM 1358 CA LEU A 85 -6.581 2.496 19.701 1.00 41.01 C ATOM 1359 C LEU A 85 -5.806 2.838 18.433 1.00 45.03 C ATOM 1360 O LEU A 85 -4.590 3.033 18.469 1.00 41.31 O ATOM 1361 CB LEU A 85 -5.667 1.774 20.692 1.00 5.23 C ATOM 1362 CG LEU A 85 -5.709 2.279 22.135 1.00 34.00 C ATOM 1363 CD1 LEU A 85 -5.550 3.791 22.177 1.00 72.15 C ATOM 1364 CD2 LEU A 85 -7.008 1.859 22.809 1.00 64.13 C ATOM 0 H LEU A 85 -7.563 0.667 19.404 1.00 71.03 H new ATOM 0 HA LEU A 85 -6.933 3.424 20.151 1.00 41.01 H new ATOM 0 HB2 LEU A 85 -5.927 0.716 20.691 1.00 5.23 H new ATOM 0 HB3 LEU A 85 -4.641 1.850 20.331 1.00 5.23 H new ATOM 0 HG LEU A 85 -4.878 1.832 22.680 1.00 34.00 H new ATOM 0 HD11 LEU A 85 -5.582 4.132 23.212 1.00 72.15 H new ATOM 0 HD12 LEU A 85 -4.594 4.069 21.733 1.00 72.15 H new ATOM 0 HD13 LEU A 85 -6.360 4.258 21.616 1.00 72.15 H new ATOM 0 HD21 LEU A 85 -7.021 2.227 23.835 1.00 64.13 H new ATOM 0 HD22 LEU A 85 -7.853 2.278 22.263 1.00 64.13 H new ATOM 0 HD23 LEU A 85 -7.081 0.771 22.812 1.00 64.13 H new ATOM 1376 N LEU A 86 -6.516 2.911 17.313 1.00 52.03 N ATOM 1377 CA LEU A 86 -5.895 3.232 16.032 1.00 14.22 C ATOM 1378 C LEU A 86 -5.231 4.604 16.078 1.00 1.42 C ATOM 1379 O LEU A 86 -4.510 4.986 15.157 1.00 61.10 O ATOM 1380 CB LEU A 86 -6.938 3.195 14.914 1.00 55.31 C ATOM 1381 CG LEU A 86 -7.789 4.455 14.748 1.00 73.12 C ATOM 1382 CD1 LEU A 86 -7.252 5.316 13.616 1.00 51.44 C ATOM 1383 CD2 LEU A 86 -9.244 4.086 14.496 1.00 51.41 C ATOM 0 H LEU A 86 -7.522 2.752 17.265 1.00 52.03 H new ATOM 0 HA LEU A 86 -5.128 2.484 15.830 1.00 14.22 H new ATOM 0 HB2 LEU A 86 -6.425 3.001 13.972 1.00 55.31 H new ATOM 0 HB3 LEU A 86 -7.605 2.352 15.094 1.00 55.31 H new ATOM 0 HG LEU A 86 -7.736 5.031 15.672 1.00 73.12 H new ATOM 0 HD11 LEU A 86 -7.870 6.208 13.513 1.00 51.44 H new ATOM 0 HD12 LEU A 86 -6.226 5.609 13.837 1.00 51.44 H new ATOM 0 HD13 LEU A 86 -7.275 4.749 12.685 1.00 51.44 H new ATOM 0 HD21 LEU A 86 -9.835 4.995 14.380 1.00 51.41 H new ATOM 0 HD22 LEU A 86 -9.316 3.488 13.587 1.00 51.41 H new ATOM 0 HD23 LEU A 86 -9.625 3.510 15.340 1.00 51.41 H new ATOM 1395 N GLU A 87 -5.478 5.340 17.158 1.00 64.13 N ATOM 1396 CA GLU A 87 -4.901 6.669 17.324 1.00 54.15 C ATOM 1397 C GLU A 87 -3.388 6.633 17.134 1.00 44.52 C ATOM 1398 O GLU A 87 -2.877 6.961 16.062 1.00 41.21 O ATOM 1399 CB GLU A 87 -5.240 7.227 18.708 1.00 61.05 C ATOM 1400 CG GLU A 87 -4.546 8.542 19.020 1.00 11.20 C ATOM 1401 CD GLU A 87 -5.519 9.635 19.419 1.00 31.42 C ATOM 1402 OE1 GLU A 87 -6.612 9.704 18.818 1.00 23.31 O ATOM 1403 OE2 GLU A 87 -5.188 10.420 20.332 1.00 54.12 O ATOM 0 H GLU A 87 -6.073 5.039 17.930 1.00 64.13 H new ATOM 0 HA GLU A 87 -5.329 7.321 16.563 1.00 54.15 H new ATOM 0 HB2 GLU A 87 -6.318 7.369 18.779 1.00 61.05 H new ATOM 0 HB3 GLU A 87 -4.965 6.492 19.464 1.00 61.05 H new ATOM 0 HG2 GLU A 87 -3.828 8.388 19.826 1.00 11.20 H new ATOM 0 HG3 GLU A 87 -3.980 8.866 18.147 1.00 11.20 H new ATOM 1410 N LEU A 88 -2.675 6.234 18.182 1.00 54.04 N ATOM 1411 CA LEU A 88 -1.220 6.156 18.132 1.00 24.51 C ATOM 1412 C LEU A 88 -0.767 4.970 17.285 1.00 4.53 C ATOM 1413 O LEU A 88 0.338 4.968 16.742 1.00 40.42 O ATOM 1414 CB LEU A 88 -0.647 6.035 19.546 1.00 53.24 C ATOM 1415 CG LEU A 88 -0.818 4.676 20.225 1.00 11.35 C ATOM 1416 CD1 LEU A 88 -2.285 4.277 20.259 1.00 12.03 C ATOM 1417 CD2 LEU A 88 0.009 3.616 19.513 1.00 32.12 C ATOM 0 H LEU A 88 -3.081 5.960 19.076 1.00 54.04 H new ATOM 0 HA LEU A 88 -0.847 7.071 17.672 1.00 24.51 H new ATOM 0 HB2 LEU A 88 0.417 6.268 19.506 1.00 53.24 H new ATOM 0 HB3 LEU A 88 -1.116 6.794 20.173 1.00 53.24 H new ATOM 0 HG LEU A 88 -0.461 4.757 21.252 1.00 11.35 H new ATOM 0 HD11 LEU A 88 -2.387 3.307 20.746 1.00 12.03 H new ATOM 0 HD12 LEU A 88 -2.852 5.024 20.815 1.00 12.03 H new ATOM 0 HD13 LEU A 88 -2.669 4.214 19.241 1.00 12.03 H new ATOM 0 HD21 LEU A 88 -0.125 2.655 20.010 1.00 32.12 H new ATOM 0 HD22 LEU A 88 -0.317 3.536 18.476 1.00 32.12 H new ATOM 0 HD23 LEU A 88 1.062 3.896 19.542 1.00 32.12 H new ATOM 1429 N VAL A 89 -1.628 3.964 17.176 1.00 54.34 N ATOM 1430 CA VAL A 89 -1.319 2.774 16.392 1.00 44.40 C ATOM 1431 C VAL A 89 -0.975 3.139 14.952 1.00 74.31 C ATOM 1432 O VAL A 89 -0.241 2.417 14.276 1.00 14.33 O ATOM 1433 CB VAL A 89 -2.495 1.780 16.392 1.00 11.40 C ATOM 1434 CG1 VAL A 89 -2.335 0.763 15.273 1.00 41.03 C ATOM 1435 CG2 VAL A 89 -2.606 1.087 17.742 1.00 54.34 C ATOM 0 H VAL A 89 -2.546 3.949 17.621 1.00 54.34 H new ATOM 0 HA VAL A 89 -0.455 2.302 16.860 1.00 44.40 H new ATOM 0 HB VAL A 89 -3.417 2.334 16.217 1.00 11.40 H new ATOM 0 HG11 VAL A 89 -3.175 0.069 15.289 1.00 41.03 H new ATOM 0 HG12 VAL A 89 -2.309 1.279 14.313 1.00 41.03 H new ATOM 0 HG13 VAL A 89 -1.406 0.211 15.413 1.00 41.03 H new ATOM 0 HG21 VAL A 89 -3.442 0.388 17.725 1.00 54.34 H new ATOM 0 HG22 VAL A 89 -1.684 0.544 17.949 1.00 54.34 H new ATOM 0 HG23 VAL A 89 -2.772 1.832 18.521 1.00 54.34 H new ATOM 1445 N ASP A 90 -1.511 4.263 14.488 1.00 22.43 N ATOM 1446 CA ASP A 90 -1.260 4.725 13.128 1.00 31.40 C ATOM 1447 C ASP A 90 0.199 4.506 12.740 1.00 71.20 C ATOM 1448 O ASP A 90 0.493 3.848 11.742 1.00 1.23 O ATOM 1449 CB ASP A 90 -1.620 6.205 12.995 1.00 4.31 C ATOM 1450 CG ASP A 90 -1.703 6.653 11.549 1.00 3.42 C ATOM 1451 OD1 ASP A 90 -2.519 6.082 10.796 1.00 31.54 O ATOM 1452 OD2 ASP A 90 -0.952 7.576 11.171 1.00 50.45 O ATOM 0 H ASP A 90 -2.122 4.871 15.034 1.00 22.43 H new ATOM 0 HA ASP A 90 -1.888 4.145 12.452 1.00 31.40 H new ATOM 0 HB2 ASP A 90 -2.576 6.389 13.485 1.00 4.31 H new ATOM 0 HB3 ASP A 90 -0.874 6.806 13.516 1.00 4.31 H new ATOM 1457 N GLN A 91 1.107 5.062 13.535 1.00 42.52 N ATOM 1458 CA GLN A 91 2.535 4.929 13.273 1.00 43.24 C ATOM 1459 C GLN A 91 3.056 3.583 13.764 1.00 33.43 C ATOM 1460 O GLN A 91 3.547 2.771 12.979 1.00 30.40 O ATOM 1461 CB GLN A 91 3.307 6.065 13.947 1.00 62.30 C ATOM 1462 CG GLN A 91 4.530 6.517 13.165 1.00 11.43 C ATOM 1463 CD GLN A 91 5.320 7.590 13.888 1.00 5.02 C ATOM 1464 OE1 GLN A 91 6.454 7.363 14.312 1.00 60.41 O ATOM 1465 NE2 GLN A 91 4.725 8.768 14.033 1.00 43.21 N ATOM 0 H GLN A 91 0.879 5.609 14.366 1.00 42.52 H new ATOM 0 HA GLN A 91 2.687 4.985 12.195 1.00 43.24 H new ATOM 0 HB2 GLN A 91 2.639 6.915 14.085 1.00 62.30 H new ATOM 0 HB3 GLN A 91 3.620 5.742 14.940 1.00 62.30 H new ATOM 0 HG2 GLN A 91 5.176 5.659 12.979 1.00 11.43 H new ATOM 0 HG3 GLN A 91 4.215 6.896 12.192 1.00 11.43 H new ATOM 0 HE21 GLN A 91 3.784 8.913 13.666 1.00 43.21 H new ATOM 0 HE22 GLN A 91 5.209 9.528 14.511 1.00 43.21 H new ATOM 1474 N LEU A 92 2.945 3.352 15.068 1.00 64.42 N ATOM 1475 CA LEU A 92 3.405 2.103 15.665 1.00 23.32 C ATOM 1476 C LEU A 92 3.276 0.947 14.678 1.00 35.13 C ATOM 1477 O LEU A 92 4.230 0.205 14.447 1.00 61.02 O ATOM 1478 CB LEU A 92 2.607 1.797 16.934 1.00 43.01 C ATOM 1479 CG LEU A 92 2.772 0.389 17.507 1.00 13.13 C ATOM 1480 CD1 LEU A 92 1.895 -0.600 16.754 1.00 2.34 C ATOM 1481 CD2 LEU A 92 4.230 -0.041 17.455 1.00 24.11 C ATOM 0 H LEU A 92 2.541 4.013 15.731 1.00 64.42 H new ATOM 0 HA LEU A 92 4.457 2.219 15.924 1.00 23.32 H new ATOM 0 HB2 LEU A 92 2.893 2.516 17.702 1.00 43.01 H new ATOM 0 HB3 LEU A 92 1.550 1.960 16.723 1.00 43.01 H new ATOM 0 HG LEU A 92 2.456 0.403 18.550 1.00 13.13 H new ATOM 0 HD11 LEU A 92 2.026 -1.597 17.176 1.00 2.34 H new ATOM 0 HD12 LEU A 92 0.850 -0.302 16.844 1.00 2.34 H new ATOM 0 HD13 LEU A 92 2.180 -0.611 15.702 1.00 2.34 H new ATOM 0 HD21 LEU A 92 4.328 -1.045 17.867 1.00 24.11 H new ATOM 0 HD22 LEU A 92 4.574 -0.038 16.421 1.00 24.11 H new ATOM 0 HD23 LEU A 92 4.835 0.652 18.040 1.00 24.11 H new ATOM 1493 N SER A 93 2.089 0.801 14.098 1.00 54.51 N ATOM 1494 CA SER A 93 1.833 -0.265 13.137 1.00 42.14 C ATOM 1495 C SER A 93 2.622 -0.038 11.851 1.00 42.42 C ATOM 1496 O SER A 93 3.163 -0.977 11.266 1.00 1.12 O ATOM 1497 CB SER A 93 0.338 -0.350 12.823 1.00 63.22 C ATOM 1498 OG SER A 93 -0.138 0.867 12.276 1.00 13.22 O ATOM 0 H SER A 93 1.289 1.408 14.277 1.00 54.51 H new ATOM 0 HA SER A 93 2.158 -1.206 13.581 1.00 42.14 H new ATOM 0 HB2 SER A 93 0.156 -1.164 12.121 1.00 63.22 H new ATOM 0 HB3 SER A 93 -0.215 -0.585 13.733 1.00 63.22 H new ATOM 0 HG SER A 93 -0.527 1.416 12.989 1.00 13.22 H new ATOM 1504 N HIS A 94 2.684 1.217 11.415 1.00 34.15 N ATOM 1505 CA HIS A 94 3.407 1.569 10.199 1.00 53.52 C ATOM 1506 C HIS A 94 4.899 1.290 10.353 1.00 13.13 C ATOM 1507 O HIS A 94 5.673 1.464 9.412 1.00 70.33 O ATOM 1508 CB HIS A 94 3.185 3.043 9.857 1.00 13.22 C ATOM 1509 CG HIS A 94 3.693 3.427 8.502 1.00 74.15 C ATOM 1510 ND1 HIS A 94 3.732 2.551 7.437 1.00 3.31 N ATOM 1511 CD2 HIS A 94 4.182 4.601 8.039 1.00 4.13 C ATOM 1512 CE1 HIS A 94 4.226 3.170 6.379 1.00 21.33 C ATOM 1513 NE2 HIS A 94 4.507 4.415 6.718 1.00 12.10 N ATOM 0 H HIS A 94 2.242 2.006 11.886 1.00 34.15 H new ATOM 0 HA HIS A 94 3.022 0.953 9.386 1.00 53.52 H new ATOM 0 HB2 HIS A 94 2.119 3.264 9.912 1.00 13.22 H new ATOM 0 HB3 HIS A 94 3.677 3.660 10.609 1.00 13.22 H new ATOM 0 HD2 HIS A 94 4.296 5.515 8.604 1.00 4.13 H new ATOM 0 HE1 HIS A 94 4.375 2.732 5.403 1.00 21.33 H new ATOM 0 HE2 HIS A 94 4.901 5.123 6.099 1.00 12.10 H new ATOM 1521 N ILE A 95 5.294 0.858 11.546 1.00 63.12 N ATOM 1522 CA ILE A 95 6.693 0.555 11.823 1.00 71.45 C ATOM 1523 C ILE A 95 6.880 -0.922 12.155 1.00 11.32 C ATOM 1524 O ILE A 95 7.986 -1.455 12.057 1.00 34.43 O ATOM 1525 CB ILE A 95 7.233 1.404 12.988 1.00 43.32 C ATOM 1526 CG1 ILE A 95 6.790 2.861 12.834 1.00 32.44 C ATOM 1527 CG2 ILE A 95 8.750 1.311 13.052 1.00 24.13 C ATOM 1528 CD1 ILE A 95 7.223 3.748 13.980 1.00 1.11 C ATOM 0 H ILE A 95 4.666 0.710 12.336 1.00 63.12 H new ATOM 0 HA ILE A 95 7.253 0.796 10.919 1.00 71.45 H new ATOM 0 HB ILE A 95 6.824 1.016 13.921 1.00 43.32 H new ATOM 0 HG12 ILE A 95 7.195 3.259 11.904 1.00 32.44 H new ATOM 0 HG13 ILE A 95 5.704 2.895 12.749 1.00 32.44 H new ATOM 0 HG21 ILE A 95 9.117 1.917 13.881 1.00 24.13 H new ATOM 0 HG22 ILE A 95 9.045 0.273 13.203 1.00 24.13 H new ATOM 0 HG23 ILE A 95 9.177 1.677 12.118 1.00 24.13 H new ATOM 0 HD11 ILE A 95 6.875 4.766 13.804 1.00 1.11 H new ATOM 0 HD12 ILE A 95 6.796 3.374 14.911 1.00 1.11 H new ATOM 0 HD13 ILE A 95 8.311 3.744 14.052 1.00 1.11 H new