USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=10 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 -37:sc= 0.00816 USER MOD Single : A 25 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -138:sc= -3.84! (180deg=-6.03!) 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 -53:sc= -0.648 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= 0.953 (180deg=0.905) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 167:sc=-0.00384 (180deg=-0.124) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -145:sc= -3.81 (180deg=-5.98!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.0322 X(o=-0.032,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 164 N ARG A 12 12.100 -4.154 18.584 1.00 3.43 N ATOM 165 CA ARG A 12 12.016 -4.327 20.029 1.00 13.35 C ATOM 166 C ARG A 12 11.688 -3.005 20.717 1.00 11.51 C ATOM 167 O ARG A 12 10.811 -2.943 21.578 1.00 10.00 O ATOM 168 CB ARG A 12 13.331 -4.885 20.575 1.00 20.44 C ATOM 169 CG ARG A 12 14.554 -4.092 20.147 1.00 44.14 C ATOM 170 CD ARG A 12 15.842 -4.799 20.538 1.00 65.30 C ATOM 171 NE ARG A 12 16.903 -3.855 20.882 1.00 75.42 N ATOM 172 CZ ARG A 12 17.600 -3.173 19.980 1.00 13.14 C ATOM 173 NH1 ARG A 12 17.350 -3.328 18.688 1.00 73.44 N ATOM 174 NH2 ARG A 12 18.549 -2.332 20.372 1.00 71.25 N ATOM 0 HA ARG A 12 11.214 -5.035 20.238 1.00 13.35 H new ATOM 0 HB2 ARG A 12 13.284 -4.904 21.664 1.00 20.44 H new ATOM 0 HB3 ARG A 12 13.443 -5.917 20.243 1.00 20.44 H new ATOM 0 HG2 ARG A 12 14.533 -3.943 19.067 1.00 44.14 H new ATOM 0 HG3 ARG A 12 14.527 -3.104 20.606 1.00 44.14 H new ATOM 0 HD2 ARG A 12 15.652 -5.455 21.387 1.00 65.30 H new ATOM 0 HD3 ARG A 12 16.173 -5.431 19.714 1.00 65.30 H new ATOM 0 HE ARG A 12 17.120 -3.712 21.868 1.00 75.42 H new ATOM 0 HH11 ARG A 12 16.620 -3.973 18.383 1.00 73.44 H new ATOM 0 HH12 ARG A 12 17.887 -2.803 17.998 1.00 73.44 H new ATOM 0 HH21 ARG A 12 18.743 -2.209 21.366 1.00 71.25 H new ATOM 0 HH22 ARG A 12 19.084 -1.808 19.679 1.00 71.25 H new ATOM 188 N GLU A 13 12.399 -1.950 20.331 1.00 62.04 N ATOM 189 CA GLU A 13 12.184 -0.630 20.911 1.00 1.14 C ATOM 190 C GLU A 13 10.876 -0.023 20.413 1.00 50.33 C ATOM 191 O GLU A 13 10.319 0.878 21.040 1.00 74.43 O ATOM 192 CB GLU A 13 13.352 0.298 20.571 1.00 22.00 C ATOM 193 CG GLU A 13 14.520 0.185 21.536 1.00 4.10 C ATOM 194 CD GLU A 13 15.564 1.263 21.318 1.00 51.44 C ATOM 195 OE1 GLU A 13 15.178 2.409 21.004 1.00 72.41 O ATOM 196 OE2 GLU A 13 16.767 0.961 21.461 1.00 43.21 O ATOM 0 H GLU A 13 13.129 -1.984 19.619 1.00 62.04 H new ATOM 0 HA GLU A 13 12.123 -0.743 21.993 1.00 1.14 H new ATOM 0 HB2 GLU A 13 13.701 0.074 19.563 1.00 22.00 H new ATOM 0 HB3 GLU A 13 12.996 1.328 20.563 1.00 22.00 H new ATOM 0 HG2 GLU A 13 14.148 0.246 22.559 1.00 4.10 H new ATOM 0 HG3 GLU A 13 14.986 -0.794 21.424 1.00 4.10 H new ATOM 203 N ALA A 14 10.393 -0.522 19.280 1.00 75.20 N ATOM 204 CA ALA A 14 9.150 -0.031 18.697 1.00 1.13 C ATOM 205 C ALA A 14 7.951 -0.413 19.559 1.00 41.33 C ATOM 206 O ALA A 14 6.988 0.347 19.672 1.00 2.05 O ATOM 207 CB ALA A 14 8.980 -0.570 17.285 1.00 44.35 C ATOM 0 H ALA A 14 10.844 -1.266 18.747 1.00 75.20 H new ATOM 0 HA ALA A 14 9.202 1.057 18.655 1.00 1.13 H new ATOM 0 HB1 ALA A 14 8.048 -0.195 16.862 1.00 44.35 H new ATOM 0 HB2 ALA A 14 9.816 -0.242 16.667 1.00 44.35 H new ATOM 0 HB3 ALA A 14 8.954 -1.659 17.312 1.00 44.35 H new ATOM 213 N LEU A 15 8.015 -1.594 20.163 1.00 1.00 N ATOM 214 CA LEU A 15 6.934 -2.077 21.014 1.00 34.44 C ATOM 215 C LEU A 15 6.977 -1.406 22.383 1.00 32.24 C ATOM 216 O LEU A 15 5.939 -1.156 22.997 1.00 15.31 O ATOM 217 CB LEU A 15 7.024 -3.596 21.175 1.00 4.11 C ATOM 218 CG LEU A 15 8.038 -4.103 22.202 1.00 41.34 C ATOM 219 CD1 LEU A 15 7.337 -4.505 23.490 1.00 5.11 C ATOM 220 CD2 LEU A 15 8.831 -5.272 21.636 1.00 73.21 C ATOM 0 H LEU A 15 8.804 -2.235 20.079 1.00 1.00 H new ATOM 0 HA LEU A 15 5.988 -1.824 20.535 1.00 34.44 H new ATOM 0 HB2 LEU A 15 6.039 -3.971 21.451 1.00 4.11 H new ATOM 0 HB3 LEU A 15 7.270 -4.030 20.206 1.00 4.11 H new ATOM 0 HG LEU A 15 8.733 -3.294 22.428 1.00 41.34 H new ATOM 0 HD11 LEU A 15 8.074 -4.863 24.209 1.00 5.11 H new ATOM 0 HD12 LEU A 15 6.815 -3.643 23.905 1.00 5.11 H new ATOM 0 HD13 LEU A 15 6.619 -5.298 23.281 1.00 5.11 H new ATOM 0 HD21 LEU A 15 9.548 -5.620 22.380 1.00 73.21 H new ATOM 0 HD22 LEU A 15 8.150 -6.084 21.381 1.00 73.21 H new ATOM 0 HD23 LEU A 15 9.364 -4.951 20.741 1.00 73.21 H new ATOM 232 N LEU A 16 8.184 -1.115 22.856 1.00 33.40 N ATOM 233 CA LEU A 16 8.363 -0.470 24.152 1.00 31.52 C ATOM 234 C LEU A 16 7.801 0.948 24.137 1.00 22.41 C ATOM 235 O LEU A 16 7.222 1.407 25.122 1.00 62.24 O ATOM 236 CB LEU A 16 9.845 -0.440 24.528 1.00 23.02 C ATOM 237 CG LEU A 16 10.558 -1.793 24.559 1.00 13.35 C ATOM 238 CD1 LEU A 16 12.066 -1.601 24.581 1.00 22.02 C ATOM 239 CD2 LEU A 16 10.104 -2.607 25.763 1.00 43.44 C ATOM 0 H LEU A 16 9.053 -1.316 22.361 1.00 33.40 H new ATOM 0 HA LEU A 16 7.817 -1.049 24.897 1.00 31.52 H new ATOM 0 HB2 LEU A 16 10.365 0.206 23.821 1.00 23.02 H new ATOM 0 HB3 LEU A 16 9.940 0.021 25.511 1.00 23.02 H new ATOM 0 HG LEU A 16 10.296 -2.342 23.654 1.00 13.35 H new ATOM 0 HD11 LEU A 16 12.556 -2.574 24.603 1.00 22.02 H new ATOM 0 HD12 LEU A 16 12.377 -1.058 23.688 1.00 22.02 H new ATOM 0 HD13 LEU A 16 12.348 -1.033 25.468 1.00 22.02 H new ATOM 0 HD21 LEU A 16 10.621 -3.566 25.769 1.00 43.44 H new ATOM 0 HD22 LEU A 16 10.337 -2.063 26.679 1.00 43.44 H new ATOM 0 HD23 LEU A 16 9.029 -2.775 25.704 1.00 43.44 H new ATOM 251 N TRP A 17 7.974 1.635 23.014 1.00 64.30 N ATOM 252 CA TRP A 17 7.482 3.000 22.870 1.00 5.31 C ATOM 253 C TRP A 17 5.967 3.018 22.701 1.00 44.13 C ATOM 254 O TRP A 17 5.295 3.947 23.147 1.00 52.14 O ATOM 255 CB TRP A 17 8.150 3.681 21.674 1.00 11.20 C ATOM 256 CG TRP A 17 8.280 5.166 21.832 1.00 34.01 C ATOM 257 CD1 TRP A 17 7.417 6.118 21.369 1.00 70.02 C ATOM 258 CD2 TRP A 17 9.335 5.868 22.498 1.00 31.10 C ATOM 259 NE1 TRP A 17 7.873 7.370 21.707 1.00 74.45 N ATOM 260 CE2 TRP A 17 9.047 7.243 22.400 1.00 12.34 C ATOM 261 CE3 TRP A 17 10.494 5.469 23.169 1.00 71.41 C ATOM 262 CZ2 TRP A 17 9.877 8.218 22.948 1.00 51.04 C ATOM 263 CZ3 TRP A 17 11.317 6.437 23.711 1.00 12.23 C ATOM 264 CH2 TRP A 17 11.005 7.799 23.599 1.00 70.31 C ATOM 0 H TRP A 17 8.451 1.269 22.190 1.00 64.30 H new ATOM 0 HA TRP A 17 7.733 3.548 23.778 1.00 5.31 H new ATOM 0 HB2 TRP A 17 9.140 3.250 21.527 1.00 11.20 H new ATOM 0 HB3 TRP A 17 7.573 3.468 20.774 1.00 11.20 H new ATOM 0 HD1 TRP A 17 6.510 5.917 20.818 1.00 70.02 H new ATOM 0 HE1 TRP A 17 7.412 8.251 21.479 1.00 74.45 H new ATOM 0 HE3 TRP A 17 10.742 4.422 23.262 1.00 71.41 H new ATOM 0 HZ2 TRP A 17 9.639 9.268 22.862 1.00 51.04 H new ATOM 0 HZ3 TRP A 17 12.216 6.139 24.230 1.00 12.23 H new ATOM 0 HH2 TRP A 17 11.668 8.532 24.035 1.00 70.31 H new ATOM 275 N ALA A 18 5.436 1.986 22.054 1.00 63.32 N ATOM 276 CA ALA A 18 4.000 1.883 21.828 1.00 20.41 C ATOM 277 C ALA A 18 3.267 1.517 23.114 1.00 10.13 C ATOM 278 O ALA A 18 2.457 2.294 23.622 1.00 42.31 O ATOM 279 CB ALA A 18 3.709 0.857 20.743 1.00 73.14 C ATOM 0 H ALA A 18 5.979 1.209 21.677 1.00 63.32 H new ATOM 0 HA ALA A 18 3.638 2.857 21.499 1.00 20.41 H new ATOM 0 HB1 ALA A 18 2.633 0.790 20.585 1.00 73.14 H new ATOM 0 HB2 ALA A 18 4.194 1.161 19.815 1.00 73.14 H new ATOM 0 HB3 ALA A 18 4.091 -0.116 21.051 1.00 73.14 H new ATOM 285 N LEU A 19 3.555 0.330 23.637 1.00 52.21 N ATOM 286 CA LEU A 19 2.922 -0.139 24.865 1.00 60.03 C ATOM 287 C LEU A 19 2.968 0.936 25.946 1.00 24.42 C ATOM 288 O LEU A 19 2.087 1.007 26.802 1.00 11.24 O ATOM 289 CB LEU A 19 3.611 -1.411 25.363 1.00 0.52 C ATOM 290 CG LEU A 19 5.031 -1.237 25.904 1.00 53.31 C ATOM 291 CD1 LEU A 19 4.998 -0.808 27.363 1.00 74.42 C ATOM 292 CD2 LEU A 19 5.824 -2.525 25.742 1.00 5.12 C ATOM 0 H LEU A 19 4.223 -0.325 23.230 1.00 52.21 H new ATOM 0 HA LEU A 19 1.878 -0.362 24.645 1.00 60.03 H new ATOM 0 HB2 LEU A 19 2.996 -1.850 26.148 1.00 0.52 H new ATOM 0 HB3 LEU A 19 3.641 -2.129 24.543 1.00 0.52 H new ATOM 0 HG LEU A 19 5.526 -0.454 25.329 1.00 53.31 H new ATOM 0 HD11 LEU A 19 6.017 -0.689 27.730 1.00 74.42 H new ATOM 0 HD12 LEU A 19 4.468 0.140 27.452 1.00 74.42 H new ATOM 0 HD13 LEU A 19 4.485 -1.567 27.954 1.00 74.42 H new ATOM 0 HD21 LEU A 19 6.832 -2.383 26.132 1.00 5.12 H new ATOM 0 HD22 LEU A 19 5.332 -3.327 26.292 1.00 5.12 H new ATOM 0 HD23 LEU A 19 5.878 -2.789 24.686 1.00 5.12 H new ATOM 304 N SER A 20 4.002 1.771 25.900 1.00 75.34 N ATOM 305 CA SER A 20 4.164 2.841 26.876 1.00 11.14 C ATOM 306 C SER A 20 3.474 4.117 26.404 1.00 75.02 C ATOM 307 O SER A 20 3.192 5.014 27.198 1.00 3.53 O ATOM 308 CB SER A 20 5.649 3.113 27.124 1.00 12.13 C ATOM 309 OG SER A 20 5.833 3.947 28.256 1.00 73.54 O ATOM 0 H SER A 20 4.740 1.726 25.197 1.00 75.34 H new ATOM 0 HA SER A 20 3.699 2.521 27.809 1.00 11.14 H new ATOM 0 HB2 SER A 20 6.175 2.170 27.274 1.00 12.13 H new ATOM 0 HB3 SER A 20 6.087 3.586 26.245 1.00 12.13 H new ATOM 0 HG SER A 20 5.116 4.614 28.291 1.00 73.54 H new ATOM 315 N ASP A 21 3.204 4.190 25.105 1.00 34.32 N ATOM 316 CA ASP A 21 2.545 5.354 24.525 1.00 2.51 C ATOM 317 C ASP A 21 1.087 5.430 24.966 1.00 11.33 C ATOM 318 O ASP A 21 0.467 6.494 24.918 1.00 21.44 O ATOM 319 CB ASP A 21 2.627 5.306 22.999 1.00 63.24 C ATOM 320 CG ASP A 21 3.439 6.451 22.426 1.00 62.34 C ATOM 321 OD1 ASP A 21 3.123 7.617 22.740 1.00 2.10 O ATOM 322 OD2 ASP A 21 4.390 6.181 21.662 1.00 20.51 O ATOM 0 H ASP A 21 3.432 3.456 24.434 1.00 34.32 H new ATOM 0 HA ASP A 21 3.060 6.246 24.881 1.00 2.51 H new ATOM 0 HB2 ASP A 21 3.072 4.360 22.692 1.00 63.24 H new ATOM 0 HB3 ASP A 21 1.620 5.335 22.583 1.00 63.24 H new ATOM 327 N LEU A 22 0.544 4.296 25.395 1.00 42.02 N ATOM 328 CA LEU A 22 -0.842 4.233 25.844 1.00 53.00 C ATOM 329 C LEU A 22 -0.924 4.281 27.366 1.00 33.23 C ATOM 330 O LEU A 22 0.036 3.946 28.059 1.00 13.04 O ATOM 331 CB LEU A 22 -1.510 2.958 25.326 1.00 65.23 C ATOM 332 CG LEU A 22 -0.616 1.720 25.241 1.00 71.25 C ATOM 333 CD1 LEU A 22 -1.330 0.506 25.815 1.00 62.01 C ATOM 334 CD2 LEU A 22 -0.197 1.463 23.800 1.00 31.44 C ATOM 0 H LEU A 22 1.043 3.407 25.441 1.00 42.02 H new ATOM 0 HA LEU A 22 -1.367 5.100 25.443 1.00 53.00 H new ATOM 0 HB2 LEU A 22 -2.357 2.727 25.972 1.00 65.23 H new ATOM 0 HB3 LEU A 22 -1.913 3.160 24.333 1.00 65.23 H new ATOM 0 HG LEU A 22 0.281 1.902 25.833 1.00 71.25 H new ATOM 0 HD11 LEU A 22 -0.679 -0.365 25.746 1.00 62.01 H new ATOM 0 HD12 LEU A 22 -1.579 0.691 26.860 1.00 62.01 H new ATOM 0 HD13 LEU A 22 -2.244 0.321 25.251 1.00 62.01 H new ATOM 0 HD21 LEU A 22 0.439 0.579 23.758 1.00 31.44 H new ATOM 0 HD22 LEU A 22 -1.083 1.302 23.186 1.00 31.44 H new ATOM 0 HD23 LEU A 22 0.354 2.324 23.422 1.00 31.44 H new ATOM 346 N GLU A 23 -2.078 4.697 27.879 1.00 10.10 N ATOM 347 CA GLU A 23 -2.285 4.787 29.320 1.00 61.23 C ATOM 348 C GLU A 23 -2.362 3.397 29.946 1.00 40.32 C ATOM 349 O GLU A 23 -2.683 2.419 29.272 1.00 42.12 O ATOM 350 CB GLU A 23 -3.564 5.568 29.626 1.00 74.10 C ATOM 351 CG GLU A 23 -3.449 7.058 29.351 1.00 62.33 C ATOM 352 CD GLU A 23 -4.760 7.792 29.554 1.00 3.12 C ATOM 353 OE1 GLU A 23 -5.642 7.250 30.252 1.00 71.13 O ATOM 354 OE2 GLU A 23 -4.903 8.910 29.016 1.00 64.13 O ATOM 0 H GLU A 23 -2.883 4.977 27.319 1.00 10.10 H new ATOM 0 HA GLU A 23 -1.434 5.314 29.752 1.00 61.23 H new ATOM 0 HB2 GLU A 23 -4.380 5.159 29.030 1.00 74.10 H new ATOM 0 HB3 GLU A 23 -3.828 5.420 30.673 1.00 74.10 H new ATOM 0 HG2 GLU A 23 -2.691 7.487 30.007 1.00 62.33 H new ATOM 0 HG3 GLU A 23 -3.107 7.209 28.327 1.00 62.33 H new ATOM 361 N GLU A 24 -2.065 3.320 31.239 1.00 24.02 N ATOM 362 CA GLU A 24 -2.099 2.050 31.956 1.00 42.43 C ATOM 363 C GLU A 24 -3.511 1.472 31.970 1.00 63.43 C ATOM 364 O GLU A 24 -3.694 0.255 31.950 1.00 53.32 O ATOM 365 CB GLU A 24 -1.597 2.235 33.389 1.00 31.24 C ATOM 366 CG GLU A 24 -2.602 2.916 34.303 1.00 40.31 C ATOM 367 CD GLU A 24 -2.913 4.336 33.872 1.00 51.43 C ATOM 368 OE1 GLU A 24 -1.984 5.171 33.865 1.00 22.20 O ATOM 369 OE2 GLU A 24 -4.085 4.613 33.541 1.00 1.53 O ATOM 0 H GLU A 24 -1.798 4.121 31.811 1.00 24.02 H new ATOM 0 HA GLU A 24 -1.444 1.350 31.437 1.00 42.43 H new ATOM 0 HB2 GLU A 24 -1.343 1.260 33.805 1.00 31.24 H new ATOM 0 HB3 GLU A 24 -0.679 2.823 33.370 1.00 31.24 H new ATOM 0 HG2 GLU A 24 -3.524 2.335 34.320 1.00 40.31 H new ATOM 0 HG3 GLU A 24 -2.213 2.926 35.321 1.00 40.31 H new ATOM 376 N ASN A 25 -4.505 2.353 32.005 1.00 61.12 N ATOM 377 CA ASN A 25 -5.901 1.930 32.023 1.00 43.32 C ATOM 378 C ASN A 25 -6.330 1.411 30.654 1.00 44.33 C ATOM 379 O ASN A 25 -7.488 1.047 30.452 1.00 71.04 O ATOM 380 CB ASN A 25 -6.802 3.092 32.445 1.00 3.52 C ATOM 381 CG ASN A 25 -7.949 2.643 33.329 1.00 72.22 C ATOM 382 OD1 ASN A 25 -7.829 1.671 34.075 1.00 60.34 O ATOM 383 ND2 ASN A 25 -9.070 3.350 33.248 1.00 11.22 N ATOM 0 H ASN A 25 -4.370 3.364 32.021 1.00 61.12 H new ATOM 0 HA ASN A 25 -6.000 1.121 32.746 1.00 43.32 H new ATOM 0 HB2 ASN A 25 -6.207 3.835 32.976 1.00 3.52 H new ATOM 0 HB3 ASN A 25 -7.202 3.580 31.556 1.00 3.52 H new ATOM 0 HD21 ASN A 25 -9.876 3.095 33.818 1.00 11.22 H new ATOM 0 HD22 ASN A 25 -9.125 4.148 32.616 1.00 11.22 H new ATOM 390 N ASP A 26 -5.388 1.380 29.717 1.00 2.24 N ATOM 391 CA ASP A 26 -5.667 0.904 28.368 1.00 40.35 C ATOM 392 C ASP A 26 -4.973 -0.429 28.107 1.00 43.11 C ATOM 393 O ASP A 26 -5.616 -1.416 27.750 1.00 22.31 O ATOM 394 CB ASP A 26 -5.216 1.939 27.335 1.00 24.24 C ATOM 395 CG ASP A 26 -6.033 3.214 27.399 1.00 43.33 C ATOM 396 OD1 ASP A 26 -6.510 3.559 28.500 1.00 13.40 O ATOM 397 OD2 ASP A 26 -6.194 3.868 26.347 1.00 22.11 O ATOM 0 H ASP A 26 -4.425 1.679 29.868 1.00 2.24 H new ATOM 0 HA ASP A 26 -6.743 0.756 28.277 1.00 40.35 H new ATOM 0 HB2 ASP A 26 -4.165 2.176 27.498 1.00 24.24 H new ATOM 0 HB3 ASP A 26 -5.295 1.510 26.336 1.00 24.24 H new ATOM 402 N PHE A 27 -3.656 -0.450 28.287 1.00 52.44 N ATOM 403 CA PHE A 27 -2.874 -1.661 28.069 1.00 41.11 C ATOM 404 C PHE A 27 -3.324 -2.776 29.008 1.00 14.55 C ATOM 405 O PHE A 27 -3.338 -3.949 28.637 1.00 75.22 O ATOM 406 CB PHE A 27 -1.385 -1.376 28.275 1.00 42.41 C ATOM 407 CG PHE A 27 -0.789 -2.112 29.440 1.00 20.33 C ATOM 408 CD1 PHE A 27 -0.822 -1.565 30.713 1.00 73.41 C ATOM 409 CD2 PHE A 27 -0.195 -3.351 29.263 1.00 21.51 C ATOM 410 CE1 PHE A 27 -0.275 -2.241 31.788 1.00 52.23 C ATOM 411 CE2 PHE A 27 0.353 -4.032 30.334 1.00 43.30 C ATOM 412 CZ PHE A 27 0.314 -3.475 31.598 1.00 63.24 C ATOM 0 H PHE A 27 -3.108 0.358 28.583 1.00 52.44 H new ATOM 0 HA PHE A 27 -3.036 -1.988 27.042 1.00 41.11 H new ATOM 0 HB2 PHE A 27 -0.843 -1.647 27.369 1.00 42.41 H new ATOM 0 HB3 PHE A 27 -1.245 -0.305 28.422 1.00 42.41 H new ATOM 0 HD1 PHE A 27 -1.280 -0.599 30.867 1.00 73.41 H new ATOM 0 HD2 PHE A 27 -0.160 -3.790 28.277 1.00 21.51 H new ATOM 0 HE1 PHE A 27 -0.308 -1.804 32.775 1.00 52.23 H new ATOM 0 HE2 PHE A 27 0.811 -4.998 30.183 1.00 43.30 H new ATOM 0 HZ PHE A 27 0.744 -4.004 32.436 1.00 63.24 H new ATOM 422 N LYS A 28 -3.692 -2.400 30.229 1.00 41.11 N ATOM 423 CA LYS A 28 -4.144 -3.365 31.224 1.00 61.55 C ATOM 424 C LYS A 28 -5.469 -3.996 30.806 1.00 25.55 C ATOM 425 O LYS A 28 -5.653 -5.209 30.919 1.00 54.43 O ATOM 426 CB LYS A 28 -4.296 -2.690 32.588 1.00 11.41 C ATOM 427 CG LYS A 28 -4.897 -3.593 33.651 1.00 74.23 C ATOM 428 CD LYS A 28 -4.604 -3.080 35.050 1.00 1.14 C ATOM 429 CE LYS A 28 -5.603 -2.014 35.474 1.00 22.01 C ATOM 430 NZ LYS A 28 -5.197 -1.346 36.742 1.00 71.22 N ATOM 0 H LYS A 28 -3.686 -1.433 30.553 1.00 41.11 H new ATOM 0 HA LYS A 28 -3.394 -4.152 31.298 1.00 61.55 H new ATOM 0 HB2 LYS A 28 -3.318 -2.347 32.925 1.00 11.41 H new ATOM 0 HB3 LYS A 28 -4.923 -1.805 32.478 1.00 11.41 H new ATOM 0 HG2 LYS A 28 -5.975 -3.660 33.506 1.00 74.23 H new ATOM 0 HG3 LYS A 28 -4.498 -4.601 33.541 1.00 74.23 H new ATOM 0 HD2 LYS A 28 -4.634 -3.910 35.756 1.00 1.14 H new ATOM 0 HD3 LYS A 28 -3.595 -2.669 35.084 1.00 1.14 H new ATOM 0 HE2 LYS A 28 -5.696 -1.268 34.684 1.00 22.01 H new ATOM 0 HE3 LYS A 28 -6.586 -2.468 35.601 1.00 22.01 H new ATOM 0 HZ1 LYS A 28 -5.903 -0.627 36.997 1.00 71.22 H new ATOM 0 HZ2 LYS A 28 -5.133 -2.053 37.502 1.00 71.22 H new ATOM 0 HZ3 LYS A 28 -4.271 -0.891 36.614 1.00 71.22 H new ATOM 444 N LYS A 29 -6.388 -3.167 30.323 1.00 25.34 N ATOM 445 CA LYS A 29 -7.695 -3.644 29.886 1.00 5.45 C ATOM 446 C LYS A 29 -7.550 -4.760 28.857 1.00 35.45 C ATOM 447 O LYS A 29 -8.250 -5.772 28.922 1.00 20.23 O ATOM 448 CB LYS A 29 -8.508 -2.491 29.293 1.00 31.14 C ATOM 449 CG LYS A 29 -9.743 -2.137 30.105 1.00 65.44 C ATOM 450 CD LYS A 29 -9.373 -1.477 31.422 1.00 34.15 C ATOM 451 CE LYS A 29 -10.201 -0.225 31.669 1.00 3.14 C ATOM 452 NZ LYS A 29 -11.640 -0.544 31.883 1.00 44.23 N ATOM 0 H LYS A 29 -6.252 -2.161 30.224 1.00 25.34 H new ATOM 0 HA LYS A 29 -8.219 -4.041 30.755 1.00 5.45 H new ATOM 0 HB2 LYS A 29 -7.870 -1.610 29.214 1.00 31.14 H new ATOM 0 HB3 LYS A 29 -8.813 -2.755 28.280 1.00 31.14 H new ATOM 0 HG2 LYS A 29 -10.380 -1.467 29.527 1.00 65.44 H new ATOM 0 HG3 LYS A 29 -10.323 -3.039 30.299 1.00 65.44 H new ATOM 0 HD2 LYS A 29 -9.525 -2.182 32.239 1.00 34.15 H new ATOM 0 HD3 LYS A 29 -8.314 -1.219 31.416 1.00 34.15 H new ATOM 0 HE2 LYS A 29 -9.812 0.301 32.541 1.00 3.14 H new ATOM 0 HE3 LYS A 29 -10.101 0.450 30.819 1.00 3.14 H new ATOM 0 HZ1 LYS A 29 -12.170 0.336 32.048 1.00 44.23 H new ATOM 0 HZ2 LYS A 29 -12.018 -1.023 31.041 1.00 44.23 H new ATOM 0 HZ3 LYS A 29 -11.738 -1.167 32.710 1.00 44.23 H new ATOM 466 N LEU A 30 -6.639 -4.571 27.910 1.00 70.32 N ATOM 467 CA LEU A 30 -6.402 -5.564 26.867 1.00 1.04 C ATOM 468 C LEU A 30 -5.710 -6.798 27.438 1.00 50.13 C ATOM 469 O LEU A 30 -6.173 -7.924 27.253 1.00 1.23 O ATOM 470 CB LEU A 30 -5.553 -4.962 25.746 1.00 54.01 C ATOM 471 CG LEU A 30 -5.491 -3.435 25.697 1.00 1.14 C ATOM 472 CD1 LEU A 30 -4.636 -2.973 24.527 1.00 15.44 C ATOM 473 CD2 LEU A 30 -6.891 -2.847 25.603 1.00 11.40 C ATOM 0 H LEU A 30 -6.052 -3.740 27.842 1.00 70.32 H new ATOM 0 HA LEU A 30 -7.367 -5.866 26.461 1.00 1.04 H new ATOM 0 HB2 LEU A 30 -4.537 -5.344 25.842 1.00 54.01 H new ATOM 0 HB3 LEU A 30 -5.940 -5.321 24.792 1.00 54.01 H new ATOM 0 HG LEU A 30 -5.031 -3.079 26.619 1.00 1.14 H new ATOM 0 HD11 LEU A 30 -4.603 -1.884 24.508 1.00 15.44 H new ATOM 0 HD12 LEU A 30 -3.625 -3.364 24.638 1.00 15.44 H new ATOM 0 HD13 LEU A 30 -5.066 -3.339 23.595 1.00 15.44 H new ATOM 0 HD21 LEU A 30 -6.827 -1.759 25.569 1.00 11.40 H new ATOM 0 HD22 LEU A 30 -7.378 -3.210 24.698 1.00 11.40 H new ATOM 0 HD23 LEU A 30 -7.472 -3.149 26.474 1.00 11.40 H new ATOM 485 N LYS A 31 -4.599 -6.579 28.133 1.00 14.43 N ATOM 486 CA LYS A 31 -3.844 -7.671 28.735 1.00 73.44 C ATOM 487 C LYS A 31 -4.720 -8.477 29.689 1.00 61.54 C ATOM 488 O LYS A 31 -4.480 -9.664 29.915 1.00 2.42 O ATOM 489 CB LYS A 31 -2.625 -7.126 29.482 1.00 14.30 C ATOM 490 CG LYS A 31 -1.601 -6.466 28.575 1.00 10.13 C ATOM 491 CD LYS A 31 -0.979 -7.467 27.616 1.00 40.41 C ATOM 492 CE LYS A 31 -0.099 -6.777 26.585 1.00 64.22 C ATOM 493 NZ LYS A 31 -0.891 -6.267 25.431 1.00 24.43 N ATOM 0 H LYS A 31 -4.201 -5.654 28.293 1.00 14.43 H new ATOM 0 HA LYS A 31 -3.507 -8.330 27.935 1.00 73.44 H new ATOM 0 HB2 LYS A 31 -2.959 -6.403 30.226 1.00 14.30 H new ATOM 0 HB3 LYS A 31 -2.146 -7.942 30.023 1.00 14.30 H new ATOM 0 HG2 LYS A 31 -2.077 -5.666 28.009 1.00 10.13 H new ATOM 0 HG3 LYS A 31 -0.820 -6.007 29.180 1.00 10.13 H new ATOM 0 HD2 LYS A 31 -0.386 -8.190 28.177 1.00 40.41 H new ATOM 0 HD3 LYS A 31 -1.766 -8.025 27.109 1.00 40.41 H new ATOM 0 HE2 LYS A 31 0.431 -5.949 27.056 1.00 64.22 H new ATOM 0 HE3 LYS A 31 0.656 -7.476 26.226 1.00 64.22 H new ATOM 0 HZ1 LYS A 31 -0.381 -6.464 24.546 1.00 24.43 H new ATOM 0 HZ2 LYS A 31 -1.817 -6.740 25.410 1.00 24.43 H new ATOM 0 HZ3 LYS A 31 -1.028 -5.241 25.531 1.00 24.43 H new ATOM 507 N PHE A 32 -5.737 -7.827 30.244 1.00 43.30 N ATOM 508 CA PHE A 32 -6.649 -8.484 31.173 1.00 3.52 C ATOM 509 C PHE A 32 -7.463 -9.562 30.465 1.00 73.01 C ATOM 510 O PHE A 32 -7.582 -10.686 30.953 1.00 74.21 O ATOM 511 CB PHE A 32 -7.587 -7.457 31.812 1.00 64.02 C ATOM 512 CG PHE A 32 -8.676 -8.075 32.641 1.00 2.24 C ATOM 513 CD1 PHE A 32 -8.450 -8.408 33.967 1.00 14.34 C ATOM 514 CD2 PHE A 32 -9.925 -8.322 32.095 1.00 1.04 C ATOM 515 CE1 PHE A 32 -9.451 -8.977 34.733 1.00 43.15 C ATOM 516 CE2 PHE A 32 -10.929 -8.891 32.856 1.00 54.31 C ATOM 517 CZ PHE A 32 -10.692 -9.218 34.177 1.00 50.44 C ATOM 0 H PHE A 32 -5.951 -6.846 30.067 1.00 43.30 H new ATOM 0 HA PHE A 32 -6.054 -8.958 31.954 1.00 3.52 H new ATOM 0 HB2 PHE A 32 -7.003 -6.783 32.438 1.00 64.02 H new ATOM 0 HB3 PHE A 32 -8.039 -6.851 31.027 1.00 64.02 H new ATOM 0 HD1 PHE A 32 -7.482 -8.221 34.407 1.00 14.34 H new ATOM 0 HD2 PHE A 32 -10.116 -8.067 31.063 1.00 1.04 H new ATOM 0 HE1 PHE A 32 -9.262 -9.233 35.765 1.00 43.15 H new ATOM 0 HE2 PHE A 32 -11.898 -9.080 32.418 1.00 54.31 H new ATOM 0 HZ PHE A 32 -11.476 -9.661 34.774 1.00 50.44 H new ATOM 527 N TYR A 33 -8.022 -9.211 29.312 1.00 33.03 N ATOM 528 CA TYR A 33 -8.828 -10.147 28.538 1.00 54.15 C ATOM 529 C TYR A 33 -7.988 -10.829 27.462 1.00 13.10 C ATOM 530 O TYR A 33 -7.919 -12.057 27.397 1.00 21.13 O ATOM 531 CB TYR A 33 -10.011 -9.422 27.893 1.00 11.11 C ATOM 532 CG TYR A 33 -11.301 -10.210 27.937 1.00 40.32 C ATOM 533 CD1 TYR A 33 -11.873 -10.577 29.148 1.00 32.03 C ATOM 534 CD2 TYR A 33 -11.948 -10.586 26.766 1.00 40.20 C ATOM 535 CE1 TYR A 33 -13.051 -11.297 29.193 1.00 70.43 C ATOM 536 CE2 TYR A 33 -13.127 -11.305 26.801 1.00 50.02 C ATOM 537 CZ TYR A 33 -13.674 -11.659 28.016 1.00 12.25 C ATOM 538 OH TYR A 33 -14.848 -12.375 28.056 1.00 34.25 O ATOM 0 H TYR A 33 -7.932 -8.285 28.893 1.00 33.03 H new ATOM 0 HA TYR A 33 -9.205 -10.911 29.218 1.00 54.15 H new ATOM 0 HB2 TYR A 33 -10.161 -8.468 28.398 1.00 11.11 H new ATOM 0 HB3 TYR A 33 -9.767 -9.198 26.855 1.00 11.11 H new ATOM 0 HD1 TYR A 33 -11.388 -10.295 30.071 1.00 32.03 H new ATOM 0 HD2 TYR A 33 -11.522 -10.311 25.812 1.00 40.20 H new ATOM 0 HE1 TYR A 33 -13.482 -11.575 30.144 1.00 70.43 H new ATOM 0 HE2 TYR A 33 -13.618 -11.588 25.882 1.00 50.02 H new ATOM 0 HH TYR A 33 -15.157 -12.548 27.142 1.00 34.25 H new ATOM 548 N LEU A 34 -7.351 -10.024 26.620 1.00 42.44 N ATOM 549 CA LEU A 34 -6.514 -10.547 25.546 1.00 65.31 C ATOM 550 C LEU A 34 -5.487 -11.537 26.089 1.00 55.21 C ATOM 551 O LEU A 34 -5.440 -12.692 25.666 1.00 51.12 O ATOM 552 CB LEU A 34 -5.802 -9.403 24.823 1.00 40.52 C ATOM 553 CG LEU A 34 -5.973 -9.359 23.304 1.00 55.41 C ATOM 554 CD1 LEU A 34 -5.029 -8.337 22.689 1.00 22.45 C ATOM 555 CD2 LEU A 34 -5.739 -10.736 22.701 1.00 42.34 C ATOM 0 H LEU A 34 -7.398 -9.006 26.660 1.00 42.44 H new ATOM 0 HA LEU A 34 -7.158 -11.070 24.839 1.00 65.31 H new ATOM 0 HB2 LEU A 34 -6.160 -8.460 25.236 1.00 40.52 H new ATOM 0 HB3 LEU A 34 -4.737 -9.465 25.047 1.00 40.52 H new ATOM 0 HG LEU A 34 -6.996 -9.056 23.082 1.00 55.41 H new ATOM 0 HD11 LEU A 34 -5.165 -8.320 21.608 1.00 22.45 H new ATOM 0 HD12 LEU A 34 -5.245 -7.350 23.097 1.00 22.45 H new ATOM 0 HD13 LEU A 34 -3.999 -8.608 22.921 1.00 22.45 H new ATOM 0 HD21 LEU A 34 -5.865 -10.686 21.619 1.00 42.34 H new ATOM 0 HD22 LEU A 34 -4.727 -11.068 22.934 1.00 42.34 H new ATOM 0 HD23 LEU A 34 -6.457 -11.442 23.117 1.00 42.34 H new ATOM 567 N ARG A 35 -4.669 -11.076 27.030 1.00 73.34 N ATOM 568 CA ARG A 35 -3.645 -11.921 27.631 1.00 23.14 C ATOM 569 C ARG A 35 -4.276 -13.094 28.376 1.00 64.45 C ATOM 570 O ARG A 35 -3.767 -14.215 28.334 1.00 42.31 O ATOM 571 CB ARG A 35 -2.777 -11.103 28.589 1.00 1.04 C ATOM 572 CG ARG A 35 -1.288 -11.372 28.443 1.00 51.42 C ATOM 573 CD ARG A 35 -0.736 -12.120 29.646 1.00 1.41 C ATOM 574 NE ARG A 35 -1.110 -11.482 30.906 1.00 73.43 N ATOM 575 CZ ARG A 35 -1.594 -12.146 31.950 1.00 73.03 C ATOM 576 NH1 ARG A 35 -1.761 -13.460 31.885 1.00 53.32 N ATOM 577 NH2 ARG A 35 -1.912 -11.496 33.062 1.00 40.53 N ATOM 0 H ARG A 35 -4.696 -10.123 27.392 1.00 73.34 H new ATOM 0 HA ARG A 35 -3.019 -12.316 26.830 1.00 23.14 H new ATOM 0 HB2 ARG A 35 -2.964 -10.043 28.420 1.00 1.04 H new ATOM 0 HB3 ARG A 35 -3.078 -11.320 29.614 1.00 1.04 H new ATOM 0 HG2 ARG A 35 -1.109 -11.953 27.538 1.00 51.42 H new ATOM 0 HG3 ARG A 35 -0.756 -10.428 28.325 1.00 51.42 H new ATOM 0 HD2 ARG A 35 -1.105 -13.146 29.636 1.00 1.41 H new ATOM 0 HD3 ARG A 35 0.350 -12.171 29.574 1.00 1.41 H new ATOM 0 HE ARG A 35 -0.993 -10.472 30.989 1.00 73.43 H new ATOM 0 HH11 ARG A 35 -1.518 -13.963 31.032 1.00 53.32 H new ATOM 0 HH12 ARG A 35 -2.133 -13.967 32.688 1.00 53.32 H new ATOM 0 HH21 ARG A 35 -1.785 -10.485 33.116 1.00 40.53 H new ATOM 0 HH22 ARG A 35 -2.284 -12.007 33.863 1.00 40.53 H new ATOM 591 N ASP A 36 -5.385 -12.829 29.056 1.00 54.23 N ATOM 592 CA ASP A 36 -6.086 -13.862 29.809 1.00 73.21 C ATOM 593 C ASP A 36 -6.257 -15.125 28.970 1.00 41.21 C ATOM 594 O ASP A 36 -5.963 -16.229 29.426 1.00 24.21 O ATOM 595 CB ASP A 36 -7.453 -13.351 30.267 1.00 10.11 C ATOM 596 CG ASP A 36 -8.499 -14.447 30.302 1.00 34.44 C ATOM 597 OD1 ASP A 36 -8.374 -15.361 31.145 1.00 64.13 O ATOM 598 OD2 ASP A 36 -9.444 -14.391 29.488 1.00 34.54 O ATOM 0 H ASP A 36 -5.819 -11.907 29.101 1.00 54.23 H new ATOM 0 HA ASP A 36 -5.486 -14.108 30.685 1.00 73.21 H new ATOM 0 HB2 ASP A 36 -7.359 -12.911 31.260 1.00 10.11 H new ATOM 0 HB3 ASP A 36 -7.784 -12.558 29.597 1.00 10.11 H new ATOM 603 N MET A 37 -6.735 -14.953 27.742 1.00 71.01 N ATOM 604 CA MET A 37 -6.945 -16.079 26.839 1.00 22.24 C ATOM 605 C MET A 37 -5.683 -16.373 26.034 1.00 1.32 C ATOM 606 O MET A 37 -5.054 -17.418 26.204 1.00 74.21 O ATOM 607 CB MET A 37 -8.112 -15.792 25.893 1.00 12.43 C ATOM 608 CG MET A 37 -9.397 -16.507 26.278 1.00 21.14 C ATOM 609 SD MET A 37 -10.760 -16.140 25.156 1.00 3.44 S ATOM 610 CE MET A 37 -11.941 -17.398 25.635 1.00 63.44 C ATOM 0 H MET A 37 -6.984 -14.045 27.349 1.00 71.01 H new ATOM 0 HA MET A 37 -7.183 -16.956 27.442 1.00 22.24 H new ATOM 0 HB2 MET A 37 -8.296 -14.718 25.872 1.00 12.43 H new ATOM 0 HB3 MET A 37 -7.831 -16.087 24.882 1.00 12.43 H new ATOM 0 HG2 MET A 37 -9.220 -17.583 26.289 1.00 21.14 H new ATOM 0 HG3 MET A 37 -9.678 -16.220 27.291 1.00 21.14 H new ATOM 0 HE1 MET A 37 -12.841 -17.302 25.028 1.00 63.44 H new ATOM 0 HE2 MET A 37 -11.504 -18.385 25.482 1.00 63.44 H new ATOM 0 HE3 MET A 37 -12.198 -17.274 26.687 1.00 63.44 H new ATOM 620 N THR A 38 -5.317 -15.444 25.156 1.00 3.24 N ATOM 621 CA THR A 38 -4.131 -15.604 24.324 1.00 11.11 C ATOM 622 C THR A 38 -2.955 -16.130 25.138 1.00 4.44 C ATOM 623 O THR A 38 -2.414 -17.198 24.849 1.00 42.20 O ATOM 624 CB THR A 38 -3.728 -14.274 23.660 1.00 65.14 C ATOM 625 OG1 THR A 38 -3.358 -13.319 24.660 1.00 2.12 O ATOM 626 CG2 THR A 38 -4.869 -13.721 22.820 1.00 42.42 C ATOM 0 H THR A 38 -5.825 -14.573 25.003 1.00 3.24 H new ATOM 0 HA THR A 38 -4.384 -16.327 23.548 1.00 11.11 H new ATOM 0 HB THR A 38 -2.876 -14.463 23.007 1.00 65.14 H new ATOM 0 HG1 THR A 38 -4.076 -13.244 25.323 1.00 2.12 H new ATOM 0 HG21 THR A 38 -4.561 -12.782 22.361 1.00 42.42 H new ATOM 0 HG22 THR A 38 -5.128 -14.438 22.041 1.00 42.42 H new ATOM 0 HG23 THR A 38 -5.737 -13.547 23.455 1.00 42.42 H new ATOM 634 N LEU A 39 -2.562 -15.374 26.158 1.00 15.02 N ATOM 635 CA LEU A 39 -1.449 -15.765 27.016 1.00 11.51 C ATOM 636 C LEU A 39 -1.937 -16.605 28.192 1.00 65.22 C ATOM 637 O LEU A 39 -3.129 -16.885 28.315 1.00 22.45 O ATOM 638 CB LEU A 39 -0.716 -14.524 27.530 1.00 33.24 C ATOM 639 CG LEU A 39 0.224 -13.841 26.538 1.00 44.44 C ATOM 640 CD1 LEU A 39 1.282 -14.816 26.046 1.00 62.31 C ATOM 641 CD2 LEU A 39 -0.561 -13.268 25.367 1.00 43.42 C ATOM 0 H LEU A 39 -2.998 -14.487 26.411 1.00 15.02 H new ATOM 0 HA LEU A 39 -0.760 -16.368 26.424 1.00 11.51 H new ATOM 0 HB2 LEU A 39 -1.459 -13.796 27.855 1.00 33.24 H new ATOM 0 HB3 LEU A 39 -0.139 -14.806 28.411 1.00 33.24 H new ATOM 0 HG LEU A 39 0.726 -13.020 27.050 1.00 44.44 H new ATOM 0 HD11 LEU A 39 1.942 -14.311 25.340 1.00 62.31 H new ATOM 0 HD12 LEU A 39 1.865 -15.178 26.893 1.00 62.31 H new ATOM 0 HD13 LEU A 39 0.799 -15.659 25.552 1.00 62.31 H new ATOM 0 HD21 LEU A 39 0.125 -12.785 24.671 1.00 43.42 H new ATOM 0 HD22 LEU A 39 -1.091 -14.072 24.856 1.00 43.42 H new ATOM 0 HD23 LEU A 39 -1.280 -12.536 25.734 1.00 43.42 H new ATOM 784 N GLY A 49 0.118 0.343 38.313 1.00 64.33 N ATOM 785 CA GLY A 49 1.533 0.640 38.440 1.00 21.12 C ATOM 786 C GLY A 49 2.391 -0.231 37.544 1.00 5.41 C ATOM 787 O GLY A 49 3.611 -0.070 37.496 1.00 35.24 O ATOM 0 HA2 GLY A 49 1.705 1.688 38.195 1.00 21.12 H new ATOM 0 HA3 GLY A 49 1.839 0.501 39.477 1.00 21.12 H new ATOM 791 N GLU A 50 1.754 -1.156 36.833 1.00 11.34 N ATOM 792 CA GLU A 50 2.469 -2.056 35.937 1.00 71.32 C ATOM 793 C GLU A 50 3.027 -1.298 34.736 1.00 73.45 C ATOM 794 O GLU A 50 4.044 -1.687 34.160 1.00 3.40 O ATOM 795 CB GLU A 50 1.544 -3.178 35.461 1.00 72.50 C ATOM 796 CG GLU A 50 1.586 -4.416 36.341 1.00 32.32 C ATOM 797 CD GLU A 50 2.813 -5.270 36.089 1.00 62.33 C ATOM 798 OE1 GLU A 50 3.701 -4.823 35.332 1.00 33.22 O ATOM 799 OE2 GLU A 50 2.886 -6.385 36.647 1.00 42.22 O ATOM 0 H GLU A 50 0.745 -1.301 36.860 1.00 11.34 H new ATOM 0 HA GLU A 50 3.302 -2.491 36.489 1.00 71.32 H new ATOM 0 HB2 GLU A 50 0.521 -2.803 35.424 1.00 72.50 H new ATOM 0 HB3 GLU A 50 1.818 -3.456 34.443 1.00 72.50 H new ATOM 0 HG2 GLU A 50 1.567 -4.114 37.388 1.00 32.32 H new ATOM 0 HG3 GLU A 50 0.691 -5.012 36.165 1.00 32.32 H new ATOM 806 N LEU A 51 2.353 -0.216 34.362 1.00 44.01 N ATOM 807 CA LEU A 51 2.780 0.597 33.229 1.00 44.43 C ATOM 808 C LEU A 51 3.381 1.918 33.701 1.00 33.54 C ATOM 809 O LEU A 51 4.517 2.249 33.365 1.00 20.20 O ATOM 810 CB LEU A 51 1.599 0.867 32.295 1.00 31.40 C ATOM 811 CG LEU A 51 1.926 1.596 30.992 1.00 42.14 C ATOM 812 CD1 LEU A 51 3.070 0.905 30.266 1.00 42.31 C ATOM 813 CD2 LEU A 51 0.695 1.673 30.100 1.00 64.21 C ATOM 0 H LEU A 51 1.509 0.118 34.827 1.00 44.01 H new ATOM 0 HA LEU A 51 3.546 0.044 32.686 1.00 44.43 H new ATOM 0 HB2 LEU A 51 1.133 -0.086 32.047 1.00 31.40 H new ATOM 0 HB3 LEU A 51 0.858 1.452 32.839 1.00 31.40 H new ATOM 0 HG LEU A 51 2.238 2.612 31.235 1.00 42.14 H new ATOM 0 HD11 LEU A 51 3.289 1.438 29.341 1.00 42.31 H new ATOM 0 HD12 LEU A 51 3.956 0.903 30.901 1.00 42.31 H new ATOM 0 HD13 LEU A 51 2.787 -0.122 30.035 1.00 42.31 H new ATOM 0 HD21 LEU A 51 0.947 2.195 29.177 1.00 64.21 H new ATOM 0 HD22 LEU A 51 0.352 0.665 29.865 1.00 64.21 H new ATOM 0 HD23 LEU A 51 -0.097 2.214 30.618 1.00 64.21 H new ATOM 825 N GLU A 52 2.610 2.666 34.485 1.00 72.43 N ATOM 826 CA GLU A 52 3.067 3.949 35.005 1.00 62.15 C ATOM 827 C GLU A 52 4.110 3.751 36.101 1.00 41.31 C ATOM 828 O GLU A 52 5.108 4.468 36.160 1.00 63.03 O ATOM 829 CB GLU A 52 1.885 4.754 35.549 1.00 44.22 C ATOM 830 CG GLU A 52 0.913 3.927 36.372 1.00 31.14 C ATOM 831 CD GLU A 52 0.080 4.773 37.315 1.00 54.41 C ATOM 832 OE1 GLU A 52 0.592 5.808 37.792 1.00 32.22 O ATOM 833 OE2 GLU A 52 -1.084 4.402 37.575 1.00 3.15 O ATOM 0 H GLU A 52 1.667 2.405 34.773 1.00 72.43 H new ATOM 0 HA GLU A 52 3.527 4.502 34.186 1.00 62.15 H new ATOM 0 HB2 GLU A 52 2.264 5.571 36.163 1.00 44.22 H new ATOM 0 HB3 GLU A 52 1.349 5.205 34.714 1.00 44.22 H new ATOM 0 HG2 GLU A 52 0.251 3.378 35.702 1.00 31.14 H new ATOM 0 HG3 GLU A 52 1.469 3.187 36.948 1.00 31.14 H new ATOM 840 N GLY A 53 3.870 2.773 36.969 1.00 51.11 N ATOM 841 CA GLY A 53 4.796 2.499 38.052 1.00 32.51 C ATOM 842 C GLY A 53 6.101 1.904 37.562 1.00 4.22 C ATOM 843 O GLY A 53 7.181 2.349 37.955 1.00 32.32 O ATOM 0 H GLY A 53 3.051 2.166 36.941 1.00 51.11 H new ATOM 0 HA2 GLY A 53 5.002 3.423 38.593 1.00 32.51 H new ATOM 0 HA3 GLY A 53 4.330 1.813 38.759 1.00 32.51 H new ATOM 847 N LEU A 54 6.005 0.896 36.703 1.00 32.41 N ATOM 848 CA LEU A 54 7.188 0.238 36.160 1.00 71.54 C ATOM 849 C LEU A 54 7.570 0.833 34.808 1.00 32.02 C ATOM 850 O LEU A 54 7.089 1.902 34.432 1.00 53.21 O ATOM 851 CB LEU A 54 6.939 -1.265 36.016 1.00 41.13 C ATOM 852 CG LEU A 54 6.311 -1.960 37.224 1.00 14.10 C ATOM 853 CD1 LEU A 54 6.223 -3.460 36.991 1.00 22.21 C ATOM 854 CD2 LEU A 54 7.107 -1.660 38.486 1.00 54.33 C ATOM 0 H LEU A 54 5.120 0.516 36.367 1.00 32.41 H new ATOM 0 HA LEU A 54 8.013 0.399 36.854 1.00 71.54 H new ATOM 0 HB2 LEU A 54 6.292 -1.425 35.153 1.00 41.13 H new ATOM 0 HB3 LEU A 54 7.890 -1.751 35.796 1.00 41.13 H new ATOM 0 HG LEU A 54 5.300 -1.574 37.356 1.00 14.10 H new ATOM 0 HD11 LEU A 54 5.773 -3.938 37.862 1.00 22.21 H new ATOM 0 HD12 LEU A 54 5.609 -3.656 36.112 1.00 22.21 H new ATOM 0 HD13 LEU A 54 7.223 -3.863 36.832 1.00 22.21 H new ATOM 0 HD21 LEU A 54 6.645 -2.163 39.336 1.00 54.33 H new ATOM 0 HD22 LEU A 54 8.130 -2.017 38.365 1.00 54.33 H new ATOM 0 HD23 LEU A 54 7.117 -0.584 38.663 1.00 54.33 H new ATOM 866 N ILE A 55 8.435 0.133 34.082 1.00 2.14 N ATOM 867 CA ILE A 55 8.878 0.591 32.772 1.00 45.24 C ATOM 868 C ILE A 55 8.528 -0.422 31.688 1.00 61.44 C ATOM 869 O ILE A 55 8.274 -1.596 31.959 1.00 33.02 O ATOM 870 CB ILE A 55 10.397 0.847 32.748 1.00 21.44 C ATOM 871 CG1 ILE A 55 11.148 -0.363 33.309 1.00 43.13 C ATOM 872 CG2 ILE A 55 10.735 2.101 33.541 1.00 64.43 C ATOM 873 CD1 ILE A 55 12.618 -0.102 33.552 1.00 1.44 C ATOM 0 H ILE A 55 8.843 -0.753 34.379 1.00 2.14 H new ATOM 0 HA ILE A 55 8.357 1.527 32.573 1.00 45.24 H new ATOM 0 HB ILE A 55 10.710 0.999 31.715 1.00 21.44 H new ATOM 0 HG12 ILE A 55 10.682 -0.668 34.246 1.00 43.13 H new ATOM 0 HG13 ILE A 55 11.045 -1.198 32.616 1.00 43.13 H new ATOM 0 HG21 ILE A 55 11.812 2.269 33.515 1.00 64.43 H new ATOM 0 HG22 ILE A 55 10.223 2.958 33.102 1.00 64.43 H new ATOM 0 HG23 ILE A 55 10.412 1.976 34.575 1.00 64.43 H new ATOM 0 HD11 ILE A 55 13.087 -1.002 33.949 1.00 1.44 H new ATOM 0 HD12 ILE A 55 13.099 0.173 32.613 1.00 1.44 H new ATOM 0 HD13 ILE A 55 12.729 0.712 34.269 1.00 1.44 H new ATOM 885 N PRO A 56 8.516 0.039 30.428 1.00 32.31 N ATOM 886 CA PRO A 56 8.201 -0.812 29.277 1.00 73.13 C ATOM 887 C PRO A 56 9.295 -1.836 28.995 1.00 4.43 C ATOM 888 O PRO A 56 9.013 -3.001 28.717 1.00 30.11 O ATOM 889 CB PRO A 56 8.090 0.184 28.120 1.00 75.14 C ATOM 890 CG PRO A 56 8.930 1.342 28.535 1.00 71.15 C ATOM 891 CD PRO A 56 8.809 1.426 30.031 1.00 22.00 C ATOM 0 HA PRO A 56 7.298 -1.400 29.440 1.00 73.13 H new ATOM 0 HB2 PRO A 56 8.449 -0.251 27.187 1.00 75.14 H new ATOM 0 HB3 PRO A 56 7.055 0.485 27.954 1.00 75.14 H new ATOM 0 HG2 PRO A 56 9.968 1.199 28.235 1.00 71.15 H new ATOM 0 HG3 PRO A 56 8.586 2.263 28.063 1.00 71.15 H new ATOM 0 HD2 PRO A 56 9.729 1.789 30.489 1.00 22.00 H new ATOM 0 HD3 PRO A 56 8.013 2.107 30.332 1.00 22.00 H new ATOM 899 N VAL A 57 10.547 -1.393 29.070 1.00 54.33 N ATOM 900 CA VAL A 57 11.684 -2.271 28.824 1.00 3.04 C ATOM 901 C VAL A 57 11.734 -3.404 29.844 1.00 51.43 C ATOM 902 O VAL A 57 12.373 -4.431 29.615 1.00 3.41 O ATOM 903 CB VAL A 57 13.013 -1.494 28.872 1.00 64.15 C ATOM 904 CG1 VAL A 57 14.192 -2.443 28.716 1.00 3.32 C ATOM 905 CG2 VAL A 57 13.039 -0.418 27.797 1.00 43.12 C ATOM 0 H VAL A 57 10.798 -0.431 29.299 1.00 54.33 H new ATOM 0 HA VAL A 57 11.551 -2.689 27.826 1.00 3.04 H new ATOM 0 HB VAL A 57 13.095 -1.007 29.844 1.00 64.15 H new ATOM 0 HG11 VAL A 57 15.122 -1.876 28.752 1.00 3.32 H new ATOM 0 HG12 VAL A 57 14.180 -3.174 29.525 1.00 3.32 H new ATOM 0 HG13 VAL A 57 14.119 -2.960 27.759 1.00 3.32 H new ATOM 0 HG21 VAL A 57 13.985 0.121 27.845 1.00 43.12 H new ATOM 0 HG22 VAL A 57 12.935 -0.881 26.816 1.00 43.12 H new ATOM 0 HG23 VAL A 57 12.216 0.278 27.959 1.00 43.12 H new ATOM 915 N ASP A 58 11.055 -3.210 30.969 1.00 53.33 N ATOM 916 CA ASP A 58 11.019 -4.216 32.024 1.00 45.13 C ATOM 917 C ASP A 58 9.830 -5.153 31.841 1.00 20.40 C ATOM 918 O ASP A 58 9.997 -6.367 31.712 1.00 75.05 O ATOM 919 CB ASP A 58 10.949 -3.544 33.396 1.00 24.41 C ATOM 920 CG ASP A 58 11.031 -4.543 34.534 1.00 12.10 C ATOM 921 OD1 ASP A 58 9.980 -5.106 34.906 1.00 72.43 O ATOM 922 OD2 ASP A 58 12.145 -4.762 35.052 1.00 5.53 O ATOM 0 H ASP A 58 10.522 -2.365 31.174 1.00 53.33 H new ATOM 0 HA ASP A 58 11.934 -4.804 31.963 1.00 45.13 H new ATOM 0 HB2 ASP A 58 11.764 -2.825 33.488 1.00 24.41 H new ATOM 0 HB3 ASP A 58 10.018 -2.982 33.475 1.00 24.41 H new ATOM 927 N LEU A 59 8.630 -4.584 31.833 1.00 41.43 N ATOM 928 CA LEU A 59 7.412 -5.368 31.667 1.00 75.30 C ATOM 929 C LEU A 59 7.413 -6.101 30.329 1.00 24.12 C ATOM 930 O LEU A 59 6.888 -7.208 30.216 1.00 54.13 O ATOM 931 CB LEU A 59 6.182 -4.464 31.764 1.00 13.13 C ATOM 932 CG LEU A 59 5.311 -4.377 30.510 1.00 24.20 C ATOM 933 CD1 LEU A 59 3.932 -3.838 30.854 1.00 34.20 C ATOM 934 CD2 LEU A 59 5.979 -3.505 29.457 1.00 62.33 C ATOM 0 H LEU A 59 8.474 -3.582 31.940 1.00 41.43 H new ATOM 0 HA LEU A 59 7.376 -6.108 32.466 1.00 75.30 H new ATOM 0 HB2 LEU A 59 5.562 -4.815 32.589 1.00 13.13 H new ATOM 0 HB3 LEU A 59 6.515 -3.458 32.021 1.00 13.13 H new ATOM 0 HG LEU A 59 5.194 -5.381 30.102 1.00 24.20 H new ATOM 0 HD11 LEU A 59 3.327 -3.783 29.949 1.00 34.20 H new ATOM 0 HD12 LEU A 59 3.451 -4.501 31.573 1.00 34.20 H new ATOM 0 HD13 LEU A 59 4.028 -2.842 31.287 1.00 34.20 H new ATOM 0 HD21 LEU A 59 5.345 -3.454 28.571 1.00 62.33 H new ATOM 0 HD22 LEU A 59 6.126 -2.501 29.856 1.00 62.33 H new ATOM 0 HD23 LEU A 59 6.944 -3.934 29.188 1.00 62.33 H new ATOM 946 N ALA A 60 8.010 -5.477 29.319 1.00 2.42 N ATOM 947 CA ALA A 60 8.085 -6.071 27.990 1.00 34.04 C ATOM 948 C ALA A 60 8.904 -7.357 28.009 1.00 4.32 C ATOM 949 O ALA A 60 8.461 -8.393 27.515 1.00 44.33 O ATOM 950 CB ALA A 60 8.678 -5.079 27.001 1.00 53.01 C ATOM 0 H ALA A 60 8.449 -4.560 29.396 1.00 2.42 H new ATOM 0 HA ALA A 60 7.073 -6.321 27.673 1.00 34.04 H new ATOM 0 HB1 ALA A 60 8.728 -5.536 26.013 1.00 53.01 H new ATOM 0 HB2 ALA A 60 8.050 -4.189 26.958 1.00 53.01 H new ATOM 0 HB3 ALA A 60 9.681 -4.800 27.323 1.00 53.01 H new ATOM 956 N GLU A 61 10.102 -7.281 28.582 1.00 34.52 N ATOM 957 CA GLU A 61 10.983 -8.440 28.663 1.00 21.21 C ATOM 958 C GLU A 61 10.281 -9.611 29.345 1.00 24.10 C ATOM 959 O GLU A 61 10.538 -10.773 29.028 1.00 31.50 O ATOM 960 CB GLU A 61 12.262 -8.084 29.425 1.00 54.03 C ATOM 961 CG GLU A 61 12.105 -8.137 30.935 1.00 22.31 C ATOM 962 CD GLU A 61 12.716 -9.386 31.541 1.00 35.21 C ATOM 963 OE1 GLU A 61 13.921 -9.359 31.866 1.00 1.34 O ATOM 964 OE2 GLU A 61 11.989 -10.390 31.690 1.00 74.43 O ATOM 0 H GLU A 61 10.484 -6.430 28.996 1.00 34.52 H new ATOM 0 HA GLU A 61 11.244 -8.737 27.647 1.00 21.21 H new ATOM 0 HB2 GLU A 61 13.055 -8.769 29.126 1.00 54.03 H new ATOM 0 HB3 GLU A 61 12.580 -7.082 29.136 1.00 54.03 H new ATOM 0 HG2 GLU A 61 12.573 -7.257 31.376 1.00 22.31 H new ATOM 0 HG3 GLU A 61 11.046 -8.096 31.188 1.00 22.31 H new ATOM 971 N LEU A 62 9.395 -9.297 30.283 1.00 2.34 N ATOM 972 CA LEU A 62 8.656 -10.322 31.012 1.00 53.23 C ATOM 973 C LEU A 62 7.567 -10.934 30.136 1.00 43.13 C ATOM 974 O LEU A 62 7.402 -12.154 30.094 1.00 50.22 O ATOM 975 CB LEU A 62 8.034 -9.728 32.277 1.00 21.20 C ATOM 976 CG LEU A 62 7.072 -10.637 33.042 1.00 35.10 C ATOM 977 CD1 LEU A 62 7.439 -10.683 34.517 1.00 63.20 C ATOM 978 CD2 LEU A 62 5.636 -10.165 32.863 1.00 40.11 C ATOM 0 H LEU A 62 9.171 -8.340 30.557 1.00 2.34 H new ATOM 0 HA LEU A 62 9.356 -11.109 31.294 1.00 53.23 H new ATOM 0 HB2 LEU A 62 8.839 -9.436 32.951 1.00 21.20 H new ATOM 0 HB3 LEU A 62 7.501 -8.817 32.003 1.00 21.20 H new ATOM 0 HG LEU A 62 7.156 -11.645 32.636 1.00 35.10 H new ATOM 0 HD11 LEU A 62 6.743 -11.335 35.045 1.00 63.20 H new ATOM 0 HD12 LEU A 62 8.453 -11.068 34.628 1.00 63.20 H new ATOM 0 HD13 LEU A 62 7.385 -9.679 34.937 1.00 63.20 H new ATOM 0 HD21 LEU A 62 4.965 -10.824 33.414 1.00 40.11 H new ATOM 0 HD22 LEU A 62 5.538 -9.148 33.241 1.00 40.11 H new ATOM 0 HD23 LEU A 62 5.376 -10.185 31.805 1.00 40.11 H new ATOM 990 N LEU A 63 6.829 -10.080 29.436 1.00 53.01 N ATOM 991 CA LEU A 63 5.757 -10.536 28.558 1.00 72.51 C ATOM 992 C LEU A 63 6.313 -11.366 27.405 1.00 2.20 C ATOM 993 O LEU A 63 5.796 -12.439 27.094 1.00 61.14 O ATOM 994 CB LEU A 63 4.975 -9.341 28.010 1.00 2.15 C ATOM 995 CG LEU A 63 3.460 -9.518 27.911 1.00 34.34 C ATOM 996 CD1 LEU A 63 2.771 -8.168 27.783 1.00 25.22 C ATOM 997 CD2 LEU A 63 3.103 -10.414 26.734 1.00 23.53 C ATOM 0 H LEU A 63 6.953 -9.068 29.459 1.00 53.01 H new ATOM 0 HA LEU A 63 5.085 -11.164 29.143 1.00 72.51 H new ATOM 0 HB2 LEU A 63 5.179 -8.478 28.643 1.00 2.15 H new ATOM 0 HB3 LEU A 63 5.359 -9.106 27.017 1.00 2.15 H new ATOM 0 HG LEU A 63 3.110 -9.996 28.826 1.00 34.34 H new ATOM 0 HD11 LEU A 63 1.693 -8.315 27.714 1.00 25.22 H new ATOM 0 HD12 LEU A 63 2.999 -7.559 28.658 1.00 25.22 H new ATOM 0 HD13 LEU A 63 3.127 -7.662 26.886 1.00 25.22 H new ATOM 0 HD21 LEU A 63 2.020 -10.529 26.679 1.00 23.53 H new ATOM 0 HD22 LEU A 63 3.467 -9.964 25.811 1.00 23.53 H new ATOM 0 HD23 LEU A 63 3.565 -11.392 26.868 1.00 23.53 H new ATOM 1009 N ILE A 64 7.370 -10.862 26.777 1.00 23.21 N ATOM 1010 CA ILE A 64 7.999 -11.558 25.661 1.00 34.42 C ATOM 1011 C ILE A 64 8.543 -12.915 26.096 1.00 51.12 C ATOM 1012 O ILE A 64 8.525 -13.877 25.328 1.00 24.14 O ATOM 1013 CB ILE A 64 9.145 -10.729 25.054 1.00 40.44 C ATOM 1014 CG1 ILE A 64 10.312 -10.632 26.039 1.00 54.01 C ATOM 1015 CG2 ILE A 64 8.650 -9.341 24.672 1.00 23.34 C ATOM 1016 CD1 ILE A 64 11.518 -9.913 25.478 1.00 64.01 C ATOM 0 H ILE A 64 7.809 -9.974 27.022 1.00 23.21 H new ATOM 0 HA ILE A 64 7.227 -11.704 24.905 1.00 34.42 H new ATOM 0 HB ILE A 64 9.497 -11.229 24.152 1.00 40.44 H new ATOM 0 HG12 ILE A 64 9.976 -10.115 26.938 1.00 54.01 H new ATOM 0 HG13 ILE A 64 10.606 -11.637 26.341 1.00 54.01 H new ATOM 0 HG21 ILE A 64 9.472 -8.767 24.244 1.00 23.34 H new ATOM 0 HG22 ILE A 64 7.849 -9.430 23.938 1.00 23.34 H new ATOM 0 HG23 ILE A 64 8.275 -8.832 25.560 1.00 23.34 H new ATOM 0 HD11 ILE A 64 12.306 -9.882 26.231 1.00 64.01 H new ATOM 0 HD12 ILE A 64 11.879 -10.442 24.596 1.00 64.01 H new ATOM 0 HD13 ILE A 64 11.239 -8.896 25.202 1.00 64.01 H new ATOM 1028 N SER A 65 9.025 -12.984 27.333 1.00 74.43 N ATOM 1029 CA SER A 65 9.576 -14.223 27.870 1.00 41.22 C ATOM 1030 C SER A 65 8.462 -15.181 28.281 1.00 53.45 C ATOM 1031 O SER A 65 8.655 -16.396 28.323 1.00 41.21 O ATOM 1032 CB SER A 65 10.477 -13.926 29.070 1.00 23.30 C ATOM 1033 OG SER A 65 11.237 -15.067 29.431 1.00 2.42 O ATOM 0 H SER A 65 9.045 -12.197 27.982 1.00 74.43 H new ATOM 0 HA SER A 65 10.168 -14.697 27.088 1.00 41.22 H new ATOM 0 HB2 SER A 65 11.147 -13.100 28.831 1.00 23.30 H new ATOM 0 HB3 SER A 65 9.868 -13.608 29.916 1.00 23.30 H new ATOM 0 HG SER A 65 11.806 -14.851 30.199 1.00 2.42 H new ATOM 1039 N LYS A 66 7.294 -14.624 28.583 1.00 74.22 N ATOM 1040 CA LYS A 66 6.146 -15.426 28.989 1.00 31.34 C ATOM 1041 C LYS A 66 5.868 -16.531 27.975 1.00 35.12 C ATOM 1042 O LYS A 66 5.973 -17.717 28.290 1.00 43.33 O ATOM 1043 CB LYS A 66 4.908 -14.540 29.147 1.00 42.04 C ATOM 1044 CG LYS A 66 3.602 -15.315 29.152 1.00 11.14 C ATOM 1045 CD LYS A 66 3.623 -16.435 30.178 1.00 32.54 C ATOM 1046 CE LYS A 66 3.123 -17.744 29.585 1.00 11.22 C ATOM 1047 NZ LYS A 66 4.025 -18.882 29.913 1.00 23.11 N ATOM 0 H LYS A 66 7.118 -13.620 28.554 1.00 74.22 H new ATOM 0 HA LYS A 66 6.379 -15.888 29.948 1.00 31.34 H new ATOM 0 HB2 LYS A 66 4.990 -13.977 30.077 1.00 42.04 H new ATOM 0 HB3 LYS A 66 4.886 -13.813 28.335 1.00 42.04 H new ATOM 0 HG2 LYS A 66 2.776 -14.637 29.369 1.00 11.14 H new ATOM 0 HG3 LYS A 66 3.421 -15.731 28.161 1.00 11.14 H new ATOM 0 HD2 LYS A 66 4.638 -16.568 30.552 1.00 32.54 H new ATOM 0 HD3 LYS A 66 3.002 -16.160 31.031 1.00 32.54 H new ATOM 0 HE2 LYS A 66 2.122 -17.954 29.961 1.00 11.22 H new ATOM 0 HE3 LYS A 66 3.042 -17.645 28.503 1.00 11.22 H new ATOM 0 HZ1 LYS A 66 3.576 -19.775 29.625 1.00 23.11 H new ATOM 0 HZ2 LYS A 66 4.926 -18.768 29.406 1.00 23.11 H new ATOM 0 HZ3 LYS A 66 4.204 -18.899 30.937 1.00 23.11 H new ATOM 1061 N TYR A 67 5.513 -16.135 26.758 1.00 50.40 N ATOM 1062 CA TYR A 67 5.219 -17.092 25.698 1.00 53.40 C ATOM 1063 C TYR A 67 6.124 -16.864 24.491 1.00 1.54 C ATOM 1064 O TYR A 67 6.603 -17.812 23.872 1.00 22.51 O ATOM 1065 CB TYR A 67 3.752 -16.983 25.277 1.00 62.11 C ATOM 1066 CG TYR A 67 3.094 -18.321 25.024 1.00 45.24 C ATOM 1067 CD1 TYR A 67 3.744 -19.310 24.295 1.00 43.51 C ATOM 1068 CD2 TYR A 67 1.823 -18.596 25.512 1.00 42.21 C ATOM 1069 CE1 TYR A 67 3.147 -20.533 24.060 1.00 1.03 C ATOM 1070 CE2 TYR A 67 1.219 -19.817 25.284 1.00 51.25 C ATOM 1071 CZ TYR A 67 1.885 -20.782 24.557 1.00 33.00 C ATOM 1072 OH TYR A 67 1.286 -21.999 24.326 1.00 34.11 O ATOM 0 H TYR A 67 5.422 -15.158 26.481 1.00 50.40 H new ATOM 0 HA TYR A 67 5.406 -18.093 26.085 1.00 53.40 H new ATOM 0 HB2 TYR A 67 3.198 -16.456 26.054 1.00 62.11 H new ATOM 0 HB3 TYR A 67 3.686 -16.378 24.373 1.00 62.11 H new ATOM 0 HD1 TYR A 67 4.733 -19.119 23.906 1.00 43.51 H new ATOM 0 HD2 TYR A 67 1.298 -17.842 26.080 1.00 42.21 H new ATOM 0 HE1 TYR A 67 3.665 -21.290 23.490 1.00 1.03 H new ATOM 0 HE2 TYR A 67 0.231 -20.015 25.673 1.00 51.25 H new ATOM 0 HH TYR A 67 0.400 -22.012 24.745 1.00 34.11 H new ATOM 1082 N GLY A 68 6.355 -15.596 24.164 1.00 54.43 N ATOM 1083 CA GLY A 68 7.202 -15.264 23.033 1.00 10.23 C ATOM 1084 C GLY A 68 7.194 -13.781 22.718 1.00 73.21 C ATOM 1085 O GLY A 68 6.180 -13.108 22.899 1.00 53.05 O ATOM 0 H GLY A 68 5.971 -14.793 24.662 1.00 54.43 H new ATOM 0 HA2 GLY A 68 8.223 -15.582 23.242 1.00 10.23 H new ATOM 0 HA3 GLY A 68 6.868 -15.820 22.157 1.00 10.23 H new ATOM 1089 N GLU A 69 8.328 -13.271 22.247 1.00 34.50 N ATOM 1090 CA GLU A 69 8.447 -11.858 21.909 1.00 75.12 C ATOM 1091 C GLU A 69 7.573 -11.511 20.706 1.00 25.12 C ATOM 1092 O GLU A 69 7.140 -10.370 20.548 1.00 52.33 O ATOM 1093 CB GLU A 69 9.905 -11.503 21.613 1.00 2.54 C ATOM 1094 CG GLU A 69 10.531 -12.355 20.523 1.00 73.45 C ATOM 1095 CD GLU A 69 11.523 -11.583 19.675 1.00 20.11 C ATOM 1096 OE1 GLU A 69 12.710 -11.523 20.059 1.00 11.04 O ATOM 1097 OE2 GLU A 69 11.113 -11.039 18.629 1.00 43.13 O ATOM 0 H GLU A 69 9.176 -13.815 22.091 1.00 34.50 H new ATOM 0 HA GLU A 69 8.105 -11.276 22.765 1.00 75.12 H new ATOM 0 HB2 GLU A 69 9.962 -10.455 21.320 1.00 2.54 H new ATOM 0 HB3 GLU A 69 10.489 -11.611 22.527 1.00 2.54 H new ATOM 0 HG2 GLU A 69 11.035 -13.208 20.978 1.00 73.45 H new ATOM 0 HG3 GLU A 69 9.744 -12.754 19.882 1.00 73.45 H new ATOM 1104 N LYS A 70 7.320 -12.504 19.861 1.00 71.14 N ATOM 1105 CA LYS A 70 6.499 -12.307 18.672 1.00 15.32 C ATOM 1106 C LYS A 70 5.073 -11.922 19.054 1.00 73.11 C ATOM 1107 O LYS A 70 4.696 -10.753 18.983 1.00 2.33 O ATOM 1108 CB LYS A 70 6.484 -13.578 17.820 1.00 44.31 C ATOM 1109 CG LYS A 70 7.087 -13.390 16.438 1.00 21.44 C ATOM 1110 CD LYS A 70 8.560 -13.027 16.517 1.00 25.53 C ATOM 1111 CE LYS A 70 8.933 -11.981 15.478 1.00 21.12 C ATOM 1112 NZ LYS A 70 10.333 -12.149 15.000 1.00 43.33 N ATOM 0 H LYS A 70 7.672 -13.454 19.977 1.00 71.14 H new ATOM 0 HA LYS A 70 6.934 -11.493 18.092 1.00 15.32 H new ATOM 0 HB2 LYS A 70 7.031 -14.362 18.343 1.00 44.31 H new ATOM 0 HB3 LYS A 70 5.455 -13.923 17.715 1.00 44.31 H new ATOM 0 HG2 LYS A 70 6.968 -14.307 15.860 1.00 21.44 H new ATOM 0 HG3 LYS A 70 6.546 -12.606 15.908 1.00 21.44 H new ATOM 0 HD2 LYS A 70 8.790 -12.650 17.513 1.00 25.53 H new ATOM 0 HD3 LYS A 70 9.165 -13.921 16.368 1.00 25.53 H new ATOM 0 HE2 LYS A 70 8.250 -12.050 14.632 1.00 21.12 H new ATOM 0 HE3 LYS A 70 8.812 -10.986 15.905 1.00 21.12 H new ATOM 0 HZ1 LYS A 70 10.549 -11.417 14.293 1.00 43.33 H new ATOM 0 HZ2 LYS A 70 10.987 -12.058 15.803 1.00 43.33 H new ATOM 0 HZ3 LYS A 70 10.442 -13.089 14.569 1.00 43.33 H new ATOM 1126 N GLU A 71 4.285 -12.914 19.459 1.00 4.44 N ATOM 1127 CA GLU A 71 2.901 -12.677 19.853 1.00 44.02 C ATOM 1128 C GLU A 71 2.811 -11.540 20.866 1.00 14.15 C ATOM 1129 O GLU A 71 1.795 -10.851 20.953 1.00 34.11 O ATOM 1130 CB GLU A 71 2.291 -13.950 20.442 1.00 34.21 C ATOM 1131 CG GLU A 71 0.815 -13.817 20.780 1.00 22.51 C ATOM 1132 CD GLU A 71 -0.030 -13.463 19.572 1.00 33.03 C ATOM 1133 OE1 GLU A 71 -0.194 -14.329 18.687 1.00 13.45 O ATOM 1134 OE2 GLU A 71 -0.528 -12.319 19.513 1.00 74.24 O ATOM 0 H GLU A 71 4.581 -13.888 19.523 1.00 4.44 H new ATOM 0 HA GLU A 71 2.340 -12.392 18.963 1.00 44.02 H new ATOM 0 HB2 GLU A 71 2.421 -14.767 19.732 1.00 34.21 H new ATOM 0 HB3 GLU A 71 2.839 -14.222 21.344 1.00 34.21 H new ATOM 0 HG2 GLU A 71 0.458 -14.754 21.207 1.00 22.51 H new ATOM 0 HG3 GLU A 71 0.689 -13.050 21.544 1.00 22.51 H new ATOM 1141 N ALA A 72 3.881 -11.351 21.632 1.00 54.53 N ATOM 1142 CA ALA A 72 3.923 -10.297 22.638 1.00 21.12 C ATOM 1143 C ALA A 72 3.483 -8.960 22.052 1.00 1.22 C ATOM 1144 O ALA A 72 2.471 -8.392 22.465 1.00 65.42 O ATOM 1145 CB ALA A 72 5.322 -10.184 23.225 1.00 45.43 C ATOM 0 H ALA A 72 4.730 -11.914 21.575 1.00 54.53 H new ATOM 0 HA ALA A 72 3.227 -10.561 23.434 1.00 21.12 H new ATOM 0 HB1 ALA A 72 5.339 -9.393 23.975 1.00 45.43 H new ATOM 0 HB2 ALA A 72 5.599 -11.130 23.689 1.00 45.43 H new ATOM 0 HB3 ALA A 72 6.031 -9.947 22.432 1.00 45.43 H new ATOM 1151 N VAL A 73 4.250 -8.460 21.088 1.00 71.40 N ATOM 1152 CA VAL A 73 3.939 -7.189 20.445 1.00 73.42 C ATOM 1153 C VAL A 73 2.566 -7.230 19.783 1.00 13.14 C ATOM 1154 O VAL A 73 1.879 -6.212 19.689 1.00 64.13 O ATOM 1155 CB VAL A 73 4.996 -6.822 19.386 1.00 33.53 C ATOM 1156 CG1 VAL A 73 4.503 -5.678 18.514 1.00 1.20 C ATOM 1157 CG2 VAL A 73 6.316 -6.466 20.053 1.00 15.33 C ATOM 0 H VAL A 73 5.091 -8.916 20.735 1.00 71.40 H new ATOM 0 HA VAL A 73 3.940 -6.430 21.227 1.00 73.42 H new ATOM 0 HB VAL A 73 5.161 -7.689 18.746 1.00 33.53 H new ATOM 0 HG11 VAL A 73 5.263 -5.433 17.772 1.00 1.20 H new ATOM 0 HG12 VAL A 73 3.585 -5.976 18.008 1.00 1.20 H new ATOM 0 HG13 VAL A 73 4.308 -4.804 19.136 1.00 1.20 H new ATOM 0 HG21 VAL A 73 7.051 -6.209 19.290 1.00 15.33 H new ATOM 0 HG22 VAL A 73 6.170 -5.614 20.717 1.00 15.33 H new ATOM 0 HG23 VAL A 73 6.674 -7.319 20.630 1.00 15.33 H new ATOM 1167 N LYS A 74 2.170 -8.413 19.327 1.00 73.20 N ATOM 1168 CA LYS A 74 0.877 -8.589 18.675 1.00 2.13 C ATOM 1169 C LYS A 74 -0.264 -8.394 19.668 1.00 1.35 C ATOM 1170 O LYS A 74 -1.223 -7.673 19.393 1.00 11.24 O ATOM 1171 CB LYS A 74 0.786 -9.980 18.044 1.00 20.14 C ATOM 1172 CG LYS A 74 1.371 -10.053 16.645 1.00 43.24 C ATOM 1173 CD LYS A 74 2.490 -11.078 16.560 1.00 10.35 C ATOM 1174 CE LYS A 74 3.004 -11.226 15.137 1.00 41.13 C ATOM 1175 NZ LYS A 74 4.287 -10.498 14.932 1.00 61.12 N ATOM 0 H LYS A 74 2.726 -9.265 19.397 1.00 73.20 H new ATOM 0 HA LYS A 74 0.787 -7.835 17.893 1.00 2.13 H new ATOM 0 HB2 LYS A 74 1.305 -10.694 18.683 1.00 20.14 H new ATOM 0 HB3 LYS A 74 -0.260 -10.286 18.008 1.00 20.14 H new ATOM 0 HG2 LYS A 74 0.586 -10.311 15.934 1.00 43.24 H new ATOM 0 HG3 LYS A 74 1.752 -9.073 16.357 1.00 43.24 H new ATOM 0 HD2 LYS A 74 3.309 -10.779 17.214 1.00 10.35 H new ATOM 0 HD3 LYS A 74 2.130 -12.042 16.920 1.00 10.35 H new ATOM 0 HE2 LYS A 74 3.146 -12.283 14.910 1.00 41.13 H new ATOM 0 HE3 LYS A 74 2.256 -10.848 14.440 1.00 41.13 H new ATOM 0 HZ1 LYS A 74 4.604 -10.624 13.950 1.00 61.12 H new ATOM 0 HZ2 LYS A 74 4.146 -9.486 15.124 1.00 61.12 H new ATOM 0 HZ3 LYS A 74 5.008 -10.876 15.579 1.00 61.12 H new ATOM 1189 N VAL A 75 -0.153 -9.040 20.825 1.00 41.40 N ATOM 1190 CA VAL A 75 -1.174 -8.935 21.860 1.00 12.23 C ATOM 1191 C VAL A 75 -1.397 -7.483 22.267 1.00 0.44 C ATOM 1192 O VAL A 75 -2.431 -7.139 22.841 1.00 42.35 O ATOM 1193 CB VAL A 75 -0.794 -9.754 23.108 1.00 14.22 C ATOM 1194 CG1 VAL A 75 0.218 -8.998 23.956 1.00 54.14 C ATOM 1195 CG2 VAL A 75 -2.035 -10.093 23.920 1.00 13.44 C ATOM 0 H VAL A 75 0.634 -9.641 21.069 1.00 41.40 H new ATOM 0 HA VAL A 75 -2.095 -9.336 21.438 1.00 12.23 H new ATOM 0 HB VAL A 75 -0.334 -10.687 22.783 1.00 14.22 H new ATOM 0 HG11 VAL A 75 0.474 -9.592 24.833 1.00 54.14 H new ATOM 0 HG12 VAL A 75 1.117 -8.811 23.369 1.00 54.14 H new ATOM 0 HG13 VAL A 75 -0.211 -8.048 24.274 1.00 54.14 H new ATOM 0 HG21 VAL A 75 -1.748 -10.672 24.798 1.00 13.44 H new ATOM 0 HG22 VAL A 75 -2.525 -9.172 24.236 1.00 13.44 H new ATOM 0 HG23 VAL A 75 -2.722 -10.678 23.308 1.00 13.44 H new ATOM 1205 N VAL A 76 -0.420 -6.633 21.967 1.00 41.11 N ATOM 1206 CA VAL A 76 -0.509 -5.216 22.300 1.00 74.21 C ATOM 1207 C VAL A 76 -1.360 -4.465 21.282 1.00 70.11 C ATOM 1208 O VAL A 76 -2.317 -3.778 21.642 1.00 2.11 O ATOM 1209 CB VAL A 76 0.885 -4.566 22.367 1.00 64.15 C ATOM 1210 CG1 VAL A 76 0.812 -3.102 21.959 1.00 25.43 C ATOM 1211 CG2 VAL A 76 1.474 -4.711 23.762 1.00 62.24 C ATOM 0 H VAL A 76 0.443 -6.901 21.494 1.00 41.11 H new ATOM 0 HA VAL A 76 -0.979 -5.151 23.281 1.00 74.21 H new ATOM 0 HB VAL A 76 1.541 -5.081 21.666 1.00 64.15 H new ATOM 0 HG11 VAL A 76 1.807 -2.659 22.013 1.00 25.43 H new ATOM 0 HG12 VAL A 76 0.436 -3.027 20.939 1.00 25.43 H new ATOM 0 HG13 VAL A 76 0.141 -2.569 22.633 1.00 25.43 H new ATOM 0 HG21 VAL A 76 2.459 -4.246 23.791 1.00 62.24 H new ATOM 0 HG22 VAL A 76 0.821 -4.223 24.485 1.00 62.24 H new ATOM 0 HG23 VAL A 76 1.564 -5.768 24.011 1.00 62.24 H new ATOM 1221 N LEU A 77 -1.006 -4.600 20.009 1.00 71.43 N ATOM 1222 CA LEU A 77 -1.738 -3.935 18.936 1.00 5.23 C ATOM 1223 C LEU A 77 -3.121 -4.552 18.756 1.00 64.13 C ATOM 1224 O LEU A 77 -4.116 -3.842 18.615 1.00 52.42 O ATOM 1225 CB LEU A 77 -0.953 -4.022 17.626 1.00 24.03 C ATOM 1226 CG LEU A 77 -0.366 -5.392 17.285 1.00 33.41 C ATOM 1227 CD1 LEU A 77 -1.037 -5.966 16.046 1.00 25.34 C ATOM 1228 CD2 LEU A 77 1.139 -5.293 17.082 1.00 75.11 C ATOM 0 H LEU A 77 -0.217 -5.164 19.694 1.00 71.43 H new ATOM 0 HA LEU A 77 -1.861 -2.887 19.209 1.00 5.23 H new ATOM 0 HB2 LEU A 77 -1.610 -3.717 16.811 1.00 24.03 H new ATOM 0 HB3 LEU A 77 -0.138 -3.299 17.665 1.00 24.03 H new ATOM 0 HG LEU A 77 -0.555 -6.065 18.121 1.00 33.41 H new ATOM 0 HD11 LEU A 77 -0.607 -6.941 15.818 1.00 25.34 H new ATOM 0 HD12 LEU A 77 -2.106 -6.075 16.229 1.00 25.34 H new ATOM 0 HD13 LEU A 77 -0.880 -5.294 15.203 1.00 25.34 H new ATOM 0 HD21 LEU A 77 1.539 -6.278 16.840 1.00 75.11 H new ATOM 0 HD22 LEU A 77 1.351 -4.604 16.264 1.00 75.11 H new ATOM 0 HD23 LEU A 77 1.606 -4.926 17.996 1.00 75.11 H new ATOM 1240 N LYS A 78 -3.176 -5.880 18.763 1.00 2.40 N ATOM 1241 CA LYS A 78 -4.437 -6.594 18.604 1.00 64.43 C ATOM 1242 C LYS A 78 -5.482 -6.079 19.588 1.00 71.42 C ATOM 1243 O LYS A 78 -6.633 -5.846 19.220 1.00 3.13 O ATOM 1244 CB LYS A 78 -4.225 -8.096 18.808 1.00 25.20 C ATOM 1245 CG LYS A 78 -5.051 -8.960 17.871 1.00 32.14 C ATOM 1246 CD LYS A 78 -6.006 -9.860 18.639 1.00 5.50 C ATOM 1247 CE LYS A 78 -7.142 -9.064 19.262 1.00 52.41 C ATOM 1248 NZ LYS A 78 -8.096 -8.562 18.234 1.00 1.43 N ATOM 0 H LYS A 78 -2.361 -6.483 18.877 1.00 2.40 H new ATOM 0 HA LYS A 78 -4.800 -6.418 17.591 1.00 64.43 H new ATOM 0 HB2 LYS A 78 -3.169 -8.328 18.666 1.00 25.20 H new ATOM 0 HB3 LYS A 78 -4.472 -8.353 19.838 1.00 25.20 H new ATOM 0 HG2 LYS A 78 -5.617 -8.323 17.191 1.00 32.14 H new ATOM 0 HG3 LYS A 78 -4.388 -9.570 17.258 1.00 32.14 H new ATOM 0 HD2 LYS A 78 -6.415 -10.615 17.968 1.00 5.50 H new ATOM 0 HD3 LYS A 78 -5.460 -10.389 19.420 1.00 5.50 H new ATOM 0 HE2 LYS A 78 -7.675 -9.691 19.977 1.00 52.41 H new ATOM 0 HE3 LYS A 78 -6.732 -8.222 19.820 1.00 52.41 H new ATOM 0 HZ1 LYS A 78 -8.961 -8.220 18.700 1.00 1.43 H new ATOM 0 HZ2 LYS A 78 -7.657 -7.782 17.704 1.00 1.43 H new ATOM 0 HZ3 LYS A 78 -8.338 -9.333 17.579 1.00 1.43 H new ATOM 1262 N GLY A 79 -5.073 -5.903 20.841 1.00 71.22 N ATOM 1263 CA GLY A 79 -5.987 -5.416 21.858 1.00 45.54 C ATOM 1264 C GLY A 79 -6.168 -3.912 21.801 1.00 4.32 C ATOM 1265 O GLY A 79 -7.152 -3.377 22.315 1.00 64.52 O ATOM 0 H GLY A 79 -4.126 -6.089 21.170 1.00 71.22 H new ATOM 0 HA2 GLY A 79 -6.955 -5.901 21.734 1.00 45.54 H new ATOM 0 HA3 GLY A 79 -5.614 -5.697 22.843 1.00 45.54 H new ATOM 1269 N LEU A 80 -5.216 -3.226 21.177 1.00 12.13 N ATOM 1270 CA LEU A 80 -5.274 -1.773 21.057 1.00 61.21 C ATOM 1271 C LEU A 80 -6.310 -1.354 20.019 1.00 42.41 C ATOM 1272 O LEU A 80 -6.912 -0.285 20.123 1.00 4.41 O ATOM 1273 CB LEU A 80 -3.900 -1.218 20.676 1.00 31.35 C ATOM 1274 CG LEU A 80 -3.255 -0.271 21.689 1.00 53.35 C ATOM 1275 CD1 LEU A 80 -2.782 -1.039 22.913 1.00 41.13 C ATOM 1276 CD2 LEU A 80 -2.099 0.484 21.050 1.00 5.52 C ATOM 0 H LEU A 80 -4.395 -3.652 20.747 1.00 12.13 H new ATOM 0 HA LEU A 80 -5.569 -1.364 22.023 1.00 61.21 H new ATOM 0 HB2 LEU A 80 -3.224 -2.057 20.511 1.00 31.35 H new ATOM 0 HB3 LEU A 80 -3.993 -0.693 19.726 1.00 31.35 H new ATOM 0 HG LEU A 80 -4.004 0.454 22.009 1.00 53.35 H new ATOM 0 HD11 LEU A 80 -2.326 -0.348 23.622 1.00 41.13 H new ATOM 0 HD12 LEU A 80 -3.632 -1.533 23.383 1.00 41.13 H new ATOM 0 HD13 LEU A 80 -2.048 -1.787 22.612 1.00 41.13 H new ATOM 0 HD21 LEU A 80 -1.651 1.153 21.785 1.00 5.52 H new ATOM 0 HD22 LEU A 80 -1.349 -0.226 20.702 1.00 5.52 H new ATOM 0 HD23 LEU A 80 -2.467 1.066 20.205 1.00 5.52 H new ATOM 1288 N LYS A 81 -6.515 -2.203 19.018 1.00 24.21 N ATOM 1289 CA LYS A 81 -7.480 -1.924 17.962 1.00 53.30 C ATOM 1290 C LYS A 81 -8.844 -1.575 18.550 1.00 61.21 C ATOM 1291 O LYS A 81 -9.374 -0.489 18.314 1.00 61.44 O ATOM 1292 CB LYS A 81 -7.609 -3.129 17.028 1.00 63.11 C ATOM 1293 CG LYS A 81 -6.754 -3.023 15.777 1.00 41.01 C ATOM 1294 CD LYS A 81 -7.510 -2.357 14.640 1.00 51.42 C ATOM 1295 CE LYS A 81 -8.638 -3.239 14.128 1.00 62.54 C ATOM 1296 NZ LYS A 81 -9.082 -2.837 12.764 1.00 11.35 N ATOM 0 H LYS A 81 -6.025 -3.092 18.916 1.00 24.21 H new ATOM 0 HA LYS A 81 -7.119 -1.068 17.392 1.00 53.30 H new ATOM 0 HB2 LYS A 81 -7.331 -4.031 17.572 1.00 63.11 H new ATOM 0 HB3 LYS A 81 -8.653 -3.242 16.736 1.00 63.11 H new ATOM 0 HG2 LYS A 81 -5.852 -2.453 15.999 1.00 41.01 H new ATOM 0 HG3 LYS A 81 -6.434 -4.018 15.469 1.00 41.01 H new ATOM 0 HD2 LYS A 81 -7.917 -1.405 14.981 1.00 51.42 H new ATOM 0 HD3 LYS A 81 -6.821 -2.135 13.825 1.00 51.42 H new ATOM 0 HE2 LYS A 81 -8.308 -4.278 14.111 1.00 62.54 H new ATOM 0 HE3 LYS A 81 -9.482 -3.184 14.815 1.00 62.54 H new ATOM 0 HZ1 LYS A 81 -9.852 -3.462 12.451 1.00 11.35 H new ATOM 0 HZ2 LYS A 81 -9.421 -1.854 12.785 1.00 11.35 H new ATOM 0 HZ3 LYS A 81 -8.283 -2.913 12.102 1.00 11.35 H new ATOM 1310 N VAL A 82 -9.407 -2.503 19.318 1.00 3.42 N ATOM 1311 CA VAL A 82 -10.707 -2.292 19.942 1.00 35.12 C ATOM 1312 C VAL A 82 -10.688 -1.072 20.856 1.00 24.12 C ATOM 1313 O VAL A 82 -11.718 -0.672 21.396 1.00 55.52 O ATOM 1314 CB VAL A 82 -11.145 -3.524 20.757 1.00 2.44 C ATOM 1315 CG1 VAL A 82 -12.640 -3.479 21.033 1.00 51.54 C ATOM 1316 CG2 VAL A 82 -10.767 -4.805 20.030 1.00 25.13 C ATOM 0 H VAL A 82 -8.983 -3.408 19.523 1.00 3.42 H new ATOM 0 HA VAL A 82 -11.421 -2.126 19.136 1.00 35.12 H new ATOM 0 HB VAL A 82 -10.623 -3.509 21.714 1.00 2.44 H new ATOM 0 HG11 VAL A 82 -12.930 -4.357 21.610 1.00 51.54 H new ATOM 0 HG12 VAL A 82 -12.879 -2.578 21.599 1.00 51.54 H new ATOM 0 HG13 VAL A 82 -13.184 -3.469 20.089 1.00 51.54 H new ATOM 0 HG21 VAL A 82 -11.084 -5.665 20.620 1.00 25.13 H new ATOM 0 HG22 VAL A 82 -11.259 -4.830 19.058 1.00 25.13 H new ATOM 0 HG23 VAL A 82 -9.686 -4.839 19.890 1.00 25.13 H new ATOM 1326 N MET A 83 -9.507 -0.485 21.025 1.00 72.21 N ATOM 1327 CA MET A 83 -9.353 0.691 21.873 1.00 54.32 C ATOM 1328 C MET A 83 -9.225 1.956 21.030 1.00 65.03 C ATOM 1329 O MET A 83 -9.312 3.069 21.546 1.00 35.14 O ATOM 1330 CB MET A 83 -8.128 0.539 22.776 1.00 43.05 C ATOM 1331 CG MET A 83 -8.050 1.585 23.876 1.00 64.12 C ATOM 1332 SD MET A 83 -9.413 1.462 25.049 1.00 20.43 S ATOM 1333 CE MET A 83 -8.525 1.499 26.605 1.00 75.14 C ATOM 0 H MET A 83 -8.644 -0.805 20.586 1.00 72.21 H new ATOM 0 HA MET A 83 -10.244 0.779 22.495 1.00 54.32 H new ATOM 0 HB2 MET A 83 -8.142 -0.452 23.229 1.00 43.05 H new ATOM 0 HB3 MET A 83 -7.227 0.598 22.165 1.00 43.05 H new ATOM 0 HG2 MET A 83 -7.106 1.476 24.409 1.00 64.12 H new ATOM 0 HG3 MET A 83 -8.050 2.579 23.428 1.00 64.12 H new ATOM 0 HE1 MET A 83 -9.029 0.857 27.327 1.00 75.14 H new ATOM 0 HE2 MET A 83 -7.507 1.142 26.451 1.00 75.14 H new ATOM 0 HE3 MET A 83 -8.498 2.520 26.984 1.00 75.14 H new ATOM 1343 N ASN A 84 -9.015 1.776 19.730 1.00 53.45 N ATOM 1344 CA ASN A 84 -8.873 2.904 18.815 1.00 34.23 C ATOM 1345 C ASN A 84 -7.531 3.600 19.015 1.00 43.22 C ATOM 1346 O ASN A 84 -7.423 4.819 18.870 1.00 73.31 O ATOM 1347 CB ASN A 84 -10.014 3.902 19.023 1.00 52.03 C ATOM 1348 CG ASN A 84 -10.711 4.261 17.725 1.00 52.34 C ATOM 1349 OD1 ASN A 84 -11.794 3.756 17.428 1.00 63.42 O ATOM 1350 ND2 ASN A 84 -10.092 5.139 16.944 1.00 64.43 N ATOM 0 H ASN A 84 -8.939 0.861 19.286 1.00 53.45 H new ATOM 0 HA ASN A 84 -8.915 2.521 17.795 1.00 34.23 H new ATOM 0 HB2 ASN A 84 -10.740 3.480 19.718 1.00 52.03 H new ATOM 0 HB3 ASN A 84 -9.621 4.808 19.484 1.00 52.03 H new ATOM 0 HD21 ASN A 84 -10.513 5.420 16.059 1.00 64.43 H new ATOM 0 HD22 ASN A 84 -9.195 5.532 17.230 1.00 64.43 H new ATOM 1357 N LEU A 85 -6.509 2.819 19.347 1.00 11.04 N ATOM 1358 CA LEU A 85 -5.172 3.360 19.566 1.00 20.22 C ATOM 1359 C LEU A 85 -4.337 3.281 18.292 1.00 33.20 C ATOM 1360 O LEU A 85 -3.111 3.178 18.346 1.00 70.13 O ATOM 1361 CB LEU A 85 -4.472 2.602 20.696 1.00 74.43 C ATOM 1362 CG LEU A 85 -4.361 3.339 22.031 1.00 73.32 C ATOM 1363 CD1 LEU A 85 -4.024 4.804 21.805 1.00 55.41 C ATOM 1364 CD2 LEU A 85 -5.653 3.202 22.824 1.00 3.52 C ATOM 0 H LEU A 85 -6.581 1.809 19.470 1.00 11.04 H new ATOM 0 HA LEU A 85 -5.273 4.408 19.848 1.00 20.22 H new ATOM 0 HB2 LEU A 85 -5.005 1.666 20.864 1.00 74.43 H new ATOM 0 HB3 LEU A 85 -3.467 2.341 20.363 1.00 74.43 H new ATOM 0 HG LEU A 85 -3.554 2.887 22.608 1.00 73.32 H new ATOM 0 HD11 LEU A 85 -3.949 5.313 22.766 1.00 55.41 H new ATOM 0 HD12 LEU A 85 -3.073 4.881 21.278 1.00 55.41 H new ATOM 0 HD13 LEU A 85 -4.808 5.270 21.208 1.00 55.41 H new ATOM 0 HD21 LEU A 85 -5.556 3.732 23.771 1.00 3.52 H new ATOM 0 HD22 LEU A 85 -6.478 3.627 22.252 1.00 3.52 H new ATOM 0 HD23 LEU A 85 -5.851 2.148 23.017 1.00 3.52 H new ATOM 1376 N LEU A 86 -5.009 3.332 17.147 1.00 20.41 N ATOM 1377 CA LEU A 86 -4.329 3.268 15.858 1.00 52.22 C ATOM 1378 C LEU A 86 -3.374 4.445 15.687 1.00 14.32 C ATOM 1379 O LEU A 86 -2.555 4.463 14.770 1.00 44.23 O ATOM 1380 CB LEU A 86 -5.352 3.257 14.720 1.00 24.10 C ATOM 1381 CG LEU A 86 -6.188 4.527 14.557 1.00 60.53 C ATOM 1382 CD1 LEU A 86 -5.574 5.439 13.506 1.00 20.31 C ATOM 1383 CD2 LEU A 86 -7.623 4.176 14.189 1.00 4.50 C ATOM 0 H LEU A 86 -6.024 3.417 17.085 1.00 20.41 H new ATOM 0 HA LEU A 86 -3.749 2.346 15.826 1.00 52.22 H new ATOM 0 HB2 LEU A 86 -4.824 3.071 13.785 1.00 24.10 H new ATOM 0 HB3 LEU A 86 -6.030 2.417 14.875 1.00 24.10 H new ATOM 0 HG LEU A 86 -6.197 5.059 15.509 1.00 60.53 H new ATOM 0 HD11 LEU A 86 -6.182 6.338 13.404 1.00 20.31 H new ATOM 0 HD12 LEU A 86 -4.565 5.717 13.810 1.00 20.31 H new ATOM 0 HD13 LEU A 86 -5.534 4.917 12.550 1.00 20.31 H new ATOM 0 HD21 LEU A 86 -8.204 5.091 14.077 1.00 4.50 H new ATOM 0 HD22 LEU A 86 -7.633 3.623 13.250 1.00 4.50 H new ATOM 0 HD23 LEU A 86 -8.061 3.562 14.976 1.00 4.50 H new ATOM 1395 N GLU A 87 -3.486 5.425 16.578 1.00 0.44 N ATOM 1396 CA GLU A 87 -2.631 6.605 16.526 1.00 0.43 C ATOM 1397 C GLU A 87 -1.159 6.208 16.457 1.00 12.33 C ATOM 1398 O GLU A 87 -0.521 6.328 15.411 1.00 64.43 O ATOM 1399 CB GLU A 87 -2.874 7.493 17.749 1.00 52.25 C ATOM 1400 CG GLU A 87 -1.994 8.731 17.786 1.00 11.24 C ATOM 1401 CD GLU A 87 -2.088 9.473 19.105 1.00 3.44 C ATOM 1402 OE1 GLU A 87 -3.070 9.251 19.844 1.00 63.32 O ATOM 1403 OE2 GLU A 87 -1.178 10.277 19.399 1.00 40.20 O ATOM 0 H GLU A 87 -4.160 5.425 17.344 1.00 0.44 H new ATOM 0 HA GLU A 87 -2.882 7.164 15.624 1.00 0.43 H new ATOM 0 HB2 GLU A 87 -3.920 7.800 17.763 1.00 52.25 H new ATOM 0 HB3 GLU A 87 -2.702 6.908 18.652 1.00 52.25 H new ATOM 0 HG2 GLU A 87 -0.958 8.442 17.609 1.00 11.24 H new ATOM 0 HG3 GLU A 87 -2.281 9.401 16.975 1.00 11.24 H new ATOM 1410 N LEU A 88 -0.627 5.736 17.579 1.00 2.51 N ATOM 1411 CA LEU A 88 0.770 5.322 17.648 1.00 62.33 C ATOM 1412 C LEU A 88 0.964 3.953 17.002 1.00 2.34 C ATOM 1413 O LEU A 88 2.027 3.658 16.456 1.00 23.23 O ATOM 1414 CB LEU A 88 1.240 5.283 19.103 1.00 45.42 C ATOM 1415 CG LEU A 88 0.872 6.495 19.959 1.00 4.52 C ATOM 1416 CD1 LEU A 88 0.991 7.777 19.149 1.00 0.23 C ATOM 1417 CD2 LEU A 88 -0.534 6.345 20.520 1.00 73.01 C ATOM 0 H LEU A 88 -1.142 5.630 18.453 1.00 2.51 H new ATOM 0 HA LEU A 88 1.367 6.051 17.100 1.00 62.33 H new ATOM 0 HB2 LEU A 88 0.826 4.391 19.574 1.00 45.42 H new ATOM 0 HB3 LEU A 88 2.324 5.173 19.111 1.00 45.42 H new ATOM 0 HG LEU A 88 1.570 6.551 20.794 1.00 4.52 H new ATOM 0 HD11 LEU A 88 0.725 8.629 19.775 1.00 0.23 H new ATOM 0 HD12 LEU A 88 2.016 7.891 18.797 1.00 0.23 H new ATOM 0 HD13 LEU A 88 0.317 7.731 18.294 1.00 0.23 H new ATOM 0 HD21 LEU A 88 -0.779 7.217 21.127 1.00 73.01 H new ATOM 0 HD22 LEU A 88 -1.246 6.263 19.699 1.00 73.01 H new ATOM 0 HD23 LEU A 88 -0.586 5.448 21.137 1.00 73.01 H new ATOM 1429 N VAL A 89 -0.071 3.122 17.067 1.00 20.13 N ATOM 1430 CA VAL A 89 -0.016 1.786 16.487 1.00 61.34 C ATOM 1431 C VAL A 89 0.337 1.845 15.005 1.00 62.33 C ATOM 1432 O VAL A 89 0.910 0.904 14.455 1.00 72.25 O ATOM 1433 CB VAL A 89 -1.356 1.045 16.655 1.00 41.03 C ATOM 1434 CG1 VAL A 89 -1.697 0.265 15.394 1.00 24.43 C ATOM 1435 CG2 VAL A 89 -1.307 0.125 17.865 1.00 72.41 C ATOM 0 H VAL A 89 -0.958 3.351 17.516 1.00 20.13 H new ATOM 0 HA VAL A 89 0.762 1.241 17.022 1.00 61.34 H new ATOM 0 HB VAL A 89 -2.141 1.783 16.820 1.00 41.03 H new ATOM 0 HG11 VAL A 89 -2.647 -0.252 15.532 1.00 24.43 H new ATOM 0 HG12 VAL A 89 -1.776 0.952 14.552 1.00 24.43 H new ATOM 0 HG13 VAL A 89 -0.912 -0.465 15.194 1.00 24.43 H new ATOM 0 HG21 VAL A 89 -2.262 -0.391 17.969 1.00 72.41 H new ATOM 0 HG22 VAL A 89 -0.511 -0.608 17.733 1.00 72.41 H new ATOM 0 HG23 VAL A 89 -1.113 0.713 18.762 1.00 72.41 H new ATOM 1445 N ASP A 90 -0.008 2.956 14.364 1.00 44.11 N ATOM 1446 CA ASP A 90 0.274 3.139 12.945 1.00 44.31 C ATOM 1447 C ASP A 90 1.668 2.627 12.597 1.00 25.32 C ATOM 1448 O ASP A 90 1.832 1.814 11.688 1.00 75.40 O ATOM 1449 CB ASP A 90 0.151 4.616 12.565 1.00 31.31 C ATOM 1450 CG ASP A 90 -0.220 4.810 11.108 1.00 35.50 C ATOM 1451 OD1 ASP A 90 -1.190 4.168 10.653 1.00 12.10 O ATOM 1452 OD2 ASP A 90 0.459 5.602 10.422 1.00 3.15 O ATOM 0 H ASP A 90 -0.483 3.744 14.804 1.00 44.11 H new ATOM 0 HA ASP A 90 -0.457 2.563 12.378 1.00 44.31 H new ATOM 0 HB2 ASP A 90 -0.603 5.089 13.195 1.00 31.31 H new ATOM 0 HB3 ASP A 90 1.096 5.120 12.766 1.00 31.31 H new ATOM 1457 N GLN A 91 2.670 3.109 13.326 1.00 34.25 N ATOM 1458 CA GLN A 91 4.050 2.700 13.093 1.00 13.22 C ATOM 1459 C GLN A 91 4.327 1.336 13.717 1.00 14.54 C ATOM 1460 O GLN A 91 4.689 0.386 13.023 1.00 73.13 O ATOM 1461 CB GLN A 91 5.015 3.741 13.663 1.00 22.34 C ATOM 1462 CG GLN A 91 6.051 4.224 12.661 1.00 73.32 C ATOM 1463 CD GLN A 91 5.989 5.721 12.434 1.00 4.30 C ATOM 1464 OE1 GLN A 91 6.183 6.510 13.360 1.00 21.51 O ATOM 1465 NE2 GLN A 91 5.719 6.123 11.197 1.00 31.54 N ATOM 0 H GLN A 91 2.552 3.783 14.083 1.00 34.25 H new ATOM 0 HA GLN A 91 4.203 2.624 12.017 1.00 13.22 H new ATOM 0 HB2 GLN A 91 4.443 4.596 14.022 1.00 22.34 H new ATOM 0 HB3 GLN A 91 5.527 3.315 14.526 1.00 22.34 H new ATOM 0 HG2 GLN A 91 7.046 3.955 13.015 1.00 73.32 H new ATOM 0 HG3 GLN A 91 5.900 3.710 11.712 1.00 73.32 H new ATOM 0 HE21 GLN A 91 5.565 5.435 10.459 1.00 31.54 H new ATOM 0 HE22 GLN A 91 5.666 7.119 10.985 1.00 31.54 H new ATOM 1474 N LEU A 92 4.154 1.247 15.032 1.00 44.04 N ATOM 1475 CA LEU A 92 4.386 -0.001 15.750 1.00 20.14 C ATOM 1476 C LEU A 92 3.995 -1.202 14.896 1.00 74.42 C ATOM 1477 O LEU A 92 4.784 -2.129 14.711 1.00 14.10 O ATOM 1478 CB LEU A 92 3.595 -0.013 17.060 1.00 42.23 C ATOM 1479 CG LEU A 92 3.500 -1.361 17.774 1.00 20.33 C ATOM 1480 CD1 LEU A 92 2.394 -2.210 17.167 1.00 62.52 C ATOM 1481 CD2 LEU A 92 4.833 -2.093 17.712 1.00 74.45 C ATOM 0 H LEU A 92 3.854 2.024 15.621 1.00 44.04 H new ATOM 0 HA LEU A 92 5.450 -0.070 15.974 1.00 20.14 H new ATOM 0 HB2 LEU A 92 4.049 0.706 17.742 1.00 42.23 H new ATOM 0 HB3 LEU A 92 2.584 0.338 16.854 1.00 42.23 H new ATOM 0 HG LEU A 92 3.257 -1.179 18.821 1.00 20.33 H new ATOM 0 HD11 LEU A 92 2.341 -3.166 17.688 1.00 62.52 H new ATOM 0 HD12 LEU A 92 1.441 -1.690 17.265 1.00 62.52 H new ATOM 0 HD13 LEU A 92 2.606 -2.383 16.112 1.00 62.52 H new ATOM 0 HD21 LEU A 92 4.746 -3.051 18.225 1.00 74.45 H new ATOM 0 HD22 LEU A 92 5.107 -2.263 16.671 1.00 74.45 H new ATOM 0 HD23 LEU A 92 5.602 -1.490 18.195 1.00 74.45 H new ATOM 1493 N SER A 93 2.772 -1.178 14.375 1.00 32.41 N ATOM 1494 CA SER A 93 2.275 -2.266 13.541 1.00 72.31 C ATOM 1495 C SER A 93 3.105 -2.398 12.268 1.00 43.42 C ATOM 1496 O SER A 93 3.506 -3.497 11.885 1.00 72.33 O ATOM 1497 CB SER A 93 0.806 -2.033 13.183 1.00 13.42 C ATOM 1498 OG SER A 93 0.021 -3.175 13.478 1.00 21.21 O ATOM 0 H SER A 93 2.107 -0.417 14.516 1.00 32.41 H new ATOM 0 HA SER A 93 2.361 -3.193 14.108 1.00 72.31 H new ATOM 0 HB2 SER A 93 0.426 -1.174 13.736 1.00 13.42 H new ATOM 0 HB3 SER A 93 0.721 -1.793 12.123 1.00 13.42 H new ATOM 0 HG SER A 93 -0.914 -2.999 13.242 1.00 21.21 H new ATOM 1504 N HIS A 94 3.360 -1.268 11.616 1.00 43.41 N ATOM 1505 CA HIS A 94 4.144 -1.255 10.386 1.00 53.14 C ATOM 1506 C HIS A 94 5.616 -1.533 10.676 1.00 75.02 C ATOM 1507 O HIS A 94 6.437 -1.597 9.761 1.00 71.43 O ATOM 1508 CB HIS A 94 3.997 0.092 9.677 1.00 63.13 C ATOM 1509 CG HIS A 94 3.728 -0.030 8.208 1.00 24.24 C ATOM 1510 ND1 HIS A 94 2.697 -0.786 7.692 1.00 31.05 N ATOM 1511 CD2 HIS A 94 4.363 0.514 7.144 1.00 52.41 C ATOM 1512 CE1 HIS A 94 2.709 -0.702 6.374 1.00 25.51 C ATOM 1513 NE2 HIS A 94 3.711 0.081 6.016 1.00 55.22 N ATOM 0 H HIS A 94 3.035 -0.350 11.919 1.00 43.41 H new ATOM 0 HA HIS A 94 3.766 -2.043 9.735 1.00 53.14 H new ATOM 0 HB2 HIS A 94 3.185 0.651 10.142 1.00 63.13 H new ATOM 0 HB3 HIS A 94 4.908 0.672 9.824 1.00 63.13 H new ATOM 0 HD2 HIS A 94 5.223 1.167 7.176 1.00 52.41 H new ATOM 0 HE1 HIS A 94 2.018 -1.190 5.703 1.00 25.51 H new ATOM 0 HE2 HIS A 94 3.960 0.324 5.057 1.00 55.22 H new ATOM 1521 N ILE A 95 5.941 -1.696 11.954 1.00 60.13 N ATOM 1522 CA ILE A 95 7.313 -1.967 12.363 1.00 23.33 C ATOM 1523 C ILE A 95 7.478 -3.417 12.807 1.00 43.02 C ATOM 1524 O ILE A 95 8.559 -3.995 12.685 1.00 1.11 O ATOM 1525 CB ILE A 95 7.753 -1.038 13.510 1.00 34.23 C ATOM 1526 CG1 ILE A 95 7.776 0.417 13.037 1.00 60.41 C ATOM 1527 CG2 ILE A 95 9.120 -1.453 14.034 1.00 53.33 C ATOM 1528 CD1 ILE A 95 7.877 1.418 14.166 1.00 23.11 C ATOM 0 H ILE A 95 5.273 -1.645 12.723 1.00 60.13 H new ATOM 0 HA ILE A 95 7.944 -1.781 11.494 1.00 23.33 H new ATOM 0 HB ILE A 95 7.033 -1.124 14.324 1.00 34.23 H new ATOM 0 HG12 ILE A 95 8.620 0.558 12.361 1.00 60.41 H new ATOM 0 HG13 ILE A 95 6.871 0.618 12.464 1.00 60.41 H new ATOM 0 HG21 ILE A 95 9.417 -0.787 14.844 1.00 53.33 H new ATOM 0 HG22 ILE A 95 9.072 -2.477 14.405 1.00 53.33 H new ATOM 0 HG23 ILE A 95 9.852 -1.393 13.229 1.00 53.33 H new ATOM 0 HD11 ILE A 95 7.888 2.428 13.757 1.00 23.11 H new ATOM 0 HD12 ILE A 95 7.020 1.305 14.830 1.00 23.11 H new ATOM 0 HD13 ILE A 95 8.796 1.243 14.726 1.00 23.11 H new