USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 ASN : amide:sc= 3.39 K(o=4.5,f=-2.8!) USER MOD Set 1.2: A 90 THR OG1 : rot -8:sc= 1.07 USER MOD Set 2.1: A 14 MET CE :methyl -159:sc= -1.01 (180deg=-2.81!) USER MOD Set 2.2: A 41 CYS SG : rot 81:sc= 2.53 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -150:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.042 USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 1.16 (180deg=1.14) USER MOD Single : A 25 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.15) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0171) USER MOD Single : A 43 ASN : amide:sc= 0.62 K(o=0.62,f=-8.2!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.124 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -102:sc= 0.0702 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= -0.112 (180deg=-0.415) USER MOD Single : A 59 LYS NZ :NH3+ 159:sc= 0.0656 (180deg=-0.28) USER MOD Single : A 61 ASN : amide:sc= 0.842 K(o=0.84,f=-2.4) USER MOD Single : A 62 THR OG1 : rot -42:sc= 0.00202 USER MOD Single : A 63 SER OG : rot 4:sc= 0.644 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 61:sc= -0.0928 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.0576 K(o=0.058,f=-1.4) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN :FLIP amide:sc= 0.0183 F(o=-1.1,f=0.018) USER MOD Single : A 93 SER OG : rot 180:sc= 0.0341 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -150:sc= -1.48 USER MOD Single : A 99 CYS SG : rot -10:sc= 0.0367 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0.688 K(o=0.69,f=-0.55) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.0722 X(o=-0.072,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 164 N MET A 14 -3.706 13.030 -2.476 1.00 33.11 N ATOM 165 CA MET A 14 -2.715 12.642 -1.468 1.00 12.12 C ATOM 166 C MET A 14 -1.343 12.371 -2.077 1.00 34.12 C ATOM 167 O MET A 14 -1.212 11.841 -3.177 1.00 41.05 O ATOM 168 CB MET A 14 -3.186 11.462 -0.597 1.00 21.21 C ATOM 169 CG MET A 14 -3.828 10.324 -1.368 1.00 52.24 C ATOM 170 SD MET A 14 -4.639 9.051 -0.348 1.00 45.13 S ATOM 171 CE MET A 14 -3.547 8.972 1.090 1.00 12.02 C ATOM 0 HA MET A 14 -2.611 13.502 -0.807 1.00 12.12 H new ATOM 0 HB2 MET A 14 -2.331 11.072 -0.044 1.00 21.21 H new ATOM 0 HB3 MET A 14 -3.900 11.833 0.139 1.00 21.21 H new ATOM 0 HG2 MET A 14 -4.566 10.742 -2.052 1.00 52.24 H new ATOM 0 HG3 MET A 14 -3.063 9.844 -1.978 1.00 52.24 H new ATOM 0 HE1 MET A 14 -3.686 8.019 1.601 1.00 12.02 H new ATOM 0 HE2 MET A 14 -2.510 9.062 0.765 1.00 12.02 H new ATOM 0 HE3 MET A 14 -3.785 9.788 1.773 1.00 12.02 H new ATOM 181 N LYS A 15 -0.309 12.726 -1.317 1.00 14.10 N ATOM 182 CA LYS A 15 1.097 12.657 -1.677 1.00 70.33 C ATOM 183 C LYS A 15 1.907 12.056 -0.545 1.00 23.24 C ATOM 184 O LYS A 15 1.605 12.236 0.639 1.00 32.35 O ATOM 185 CB LYS A 15 1.597 14.074 -1.974 1.00 4.22 C ATOM 186 CG LYS A 15 1.228 14.425 -3.415 1.00 34.52 C ATOM 187 CD LYS A 15 1.553 15.875 -3.740 1.00 10.21 C ATOM 188 CE LYS A 15 0.551 16.807 -3.052 1.00 52.45 C ATOM 189 NZ LYS A 15 0.751 18.194 -3.494 1.00 72.41 N ATOM 0 H LYS A 15 -0.444 13.092 -0.375 1.00 14.10 H new ATOM 0 HA LYS A 15 1.215 12.024 -2.556 1.00 70.33 H new ATOM 0 HB2 LYS A 15 1.147 14.787 -1.283 1.00 4.22 H new ATOM 0 HB3 LYS A 15 2.676 14.132 -1.834 1.00 4.22 H new ATOM 0 HG2 LYS A 15 1.766 13.769 -4.099 1.00 34.52 H new ATOM 0 HG3 LYS A 15 0.164 14.246 -3.573 1.00 34.52 H new ATOM 0 HD2 LYS A 15 2.565 16.111 -3.412 1.00 10.21 H new ATOM 0 HD3 LYS A 15 1.523 16.029 -4.819 1.00 10.21 H new ATOM 0 HE2 LYS A 15 -0.466 16.489 -3.281 1.00 52.45 H new ATOM 0 HE3 LYS A 15 0.669 16.743 -1.970 1.00 52.45 H new ATOM 0 HZ1 LYS A 15 0.064 18.813 -3.018 1.00 72.41 H new ATOM 0 HZ2 LYS A 15 1.716 18.499 -3.254 1.00 72.41 H new ATOM 0 HZ3 LYS A 15 0.615 18.253 -4.523 1.00 72.41 H new ATOM 203 N TRP A 16 2.995 11.399 -0.918 1.00 13.02 N ATOM 204 CA TRP A 16 3.794 10.578 -0.037 1.00 64.43 C ATOM 205 C TRP A 16 5.225 11.055 -0.223 1.00 50.33 C ATOM 206 O TRP A 16 5.719 11.072 -1.349 1.00 32.14 O ATOM 207 CB TRP A 16 3.633 9.119 -0.466 1.00 2.45 C ATOM 208 CG TRP A 16 2.222 8.647 -0.519 1.00 74.11 C ATOM 209 CD1 TRP A 16 1.386 8.830 -1.562 1.00 14.02 C ATOM 210 CD2 TRP A 16 1.473 7.895 0.468 1.00 33.23 C ATOM 211 NE1 TRP A 16 0.139 8.330 -1.258 1.00 13.34 N ATOM 212 CE2 TRP A 16 0.154 7.687 -0.035 1.00 71.32 C ATOM 213 CE3 TRP A 16 1.784 7.367 1.739 1.00 65.20 C ATOM 214 CZ2 TRP A 16 -0.806 6.976 0.696 1.00 74.11 C ATOM 215 CZ3 TRP A 16 0.832 6.644 2.475 1.00 21.41 C ATOM 216 CH2 TRP A 16 -0.457 6.441 1.953 1.00 51.24 C ATOM 0 H TRP A 16 3.353 11.427 -1.873 1.00 13.02 H new ATOM 0 HA TRP A 16 3.501 10.653 1.010 1.00 64.43 H new ATOM 0 HB2 TRP A 16 4.084 8.990 -1.450 1.00 2.45 H new ATOM 0 HB3 TRP A 16 4.190 8.486 0.225 1.00 2.45 H new ATOM 0 HD1 TRP A 16 1.655 9.299 -2.497 1.00 14.02 H new ATOM 0 HE1 TRP A 16 -0.683 8.422 -1.854 1.00 13.34 H new ATOM 0 HE3 TRP A 16 2.770 7.522 2.152 1.00 65.20 H new ATOM 0 HZ2 TRP A 16 -1.802 6.839 0.301 1.00 74.11 H new ATOM 0 HZ3 TRP A 16 1.091 6.243 3.444 1.00 21.41 H new ATOM 0 HH2 TRP A 16 -1.183 5.873 2.517 1.00 51.24 H new ATOM 227 N SER A 17 5.893 11.457 0.853 1.00 21.21 N ATOM 228 CA SER A 17 7.229 12.041 0.759 1.00 51.33 C ATOM 229 C SER A 17 8.363 11.094 1.187 1.00 70.44 C ATOM 230 O SER A 17 9.510 11.539 1.263 1.00 25.22 O ATOM 231 CB SER A 17 7.221 13.387 1.492 1.00 50.13 C ATOM 232 OG SER A 17 6.392 14.308 0.789 1.00 22.12 O ATOM 0 H SER A 17 5.531 11.389 1.804 1.00 21.21 H new ATOM 0 HA SER A 17 7.462 12.216 -0.291 1.00 51.33 H new ATOM 0 HB2 SER A 17 6.855 13.256 2.510 1.00 50.13 H new ATOM 0 HB3 SER A 17 8.236 13.778 1.566 1.00 50.13 H new ATOM 0 HG SER A 17 6.726 15.219 0.926 1.00 22.12 H new ATOM 238 N LYS A 18 8.092 9.800 1.444 1.00 33.22 N ATOM 239 CA LYS A 18 9.134 8.833 1.895 1.00 72.32 C ATOM 240 C LYS A 18 9.157 7.540 1.086 1.00 5.24 C ATOM 241 O LYS A 18 9.642 6.517 1.561 1.00 25.55 O ATOM 242 CB LYS A 18 8.959 8.526 3.386 1.00 62.40 C ATOM 243 CG LYS A 18 9.195 9.812 4.171 1.00 10.13 C ATOM 244 CD LYS A 18 10.626 10.350 4.289 1.00 41.11 C ATOM 245 CE LYS A 18 11.648 9.307 4.748 1.00 63.41 C ATOM 246 NZ LYS A 18 11.512 8.920 6.169 1.00 72.44 N ATOM 0 H LYS A 18 7.162 9.391 1.349 1.00 33.22 H new ATOM 0 HA LYS A 18 10.097 9.315 1.726 1.00 72.32 H new ATOM 0 HB2 LYS A 18 7.958 8.142 3.579 1.00 62.40 H new ATOM 0 HB3 LYS A 18 9.663 7.755 3.700 1.00 62.40 H new ATOM 0 HG2 LYS A 18 8.585 10.593 3.717 1.00 10.13 H new ATOM 0 HG3 LYS A 18 8.816 9.657 5.181 1.00 10.13 H new ATOM 0 HD2 LYS A 18 10.935 10.745 3.321 1.00 41.11 H new ATOM 0 HD3 LYS A 18 10.633 11.184 4.991 1.00 41.11 H new ATOM 0 HE2 LYS A 18 11.547 8.416 4.128 1.00 63.41 H new ATOM 0 HE3 LYS A 18 12.652 9.699 4.583 1.00 63.41 H new ATOM 0 HZ1 LYS A 18 12.236 8.212 6.407 1.00 72.44 H new ATOM 0 HZ2 LYS A 18 11.637 9.759 6.771 1.00 72.44 H new ATOM 0 HZ3 LYS A 18 10.567 8.516 6.330 1.00 72.44 H new ATOM 260 N VAL A 19 8.653 7.617 -0.126 1.00 44.30 N ATOM 261 CA VAL A 19 8.282 6.433 -0.926 1.00 70.43 C ATOM 262 C VAL A 19 9.491 5.524 -1.269 1.00 12.22 C ATOM 263 O VAL A 19 10.602 6.033 -1.437 1.00 33.45 O ATOM 264 CB VAL A 19 7.522 6.840 -2.210 1.00 45.40 C ATOM 265 CG1 VAL A 19 6.303 7.696 -1.866 1.00 4.32 C ATOM 266 CG2 VAL A 19 8.414 7.591 -3.204 1.00 65.14 C ATOM 0 H VAL A 19 8.481 8.502 -0.603 1.00 44.30 H new ATOM 0 HA VAL A 19 7.616 5.842 -0.297 1.00 70.43 H new ATOM 0 HB VAL A 19 7.198 5.915 -2.688 1.00 45.40 H new ATOM 0 HG11 VAL A 19 5.782 7.972 -2.783 1.00 4.32 H new ATOM 0 HG12 VAL A 19 5.630 7.129 -1.223 1.00 4.32 H new ATOM 0 HG13 VAL A 19 6.627 8.598 -1.347 1.00 4.32 H new ATOM 0 HG21 VAL A 19 7.833 7.854 -4.088 1.00 65.14 H new ATOM 0 HG22 VAL A 19 8.795 8.499 -2.737 1.00 65.14 H new ATOM 0 HG23 VAL A 19 9.250 6.955 -3.496 1.00 65.14 H new ATOM 276 N PRO A 20 9.306 4.196 -1.395 1.00 13.14 N ATOM 277 CA PRO A 20 10.343 3.227 -1.759 1.00 11.22 C ATOM 278 C PRO A 20 10.816 3.378 -3.208 1.00 51.03 C ATOM 279 O PRO A 20 10.110 3.917 -4.060 1.00 53.01 O ATOM 280 CB PRO A 20 9.717 1.838 -1.561 1.00 21.21 C ATOM 281 CG PRO A 20 8.221 2.074 -1.574 1.00 13.44 C ATOM 282 CD PRO A 20 8.051 3.521 -1.148 1.00 33.13 C ATOM 0 HA PRO A 20 11.224 3.385 -1.137 1.00 11.22 H new ATOM 0 HB2 PRO A 20 10.015 1.154 -2.356 1.00 21.21 H new ATOM 0 HB3 PRO A 20 10.038 1.392 -0.620 1.00 21.21 H new ATOM 0 HG2 PRO A 20 7.802 1.902 -2.566 1.00 13.44 H new ATOM 0 HG3 PRO A 20 7.708 1.398 -0.890 1.00 13.44 H new ATOM 0 HD2 PRO A 20 7.244 3.994 -1.708 1.00 33.13 H new ATOM 0 HD3 PRO A 20 7.784 3.581 -0.093 1.00 33.13 H new ATOM 290 N SER A 21 11.983 2.805 -3.512 1.00 3.44 N ATOM 291 CA SER A 21 12.586 2.831 -4.842 1.00 4.13 C ATOM 292 C SER A 21 11.754 2.060 -5.874 1.00 30.45 C ATOM 293 O SER A 21 11.755 2.419 -7.054 1.00 51.30 O ATOM 294 CB SER A 21 13.994 2.220 -4.782 1.00 53.42 C ATOM 295 OG SER A 21 14.635 2.500 -3.544 1.00 43.14 O ATOM 0 H SER A 21 12.544 2.301 -2.826 1.00 3.44 H new ATOM 0 HA SER A 21 12.630 3.874 -5.156 1.00 4.13 H new ATOM 0 HB2 SER A 21 13.929 1.141 -4.923 1.00 53.42 H new ATOM 0 HB3 SER A 21 14.597 2.613 -5.601 1.00 53.42 H new ATOM 0 HG SER A 21 15.528 2.095 -3.539 1.00 43.14 H new ATOM 301 N GLY A 22 11.061 0.992 -5.462 1.00 64.41 N ATOM 302 CA GLY A 22 10.270 0.149 -6.353 1.00 44.13 C ATOM 303 C GLY A 22 9.087 0.885 -6.976 1.00 14.32 C ATOM 304 O GLY A 22 8.598 0.467 -8.018 1.00 62.10 O ATOM 0 H GLY A 22 11.036 0.689 -4.488 1.00 64.41 H new ATOM 0 HA2 GLY A 22 10.912 -0.234 -7.147 1.00 44.13 H new ATOM 0 HA3 GLY A 22 9.902 -0.713 -5.797 1.00 44.13 H new ATOM 308 N LEU A 23 8.644 1.987 -6.364 1.00 51.00 N ATOM 309 CA LEU A 23 7.584 2.863 -6.862 1.00 33.14 C ATOM 310 C LEU A 23 7.913 3.413 -8.251 1.00 23.22 C ATOM 311 O LEU A 23 8.736 4.322 -8.388 1.00 71.50 O ATOM 312 CB LEU A 23 7.310 3.988 -5.851 1.00 13.41 C ATOM 313 CG LEU A 23 6.107 4.872 -6.275 1.00 44.21 C ATOM 314 CD1 LEU A 23 4.956 4.767 -5.275 1.00 25.12 C ATOM 315 CD2 LEU A 23 6.528 6.337 -6.404 1.00 42.12 C ATOM 0 H LEU A 23 9.030 2.304 -5.474 1.00 51.00 H new ATOM 0 HA LEU A 23 6.673 2.274 -6.970 1.00 33.14 H new ATOM 0 HB2 LEU A 23 7.113 3.554 -4.871 1.00 13.41 H new ATOM 0 HB3 LEU A 23 8.199 4.610 -5.751 1.00 13.41 H new ATOM 0 HG LEU A 23 5.766 4.505 -7.243 1.00 44.21 H new ATOM 0 HD11 LEU A 23 4.130 5.399 -5.603 1.00 25.12 H new ATOM 0 HD12 LEU A 23 4.619 3.732 -5.215 1.00 25.12 H new ATOM 0 HD13 LEU A 23 5.296 5.095 -4.293 1.00 25.12 H new ATOM 0 HD21 LEU A 23 5.669 6.938 -6.702 1.00 42.12 H new ATOM 0 HD22 LEU A 23 6.905 6.693 -5.445 1.00 42.12 H new ATOM 0 HD23 LEU A 23 7.311 6.426 -7.157 1.00 42.12 H new ATOM 327 N LYS A 24 7.252 2.884 -9.282 1.00 14.32 N ATOM 328 CA LYS A 24 7.328 3.318 -10.675 1.00 70.54 C ATOM 329 C LYS A 24 5.927 3.740 -11.094 1.00 2.11 C ATOM 330 O LYS A 24 5.078 2.896 -11.392 1.00 30.42 O ATOM 331 CB LYS A 24 7.847 2.186 -11.579 1.00 3.44 C ATOM 332 CG LYS A 24 9.377 2.119 -11.724 1.00 1.44 C ATOM 333 CD LYS A 24 10.144 1.656 -10.483 1.00 22.43 C ATOM 334 CE LYS A 24 11.648 1.812 -10.711 1.00 22.14 C ATOM 335 NZ LYS A 24 12.435 1.309 -9.568 1.00 65.22 N ATOM 0 H LYS A 24 6.614 2.098 -9.159 1.00 14.32 H new ATOM 0 HA LYS A 24 8.027 4.149 -10.775 1.00 70.54 H new ATOM 0 HB2 LYS A 24 7.493 1.234 -11.183 1.00 3.44 H new ATOM 0 HB3 LYS A 24 7.408 2.303 -12.570 1.00 3.44 H new ATOM 0 HG2 LYS A 24 9.616 1.446 -12.548 1.00 1.44 H new ATOM 0 HG3 LYS A 24 9.740 3.108 -12.005 1.00 1.44 H new ATOM 0 HD2 LYS A 24 9.836 2.241 -9.616 1.00 22.43 H new ATOM 0 HD3 LYS A 24 9.907 0.615 -10.266 1.00 22.43 H new ATOM 0 HE2 LYS A 24 11.936 1.274 -11.614 1.00 22.14 H new ATOM 0 HE3 LYS A 24 11.882 2.863 -10.878 1.00 22.14 H new ATOM 0 HZ1 LYS A 24 13.443 1.510 -9.725 1.00 65.22 H new ATOM 0 HZ2 LYS A 24 12.120 1.780 -8.696 1.00 65.22 H new ATOM 0 HZ3 LYS A 24 12.297 0.282 -9.476 1.00 65.22 H new ATOM 349 N ASN A 25 5.664 5.048 -11.068 1.00 50.31 N ATOM 350 CA ASN A 25 4.408 5.667 -11.505 1.00 45.21 C ATOM 351 C ASN A 25 3.166 5.145 -10.764 1.00 53.21 C ATOM 352 O ASN A 25 2.046 5.297 -11.250 1.00 25.55 O ATOM 353 CB ASN A 25 4.289 5.577 -13.034 1.00 52.44 C ATOM 354 CG ASN A 25 3.278 6.568 -13.616 1.00 3.34 C ATOM 355 OD1 ASN A 25 2.334 6.174 -14.288 1.00 34.43 O ATOM 356 ND2 ASN A 25 3.451 7.867 -13.433 1.00 42.41 N ATOM 0 H ASN A 25 6.343 5.731 -10.730 1.00 50.31 H new ATOM 0 HA ASN A 25 4.445 6.721 -11.228 1.00 45.21 H new ATOM 0 HB2 ASN A 25 5.267 5.760 -13.480 1.00 52.44 H new ATOM 0 HB3 ASN A 25 3.997 4.564 -13.311 1.00 52.44 H new ATOM 0 HD21 ASN A 25 2.800 8.532 -13.851 1.00 42.41 H new ATOM 0 HD22 ASN A 25 4.235 8.203 -12.874 1.00 42.41 H new ATOM 363 N GLY A 26 3.345 4.545 -9.584 1.00 34.44 N ATOM 364 CA GLY A 26 2.269 4.014 -8.757 1.00 33.53 C ATOM 365 C GLY A 26 2.143 2.495 -8.824 1.00 14.02 C ATOM 366 O GLY A 26 1.290 1.944 -8.135 1.00 11.32 O ATOM 0 H GLY A 26 4.268 4.414 -9.171 1.00 34.44 H new ATOM 0 HA2 GLY A 26 2.436 4.311 -7.722 1.00 33.53 H new ATOM 0 HA3 GLY A 26 1.326 4.463 -9.069 1.00 33.53 H new ATOM 370 N GLU A 27 2.961 1.779 -9.596 1.00 11.31 N ATOM 371 CA GLU A 27 3.090 0.329 -9.476 1.00 72.30 C ATOM 372 C GLU A 27 4.420 0.033 -8.786 1.00 3.33 C ATOM 373 O GLU A 27 5.377 0.794 -8.942 1.00 52.10 O ATOM 374 CB GLU A 27 3.026 -0.317 -10.866 1.00 24.31 C ATOM 375 CG GLU A 27 2.767 -1.831 -10.772 1.00 2.22 C ATOM 376 CD GLU A 27 3.577 -2.670 -11.751 1.00 62.10 C ATOM 377 OE1 GLU A 27 4.757 -2.356 -12.028 1.00 53.03 O ATOM 378 OE2 GLU A 27 3.010 -3.664 -12.248 1.00 21.41 O ATOM 0 H GLU A 27 3.551 2.188 -10.320 1.00 11.31 H new ATOM 0 HA GLU A 27 2.274 -0.087 -8.885 1.00 72.30 H new ATOM 0 HB2 GLU A 27 2.235 0.153 -11.451 1.00 24.31 H new ATOM 0 HB3 GLU A 27 3.962 -0.139 -11.395 1.00 24.31 H new ATOM 0 HG2 GLU A 27 2.989 -2.163 -9.758 1.00 2.22 H new ATOM 0 HG3 GLU A 27 1.707 -2.017 -10.943 1.00 2.22 H new ATOM 385 N LEU A 28 4.511 -1.075 -8.054 1.00 24.14 N ATOM 386 CA LEU A 28 5.714 -1.527 -7.376 1.00 73.41 C ATOM 387 C LEU A 28 5.905 -2.993 -7.726 1.00 24.52 C ATOM 388 O LEU A 28 4.933 -3.752 -7.822 1.00 10.34 O ATOM 389 CB LEU A 28 5.563 -1.380 -5.850 1.00 61.42 C ATOM 390 CG LEU A 28 5.710 0.056 -5.325 1.00 43.04 C ATOM 391 CD1 LEU A 28 4.493 0.959 -5.634 1.00 63.52 C ATOM 392 CD2 LEU A 28 6.011 0.059 -3.822 1.00 65.43 C ATOM 0 H LEU A 28 3.719 -1.702 -7.914 1.00 24.14 H new ATOM 0 HA LEU A 28 6.570 -0.930 -7.690 1.00 73.41 H new ATOM 0 HB2 LEU A 28 4.585 -1.761 -5.557 1.00 61.42 H new ATOM 0 HB3 LEU A 28 6.309 -2.008 -5.363 1.00 61.42 H new ATOM 0 HG LEU A 28 6.554 0.485 -5.865 1.00 43.04 H new ATOM 0 HD11 LEU A 28 4.669 1.957 -5.233 1.00 63.52 H new ATOM 0 HD12 LEU A 28 4.351 1.021 -6.713 1.00 63.52 H new ATOM 0 HD13 LEU A 28 3.600 0.536 -5.174 1.00 63.52 H new ATOM 0 HD21 LEU A 28 6.111 1.087 -3.473 1.00 65.43 H new ATOM 0 HD22 LEU A 28 5.196 -0.428 -3.287 1.00 65.43 H new ATOM 0 HD23 LEU A 28 6.940 -0.479 -3.636 1.00 65.43 H new ATOM 404 N LYS A 29 7.155 -3.443 -7.793 1.00 61.32 N ATOM 405 CA LYS A 29 7.490 -4.826 -8.128 1.00 23.44 C ATOM 406 C LYS A 29 8.515 -5.400 -7.158 1.00 21.41 C ATOM 407 O LYS A 29 9.306 -4.644 -6.597 1.00 44.12 O ATOM 408 CB LYS A 29 8.006 -4.800 -9.564 1.00 22.54 C ATOM 409 CG LYS A 29 7.880 -6.147 -10.278 1.00 61.14 C ATOM 410 CD LYS A 29 6.975 -5.931 -11.490 1.00 5.02 C ATOM 411 CE LYS A 29 6.841 -7.238 -12.274 1.00 44.30 C ATOM 412 NZ LYS A 29 5.897 -7.114 -13.399 1.00 51.00 N ATOM 0 H LYS A 29 7.970 -2.856 -7.615 1.00 61.32 H new ATOM 0 HA LYS A 29 6.621 -5.478 -8.044 1.00 23.44 H new ATOM 0 HB2 LYS A 29 7.456 -4.046 -10.127 1.00 22.54 H new ATOM 0 HB3 LYS A 29 9.052 -4.495 -9.561 1.00 22.54 H new ATOM 0 HG2 LYS A 29 8.859 -6.511 -10.589 1.00 61.14 H new ATOM 0 HG3 LYS A 29 7.457 -6.898 -9.611 1.00 61.14 H new ATOM 0 HD2 LYS A 29 5.993 -5.588 -11.166 1.00 5.02 H new ATOM 0 HD3 LYS A 29 7.389 -5.152 -12.131 1.00 5.02 H new ATOM 0 HE2 LYS A 29 7.819 -7.535 -12.653 1.00 44.30 H new ATOM 0 HE3 LYS A 29 6.505 -8.029 -11.604 1.00 44.30 H new ATOM 0 HZ1 LYS A 29 5.836 -8.022 -13.903 1.00 51.00 H new ATOM 0 HZ2 LYS A 29 4.957 -6.856 -13.037 1.00 51.00 H new ATOM 0 HZ3 LYS A 29 6.231 -6.377 -14.052 1.00 51.00 H new ATOM 426 N VAL A 30 8.514 -6.716 -6.959 1.00 70.52 N ATOM 427 CA VAL A 30 9.412 -7.418 -6.047 1.00 64.54 C ATOM 428 C VAL A 30 9.856 -8.693 -6.746 1.00 65.51 C ATOM 429 O VAL A 30 9.206 -9.176 -7.676 1.00 31.31 O ATOM 430 CB VAL A 30 8.692 -7.704 -4.712 1.00 11.31 C ATOM 431 CG1 VAL A 30 9.558 -8.333 -3.612 1.00 13.35 C ATOM 432 CG2 VAL A 30 8.210 -6.407 -4.042 1.00 3.32 C ATOM 0 H VAL A 30 7.869 -7.341 -7.442 1.00 70.52 H new ATOM 0 HA VAL A 30 10.287 -6.816 -5.804 1.00 64.54 H new ATOM 0 HB VAL A 30 7.902 -8.386 -5.029 1.00 11.31 H new ATOM 0 HG11 VAL A 30 8.953 -8.491 -2.719 1.00 13.35 H new ATOM 0 HG12 VAL A 30 9.949 -9.289 -3.959 1.00 13.35 H new ATOM 0 HG13 VAL A 30 10.387 -7.666 -3.376 1.00 13.35 H new ATOM 0 HG21 VAL A 30 7.708 -6.647 -3.105 1.00 3.32 H new ATOM 0 HG22 VAL A 30 9.065 -5.762 -3.841 1.00 3.32 H new ATOM 0 HG23 VAL A 30 7.515 -5.892 -4.705 1.00 3.32 H new ATOM 442 N GLU A 31 10.986 -9.227 -6.299 1.00 14.35 N ATOM 443 CA GLU A 31 11.486 -10.519 -6.734 1.00 25.32 C ATOM 444 C GLU A 31 10.802 -11.631 -5.921 1.00 30.42 C ATOM 445 O GLU A 31 9.972 -11.359 -5.053 1.00 13.04 O ATOM 446 CB GLU A 31 13.014 -10.542 -6.581 1.00 32.24 C ATOM 447 CG GLU A 31 13.435 -10.495 -5.110 1.00 13.13 C ATOM 448 CD GLU A 31 14.906 -10.148 -4.914 1.00 11.34 C ATOM 449 OE1 GLU A 31 15.785 -10.761 -5.551 1.00 42.42 O ATOM 450 OE2 GLU A 31 15.181 -9.232 -4.099 1.00 53.12 O ATOM 0 H GLU A 31 11.587 -8.766 -5.615 1.00 14.35 H new ATOM 0 HA GLU A 31 11.253 -10.691 -7.785 1.00 25.32 H new ATOM 0 HB2 GLU A 31 13.413 -11.444 -7.045 1.00 32.24 H new ATOM 0 HB3 GLU A 31 13.446 -9.693 -7.111 1.00 32.24 H new ATOM 0 HG2 GLU A 31 12.823 -9.760 -4.588 1.00 13.13 H new ATOM 0 HG3 GLU A 31 13.233 -11.463 -4.650 1.00 13.13 H new ATOM 457 N ALA A 32 11.181 -12.891 -6.124 1.00 32.45 N ATOM 458 CA ALA A 32 10.637 -14.017 -5.379 1.00 11.22 C ATOM 459 C ALA A 32 11.026 -14.068 -3.887 1.00 40.34 C ATOM 460 O ALA A 32 10.799 -15.104 -3.275 1.00 40.02 O ATOM 461 CB ALA A 32 11.089 -15.288 -6.091 1.00 75.42 C ATOM 0 H ALA A 32 11.880 -13.158 -6.817 1.00 32.45 H new ATOM 0 HA ALA A 32 9.553 -13.908 -5.366 1.00 11.22 H new ATOM 0 HB1 ALA A 32 10.701 -16.159 -5.562 1.00 75.42 H new ATOM 0 HB2 ALA A 32 10.711 -15.286 -7.113 1.00 75.42 H new ATOM 0 HB3 ALA A 32 12.178 -15.329 -6.107 1.00 75.42 H new ATOM 467 N GLU A 33 11.620 -13.030 -3.292 1.00 20.25 N ATOM 468 CA GLU A 33 12.262 -13.083 -1.967 1.00 55.30 C ATOM 469 C GLU A 33 11.580 -12.155 -0.965 1.00 75.50 C ATOM 470 O GLU A 33 11.501 -12.486 0.210 1.00 1.14 O ATOM 471 CB GLU A 33 13.739 -12.707 -2.079 1.00 74.52 C ATOM 472 CG GLU A 33 14.532 -13.618 -3.026 1.00 52.00 C ATOM 473 CD GLU A 33 15.528 -14.485 -2.259 1.00 35.52 C ATOM 474 OE1 GLU A 33 15.131 -15.559 -1.737 1.00 60.11 O ATOM 475 OE2 GLU A 33 16.698 -14.069 -2.140 1.00 3.41 O ATOM 0 H GLU A 33 11.671 -12.107 -3.724 1.00 20.25 H new ATOM 0 HA GLU A 33 12.165 -14.106 -1.603 1.00 55.30 H new ATOM 0 HB2 GLU A 33 13.818 -11.677 -2.427 1.00 74.52 H new ATOM 0 HB3 GLU A 33 14.191 -12.744 -1.088 1.00 74.52 H new ATOM 0 HG2 GLU A 33 13.844 -14.256 -3.581 1.00 52.00 H new ATOM 0 HG3 GLU A 33 15.064 -13.010 -3.758 1.00 52.00 H new ATOM 482 N GLY A 34 11.003 -11.051 -1.431 1.00 52.14 N ATOM 483 CA GLY A 34 10.188 -10.201 -0.572 1.00 13.33 C ATOM 484 C GLY A 34 11.027 -9.130 0.119 1.00 2.42 C ATOM 485 O GLY A 34 12.110 -9.397 0.638 1.00 22.35 O ATOM 0 H GLY A 34 11.085 -10.726 -2.394 1.00 52.14 H new ATOM 0 HA2 GLY A 34 9.407 -9.725 -1.165 1.00 13.33 H new ATOM 0 HA3 GLY A 34 9.689 -10.814 0.179 1.00 13.33 H new ATOM 489 N GLY A 35 10.516 -7.900 0.128 1.00 34.14 N ATOM 490 CA GLY A 35 11.163 -6.750 0.742 1.00 34.54 C ATOM 491 C GLY A 35 10.232 -6.068 1.734 1.00 15.32 C ATOM 492 O GLY A 35 9.077 -6.470 1.902 1.00 63.52 O ATOM 0 H GLY A 35 9.619 -7.674 -0.303 1.00 34.14 H new ATOM 0 HA2 GLY A 35 12.073 -7.068 1.251 1.00 34.54 H new ATOM 0 HA3 GLY A 35 11.461 -6.040 -0.030 1.00 34.54 H new ATOM 496 N SER A 36 10.718 -4.999 2.363 1.00 71.31 N ATOM 497 CA SER A 36 9.908 -4.103 3.172 1.00 24.32 C ATOM 498 C SER A 36 9.780 -2.759 2.456 1.00 42.21 C ATOM 499 O SER A 36 10.556 -2.468 1.538 1.00 43.14 O ATOM 500 CB SER A 36 10.501 -3.994 4.581 1.00 51.14 C ATOM 501 OG SER A 36 11.788 -3.399 4.585 1.00 2.24 O ATOM 0 H SER A 36 11.701 -4.731 2.321 1.00 71.31 H new ATOM 0 HA SER A 36 8.899 -4.495 3.296 1.00 24.32 H new ATOM 0 HB2 SER A 36 9.831 -3.407 5.209 1.00 51.14 H new ATOM 0 HB3 SER A 36 10.563 -4.988 5.023 1.00 51.14 H new ATOM 0 HG SER A 36 12.123 -3.350 5.505 1.00 2.24 H new ATOM 507 N SER A 37 8.812 -1.929 2.844 1.00 0.13 N ATOM 508 CA SER A 37 8.573 -0.656 2.178 1.00 71.34 C ATOM 509 C SER A 37 7.817 0.282 3.109 1.00 33.31 C ATOM 510 O SER A 37 6.700 -0.024 3.529 1.00 3.12 O ATOM 511 CB SER A 37 7.873 -0.849 0.815 1.00 54.41 C ATOM 512 OG SER A 37 7.330 -2.148 0.612 1.00 52.01 O ATOM 0 H SER A 37 8.179 -2.120 3.621 1.00 0.13 H new ATOM 0 HA SER A 37 9.531 -0.189 1.951 1.00 71.34 H new ATOM 0 HB2 SER A 37 7.072 -0.115 0.725 1.00 54.41 H new ATOM 0 HB3 SER A 37 8.588 -0.639 0.020 1.00 54.41 H new ATOM 0 HG SER A 37 6.904 -2.190 -0.270 1.00 52.01 H new ATOM 518 N LEU A 38 8.457 1.399 3.440 1.00 2.34 N ATOM 519 CA LEU A 38 7.915 2.501 4.218 1.00 2.04 C ATOM 520 C LEU A 38 7.467 3.580 3.247 1.00 3.24 C ATOM 521 O LEU A 38 8.220 3.941 2.339 1.00 4.32 O ATOM 522 CB LEU A 38 9.016 3.059 5.139 1.00 52.13 C ATOM 523 CG LEU A 38 8.665 4.401 5.821 1.00 23.51 C ATOM 524 CD1 LEU A 38 7.480 4.300 6.783 1.00 55.31 C ATOM 525 CD2 LEU A 38 9.872 4.910 6.609 1.00 33.13 C ATOM 0 H LEU A 38 9.422 1.566 3.155 1.00 2.34 H new ATOM 0 HA LEU A 38 7.075 2.168 4.828 1.00 2.04 H new ATOM 0 HB2 LEU A 38 9.235 2.321 5.910 1.00 52.13 H new ATOM 0 HB3 LEU A 38 9.927 3.190 4.556 1.00 52.13 H new ATOM 0 HG LEU A 38 8.389 5.086 5.020 1.00 23.51 H new ATOM 0 HD11 LEU A 38 7.287 5.277 7.227 1.00 55.31 H new ATOM 0 HD12 LEU A 38 6.596 3.968 6.238 1.00 55.31 H new ATOM 0 HD13 LEU A 38 7.711 3.583 7.571 1.00 55.31 H new ATOM 0 HD21 LEU A 38 9.621 5.856 7.088 1.00 33.13 H new ATOM 0 HD22 LEU A 38 10.144 4.179 7.370 1.00 33.13 H new ATOM 0 HD23 LEU A 38 10.713 5.059 5.931 1.00 33.13 H new ATOM 537 N PHE A 39 6.298 4.149 3.505 1.00 54.23 N ATOM 538 CA PHE A 39 5.759 5.327 2.857 1.00 32.31 C ATOM 539 C PHE A 39 5.298 6.254 3.980 1.00 52.22 C ATOM 540 O PHE A 39 4.878 5.784 5.038 1.00 54.13 O ATOM 541 CB PHE A 39 4.572 4.945 1.961 1.00 31.41 C ATOM 542 CG PHE A 39 4.733 3.687 1.124 1.00 41.32 C ATOM 543 CD1 PHE A 39 4.572 2.408 1.696 1.00 42.32 C ATOM 544 CD2 PHE A 39 4.989 3.799 -0.251 1.00 25.23 C ATOM 545 CE1 PHE A 39 4.704 1.256 0.905 1.00 50.04 C ATOM 546 CE2 PHE A 39 5.060 2.653 -1.055 1.00 70.10 C ATOM 547 CZ PHE A 39 4.940 1.379 -0.474 1.00 65.34 C ATOM 0 H PHE A 39 5.667 3.776 4.214 1.00 54.23 H new ATOM 0 HA PHE A 39 6.503 5.809 2.223 1.00 32.31 H new ATOM 0 HB2 PHE A 39 3.692 4.824 2.593 1.00 31.41 H new ATOM 0 HB3 PHE A 39 4.370 5.779 1.289 1.00 31.41 H new ATOM 0 HD1 PHE A 39 4.346 2.314 2.748 1.00 42.32 H new ATOM 0 HD2 PHE A 39 5.132 4.774 -0.693 1.00 25.23 H new ATOM 0 HE1 PHE A 39 4.624 0.278 1.356 1.00 50.04 H new ATOM 0 HE2 PHE A 39 5.207 2.749 -2.121 1.00 70.10 H new ATOM 0 HZ PHE A 39 5.029 0.495 -1.088 1.00 65.34 H new ATOM 557 N ALA A 40 5.333 7.566 3.756 1.00 53.24 N ATOM 558 CA ALA A 40 4.880 8.537 4.744 1.00 42.41 C ATOM 559 C ALA A 40 4.070 9.597 4.026 1.00 72.10 C ATOM 560 O ALA A 40 4.577 10.258 3.113 1.00 14.25 O ATOM 561 CB ALA A 40 6.054 9.158 5.496 1.00 23.33 C ATOM 0 H ALA A 40 5.674 7.982 2.889 1.00 53.24 H new ATOM 0 HA ALA A 40 4.262 8.038 5.491 1.00 42.41 H new ATOM 0 HB1 ALA A 40 5.680 9.877 6.225 1.00 23.33 H new ATOM 0 HB2 ALA A 40 6.611 8.375 6.011 1.00 23.33 H new ATOM 0 HB3 ALA A 40 6.711 9.665 4.790 1.00 23.33 H new ATOM 567 N CYS A 41 2.801 9.702 4.392 1.00 34.31 N ATOM 568 CA CYS A 41 1.873 10.638 3.790 1.00 43.12 C ATOM 569 C CYS A 41 2.112 12.006 4.438 1.00 14.33 C ATOM 570 O CYS A 41 1.918 12.178 5.644 1.00 71.24 O ATOM 571 CB CYS A 41 0.450 10.098 3.970 1.00 24.12 C ATOM 572 SG CYS A 41 -0.334 9.877 2.352 1.00 44.03 S ATOM 0 H CYS A 41 2.385 9.130 5.126 1.00 34.31 H new ATOM 0 HA CYS A 41 2.021 10.757 2.717 1.00 43.12 H new ATOM 0 HB2 CYS A 41 0.477 9.148 4.504 1.00 24.12 H new ATOM 0 HB3 CYS A 41 -0.136 10.788 4.577 1.00 24.12 H new ATOM 0 HG CYS A 41 0.061 8.755 1.828 1.00 44.03 H new ATOM 578 N LYS A 42 2.637 12.965 3.672 1.00 5.24 N ATOM 579 CA LYS A 42 2.965 14.290 4.201 1.00 73.22 C ATOM 580 C LYS A 42 1.712 15.139 4.442 1.00 3.44 C ATOM 581 O LYS A 42 1.668 15.886 5.420 1.00 22.52 O ATOM 582 CB LYS A 42 3.946 15.006 3.255 1.00 31.32 C ATOM 583 CG LYS A 42 4.418 16.348 3.846 1.00 33.13 C ATOM 584 CD LYS A 42 5.492 17.012 2.976 1.00 54.02 C ATOM 585 CE LYS A 42 5.965 18.334 3.592 1.00 21.33 C ATOM 586 NZ LYS A 42 4.929 19.388 3.577 1.00 72.20 N ATOM 0 H LYS A 42 2.844 12.848 2.680 1.00 5.24 H new ATOM 0 HA LYS A 42 3.444 14.155 5.171 1.00 73.22 H new ATOM 0 HB2 LYS A 42 4.808 14.365 3.069 1.00 31.32 H new ATOM 0 HB3 LYS A 42 3.465 15.180 2.293 1.00 31.32 H new ATOM 0 HG2 LYS A 42 3.566 17.020 3.946 1.00 33.13 H new ATOM 0 HG3 LYS A 42 4.814 16.184 4.848 1.00 33.13 H new ATOM 0 HD2 LYS A 42 6.340 16.337 2.862 1.00 54.02 H new ATOM 0 HD3 LYS A 42 5.094 17.195 1.978 1.00 54.02 H new ATOM 0 HE2 LYS A 42 6.278 18.156 4.621 1.00 21.33 H new ATOM 0 HE3 LYS A 42 6.841 18.687 3.049 1.00 21.33 H new ATOM 0 HZ1 LYS A 42 5.330 20.275 3.944 1.00 72.20 H new ATOM 0 HZ2 LYS A 42 4.598 19.535 2.602 1.00 72.20 H new ATOM 0 HZ3 LYS A 42 4.129 19.097 4.174 1.00 72.20 H new ATOM 600 N ASN A 43 0.740 15.081 3.535 1.00 12.02 N ATOM 601 CA ASN A 43 -0.396 16.001 3.410 1.00 32.33 C ATOM 602 C ASN A 43 -1.706 15.428 3.984 1.00 45.15 C ATOM 603 O ASN A 43 -2.747 16.073 3.867 1.00 11.22 O ATOM 604 CB ASN A 43 -0.518 16.552 1.959 1.00 61.21 C ATOM 605 CG ASN A 43 -1.045 15.600 0.882 1.00 30.40 C ATOM 606 OD1 ASN A 43 -0.607 14.464 0.798 1.00 41.14 O ATOM 607 ND2 ASN A 43 -1.892 16.032 -0.037 1.00 72.11 N ATOM 0 H ASN A 43 0.720 14.349 2.825 1.00 12.02 H new ATOM 0 HA ASN A 43 -0.190 16.863 4.044 1.00 32.33 H new ATOM 0 HB2 ASN A 43 -1.171 17.425 1.985 1.00 61.21 H new ATOM 0 HB3 ASN A 43 0.467 16.900 1.648 1.00 61.21 H new ATOM 0 HD21 ASN A 43 -2.171 15.418 -0.803 1.00 72.11 H new ATOM 0 HD22 ASN A 43 -2.267 16.979 0.020 1.00 72.11 H new ATOM 614 N TYR A 44 -1.671 14.264 4.637 1.00 32.20 N ATOM 615 CA TYR A 44 -2.794 13.576 5.269 1.00 21.14 C ATOM 616 C TYR A 44 -2.271 12.736 6.442 1.00 45.45 C ATOM 617 O TYR A 44 -1.147 12.238 6.375 1.00 33.22 O ATOM 618 CB TYR A 44 -3.440 12.632 4.245 1.00 45.23 C ATOM 619 CG TYR A 44 -4.457 13.263 3.321 1.00 13.04 C ATOM 620 CD1 TYR A 44 -5.776 13.445 3.777 1.00 54.44 C ATOM 621 CD2 TYR A 44 -4.109 13.617 2.003 1.00 52.34 C ATOM 622 CE1 TYR A 44 -6.735 14.032 2.933 1.00 32.21 C ATOM 623 CE2 TYR A 44 -5.078 14.166 1.137 1.00 14.12 C ATOM 624 CZ TYR A 44 -6.385 14.417 1.622 1.00 11.20 C ATOM 625 OH TYR A 44 -7.301 15.056 0.862 1.00 1.40 O ATOM 0 H TYR A 44 -0.799 13.745 4.744 1.00 32.20 H new ATOM 0 HA TYR A 44 -3.522 14.306 5.623 1.00 21.14 H new ATOM 0 HB2 TYR A 44 -2.650 12.189 3.638 1.00 45.23 H new ATOM 0 HB3 TYR A 44 -3.923 11.817 4.784 1.00 45.23 H new ATOM 0 HD1 TYR A 44 -6.051 13.134 4.774 1.00 54.44 H new ATOM 0 HD2 TYR A 44 -3.098 13.468 1.654 1.00 52.34 H new ATOM 0 HE1 TYR A 44 -7.742 14.189 3.289 1.00 32.21 H new ATOM 0 HE2 TYR A 44 -4.825 14.393 0.112 1.00 14.12 H new ATOM 0 HH TYR A 44 -6.914 15.258 -0.015 1.00 1.40 H new ATOM 635 N LYS A 45 -3.084 12.537 7.489 1.00 21.54 N ATOM 636 CA LYS A 45 -2.788 11.729 8.681 1.00 74.52 C ATOM 637 C LYS A 45 -4.055 11.005 9.147 1.00 54.33 C ATOM 638 O LYS A 45 -4.399 11.002 10.334 1.00 23.30 O ATOM 639 CB LYS A 45 -2.260 12.654 9.781 1.00 52.04 C ATOM 640 CG LYS A 45 -0.815 13.100 9.525 1.00 50.11 C ATOM 641 CD LYS A 45 -0.710 14.578 9.179 1.00 11.03 C ATOM 642 CE LYS A 45 0.755 14.977 9.018 1.00 24.10 C ATOM 643 NZ LYS A 45 0.933 16.401 9.340 1.00 50.25 N ATOM 0 H LYS A 45 -4.013 12.956 7.530 1.00 21.54 H new ATOM 0 HA LYS A 45 -2.034 10.978 8.447 1.00 74.52 H new ATOM 0 HB2 LYS A 45 -2.901 13.532 9.852 1.00 52.04 H new ATOM 0 HB3 LYS A 45 -2.314 12.141 10.741 1.00 52.04 H new ATOM 0 HG2 LYS A 45 -0.213 12.895 10.410 1.00 50.11 H new ATOM 0 HG3 LYS A 45 -0.396 12.510 8.710 1.00 50.11 H new ATOM 0 HD2 LYS A 45 -1.254 14.783 8.257 1.00 11.03 H new ATOM 0 HD3 LYS A 45 -1.174 15.177 9.963 1.00 11.03 H new ATOM 0 HE2 LYS A 45 1.379 14.368 9.672 1.00 24.10 H new ATOM 0 HE3 LYS A 45 1.082 14.784 7.996 1.00 24.10 H new ATOM 0 HZ1 LYS A 45 1.934 16.660 9.227 1.00 50.25 H new ATOM 0 HZ2 LYS A 45 0.351 16.977 8.699 1.00 50.25 H new ATOM 0 HZ3 LYS A 45 0.640 16.574 10.323 1.00 50.25 H new ATOM 657 N SER A 46 -4.813 10.500 8.180 1.00 30.22 N ATOM 658 CA SER A 46 -6.204 10.125 8.376 1.00 13.30 C ATOM 659 C SER A 46 -6.609 8.975 7.440 1.00 41.34 C ATOM 660 O SER A 46 -7.719 9.005 6.914 1.00 24.33 O ATOM 661 CB SER A 46 -7.041 11.400 8.141 1.00 1.01 C ATOM 662 OG SER A 46 -6.641 12.468 8.987 1.00 2.41 O ATOM 0 H SER A 46 -4.474 10.339 7.231 1.00 30.22 H new ATOM 0 HA SER A 46 -6.374 9.747 9.384 1.00 13.30 H new ATOM 0 HB2 SER A 46 -6.946 11.708 7.100 1.00 1.01 H new ATOM 0 HB3 SER A 46 -8.094 11.178 8.313 1.00 1.01 H new ATOM 0 HG SER A 46 -7.195 13.255 8.804 1.00 2.41 H new ATOM 668 N PHE A 47 -5.723 8.003 7.163 1.00 74.55 N ATOM 669 CA PHE A 47 -5.970 6.967 6.148 1.00 4.32 C ATOM 670 C PHE A 47 -6.043 5.557 6.712 1.00 2.14 C ATOM 671 O PHE A 47 -5.571 5.304 7.823 1.00 53.13 O ATOM 672 CB PHE A 47 -4.939 7.047 5.014 1.00 23.11 C ATOM 673 CG PHE A 47 -3.518 6.620 5.355 1.00 71.11 C ATOM 674 CD1 PHE A 47 -2.713 7.447 6.157 1.00 73.12 C ATOM 675 CD2 PHE A 47 -2.969 5.432 4.826 1.00 13.41 C ATOM 676 CE1 PHE A 47 -1.378 7.107 6.403 1.00 51.25 C ATOM 677 CE2 PHE A 47 -1.634 5.076 5.106 1.00 73.41 C ATOM 678 CZ PHE A 47 -0.842 5.916 5.902 1.00 3.03 C ATOM 0 H PHE A 47 -4.822 7.914 7.633 1.00 74.55 H new ATOM 0 HA PHE A 47 -6.960 7.181 5.745 1.00 4.32 H new ATOM 0 HB2 PHE A 47 -5.292 6.429 4.188 1.00 23.11 H new ATOM 0 HB3 PHE A 47 -4.909 8.075 4.653 1.00 23.11 H new ATOM 0 HD1 PHE A 47 -3.126 8.348 6.585 1.00 73.12 H new ATOM 0 HD2 PHE A 47 -3.576 4.792 4.203 1.00 13.41 H new ATOM 0 HE1 PHE A 47 -0.756 7.770 6.985 1.00 51.25 H new ATOM 0 HE2 PHE A 47 -1.223 4.160 4.709 1.00 73.41 H new ATOM 0 HZ PHE A 47 0.179 5.644 6.128 1.00 3.03 H new ATOM 688 N TRP A 48 -6.625 4.638 5.937 1.00 33.44 N ATOM 689 CA TRP A 48 -6.803 3.250 6.333 1.00 63.32 C ATOM 690 C TRP A 48 -6.946 2.312 5.141 1.00 71.23 C ATOM 691 O TRP A 48 -7.061 2.730 3.986 1.00 11.40 O ATOM 692 CB TRP A 48 -8.031 3.135 7.235 1.00 20.44 C ATOM 693 CG TRP A 48 -9.343 3.611 6.704 1.00 74.43 C ATOM 694 CD1 TRP A 48 -10.227 2.883 5.986 1.00 75.23 C ATOM 695 CD2 TRP A 48 -9.968 4.909 6.902 1.00 35.21 C ATOM 696 NE1 TRP A 48 -11.351 3.639 5.738 1.00 15.54 N ATOM 697 CE2 TRP A 48 -11.290 4.860 6.375 1.00 54.52 C ATOM 698 CE3 TRP A 48 -9.548 6.125 7.477 1.00 60.21 C ATOM 699 CZ2 TRP A 48 -12.185 5.933 6.512 1.00 43.42 C ATOM 700 CZ3 TRP A 48 -10.430 7.210 7.612 1.00 1.23 C ATOM 701 CH2 TRP A 48 -11.756 7.105 7.160 1.00 0.21 C ATOM 0 H TRP A 48 -6.988 4.846 5.007 1.00 33.44 H new ATOM 0 HA TRP A 48 -5.905 2.945 6.871 1.00 63.32 H new ATOM 0 HB2 TRP A 48 -8.144 2.087 7.511 1.00 20.44 H new ATOM 0 HB3 TRP A 48 -7.823 3.686 8.152 1.00 20.44 H new ATOM 0 HD1 TRP A 48 -10.075 1.865 5.657 1.00 75.23 H new ATOM 0 HE1 TRP A 48 -12.131 3.334 5.156 1.00 15.54 H new ATOM 0 HE3 TRP A 48 -8.529 6.225 7.820 1.00 60.21 H new ATOM 0 HZ2 TRP A 48 -13.190 5.859 6.125 1.00 43.42 H new ATOM 0 HZ3 TRP A 48 -10.087 8.129 8.065 1.00 1.23 H new ATOM 0 HH2 TRP A 48 -12.445 7.923 7.310 1.00 0.21 H new ATOM 712 N ILE A 49 -6.945 1.019 5.464 1.00 32.13 N ATOM 713 CA ILE A 49 -7.215 -0.073 4.548 1.00 21.52 C ATOM 714 C ILE A 49 -8.727 -0.274 4.574 1.00 23.21 C ATOM 715 O ILE A 49 -9.287 -0.463 5.653 1.00 31.51 O ATOM 716 CB ILE A 49 -6.530 -1.374 5.006 1.00 44.15 C ATOM 717 CG1 ILE A 49 -5.012 -1.210 5.226 1.00 23.41 C ATOM 718 CG2 ILE A 49 -6.854 -2.486 3.990 1.00 63.52 C ATOM 719 CD1 ILE A 49 -4.138 -1.490 4.000 1.00 61.54 C ATOM 0 H ILE A 49 -6.747 0.698 6.412 1.00 32.13 H new ATOM 0 HA ILE A 49 -6.836 0.162 3.553 1.00 21.52 H new ATOM 0 HB ILE A 49 -6.925 -1.649 5.984 1.00 44.15 H new ATOM 0 HG12 ILE A 49 -4.819 -0.192 5.564 1.00 23.41 H new ATOM 0 HG13 ILE A 49 -4.704 -1.877 6.031 1.00 23.41 H new ATOM 0 HG21 ILE A 49 -6.375 -3.414 4.302 1.00 63.52 H new ATOM 0 HG22 ILE A 49 -7.933 -2.632 3.943 1.00 63.52 H new ATOM 0 HG23 ILE A 49 -6.483 -2.199 3.006 1.00 63.52 H new ATOM 0 HD11 ILE A 49 -3.089 -1.347 4.260 1.00 61.54 H new ATOM 0 HD12 ILE A 49 -4.293 -2.517 3.670 1.00 61.54 H new ATOM 0 HD13 ILE A 49 -4.409 -0.806 3.196 1.00 61.54 H new ATOM 731 N SER A 50 -9.374 -0.285 3.417 1.00 42.03 N ATOM 732 CA SER A 50 -10.732 -0.785 3.260 1.00 4.13 C ATOM 733 C SER A 50 -10.756 -2.018 2.351 1.00 13.50 C ATOM 734 O SER A 50 -11.428 -2.993 2.694 1.00 14.32 O ATOM 735 CB SER A 50 -11.645 0.338 2.765 1.00 53.15 C ATOM 736 OG SER A 50 -12.982 -0.114 2.775 1.00 54.21 O ATOM 0 H SER A 50 -8.964 0.058 2.548 1.00 42.03 H new ATOM 0 HA SER A 50 -11.115 -1.111 4.227 1.00 4.13 H new ATOM 0 HB2 SER A 50 -11.540 1.216 3.402 1.00 53.15 H new ATOM 0 HB3 SER A 50 -11.358 0.639 1.758 1.00 53.15 H new ATOM 0 HG SER A 50 -13.572 0.602 2.460 1.00 54.21 H new ATOM 742 N SER A 51 -10.009 -2.017 1.243 1.00 11.42 N ATOM 743 CA SER A 51 -10.016 -3.094 0.260 1.00 23.12 C ATOM 744 C SER A 51 -8.581 -3.551 -0.004 1.00 42.21 C ATOM 745 O SER A 51 -7.645 -2.757 0.106 1.00 24.13 O ATOM 746 CB SER A 51 -10.692 -2.588 -1.027 1.00 43.43 C ATOM 747 OG SER A 51 -11.720 -3.462 -1.445 1.00 64.13 O ATOM 0 H SER A 51 -9.375 -1.255 1.004 1.00 11.42 H new ATOM 0 HA SER A 51 -10.578 -3.950 0.633 1.00 23.12 H new ATOM 0 HB2 SER A 51 -11.104 -1.593 -0.857 1.00 43.43 H new ATOM 0 HB3 SER A 51 -9.948 -2.494 -1.818 1.00 43.43 H new ATOM 0 HG SER A 51 -11.398 -4.015 -2.187 1.00 64.13 H new ATOM 753 N VAL A 52 -8.415 -4.818 -0.382 1.00 62.12 N ATOM 754 CA VAL A 52 -7.166 -5.438 -0.821 1.00 71.52 C ATOM 755 C VAL A 52 -7.552 -6.455 -1.894 1.00 51.44 C ATOM 756 O VAL A 52 -8.551 -7.159 -1.744 1.00 22.53 O ATOM 757 CB VAL A 52 -6.476 -6.134 0.382 1.00 51.21 C ATOM 758 CG1 VAL A 52 -5.247 -6.945 -0.051 1.00 1.41 C ATOM 759 CG2 VAL A 52 -6.034 -5.153 1.480 1.00 35.50 C ATOM 0 H VAL A 52 -9.194 -5.477 -0.390 1.00 62.12 H new ATOM 0 HA VAL A 52 -6.463 -4.705 -1.217 1.00 71.52 H new ATOM 0 HB VAL A 52 -7.240 -6.797 0.789 1.00 51.21 H new ATOM 0 HG11 VAL A 52 -4.795 -7.415 0.822 1.00 1.41 H new ATOM 0 HG12 VAL A 52 -5.550 -7.714 -0.761 1.00 1.41 H new ATOM 0 HG13 VAL A 52 -4.521 -6.282 -0.522 1.00 1.41 H new ATOM 0 HG21 VAL A 52 -5.559 -5.705 2.291 1.00 35.50 H new ATOM 0 HG22 VAL A 52 -5.325 -4.437 1.064 1.00 35.50 H new ATOM 0 HG23 VAL A 52 -6.904 -4.621 1.864 1.00 35.50 H new ATOM 769 N LYS A 53 -6.772 -6.557 -2.972 1.00 1.20 N ATOM 770 CA LYS A 53 -6.821 -7.675 -3.920 1.00 42.32 C ATOM 771 C LYS A 53 -5.685 -8.608 -3.593 1.00 12.20 C ATOM 772 O LYS A 53 -4.582 -8.125 -3.399 1.00 33.54 O ATOM 773 CB LYS A 53 -6.739 -7.158 -5.365 1.00 4.40 C ATOM 774 CG LYS A 53 -6.166 -8.138 -6.414 1.00 21.41 C ATOM 775 CD LYS A 53 -6.491 -7.754 -7.863 1.00 34.21 C ATOM 776 CE LYS A 53 -6.241 -6.270 -8.120 1.00 43.22 C ATOM 777 NZ LYS A 53 -6.695 -5.827 -9.445 1.00 43.12 N ATOM 0 H LYS A 53 -6.076 -5.853 -3.216 1.00 1.20 H new ATOM 0 HA LYS A 53 -7.765 -8.213 -3.834 1.00 42.32 H new ATOM 0 HB2 LYS A 53 -7.741 -6.867 -5.681 1.00 4.40 H new ATOM 0 HB3 LYS A 53 -6.128 -6.256 -5.371 1.00 4.40 H new ATOM 0 HG2 LYS A 53 -5.084 -8.190 -6.296 1.00 21.41 H new ATOM 0 HG3 LYS A 53 -6.556 -9.136 -6.216 1.00 21.41 H new ATOM 0 HD2 LYS A 53 -5.882 -8.349 -8.543 1.00 34.21 H new ATOM 0 HD3 LYS A 53 -7.533 -7.991 -8.078 1.00 34.21 H new ATOM 0 HE2 LYS A 53 -6.750 -5.685 -7.354 1.00 43.22 H new ATOM 0 HE3 LYS A 53 -5.175 -6.065 -8.021 1.00 43.22 H new ATOM 0 HZ1 LYS A 53 -6.498 -4.812 -9.558 1.00 43.12 H new ATOM 0 HZ2 LYS A 53 -6.192 -6.362 -10.181 1.00 43.12 H new ATOM 0 HZ3 LYS A 53 -7.718 -5.993 -9.535 1.00 43.12 H new ATOM 791 N GLU A 54 -5.943 -9.911 -3.604 1.00 3.04 N ATOM 792 CA GLU A 54 -4.952 -10.955 -3.327 1.00 63.14 C ATOM 793 C GLU A 54 -5.104 -12.160 -4.269 1.00 32.54 C ATOM 794 O GLU A 54 -4.294 -13.084 -4.207 1.00 1.10 O ATOM 795 CB GLU A 54 -5.043 -11.372 -1.845 1.00 54.41 C ATOM 796 CG GLU A 54 -6.428 -11.927 -1.451 1.00 40.12 C ATOM 797 CD GLU A 54 -6.516 -12.459 -0.014 1.00 71.55 C ATOM 798 OE1 GLU A 54 -5.682 -12.120 0.855 1.00 74.24 O ATOM 799 OE2 GLU A 54 -7.501 -13.169 0.295 1.00 64.51 O ATOM 0 H GLU A 54 -6.869 -10.284 -3.811 1.00 3.04 H new ATOM 0 HA GLU A 54 -3.959 -10.548 -3.516 1.00 63.14 H new ATOM 0 HB2 GLU A 54 -4.285 -12.128 -1.640 1.00 54.41 H new ATOM 0 HB3 GLU A 54 -4.812 -10.511 -1.218 1.00 54.41 H new ATOM 0 HG2 GLU A 54 -7.171 -11.140 -1.579 1.00 40.12 H new ATOM 0 HG3 GLU A 54 -6.693 -12.730 -2.139 1.00 40.12 H new ATOM 806 N GLU A 55 -6.136 -12.174 -5.125 1.00 53.11 N ATOM 807 CA GLU A 55 -6.569 -13.368 -5.863 1.00 0.33 C ATOM 808 C GLU A 55 -7.136 -13.003 -7.250 1.00 63.33 C ATOM 809 O GLU A 55 -8.031 -13.664 -7.778 1.00 43.43 O ATOM 810 CB GLU A 55 -7.573 -14.143 -4.974 1.00 55.22 C ATOM 811 CG GLU A 55 -7.111 -15.581 -4.722 1.00 15.01 C ATOM 812 CD GLU A 55 -7.180 -16.449 -5.977 1.00 61.51 C ATOM 813 OE1 GLU A 55 -8.309 -16.814 -6.369 1.00 23.50 O ATOM 814 OE2 GLU A 55 -6.106 -16.777 -6.543 1.00 60.33 O ATOM 0 H GLU A 55 -6.699 -11.348 -5.326 1.00 53.11 H new ATOM 0 HA GLU A 55 -5.718 -14.016 -6.072 1.00 0.33 H new ATOM 0 HB2 GLU A 55 -7.691 -13.626 -4.022 1.00 55.22 H new ATOM 0 HB3 GLU A 55 -8.552 -14.154 -5.454 1.00 55.22 H new ATOM 0 HG2 GLU A 55 -6.087 -15.569 -4.349 1.00 15.01 H new ATOM 0 HG3 GLU A 55 -7.729 -16.026 -3.943 1.00 15.01 H new ATOM 821 N GLY A 56 -6.710 -11.865 -7.807 1.00 5.34 N ATOM 822 CA GLY A 56 -7.305 -11.274 -9.010 1.00 14.42 C ATOM 823 C GLY A 56 -8.637 -10.565 -8.726 1.00 11.12 C ATOM 824 O GLY A 56 -9.168 -9.842 -9.572 1.00 32.13 O ATOM 0 H GLY A 56 -5.933 -11.322 -7.431 1.00 5.34 H new ATOM 0 HA2 GLY A 56 -6.604 -10.561 -9.444 1.00 14.42 H new ATOM 0 HA3 GLY A 56 -7.465 -12.056 -9.752 1.00 14.42 H new ATOM 828 N LYS A 57 -9.151 -10.707 -7.504 1.00 3.12 N ATOM 829 CA LYS A 57 -10.357 -10.089 -6.982 1.00 25.31 C ATOM 830 C LYS A 57 -10.066 -9.493 -5.616 1.00 33.31 C ATOM 831 O LYS A 57 -9.094 -9.895 -4.962 1.00 2.10 O ATOM 832 CB LYS A 57 -11.505 -11.114 -6.945 1.00 3.20 C ATOM 833 CG LYS A 57 -11.222 -12.443 -6.229 1.00 62.41 C ATOM 834 CD LYS A 57 -11.783 -12.514 -4.798 1.00 23.51 C ATOM 835 CE LYS A 57 -11.533 -13.904 -4.189 1.00 35.24 C ATOM 836 NZ LYS A 57 -12.113 -15.003 -4.995 1.00 11.43 N ATOM 0 H LYS A 57 -8.699 -11.300 -6.808 1.00 3.12 H new ATOM 0 HA LYS A 57 -10.678 -9.278 -7.636 1.00 25.31 H new ATOM 0 HB2 LYS A 57 -12.364 -10.645 -6.465 1.00 3.20 H new ATOM 0 HB3 LYS A 57 -11.796 -11.336 -7.972 1.00 3.20 H new ATOM 0 HG2 LYS A 57 -11.647 -13.258 -6.816 1.00 62.41 H new ATOM 0 HG3 LYS A 57 -10.144 -12.603 -6.194 1.00 62.41 H new ATOM 0 HD2 LYS A 57 -11.314 -11.750 -4.179 1.00 23.51 H new ATOM 0 HD3 LYS A 57 -12.852 -12.303 -4.809 1.00 23.51 H new ATOM 0 HE2 LYS A 57 -10.459 -14.062 -4.088 1.00 35.24 H new ATOM 0 HE3 LYS A 57 -11.955 -13.936 -3.185 1.00 35.24 H new ATOM 0 HZ1 LYS A 57 -12.172 -15.865 -4.416 1.00 11.43 H new ATOM 0 HZ2 LYS A 57 -13.066 -14.734 -5.314 1.00 11.43 H new ATOM 0 HZ3 LYS A 57 -11.509 -15.183 -5.822 1.00 11.43 H new ATOM 850 N PHE A 58 -10.896 -8.532 -5.215 1.00 65.32 N ATOM 851 CA PHE A 58 -10.778 -7.835 -3.946 1.00 34.32 C ATOM 852 C PHE A 58 -11.454 -8.624 -2.817 1.00 21.10 C ATOM 853 O PHE A 58 -12.213 -9.568 -3.056 1.00 20.31 O ATOM 854 CB PHE A 58 -11.312 -6.400 -4.086 1.00 13.43 C ATOM 855 CG PHE A 58 -10.303 -5.440 -4.704 1.00 21.51 C ATOM 856 CD1 PHE A 58 -10.155 -5.334 -6.101 1.00 42.45 C ATOM 857 CD2 PHE A 58 -9.500 -4.644 -3.866 1.00 11.44 C ATOM 858 CE1 PHE A 58 -9.220 -4.430 -6.644 1.00 14.20 C ATOM 859 CE2 PHE A 58 -8.558 -3.750 -4.406 1.00 64.21 C ATOM 860 CZ PHE A 58 -8.423 -3.637 -5.800 1.00 1.01 C ATOM 0 H PHE A 58 -11.684 -8.213 -5.779 1.00 65.32 H new ATOM 0 HA PHE A 58 -9.726 -7.762 -3.669 1.00 34.32 H new ATOM 0 HB2 PHE A 58 -12.213 -6.413 -4.699 1.00 13.43 H new ATOM 0 HB3 PHE A 58 -11.601 -6.029 -3.102 1.00 13.43 H new ATOM 0 HD1 PHE A 58 -10.758 -5.945 -6.756 1.00 42.45 H new ATOM 0 HD2 PHE A 58 -9.609 -4.721 -2.794 1.00 11.44 H new ATOM 0 HE1 PHE A 58 -9.115 -4.346 -7.716 1.00 14.20 H new ATOM 0 HE2 PHE A 58 -7.941 -3.153 -3.752 1.00 64.21 H new ATOM 0 HZ PHE A 58 -7.710 -2.944 -6.221 1.00 1.01 H new ATOM 870 N LYS A 59 -11.151 -8.245 -1.577 1.00 0.00 N ATOM 871 CA LYS A 59 -11.670 -8.774 -0.318 1.00 51.52 C ATOM 872 C LYS A 59 -11.966 -7.617 0.653 1.00 40.12 C ATOM 873 O LYS A 59 -11.679 -6.460 0.345 1.00 41.44 O ATOM 874 CB LYS A 59 -10.666 -9.799 0.249 1.00 15.44 C ATOM 875 CG LYS A 59 -9.323 -9.171 0.692 1.00 72.54 C ATOM 876 CD LYS A 59 -8.963 -9.579 2.122 1.00 22.22 C ATOM 877 CE LYS A 59 -8.207 -10.903 2.197 1.00 52.33 C ATOM 878 NZ LYS A 59 -8.128 -11.438 3.572 1.00 14.14 N ATOM 0 H LYS A 59 -10.478 -7.496 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.614 -9.295 -0.476 1.00 51.52 H new ATOM 0 HB2 LYS A 59 -11.119 -10.306 1.101 1.00 15.44 H new ATOM 0 HB3 LYS A 59 -10.470 -10.560 -0.507 1.00 15.44 H new ATOM 0 HG2 LYS A 59 -8.531 -9.484 0.012 1.00 72.54 H new ATOM 0 HG3 LYS A 59 -9.388 -8.085 0.627 1.00 72.54 H new ATOM 0 HD2 LYS A 59 -8.356 -8.795 2.575 1.00 22.22 H new ATOM 0 HD3 LYS A 59 -9.876 -9.656 2.712 1.00 22.22 H new ATOM 0 HE2 LYS A 59 -8.698 -11.634 1.555 1.00 52.33 H new ATOM 0 HE3 LYS A 59 -7.199 -10.763 1.807 1.00 52.33 H new ATOM 0 HZ1 LYS A 59 -7.939 -12.460 3.537 1.00 14.14 H new ATOM 0 HZ2 LYS A 59 -7.360 -10.962 4.086 1.00 14.14 H new ATOM 0 HZ3 LYS A 59 -9.029 -11.269 4.062 1.00 14.14 H new ATOM 892 N GLU A 60 -12.559 -7.937 1.803 1.00 3.10 N ATOM 893 CA GLU A 60 -12.882 -7.009 2.894 1.00 24.03 C ATOM 894 C GLU A 60 -11.649 -6.852 3.789 1.00 4.43 C ATOM 895 O GLU A 60 -10.703 -7.625 3.652 1.00 63.21 O ATOM 896 CB GLU A 60 -14.032 -7.606 3.725 1.00 14.12 C ATOM 897 CG GLU A 60 -15.408 -7.488 3.097 1.00 51.53 C ATOM 898 CD GLU A 60 -16.180 -6.261 3.592 1.00 24.41 C ATOM 899 OE1 GLU A 60 -15.786 -5.117 3.251 1.00 54.42 O ATOM 900 OE2 GLU A 60 -17.170 -6.441 4.331 1.00 41.23 O ATOM 0 H GLU A 60 -12.842 -8.894 2.012 1.00 3.10 H new ATOM 0 HA GLU A 60 -13.176 -6.040 2.491 1.00 24.03 H new ATOM 0 HB2 GLU A 60 -13.821 -8.660 3.905 1.00 14.12 H new ATOM 0 HB3 GLU A 60 -14.050 -7.114 4.698 1.00 14.12 H new ATOM 0 HG2 GLU A 60 -15.305 -7.435 2.013 1.00 51.53 H new ATOM 0 HG3 GLU A 60 -15.982 -8.387 3.319 1.00 51.53 H new ATOM 907 N ASN A 61 -11.666 -5.946 4.772 1.00 3.23 N ATOM 908 CA ASN A 61 -10.567 -5.756 5.706 1.00 21.43 C ATOM 909 C ASN A 61 -11.129 -5.654 7.117 1.00 64.15 C ATOM 910 O ASN A 61 -12.243 -5.158 7.297 1.00 15.13 O ATOM 911 CB ASN A 61 -9.754 -4.511 5.342 1.00 24.00 C ATOM 912 CG ASN A 61 -8.328 -4.703 5.825 1.00 74.13 C ATOM 913 OD1 ASN A 61 -7.570 -5.411 5.191 1.00 43.43 O ATOM 914 ND2 ASN A 61 -7.922 -4.096 6.922 1.00 14.13 N ATOM 0 H ASN A 61 -12.455 -5.321 4.938 1.00 3.23 H new ATOM 0 HA ASN A 61 -9.891 -6.610 5.652 1.00 21.43 H new ATOM 0 HB2 ASN A 61 -9.770 -4.351 4.264 1.00 24.00 H new ATOM 0 HB3 ASN A 61 -10.193 -3.625 5.802 1.00 24.00 H new ATOM 0 HD21 ASN A 61 -6.963 -4.218 7.247 1.00 14.13 H new ATOM 0 HD22 ASN A 61 -8.567 -3.504 7.446 1.00 14.13 H new ATOM 921 N THR A 62 -10.369 -6.119 8.103 1.00 61.05 N ATOM 922 CA THR A 62 -10.841 -6.376 9.463 1.00 35.11 C ATOM 923 C THR A 62 -10.164 -5.456 10.497 1.00 23.32 C ATOM 924 O THR A 62 -10.280 -5.638 11.710 1.00 55.44 O ATOM 925 CB THR A 62 -10.696 -7.887 9.708 1.00 22.32 C ATOM 926 OG1 THR A 62 -11.513 -8.334 10.772 1.00 34.10 O ATOM 927 CG2 THR A 62 -9.235 -8.268 9.927 1.00 0.53 C ATOM 0 H THR A 62 -9.380 -6.334 7.977 1.00 61.05 H new ATOM 0 HA THR A 62 -11.893 -6.118 9.585 1.00 35.11 H new ATOM 0 HB THR A 62 -11.044 -8.396 8.809 1.00 22.32 H new ATOM 0 HG1 THR A 62 -11.473 -7.689 11.508 1.00 34.10 H new ATOM 0 HG21 THR A 62 -9.161 -9.342 10.098 1.00 0.53 H new ATOM 0 HG22 THR A 62 -8.653 -8.000 9.045 1.00 0.53 H new ATOM 0 HG23 THR A 62 -8.846 -7.735 10.794 1.00 0.53 H new ATOM 935 N SER A 63 -9.439 -4.440 10.042 1.00 0.53 N ATOM 936 CA SER A 63 -9.054 -3.274 10.825 1.00 64.14 C ATOM 937 C SER A 63 -9.009 -2.087 9.860 1.00 12.13 C ATOM 938 O SER A 63 -9.034 -2.280 8.644 1.00 34.12 O ATOM 939 CB SER A 63 -7.680 -3.514 11.471 1.00 54.25 C ATOM 940 OG SER A 63 -7.700 -4.604 12.373 1.00 0.22 O ATOM 0 H SER A 63 -9.091 -4.406 9.084 1.00 0.53 H new ATOM 0 HA SER A 63 -9.763 -3.079 11.630 1.00 64.14 H new ATOM 0 HB2 SER A 63 -6.941 -3.702 10.692 1.00 54.25 H new ATOM 0 HB3 SER A 63 -7.365 -2.613 11.998 1.00 54.25 H new ATOM 0 HG SER A 63 -8.581 -5.032 12.350 1.00 0.22 H new ATOM 946 N TYR A 64 -8.840 -0.874 10.374 1.00 21.00 N ATOM 947 CA TYR A 64 -8.656 0.335 9.583 1.00 24.14 C ATOM 948 C TYR A 64 -7.279 0.921 9.905 1.00 35.30 C ATOM 949 O TYR A 64 -7.124 2.130 10.027 1.00 61.54 O ATOM 950 CB TYR A 64 -9.818 1.315 9.817 1.00 73.13 C ATOM 951 CG TYR A 64 -11.205 0.739 9.611 1.00 2.22 C ATOM 952 CD1 TYR A 64 -11.559 0.163 8.376 1.00 12.13 C ATOM 953 CD2 TYR A 64 -12.144 0.787 10.658 1.00 42.21 C ATOM 954 CE1 TYR A 64 -12.830 -0.409 8.202 1.00 32.31 C ATOM 955 CE2 TYR A 64 -13.417 0.222 10.489 1.00 1.12 C ATOM 956 CZ TYR A 64 -13.753 -0.417 9.275 1.00 4.12 C ATOM 957 OH TYR A 64 -14.940 -1.075 9.163 1.00 41.52 O ATOM 0 H TYR A 64 -8.827 -0.701 11.379 1.00 21.00 H new ATOM 0 HA TYR A 64 -8.677 0.111 8.516 1.00 24.14 H new ATOM 0 HB2 TYR A 64 -9.749 1.697 10.835 1.00 73.13 H new ATOM 0 HB3 TYR A 64 -9.693 2.166 9.148 1.00 73.13 H new ATOM 0 HD1 TYR A 64 -10.851 0.161 7.560 1.00 12.13 H new ATOM 0 HD2 TYR A 64 -11.884 1.260 11.594 1.00 42.21 H new ATOM 0 HE1 TYR A 64 -13.103 -0.842 7.251 1.00 32.31 H new ATOM 0 HE2 TYR A 64 -14.141 0.276 11.288 1.00 1.12 H new ATOM 0 HH TYR A 64 -15.449 -0.976 9.995 1.00 41.52 H new ATOM 967 N LYS A 65 -6.276 0.060 10.102 1.00 31.10 N ATOM 968 CA LYS A 65 -4.883 0.449 10.327 1.00 43.25 C ATOM 969 C LYS A 65 -3.903 -0.705 10.097 1.00 72.15 C ATOM 970 O LYS A 65 -2.713 -0.552 10.367 1.00 1.43 O ATOM 971 CB LYS A 65 -4.703 1.070 11.728 1.00 11.03 C ATOM 972 CG LYS A 65 -5.358 0.308 12.889 1.00 52.43 C ATOM 973 CD LYS A 65 -4.960 0.956 14.224 1.00 44.43 C ATOM 974 CE LYS A 65 -5.971 0.584 15.308 1.00 0.30 C ATOM 975 NZ LYS A 65 -5.558 1.046 16.647 1.00 40.03 N ATOM 0 H LYS A 65 -6.415 -0.950 10.109 1.00 31.10 H new ATOM 0 HA LYS A 65 -4.643 1.209 9.583 1.00 43.25 H new ATOM 0 HB2 LYS A 65 -3.636 1.156 11.932 1.00 11.03 H new ATOM 0 HB3 LYS A 65 -5.106 2.082 11.710 1.00 11.03 H new ATOM 0 HG2 LYS A 65 -6.442 0.318 12.778 1.00 52.43 H new ATOM 0 HG3 LYS A 65 -5.046 -0.736 12.873 1.00 52.43 H new ATOM 0 HD2 LYS A 65 -3.963 0.625 14.516 1.00 44.43 H new ATOM 0 HD3 LYS A 65 -4.916 2.039 14.113 1.00 44.43 H new ATOM 0 HE2 LYS A 65 -6.940 1.017 15.061 1.00 0.30 H new ATOM 0 HE3 LYS A 65 -6.100 -0.498 15.324 1.00 0.30 H new ATOM 0 HZ1 LYS A 65 -6.276 0.769 17.346 1.00 40.03 H new ATOM 0 HZ2 LYS A 65 -4.646 0.613 16.898 1.00 40.03 H new ATOM 0 HZ3 LYS A 65 -5.460 2.081 16.642 1.00 40.03 H new ATOM 989 N GLU A 66 -4.363 -1.868 9.633 1.00 42.14 N ATOM 990 CA GLU A 66 -3.546 -3.066 9.547 1.00 53.14 C ATOM 991 C GLU A 66 -4.150 -3.992 8.495 1.00 23.23 C ATOM 992 O GLU A 66 -5.358 -3.930 8.248 1.00 11.10 O ATOM 993 CB GLU A 66 -3.545 -3.703 10.950 1.00 15.20 C ATOM 994 CG GLU A 66 -2.790 -5.030 11.118 1.00 75.11 C ATOM 995 CD GLU A 66 -2.953 -5.611 12.531 1.00 21.24 C ATOM 996 OE1 GLU A 66 -3.274 -4.858 13.474 1.00 35.24 O ATOM 997 OE2 GLU A 66 -2.765 -6.843 12.693 1.00 43.02 O ATOM 0 H GLU A 66 -5.320 -2.000 9.306 1.00 42.14 H new ATOM 0 HA GLU A 66 -2.519 -2.856 9.246 1.00 53.14 H new ATOM 0 HB2 GLU A 66 -3.120 -2.982 11.648 1.00 15.20 H new ATOM 0 HB3 GLU A 66 -4.581 -3.864 11.249 1.00 15.20 H new ATOM 0 HG2 GLU A 66 -3.155 -5.750 10.386 1.00 75.11 H new ATOM 0 HG3 GLU A 66 -1.731 -4.873 10.910 1.00 75.11 H new ATOM 1004 N PHE A 67 -3.321 -4.857 7.908 1.00 1.00 N ATOM 1005 CA PHE A 67 -3.748 -6.043 7.183 1.00 51.45 C ATOM 1006 C PHE A 67 -2.627 -7.077 7.243 1.00 35.42 C ATOM 1007 O PHE A 67 -1.560 -6.860 6.670 1.00 0.31 O ATOM 1008 CB PHE A 67 -4.083 -5.718 5.722 1.00 60.25 C ATOM 1009 CG PHE A 67 -4.499 -6.954 4.944 1.00 1.33 C ATOM 1010 CD1 PHE A 67 -5.674 -7.636 5.303 1.00 32.13 C ATOM 1011 CD2 PHE A 67 -3.711 -7.442 3.886 1.00 52.44 C ATOM 1012 CE1 PHE A 67 -6.106 -8.752 4.576 1.00 64.45 C ATOM 1013 CE2 PHE A 67 -4.117 -8.587 3.177 1.00 53.01 C ATOM 1014 CZ PHE A 67 -5.319 -9.236 3.511 1.00 0.44 C ATOM 0 H PHE A 67 -2.307 -4.744 7.927 1.00 1.00 H new ATOM 0 HA PHE A 67 -4.653 -6.434 7.647 1.00 51.45 H new ATOM 0 HB2 PHE A 67 -4.886 -4.982 5.690 1.00 60.25 H new ATOM 0 HB3 PHE A 67 -3.215 -5.264 5.244 1.00 60.25 H new ATOM 0 HD1 PHE A 67 -6.251 -7.295 6.150 1.00 32.13 H new ATOM 0 HD2 PHE A 67 -2.794 -6.938 3.618 1.00 52.44 H new ATOM 0 HE1 PHE A 67 -7.036 -9.239 4.829 1.00 64.45 H new ATOM 0 HE2 PHE A 67 -3.504 -8.969 2.374 1.00 53.01 H new ATOM 0 HZ PHE A 67 -5.639 -10.104 2.953 1.00 0.44 H new ATOM 1024 N ASP A 68 -2.846 -8.183 7.947 1.00 42.03 N ATOM 1025 CA ASP A 68 -2.089 -9.423 7.834 1.00 63.43 C ATOM 1026 C ASP A 68 -2.788 -10.315 6.813 1.00 52.34 C ATOM 1027 O ASP A 68 -3.975 -10.619 6.940 1.00 73.43 O ATOM 1028 CB ASP A 68 -1.901 -10.163 9.180 1.00 34.52 C ATOM 1029 CG ASP A 68 -2.880 -9.870 10.325 1.00 1.44 C ATOM 1030 OD1 ASP A 68 -4.031 -9.412 10.108 1.00 13.44 O ATOM 1031 OD2 ASP A 68 -2.474 -10.049 11.493 1.00 71.31 O ATOM 0 H ASP A 68 -3.590 -8.241 8.643 1.00 42.03 H new ATOM 0 HA ASP A 68 -1.080 -9.173 7.506 1.00 63.43 H new ATOM 0 HB2 ASP A 68 -1.940 -11.233 8.977 1.00 34.52 H new ATOM 0 HB3 ASP A 68 -0.896 -9.944 9.540 1.00 34.52 H new ATOM 1036 N GLY A 69 -2.035 -10.732 5.795 1.00 40.14 N ATOM 1037 CA GLY A 69 -2.472 -11.621 4.733 1.00 72.43 C ATOM 1038 C GLY A 69 -1.389 -12.635 4.379 1.00 4.31 C ATOM 1039 O GLY A 69 -0.917 -12.661 3.243 1.00 33.22 O ATOM 0 H GLY A 69 -1.062 -10.443 5.689 1.00 40.14 H new ATOM 0 HA2 GLY A 69 -3.376 -12.145 5.043 1.00 72.43 H new ATOM 0 HA3 GLY A 69 -2.729 -11.037 3.849 1.00 72.43 H new ATOM 1043 N GLY A 70 -0.980 -13.453 5.354 1.00 13.22 N ATOM 1044 CA GLY A 70 -0.266 -14.719 5.166 1.00 72.43 C ATOM 1045 C GLY A 70 1.218 -14.594 4.817 1.00 42.44 C ATOM 1046 O GLY A 70 2.073 -15.165 5.497 1.00 72.54 O ATOM 0 H GLY A 70 -1.145 -13.241 6.338 1.00 13.22 H new ATOM 0 HA2 GLY A 70 -0.358 -15.307 6.079 1.00 72.43 H new ATOM 0 HA3 GLY A 70 -0.761 -15.281 4.374 1.00 72.43 H new ATOM 1050 N TRP A 71 1.536 -13.874 3.745 1.00 64.33 N ATOM 1051 CA TRP A 71 2.882 -13.580 3.252 1.00 35.34 C ATOM 1052 C TRP A 71 3.095 -12.070 3.175 1.00 2.42 C ATOM 1053 O TRP A 71 4.090 -11.593 2.621 1.00 24.42 O ATOM 1054 CB TRP A 71 3.084 -14.261 1.886 1.00 12.03 C ATOM 1055 CG TRP A 71 2.111 -13.899 0.793 1.00 11.04 C ATOM 1056 CD1 TRP A 71 0.848 -14.369 0.687 1.00 41.12 C ATOM 1057 CD2 TRP A 71 2.308 -13.050 -0.381 1.00 62.24 C ATOM 1058 NE1 TRP A 71 0.255 -13.878 -0.459 1.00 73.11 N ATOM 1059 CE2 TRP A 71 1.123 -13.090 -1.177 1.00 13.41 C ATOM 1060 CE3 TRP A 71 3.375 -12.273 -0.877 1.00 61.11 C ATOM 1061 CZ2 TRP A 71 1.019 -12.447 -2.420 1.00 24.42 C ATOM 1062 CZ3 TRP A 71 3.284 -11.620 -2.121 1.00 53.01 C ATOM 1063 CH2 TRP A 71 2.128 -11.739 -2.910 1.00 0.41 C ATOM 0 H TRP A 71 0.816 -13.452 3.159 1.00 64.33 H new ATOM 0 HA TRP A 71 3.627 -13.977 3.942 1.00 35.34 H new ATOM 0 HB2 TRP A 71 4.090 -14.028 1.536 1.00 12.03 H new ATOM 0 HB3 TRP A 71 3.041 -15.340 2.035 1.00 12.03 H new ATOM 0 HD1 TRP A 71 0.372 -15.032 1.395 1.00 41.12 H new ATOM 0 HE1 TRP A 71 -0.706 -14.075 -0.738 1.00 73.11 H new ATOM 0 HE3 TRP A 71 4.278 -12.177 -0.292 1.00 61.11 H new ATOM 0 HZ2 TRP A 71 0.103 -12.496 -2.989 1.00 24.42 H new ATOM 0 HZ3 TRP A 71 4.112 -11.021 -2.472 1.00 53.01 H new ATOM 0 HH2 TRP A 71 2.092 -11.287 -3.890 1.00 0.41 H new ATOM 1074 N TYR A 72 2.170 -11.283 3.722 1.00 31.41 N ATOM 1075 CA TYR A 72 2.052 -9.865 3.486 1.00 33.14 C ATOM 1076 C TYR A 72 1.532 -9.242 4.773 1.00 15.32 C ATOM 1077 O TYR A 72 0.618 -9.798 5.391 1.00 63.42 O ATOM 1078 CB TYR A 72 1.090 -9.662 2.311 1.00 15.44 C ATOM 1079 CG TYR A 72 1.046 -8.221 1.885 1.00 3.41 C ATOM 1080 CD1 TYR A 72 2.190 -7.653 1.305 1.00 51.30 C ATOM 1081 CD2 TYR A 72 -0.098 -7.436 2.110 1.00 22.45 C ATOM 1082 CE1 TYR A 72 2.227 -6.278 1.058 1.00 44.31 C ATOM 1083 CE2 TYR A 72 -0.087 -6.068 1.793 1.00 72.54 C ATOM 1084 CZ TYR A 72 1.106 -5.470 1.333 1.00 23.11 C ATOM 1085 OH TYR A 72 1.198 -4.139 1.084 1.00 40.22 O ATOM 0 H TYR A 72 1.461 -11.639 4.364 1.00 31.41 H new ATOM 0 HA TYR A 72 3.000 -9.394 3.227 1.00 33.14 H new ATOM 0 HB2 TYR A 72 1.402 -10.283 1.471 1.00 15.44 H new ATOM 0 HB3 TYR A 72 0.090 -9.990 2.596 1.00 15.44 H new ATOM 0 HD1 TYR A 72 3.036 -8.274 1.051 1.00 51.30 H new ATOM 0 HD2 TYR A 72 -0.987 -7.886 2.527 1.00 22.45 H new ATOM 0 HE1 TYR A 72 3.123 -5.831 0.653 1.00 44.31 H new ATOM 0 HE2 TYR A 72 -0.985 -5.478 1.900 1.00 72.54 H new ATOM 0 HH TYR A 72 1.371 -3.996 0.130 1.00 40.22 H new ATOM 1095 N LEU A 73 2.133 -8.141 5.225 1.00 55.20 N ATOM 1096 CA LEU A 73 1.750 -7.518 6.483 1.00 22.35 C ATOM 1097 C LEU A 73 1.865 -6.006 6.371 1.00 51.11 C ATOM 1098 O LEU A 73 2.929 -5.490 6.014 1.00 41.24 O ATOM 1099 CB LEU A 73 2.602 -8.077 7.643 1.00 74.40 C ATOM 1100 CG LEU A 73 1.721 -8.707 8.737 1.00 72.51 C ATOM 1101 CD1 LEU A 73 2.594 -9.339 9.819 1.00 32.23 C ATOM 1102 CD2 LEU A 73 0.785 -7.676 9.380 1.00 72.41 C ATOM 0 H LEU A 73 2.889 -7.664 4.734 1.00 55.20 H new ATOM 0 HA LEU A 73 0.709 -7.757 6.701 1.00 22.35 H new ATOM 0 HB2 LEU A 73 3.297 -8.824 7.259 1.00 74.40 H new ATOM 0 HB3 LEU A 73 3.202 -7.276 8.074 1.00 74.40 H new ATOM 0 HG LEU A 73 1.109 -9.472 8.259 1.00 72.51 H new ATOM 0 HD11 LEU A 73 1.959 -9.781 10.587 1.00 32.23 H new ATOM 0 HD12 LEU A 73 3.220 -10.114 9.375 1.00 32.23 H new ATOM 0 HD13 LEU A 73 3.227 -8.574 10.268 1.00 32.23 H new ATOM 0 HD21 LEU A 73 0.181 -8.161 10.147 1.00 72.41 H new ATOM 0 HD22 LEU A 73 1.376 -6.881 9.834 1.00 72.41 H new ATOM 0 HD23 LEU A 73 0.132 -7.252 8.617 1.00 72.41 H new ATOM 1114 N VAL A 74 0.789 -5.299 6.706 1.00 3.05 N ATOM 1115 CA VAL A 74 0.647 -3.856 6.577 1.00 71.10 C ATOM 1116 C VAL A 74 0.280 -3.292 7.934 1.00 14.45 C ATOM 1117 O VAL A 74 -0.514 -3.909 8.648 1.00 15.45 O ATOM 1118 CB VAL A 74 -0.452 -3.479 5.570 1.00 44.14 C ATOM 1119 CG1 VAL A 74 -0.345 -1.985 5.243 1.00 42.20 C ATOM 1120 CG2 VAL A 74 -0.353 -4.282 4.277 1.00 20.51 C ATOM 0 H VAL A 74 -0.046 -5.740 7.093 1.00 3.05 H new ATOM 0 HA VAL A 74 1.590 -3.446 6.215 1.00 71.10 H new ATOM 0 HB VAL A 74 -1.413 -3.709 6.030 1.00 44.14 H new ATOM 0 HG11 VAL A 74 -1.122 -1.712 4.529 1.00 42.20 H new ATOM 0 HG12 VAL A 74 -0.470 -1.403 6.156 1.00 42.20 H new ATOM 0 HG13 VAL A 74 0.634 -1.776 4.811 1.00 42.20 H new ATOM 0 HG21 VAL A 74 -1.151 -3.979 3.599 1.00 20.51 H new ATOM 0 HG22 VAL A 74 0.613 -4.097 3.807 1.00 20.51 H new ATOM 0 HG23 VAL A 74 -0.450 -5.344 4.500 1.00 20.51 H new ATOM 1130 N LYS A 75 0.804 -2.108 8.252 1.00 61.12 N ATOM 1131 CA LYS A 75 0.484 -1.309 9.424 1.00 1.43 C ATOM 1132 C LYS A 75 0.458 0.158 8.985 1.00 52.00 C ATOM 1133 O LYS A 75 1.121 0.516 8.007 1.00 62.34 O ATOM 1134 CB LYS A 75 1.534 -1.597 10.517 1.00 33.15 C ATOM 1135 CG LYS A 75 1.128 -2.835 11.342 1.00 71.12 C ATOM 1136 CD LYS A 75 2.265 -3.729 11.848 1.00 31.12 C ATOM 1137 CE LYS A 75 2.901 -4.621 10.766 1.00 21.43 C ATOM 1138 NZ LYS A 75 3.423 -5.880 11.356 1.00 23.52 N ATOM 0 H LYS A 75 1.503 -1.659 7.661 1.00 61.12 H new ATOM 0 HA LYS A 75 -0.490 -1.553 9.848 1.00 1.43 H new ATOM 0 HB2 LYS A 75 2.509 -1.762 10.059 1.00 33.15 H new ATOM 0 HB3 LYS A 75 1.632 -0.732 11.173 1.00 33.15 H new ATOM 0 HG2 LYS A 75 0.553 -2.496 12.204 1.00 71.12 H new ATOM 0 HG3 LYS A 75 0.461 -3.445 10.734 1.00 71.12 H new ATOM 0 HD2 LYS A 75 3.040 -3.099 12.284 1.00 31.12 H new ATOM 0 HD3 LYS A 75 1.883 -4.364 12.647 1.00 31.12 H new ATOM 0 HE2 LYS A 75 2.161 -4.853 10.000 1.00 21.43 H new ATOM 0 HE3 LYS A 75 3.711 -4.082 10.275 1.00 21.43 H new ATOM 0 HZ1 LYS A 75 3.847 -6.465 10.607 1.00 23.52 H new ATOM 0 HZ2 LYS A 75 4.145 -5.656 12.070 1.00 23.52 H new ATOM 0 HZ3 LYS A 75 2.643 -6.403 11.804 1.00 23.52 H new ATOM 1152 N ILE A 76 -0.341 0.982 9.662 1.00 74.33 N ATOM 1153 CA ILE A 76 -0.483 2.414 9.447 1.00 63.50 C ATOM 1154 C ILE A 76 -0.388 3.023 10.836 1.00 43.44 C ATOM 1155 O ILE A 76 -1.295 2.844 11.651 1.00 74.24 O ATOM 1156 CB ILE A 76 -1.822 2.762 8.759 1.00 21.24 C ATOM 1157 CG1 ILE A 76 -1.896 2.139 7.349 1.00 14.04 C ATOM 1158 CG2 ILE A 76 -1.991 4.294 8.702 1.00 42.45 C ATOM 1159 CD1 ILE A 76 -3.305 2.189 6.757 1.00 13.21 C ATOM 0 H ILE A 76 -0.938 0.645 10.417 1.00 74.33 H new ATOM 0 HA ILE A 76 0.284 2.803 8.778 1.00 63.50 H new ATOM 0 HB ILE A 76 -2.641 2.341 9.343 1.00 21.24 H new ATOM 0 HG12 ILE A 76 -1.209 2.666 6.687 1.00 14.04 H new ATOM 0 HG13 ILE A 76 -1.562 1.102 7.396 1.00 14.04 H new ATOM 0 HG21 ILE A 76 -2.936 4.538 8.216 1.00 42.45 H new ATOM 0 HG22 ILE A 76 -1.988 4.698 9.714 1.00 42.45 H new ATOM 0 HG23 ILE A 76 -1.169 4.730 8.135 1.00 42.45 H new ATOM 0 HD11 ILE A 76 -3.299 1.738 5.765 1.00 13.21 H new ATOM 0 HD12 ILE A 76 -3.990 1.639 7.402 1.00 13.21 H new ATOM 0 HD13 ILE A 76 -3.631 3.226 6.682 1.00 13.21 H new ATOM 1171 N GLU A 77 0.707 3.722 11.119 1.00 42.24 N ATOM 1172 CA GLU A 77 0.948 4.325 12.407 1.00 51.32 C ATOM 1173 C GLU A 77 1.266 5.790 12.181 1.00 63.14 C ATOM 1174 O GLU A 77 2.273 6.130 11.552 1.00 21.25 O ATOM 1175 CB GLU A 77 2.065 3.592 13.136 1.00 3.12 C ATOM 1176 CG GLU A 77 1.628 2.200 13.601 1.00 72.52 C ATOM 1177 CD GLU A 77 2.225 1.876 14.965 1.00 61.33 C ATOM 1178 OE1 GLU A 77 3.452 1.625 15.018 1.00 31.22 O ATOM 1179 OE2 GLU A 77 1.436 1.809 15.936 1.00 73.30 O ATOM 0 H GLU A 77 1.456 3.882 10.445 1.00 42.24 H new ATOM 0 HA GLU A 77 0.068 4.249 13.045 1.00 51.32 H new ATOM 0 HB2 GLU A 77 2.929 3.500 12.477 1.00 3.12 H new ATOM 0 HB3 GLU A 77 2.382 4.179 13.998 1.00 3.12 H new ATOM 0 HG2 GLU A 77 0.540 2.154 13.654 1.00 72.52 H new ATOM 0 HG3 GLU A 77 1.944 1.452 12.873 1.00 72.52 H new ATOM 1186 N ASP A 78 0.375 6.638 12.683 1.00 52.02 N ATOM 1187 CA ASP A 78 0.372 8.087 12.579 1.00 73.12 C ATOM 1188 C ASP A 78 0.149 8.508 11.132 1.00 42.33 C ATOM 1189 O ASP A 78 -0.991 8.757 10.731 1.00 54.22 O ATOM 1190 CB ASP A 78 1.627 8.683 13.225 1.00 73.42 C ATOM 1191 CG ASP A 78 1.347 10.113 13.638 1.00 15.33 C ATOM 1192 OD1 ASP A 78 1.520 11.043 12.816 1.00 60.30 O ATOM 1193 OD2 ASP A 78 0.947 10.311 14.805 1.00 54.30 O ATOM 0 H ASP A 78 -0.427 6.299 13.215 1.00 52.02 H new ATOM 0 HA ASP A 78 -0.464 8.498 13.145 1.00 73.12 H new ATOM 0 HB2 ASP A 78 1.918 8.092 14.093 1.00 73.42 H new ATOM 0 HB3 ASP A 78 2.461 8.652 12.524 1.00 73.42 H new ATOM 1198 N ASN A 79 1.214 8.501 10.330 1.00 3.15 N ATOM 1199 CA ASN A 79 1.177 8.704 8.892 1.00 13.32 C ATOM 1200 C ASN A 79 2.154 7.805 8.129 1.00 75.43 C ATOM 1201 O ASN A 79 2.257 7.933 6.904 1.00 23.24 O ATOM 1202 CB ASN A 79 1.396 10.180 8.551 1.00 54.33 C ATOM 1203 CG ASN A 79 2.811 10.693 8.770 1.00 64.32 C ATOM 1204 OD1 ASN A 79 3.667 10.056 9.376 1.00 1.34 O ATOM 1205 ND2 ASN A 79 3.083 11.894 8.291 1.00 24.55 N ATOM 0 H ASN A 79 2.159 8.348 10.683 1.00 3.15 H new ATOM 0 HA ASN A 79 0.181 8.411 8.560 1.00 13.32 H new ATOM 0 HB2 ASN A 79 1.127 10.339 7.507 1.00 54.33 H new ATOM 0 HB3 ASN A 79 0.712 10.780 9.151 1.00 54.33 H new ATOM 0 HD21 ASN A 79 4.010 12.298 8.424 1.00 24.55 H new ATOM 0 HD22 ASN A 79 2.366 12.417 7.788 1.00 24.55 H new ATOM 1212 N GLU A 80 2.859 6.905 8.820 1.00 1.22 N ATOM 1213 CA GLU A 80 3.759 5.928 8.230 1.00 33.14 C ATOM 1214 C GLU A 80 2.955 4.681 7.871 1.00 11.04 C ATOM 1215 O GLU A 80 2.529 3.924 8.751 1.00 32.33 O ATOM 1216 CB GLU A 80 4.910 5.572 9.182 1.00 12.11 C ATOM 1217 CG GLU A 80 5.875 6.751 9.398 1.00 32.21 C ATOM 1218 CD GLU A 80 7.267 6.279 9.818 1.00 31.53 C ATOM 1219 OE1 GLU A 80 7.394 5.259 10.528 1.00 52.20 O ATOM 1220 OE2 GLU A 80 8.261 6.932 9.411 1.00 12.43 O ATOM 0 H GLU A 80 2.813 6.840 9.837 1.00 1.22 H new ATOM 0 HA GLU A 80 4.208 6.355 7.333 1.00 33.14 H new ATOM 0 HB2 GLU A 80 4.501 5.260 10.143 1.00 12.11 H new ATOM 0 HB3 GLU A 80 5.462 4.723 8.780 1.00 12.11 H new ATOM 0 HG2 GLU A 80 5.951 7.331 8.478 1.00 32.21 H new ATOM 0 HG3 GLU A 80 5.471 7.415 10.162 1.00 32.21 H new ATOM 1227 N LEU A 81 2.722 4.486 6.575 1.00 13.41 N ATOM 1228 CA LEU A 81 2.242 3.233 6.010 1.00 22.12 C ATOM 1229 C LEU A 81 3.488 2.352 5.866 1.00 41.01 C ATOM 1230 O LEU A 81 4.442 2.778 5.212 1.00 20.12 O ATOM 1231 CB LEU A 81 1.575 3.527 4.645 1.00 1.11 C ATOM 1232 CG LEU A 81 0.679 2.444 4.026 1.00 52.21 C ATOM 1233 CD1 LEU A 81 0.474 2.732 2.535 1.00 2.25 C ATOM 1234 CD2 LEU A 81 1.183 1.047 4.246 1.00 51.42 C ATOM 0 H LEU A 81 2.866 5.213 5.875 1.00 13.41 H new ATOM 0 HA LEU A 81 1.495 2.734 6.627 1.00 22.12 H new ATOM 0 HB2 LEU A 81 0.976 4.431 4.755 1.00 1.11 H new ATOM 0 HB3 LEU A 81 2.366 3.753 3.930 1.00 1.11 H new ATOM 0 HG LEU A 81 -0.280 2.490 4.543 1.00 52.21 H new ATOM 0 HD11 LEU A 81 -0.162 1.961 2.100 1.00 2.25 H new ATOM 0 HD12 LEU A 81 -0.001 3.706 2.414 1.00 2.25 H new ATOM 0 HD13 LEU A 81 1.439 2.734 2.029 1.00 2.25 H new ATOM 0 HD21 LEU A 81 0.500 0.336 3.781 1.00 51.42 H new ATOM 0 HD22 LEU A 81 2.173 0.943 3.801 1.00 51.42 H new ATOM 0 HD23 LEU A 81 1.243 0.846 5.316 1.00 51.42 H new ATOM 1246 N LYS A 82 3.523 1.153 6.456 1.00 0.44 N ATOM 1247 CA LYS A 82 4.645 0.225 6.278 1.00 15.35 C ATOM 1248 C LYS A 82 4.131 -1.102 5.760 1.00 33.33 C ATOM 1249 O LYS A 82 3.081 -1.578 6.200 1.00 22.25 O ATOM 1250 CB LYS A 82 5.406 -0.046 7.581 1.00 41.12 C ATOM 1251 CG LYS A 82 5.756 1.194 8.424 1.00 32.12 C ATOM 1252 CD LYS A 82 6.139 0.757 9.843 1.00 23.21 C ATOM 1253 CE LYS A 82 6.129 1.920 10.839 1.00 75.43 C ATOM 1254 NZ LYS A 82 6.442 1.452 12.207 1.00 20.33 N ATOM 0 H LYS A 82 2.783 0.801 7.064 1.00 0.44 H new ATOM 0 HA LYS A 82 5.328 0.697 5.571 1.00 15.35 H new ATOM 0 HB2 LYS A 82 4.810 -0.722 8.194 1.00 41.12 H new ATOM 0 HB3 LYS A 82 6.331 -0.569 7.337 1.00 41.12 H new ATOM 0 HG2 LYS A 82 6.581 1.738 7.965 1.00 32.12 H new ATOM 0 HG3 LYS A 82 4.906 1.875 8.459 1.00 32.12 H new ATOM 0 HD2 LYS A 82 5.446 -0.013 10.182 1.00 23.21 H new ATOM 0 HD3 LYS A 82 7.132 0.307 9.825 1.00 23.21 H new ATOM 0 HE2 LYS A 82 6.857 2.671 10.533 1.00 75.43 H new ATOM 0 HE3 LYS A 82 5.151 2.402 10.831 1.00 75.43 H new ATOM 0 HZ1 LYS A 82 6.429 2.260 12.862 1.00 20.33 H new ATOM 0 HZ2 LYS A 82 5.733 0.753 12.505 1.00 20.33 H new ATOM 0 HZ3 LYS A 82 7.385 1.014 12.217 1.00 20.33 H new ATOM 1268 N VAL A 83 4.929 -1.752 4.927 1.00 60.41 N ATOM 1269 CA VAL A 83 4.629 -2.998 4.249 1.00 35.52 C ATOM 1270 C VAL A 83 5.828 -3.923 4.425 1.00 33.41 C ATOM 1271 O VAL A 83 6.943 -3.502 4.126 1.00 23.14 O ATOM 1272 CB VAL A 83 4.375 -2.663 2.762 1.00 22.54 C ATOM 1273 CG1 VAL A 83 4.414 -3.918 1.893 1.00 20.14 C ATOM 1274 CG2 VAL A 83 3.032 -1.946 2.600 1.00 42.24 C ATOM 0 H VAL A 83 5.858 -1.401 4.694 1.00 60.41 H new ATOM 0 HA VAL A 83 3.748 -3.497 4.652 1.00 35.52 H new ATOM 0 HB VAL A 83 5.173 -2.000 2.428 1.00 22.54 H new ATOM 0 HG11 VAL A 83 4.232 -3.646 0.853 1.00 20.14 H new ATOM 0 HG12 VAL A 83 5.393 -4.389 1.978 1.00 20.14 H new ATOM 0 HG13 VAL A 83 3.645 -4.615 2.226 1.00 20.14 H new ATOM 0 HG21 VAL A 83 2.867 -1.716 1.547 1.00 42.24 H new ATOM 0 HG22 VAL A 83 2.230 -2.590 2.961 1.00 42.24 H new ATOM 0 HG23 VAL A 83 3.042 -1.021 3.176 1.00 42.24 H new ATOM 1284 N ILE A 84 5.626 -5.174 4.849 1.00 71.13 N ATOM 1285 CA ILE A 84 6.645 -6.220 4.829 1.00 53.02 C ATOM 1286 C ILE A 84 6.108 -7.423 4.044 1.00 64.30 C ATOM 1287 O ILE A 84 4.973 -7.858 4.263 1.00 11.02 O ATOM 1288 CB ILE A 84 7.066 -6.540 6.280 1.00 12.35 C ATOM 1289 CG1 ILE A 84 7.752 -5.302 6.912 1.00 51.01 C ATOM 1290 CG2 ILE A 84 8.023 -7.743 6.338 1.00 14.24 C ATOM 1291 CD1 ILE A 84 6.842 -4.449 7.799 1.00 54.20 C ATOM 0 H ILE A 84 4.731 -5.491 5.222 1.00 71.13 H new ATOM 0 HA ILE A 84 7.550 -5.898 4.314 1.00 53.02 H new ATOM 0 HB ILE A 84 6.167 -6.794 6.841 1.00 12.35 H new ATOM 0 HG12 ILE A 84 8.603 -5.638 7.505 1.00 51.01 H new ATOM 0 HG13 ILE A 84 8.148 -4.676 6.113 1.00 51.01 H new ATOM 0 HG21 ILE A 84 8.298 -7.939 7.374 1.00 14.24 H new ATOM 0 HG22 ILE A 84 7.530 -8.621 5.921 1.00 14.24 H new ATOM 0 HG23 ILE A 84 8.920 -7.522 5.760 1.00 14.24 H new ATOM 0 HD11 ILE A 84 7.408 -3.606 8.197 1.00 54.20 H new ATOM 0 HD12 ILE A 84 6.004 -4.077 7.210 1.00 54.20 H new ATOM 0 HD13 ILE A 84 6.466 -5.055 8.623 1.00 54.20 H new ATOM 1303 N ILE A 85 6.919 -7.968 3.129 1.00 73.23 N ATOM 1304 CA ILE A 85 6.558 -9.036 2.190 1.00 15.32 C ATOM 1305 C ILE A 85 7.514 -10.216 2.414 1.00 4.04 C ATOM 1306 O ILE A 85 8.716 -9.995 2.558 1.00 44.23 O ATOM 1307 CB ILE A 85 6.630 -8.501 0.735 1.00 22.52 C ATOM 1308 CG1 ILE A 85 5.948 -7.116 0.616 1.00 34.23 C ATOM 1309 CG2 ILE A 85 6.000 -9.526 -0.230 1.00 12.25 C ATOM 1310 CD1 ILE A 85 5.921 -6.511 -0.785 1.00 74.31 C ATOM 0 H ILE A 85 7.886 -7.663 3.018 1.00 73.23 H new ATOM 0 HA ILE A 85 5.536 -9.375 2.359 1.00 15.32 H new ATOM 0 HB ILE A 85 7.676 -8.367 0.460 1.00 22.52 H new ATOM 0 HG12 ILE A 85 4.922 -7.204 0.974 1.00 34.23 H new ATOM 0 HG13 ILE A 85 6.459 -6.421 1.282 1.00 34.23 H new ATOM 0 HG21 ILE A 85 6.053 -9.146 -1.250 1.00 12.25 H new ATOM 0 HG22 ILE A 85 6.544 -10.468 -0.165 1.00 12.25 H new ATOM 0 HG23 ILE A 85 4.957 -9.689 0.043 1.00 12.25 H new ATOM 0 HD11 ILE A 85 5.421 -5.543 -0.754 1.00 74.31 H new ATOM 0 HD12 ILE A 85 6.942 -6.381 -1.145 1.00 74.31 H new ATOM 0 HD13 ILE A 85 5.381 -7.176 -1.458 1.00 74.31 H new ATOM 1322 N ASN A 86 6.996 -11.450 2.461 1.00 53.30 N ATOM 1323 CA ASN A 86 7.795 -12.671 2.629 1.00 64.24 C ATOM 1324 C ASN A 86 8.237 -13.238 1.283 1.00 23.42 C ATOM 1325 O ASN A 86 7.744 -12.846 0.222 1.00 24.32 O ATOM 1326 CB ASN A 86 7.019 -13.762 3.399 1.00 42.21 C ATOM 1327 CG ASN A 86 7.245 -13.720 4.902 1.00 33.31 C ATOM 1328 OD1 ASN A 86 7.591 -14.724 5.510 1.00 24.25 O ATOM 1329 ND2 ASN A 86 7.057 -12.576 5.533 1.00 74.14 N ATOM 0 H ASN A 86 5.995 -11.631 2.382 1.00 53.30 H new ATOM 0 HA ASN A 86 8.674 -12.385 3.207 1.00 64.24 H new ATOM 0 HB2 ASN A 86 5.954 -13.651 3.196 1.00 42.21 H new ATOM 0 HB3 ASN A 86 7.314 -14.741 3.022 1.00 42.21 H new ATOM 0 HD21 ASN A 86 7.200 -12.520 6.541 1.00 74.14 H new ATOM 0 HD22 ASN A 86 6.769 -11.748 5.012 1.00 74.14 H new ATOM 1336 N ARG A 87 9.125 -14.228 1.357 1.00 53.23 N ATOM 1337 CA ARG A 87 9.704 -14.944 0.235 1.00 23.53 C ATOM 1338 C ARG A 87 8.690 -15.905 -0.372 1.00 23.31 C ATOM 1339 O ARG A 87 7.990 -16.631 0.342 1.00 71.22 O ATOM 1340 CB ARG A 87 11.002 -15.608 0.736 1.00 52.30 C ATOM 1341 CG ARG A 87 11.658 -16.553 -0.271 1.00 44.23 C ATOM 1342 CD ARG A 87 11.206 -18.001 -0.046 1.00 12.25 C ATOM 1343 NE ARG A 87 12.309 -18.837 0.435 1.00 52.21 N ATOM 1344 CZ ARG A 87 12.226 -19.792 1.363 1.00 15.04 C ATOM 1345 NH1 ARG A 87 11.099 -20.026 2.032 1.00 12.01 N ATOM 1346 NH2 ARG A 87 13.285 -20.544 1.618 1.00 4.22 N ATOM 0 H ARG A 87 9.475 -14.566 2.253 1.00 53.23 H new ATOM 0 HA ARG A 87 9.965 -14.277 -0.586 1.00 23.53 H new ATOM 0 HB2 ARG A 87 11.715 -14.828 1.002 1.00 52.30 H new ATOM 0 HB3 ARG A 87 10.783 -16.164 1.648 1.00 52.30 H new ATOM 0 HG2 ARG A 87 11.403 -16.243 -1.284 1.00 44.23 H new ATOM 0 HG3 ARG A 87 12.742 -16.489 -0.181 1.00 44.23 H new ATOM 0 HD2 ARG A 87 10.390 -18.021 0.677 1.00 12.25 H new ATOM 0 HD3 ARG A 87 10.816 -18.411 -0.978 1.00 12.25 H new ATOM 0 HE ARG A 87 13.227 -18.673 0.021 1.00 52.21 H new ATOM 0 HH11 ARG A 87 10.267 -19.468 1.841 1.00 12.01 H new ATOM 0 HH12 ARG A 87 11.067 -20.764 2.736 1.00 12.01 H new ATOM 0 HH21 ARG A 87 14.154 -20.391 1.107 1.00 4.22 H new ATOM 0 HH22 ARG A 87 13.232 -21.277 2.326 1.00 4.22 H new ATOM 1360 N ASN A 88 8.629 -15.921 -1.703 1.00 35.34 N ATOM 1361 CA ASN A 88 7.832 -16.861 -2.469 1.00 40.22 C ATOM 1362 C ASN A 88 8.557 -18.194 -2.516 1.00 43.20 C ATOM 1363 O ASN A 88 9.711 -18.254 -2.932 1.00 73.22 O ATOM 1364 CB ASN A 88 7.596 -16.356 -3.905 1.00 74.30 C ATOM 1365 CG ASN A 88 6.524 -17.148 -4.647 1.00 41.23 C ATOM 1366 OD1 ASN A 88 5.914 -18.075 -4.115 1.00 33.22 O ATOM 1367 ND2 ASN A 88 6.227 -16.766 -5.874 1.00 12.44 N ATOM 0 H ASN A 88 9.146 -15.263 -2.286 1.00 35.34 H new ATOM 0 HA ASN A 88 6.861 -16.969 -1.985 1.00 40.22 H new ATOM 0 HB2 ASN A 88 7.306 -15.306 -3.872 1.00 74.30 H new ATOM 0 HB3 ASN A 88 8.531 -16.411 -4.462 1.00 74.30 H new ATOM 0 HD21 ASN A 88 5.486 -17.240 -6.390 1.00 12.44 H new ATOM 0 HD22 ASN A 88 6.738 -15.997 -6.306 1.00 12.44 H new ATOM 1374 N GLU A 89 7.875 -19.259 -2.118 1.00 62.12 N ATOM 1375 CA GLU A 89 8.352 -20.641 -2.114 1.00 73.40 C ATOM 1376 C GLU A 89 7.554 -21.489 -3.119 1.00 33.54 C ATOM 1377 O GLU A 89 7.497 -22.717 -3.007 1.00 54.22 O ATOM 1378 CB GLU A 89 8.267 -21.182 -0.679 1.00 22.13 C ATOM 1379 CG GLU A 89 6.816 -21.205 -0.177 1.00 34.13 C ATOM 1380 CD GLU A 89 6.714 -21.658 1.270 1.00 60.40 C ATOM 1381 OE1 GLU A 89 6.781 -22.890 1.503 1.00 54.20 O ATOM 1382 OE2 GLU A 89 6.421 -20.785 2.124 1.00 43.04 O ATOM 0 H GLU A 89 6.920 -19.181 -1.769 1.00 62.12 H new ATOM 0 HA GLU A 89 9.392 -20.689 -2.435 1.00 73.40 H new ATOM 0 HB2 GLU A 89 8.683 -22.189 -0.642 1.00 22.13 H new ATOM 0 HB3 GLU A 89 8.873 -20.563 -0.018 1.00 22.13 H new ATOM 0 HG2 GLU A 89 6.384 -20.209 -0.275 1.00 34.13 H new ATOM 0 HG3 GLU A 89 6.226 -21.871 -0.807 1.00 34.13 H new ATOM 1389 N THR A 90 6.879 -20.835 -4.068 1.00 35.14 N ATOM 1390 CA THR A 90 6.173 -21.493 -5.148 1.00 51.33 C ATOM 1391 C THR A 90 6.638 -20.931 -6.486 1.00 43.42 C ATOM 1392 O THR A 90 6.811 -19.724 -6.666 1.00 33.53 O ATOM 1393 CB THR A 90 4.645 -21.428 -4.951 1.00 3.11 C ATOM 1394 OG1 THR A 90 4.139 -20.132 -4.669 1.00 20.44 O ATOM 1395 CG2 THR A 90 4.235 -22.350 -3.802 1.00 20.21 C ATOM 0 H THR A 90 6.812 -19.818 -4.100 1.00 35.14 H new ATOM 0 HA THR A 90 6.417 -22.555 -5.142 1.00 51.33 H new ATOM 0 HB THR A 90 4.220 -21.739 -5.905 1.00 3.11 H new ATOM 0 HG1 THR A 90 4.885 -19.514 -4.525 1.00 20.44 H new ATOM 0 HG21 THR A 90 3.155 -22.302 -3.665 1.00 20.21 H new ATOM 0 HG22 THR A 90 4.526 -23.374 -4.036 1.00 20.21 H new ATOM 0 HG23 THR A 90 4.732 -22.032 -2.885 1.00 20.21 H new ATOM 1403 N ASN A 91 6.792 -21.838 -7.439 1.00 14.35 N ATOM 1404 CA ASN A 91 7.118 -21.674 -8.848 1.00 74.21 C ATOM 1405 C ASN A 91 6.038 -20.932 -9.658 1.00 53.30 C ATOM 1406 O ASN A 91 5.972 -21.098 -10.872 1.00 4.44 O ATOM 1407 CB ASN A 91 7.431 -23.065 -9.430 1.00 13.11 C ATOM 1408 CG ASN A 91 6.264 -24.034 -9.351 1.00 22.42 C ATOM 1409 OD1 ASN A 91 6.102 -24.696 -8.220 1.00 73.34 O flip ATOM 1410 ND2 ASN A 91 5.514 -24.223 -10.303 1.00 3.04 N flip ATOM 0 H ASN A 91 6.677 -22.826 -7.215 1.00 14.35 H new ATOM 0 HA ASN A 91 7.992 -21.027 -8.926 1.00 74.21 H new ATOM 0 HB2 ASN A 91 7.731 -22.955 -10.472 1.00 13.11 H new ATOM 0 HB3 ASN A 91 8.282 -23.490 -8.897 1.00 13.11 H new ATOM 0 HD21 ASN A 91 5.651 -23.705 -11.171 1.00 3.04 H new ATOM 0 HD22 ASN A 91 4.754 -24.899 -10.227 1.00 3.04 H new ATOM 1417 N ALA A 92 5.202 -20.106 -9.016 1.00 2.42 N ATOM 1418 CA ALA A 92 4.176 -19.285 -9.650 1.00 4.43 C ATOM 1419 C ALA A 92 4.206 -17.874 -9.049 1.00 35.54 C ATOM 1420 O ALA A 92 4.299 -17.736 -7.825 1.00 43.30 O ATOM 1421 CB ALA A 92 2.809 -19.948 -9.458 1.00 24.34 C ATOM 0 H ALA A 92 5.227 -19.991 -8.003 1.00 2.42 H new ATOM 0 HA ALA A 92 4.367 -19.200 -10.720 1.00 4.43 H new ATOM 0 HB1 ALA A 92 2.039 -19.338 -9.930 1.00 24.34 H new ATOM 0 HB2 ALA A 92 2.818 -20.938 -9.914 1.00 24.34 H new ATOM 0 HB3 ALA A 92 2.596 -20.041 -8.393 1.00 24.34 H new ATOM 1427 N SER A 93 4.131 -16.833 -9.882 1.00 52.12 N ATOM 1428 CA SER A 93 4.242 -15.441 -9.508 1.00 72.34 C ATOM 1429 C SER A 93 2.857 -14.874 -9.206 1.00 31.15 C ATOM 1430 O SER A 93 1.933 -14.980 -10.025 1.00 30.12 O ATOM 1431 CB SER A 93 4.902 -14.665 -10.647 1.00 3.21 C ATOM 1432 OG SER A 93 4.591 -15.071 -11.972 1.00 12.44 O ATOM 0 H SER A 93 3.984 -16.956 -10.884 1.00 52.12 H new ATOM 0 HA SER A 93 4.856 -15.348 -8.612 1.00 72.34 H new ATOM 0 HB2 SER A 93 4.630 -13.615 -10.543 1.00 3.21 H new ATOM 0 HB3 SER A 93 5.982 -14.729 -10.518 1.00 3.21 H new ATOM 0 HG SER A 93 5.070 -14.501 -12.610 1.00 12.44 H new ATOM 1438 N ARG A 94 2.709 -14.251 -8.039 1.00 62.32 N ATOM 1439 CA ARG A 94 1.424 -13.795 -7.512 1.00 34.33 C ATOM 1440 C ARG A 94 1.375 -12.272 -7.525 1.00 45.30 C ATOM 1441 O ARG A 94 2.409 -11.619 -7.625 1.00 30.15 O ATOM 1442 CB ARG A 94 1.141 -14.431 -6.135 1.00 41.13 C ATOM 1443 CG ARG A 94 2.323 -14.541 -5.142 1.00 43.31 C ATOM 1444 CD ARG A 94 2.789 -15.989 -4.894 1.00 73.32 C ATOM 1445 NE ARG A 94 1.703 -16.817 -4.333 1.00 60.42 N ATOM 1446 CZ ARG A 94 1.219 -16.768 -3.084 1.00 71.11 C ATOM 1447 NH1 ARG A 94 1.909 -16.188 -2.102 1.00 61.22 N ATOM 1448 NH2 ARG A 94 0.017 -17.281 -2.833 1.00 51.21 N ATOM 0 H ARG A 94 3.494 -14.045 -7.421 1.00 62.32 H new ATOM 0 HA ARG A 94 0.610 -14.133 -8.154 1.00 34.33 H new ATOM 0 HB2 ARG A 94 0.351 -13.855 -5.654 1.00 41.13 H new ATOM 0 HB3 ARG A 94 0.748 -15.434 -6.302 1.00 41.13 H new ATOM 0 HG2 ARG A 94 3.162 -13.959 -5.523 1.00 43.31 H new ATOM 0 HG3 ARG A 94 2.031 -14.095 -4.192 1.00 43.31 H new ATOM 0 HD2 ARG A 94 3.135 -16.427 -5.830 1.00 73.32 H new ATOM 0 HD3 ARG A 94 3.638 -15.987 -4.210 1.00 73.32 H new ATOM 0 HE ARG A 94 1.276 -17.498 -4.962 1.00 60.42 H new ATOM 0 HH11 ARG A 94 2.820 -15.773 -2.295 1.00 61.22 H new ATOM 0 HH12 ARG A 94 1.526 -16.160 -1.157 1.00 61.22 H new ATOM 0 HH21 ARG A 94 -0.524 -17.705 -3.587 1.00 51.21 H new ATOM 0 HH22 ARG A 94 -0.363 -17.250 -1.887 1.00 51.21 H new ATOM 1462 N SER A 95 0.191 -11.673 -7.430 1.00 31.54 N ATOM 1463 CA SER A 95 0.049 -10.223 -7.375 1.00 22.21 C ATOM 1464 C SER A 95 -1.038 -9.854 -6.371 1.00 72.34 C ATOM 1465 O SER A 95 -1.944 -10.654 -6.114 1.00 4.25 O ATOM 1466 CB SER A 95 -0.249 -9.626 -8.758 1.00 72.11 C ATOM 1467 OG SER A 95 -0.966 -10.491 -9.631 1.00 54.02 O ATOM 0 H SER A 95 -0.694 -12.178 -7.389 1.00 31.54 H new ATOM 0 HA SER A 95 0.997 -9.797 -7.047 1.00 22.21 H new ATOM 0 HB2 SER A 95 -0.820 -8.707 -8.628 1.00 72.11 H new ATOM 0 HB3 SER A 95 0.693 -9.351 -9.232 1.00 72.11 H new ATOM 0 HG SER A 95 -1.118 -10.039 -10.487 1.00 54.02 H new ATOM 1473 N PHE A 96 -0.977 -8.632 -5.849 1.00 62.43 N ATOM 1474 CA PHE A 96 -1.960 -8.052 -4.952 1.00 45.12 C ATOM 1475 C PHE A 96 -2.088 -6.546 -5.237 1.00 13.23 C ATOM 1476 O PHE A 96 -1.420 -5.986 -6.115 1.00 44.23 O ATOM 1477 CB PHE A 96 -1.592 -8.392 -3.494 1.00 70.54 C ATOM 1478 CG PHE A 96 -0.238 -7.946 -3.006 1.00 73.11 C ATOM 1479 CD1 PHE A 96 0.901 -8.726 -3.263 1.00 65.51 C ATOM 1480 CD2 PHE A 96 -0.131 -6.777 -2.236 1.00 74.33 C ATOM 1481 CE1 PHE A 96 2.153 -8.341 -2.758 1.00 21.42 C ATOM 1482 CE2 PHE A 96 1.117 -6.391 -1.741 1.00 5.35 C ATOM 1483 CZ PHE A 96 2.256 -7.177 -1.984 1.00 74.44 C ATOM 0 H PHE A 96 -0.206 -7.995 -6.051 1.00 62.43 H new ATOM 0 HA PHE A 96 -2.949 -8.478 -5.121 1.00 45.12 H new ATOM 0 HB2 PHE A 96 -2.348 -7.953 -2.843 1.00 70.54 H new ATOM 0 HB3 PHE A 96 -1.656 -9.473 -3.372 1.00 70.54 H new ATOM 0 HD1 PHE A 96 0.813 -9.627 -3.852 1.00 65.51 H new ATOM 0 HD2 PHE A 96 -1.007 -6.181 -2.028 1.00 74.33 H new ATOM 0 HE1 PHE A 96 3.030 -8.937 -2.964 1.00 21.42 H new ATOM 0 HE2 PHE A 96 1.207 -5.481 -1.167 1.00 5.35 H new ATOM 0 HZ PHE A 96 3.211 -6.884 -1.574 1.00 74.44 H new ATOM 1493 N THR A 97 -3.000 -5.856 -4.558 1.00 33.52 N ATOM 1494 CA THR A 97 -3.177 -4.414 -4.703 1.00 74.14 C ATOM 1495 C THR A 97 -3.607 -3.852 -3.364 1.00 52.25 C ATOM 1496 O THR A 97 -4.420 -4.462 -2.666 1.00 33.23 O ATOM 1497 CB THR A 97 -4.213 -4.102 -5.795 1.00 34.23 C ATOM 1498 OG1 THR A 97 -3.804 -4.745 -6.997 1.00 53.02 O ATOM 1499 CG2 THR A 97 -4.368 -2.611 -6.094 1.00 61.12 C ATOM 0 H THR A 97 -3.640 -6.283 -3.889 1.00 33.52 H new ATOM 0 HA THR A 97 -2.239 -3.950 -5.009 1.00 74.14 H new ATOM 0 HB THR A 97 -5.174 -4.460 -5.426 1.00 34.23 H new ATOM 0 HG1 THR A 97 -4.116 -4.227 -7.768 1.00 53.02 H new ATOM 0 HG21 THR A 97 -5.116 -2.472 -6.874 1.00 61.12 H new ATOM 0 HG22 THR A 97 -4.685 -2.090 -5.191 1.00 61.12 H new ATOM 0 HG23 THR A 97 -3.413 -2.206 -6.430 1.00 61.12 H new ATOM 1507 N VAL A 98 -3.062 -2.683 -3.054 1.00 70.12 N ATOM 1508 CA VAL A 98 -3.319 -1.916 -1.861 1.00 25.50 C ATOM 1509 C VAL A 98 -3.979 -0.643 -2.356 1.00 13.22 C ATOM 1510 O VAL A 98 -3.392 0.061 -3.177 1.00 32.34 O ATOM 1511 CB VAL A 98 -1.972 -1.647 -1.168 1.00 41.02 C ATOM 1512 CG1 VAL A 98 -2.043 -0.614 -0.033 1.00 70.32 C ATOM 1513 CG2 VAL A 98 -1.396 -2.964 -0.627 1.00 10.31 C ATOM 0 H VAL A 98 -2.390 -2.226 -3.671 1.00 70.12 H new ATOM 0 HA VAL A 98 -3.959 -2.415 -1.133 1.00 25.50 H new ATOM 0 HB VAL A 98 -1.321 -1.219 -1.930 1.00 41.02 H new ATOM 0 HG11 VAL A 98 -1.052 -0.483 0.402 1.00 70.32 H new ATOM 0 HG12 VAL A 98 -2.394 0.339 -0.430 1.00 70.32 H new ATOM 0 HG13 VAL A 98 -2.733 -0.964 0.735 1.00 70.32 H new ATOM 0 HG21 VAL A 98 -0.442 -2.770 -0.137 1.00 10.31 H new ATOM 0 HG22 VAL A 98 -2.092 -3.397 0.092 1.00 10.31 H new ATOM 0 HG23 VAL A 98 -1.245 -3.661 -1.451 1.00 10.31 H new ATOM 1523 N CYS A 99 -5.182 -0.343 -1.878 1.00 44.24 N ATOM 1524 CA CYS A 99 -5.726 1.000 -1.942 1.00 32.11 C ATOM 1525 C CYS A 99 -5.885 1.509 -0.516 1.00 25.21 C ATOM 1526 O CYS A 99 -6.226 0.745 0.397 1.00 62.55 O ATOM 1527 CB CYS A 99 -7.042 1.020 -2.727 1.00 11.23 C ATOM 1528 SG CYS A 99 -8.282 -0.106 -2.017 1.00 45.45 S ATOM 0 H CYS A 99 -5.801 -1.024 -1.438 1.00 44.24 H new ATOM 0 HA CYS A 99 -5.050 1.665 -2.480 1.00 32.11 H new ATOM 0 HB2 CYS A 99 -7.440 2.035 -2.740 1.00 11.23 H new ATOM 0 HB3 CYS A 99 -6.850 0.740 -3.763 1.00 11.23 H new ATOM 0 HG CYS A 99 -7.724 -0.848 -1.107 1.00 45.45 H new ATOM 1534 N VAL A 100 -5.718 2.806 -0.316 1.00 11.30 N ATOM 1535 CA VAL A 100 -6.085 3.461 0.925 1.00 2.43 C ATOM 1536 C VAL A 100 -6.973 4.644 0.578 1.00 73.24 C ATOM 1537 O VAL A 100 -6.845 5.196 -0.512 1.00 51.21 O ATOM 1538 CB VAL A 100 -4.842 3.855 1.751 1.00 63.33 C ATOM 1539 CG1 VAL A 100 -3.971 2.633 2.079 1.00 73.25 C ATOM 1540 CG2 VAL A 100 -3.971 4.929 1.095 1.00 73.24 C ATOM 0 H VAL A 100 -5.322 3.435 -1.014 1.00 11.30 H new ATOM 0 HA VAL A 100 -6.640 2.779 1.568 1.00 2.43 H new ATOM 0 HB VAL A 100 -5.247 4.282 2.669 1.00 63.33 H new ATOM 0 HG11 VAL A 100 -3.105 2.949 2.661 1.00 73.25 H new ATOM 0 HG12 VAL A 100 -4.554 1.915 2.656 1.00 73.25 H new ATOM 0 HG13 VAL A 100 -3.635 2.167 1.153 1.00 73.25 H new ATOM 0 HG21 VAL A 100 -3.119 5.149 1.738 1.00 73.24 H new ATOM 0 HG22 VAL A 100 -3.614 4.569 0.130 1.00 73.24 H new ATOM 0 HG23 VAL A 100 -4.559 5.835 0.949 1.00 73.24 H new ATOM 1550 N GLU A 101 -7.834 5.040 1.508 1.00 10.02 N ATOM 1551 CA GLU A 101 -8.588 6.283 1.442 1.00 31.12 C ATOM 1552 C GLU A 101 -8.234 7.041 2.721 1.00 3.13 C ATOM 1553 O GLU A 101 -7.958 6.413 3.751 1.00 51.31 O ATOM 1554 CB GLU A 101 -10.087 5.972 1.288 1.00 25.40 C ATOM 1555 CG GLU A 101 -11.012 7.181 1.069 1.00 13.11 C ATOM 1556 CD GLU A 101 -12.496 6.861 1.316 1.00 70.44 C ATOM 1557 OE1 GLU A 101 -12.921 5.685 1.157 1.00 44.22 O ATOM 1558 OE2 GLU A 101 -13.231 7.782 1.729 1.00 33.13 O ATOM 0 H GLU A 101 -8.031 4.493 2.346 1.00 10.02 H new ATOM 0 HA GLU A 101 -8.340 6.901 0.579 1.00 31.12 H new ATOM 0 HB2 GLU A 101 -10.211 5.289 0.447 1.00 25.40 H new ATOM 0 HB3 GLU A 101 -10.421 5.443 2.180 1.00 25.40 H new ATOM 0 HG2 GLU A 101 -10.706 7.989 1.733 1.00 13.11 H new ATOM 0 HG3 GLU A 101 -10.890 7.543 0.048 1.00 13.11 H new ATOM 1565 N ALA A 102 -8.240 8.370 2.656 1.00 5.33 N ATOM 1566 CA ALA A 102 -7.695 9.323 3.609 1.00 5.13 C ATOM 1567 C ALA A 102 -8.676 10.468 3.906 1.00 54.22 C ATOM 1568 O ALA A 102 -8.262 11.616 4.063 1.00 12.10 O ATOM 1569 CB ALA A 102 -6.366 9.849 3.051 1.00 4.01 C ATOM 0 H ALA A 102 -8.666 8.847 1.861 1.00 5.33 H new ATOM 0 HA ALA A 102 -7.525 8.824 4.563 1.00 5.13 H new ATOM 0 HB1 ALA A 102 -5.937 10.567 3.750 1.00 4.01 H new ATOM 0 HB2 ALA A 102 -5.674 9.018 2.914 1.00 4.01 H new ATOM 0 HB3 ALA A 102 -6.541 10.336 2.092 1.00 4.01 H new ATOM 1575 N GLY A 103 -9.982 10.209 3.919 1.00 13.04 N ATOM 1576 CA GLY A 103 -10.986 11.213 4.251 1.00 41.43 C ATOM 1577 C GLY A 103 -11.433 11.977 3.015 1.00 31.11 C ATOM 1578 O GLY A 103 -12.597 11.870 2.623 1.00 13.33 O ATOM 0 H GLY A 103 -10.373 9.293 3.699 1.00 13.04 H new ATOM 0 HA2 GLY A 103 -11.847 10.730 4.714 1.00 41.43 H new ATOM 0 HA3 GLY A 103 -10.579 11.909 4.984 1.00 41.43 H new ATOM 1582 N ASN A 104 -10.523 12.721 2.379 1.00 24.11 N ATOM 1583 CA ASN A 104 -10.796 13.461 1.137 1.00 63.13 C ATOM 1584 C ASN A 104 -10.050 12.860 -0.060 1.00 13.30 C ATOM 1585 O ASN A 104 -10.279 13.273 -1.191 1.00 31.31 O ATOM 1586 CB ASN A 104 -10.496 14.968 1.289 1.00 72.21 C ATOM 1587 CG ASN A 104 -11.738 15.760 1.677 1.00 14.23 C ATOM 1588 OD1 ASN A 104 -12.427 16.338 0.846 1.00 4.52 O ATOM 1589 ND2 ASN A 104 -12.079 15.780 2.949 1.00 72.45 N ATOM 0 H ASN A 104 -9.565 12.829 2.713 1.00 24.11 H new ATOM 0 HA ASN A 104 -11.863 13.361 0.938 1.00 63.13 H new ATOM 0 HB2 ASN A 104 -9.724 15.110 2.046 1.00 72.21 H new ATOM 0 HB3 ASN A 104 -10.097 15.355 0.351 1.00 72.21 H new ATOM 0 HD21 ASN A 104 -12.919 16.278 3.244 1.00 72.45 H new ATOM 0 HD22 ASN A 104 -11.503 15.298 3.639 1.00 72.45 H new ATOM 1596 N ALA A 105 -9.196 11.856 0.121 1.00 41.12 N ATOM 1597 CA ALA A 105 -8.405 11.312 -0.975 1.00 63.23 C ATOM 1598 C ALA A 105 -8.393 9.803 -0.921 1.00 11.03 C ATOM 1599 O ALA A 105 -8.696 9.235 0.121 1.00 5.43 O ATOM 1600 CB ALA A 105 -6.987 11.862 -0.855 1.00 4.40 C ATOM 0 H ALA A 105 -9.035 11.402 1.020 1.00 41.12 H new ATOM 0 HA ALA A 105 -8.840 11.605 -1.931 1.00 63.23 H new ATOM 0 HB1 ALA A 105 -6.374 11.468 -1.666 1.00 4.40 H new ATOM 0 HB2 ALA A 105 -7.013 12.950 -0.915 1.00 4.40 H new ATOM 0 HB3 ALA A 105 -6.560 11.561 0.102 1.00 4.40 H new ATOM 1606 N PHE A 106 -7.970 9.168 -2.005 1.00 50.32 N ATOM 1607 CA PHE A 106 -7.543 7.786 -2.030 1.00 50.03 C ATOM 1608 C PHE A 106 -6.378 7.678 -3.006 1.00 51.01 C ATOM 1609 O PHE A 106 -6.182 8.562 -3.844 1.00 53.14 O ATOM 1610 CB PHE A 106 -8.720 6.857 -2.373 1.00 5.00 C ATOM 1611 CG PHE A 106 -9.568 7.269 -3.558 1.00 44.11 C ATOM 1612 CD1 PHE A 106 -10.583 8.225 -3.389 1.00 70.51 C ATOM 1613 CD2 PHE A 106 -9.358 6.692 -4.821 1.00 52.11 C ATOM 1614 CE1 PHE A 106 -11.329 8.650 -4.503 1.00 14.00 C ATOM 1615 CE2 PHE A 106 -10.140 7.078 -5.924 1.00 24.23 C ATOM 1616 CZ PHE A 106 -11.124 8.067 -5.765 1.00 33.14 C ATOM 0 H PHE A 106 -7.915 9.620 -2.918 1.00 50.32 H new ATOM 0 HA PHE A 106 -7.200 7.461 -1.048 1.00 50.03 H new ATOM 0 HB2 PHE A 106 -8.326 5.859 -2.563 1.00 5.00 H new ATOM 0 HB3 PHE A 106 -9.366 6.783 -1.498 1.00 5.00 H new ATOM 0 HD1 PHE A 106 -10.789 8.631 -2.410 1.00 70.51 H new ATOM 0 HD2 PHE A 106 -8.588 5.945 -4.946 1.00 52.11 H new ATOM 0 HE1 PHE A 106 -12.066 9.431 -4.387 1.00 14.00 H new ATOM 0 HE2 PHE A 106 -9.985 6.616 -6.888 1.00 24.23 H new ATOM 0 HZ PHE A 106 -11.721 8.378 -6.609 1.00 33.14 H new ATOM 1626 N ASP A 107 -5.577 6.631 -2.867 1.00 53.43 N ATOM 1627 CA ASP A 107 -4.438 6.340 -3.731 1.00 34.41 C ATOM 1628 C ASP A 107 -4.296 4.830 -3.717 1.00 1.11 C ATOM 1629 O ASP A 107 -4.545 4.194 -2.687 1.00 5.44 O ATOM 1630 CB ASP A 107 -3.164 7.010 -3.191 1.00 63.14 C ATOM 1631 CG ASP A 107 -2.080 7.291 -4.239 1.00 65.53 C ATOM 1632 OD1 ASP A 107 -2.134 6.807 -5.392 1.00 5.01 O ATOM 1633 OD2 ASP A 107 -1.179 8.099 -3.897 1.00 43.04 O ATOM 0 H ASP A 107 -5.704 5.939 -2.128 1.00 53.43 H new ATOM 0 HA ASP A 107 -4.588 6.722 -4.741 1.00 34.41 H new ATOM 0 HB2 ASP A 107 -3.441 7.951 -2.717 1.00 63.14 H new ATOM 0 HB3 ASP A 107 -2.740 6.374 -2.414 1.00 63.14 H new ATOM 1638 N GLU A 108 -3.914 4.239 -4.840 1.00 30.30 N ATOM 1639 CA GLU A 108 -3.804 2.797 -5.001 1.00 3.02 C ATOM 1640 C GLU A 108 -2.445 2.485 -5.590 1.00 45.03 C ATOM 1641 O GLU A 108 -1.976 3.184 -6.491 1.00 11.02 O ATOM 1642 CB GLU A 108 -4.954 2.275 -5.867 1.00 31.34 C ATOM 1643 CG GLU A 108 -4.913 0.767 -6.130 1.00 65.23 C ATOM 1644 CD GLU A 108 -6.166 0.315 -6.873 1.00 1.13 C ATOM 1645 OE1 GLU A 108 -6.229 0.508 -8.110 1.00 10.14 O ATOM 1646 OE2 GLU A 108 -7.091 -0.210 -6.217 1.00 41.22 O ATOM 0 H GLU A 108 -3.667 4.760 -5.682 1.00 30.30 H new ATOM 0 HA GLU A 108 -3.885 2.291 -4.039 1.00 3.02 H new ATOM 0 HB2 GLU A 108 -5.899 2.522 -5.382 1.00 31.34 H new ATOM 0 HB3 GLU A 108 -4.940 2.799 -6.823 1.00 31.34 H new ATOM 0 HG2 GLU A 108 -4.028 0.519 -6.715 1.00 65.23 H new ATOM 0 HG3 GLU A 108 -4.831 0.230 -5.185 1.00 65.23 H new ATOM 1653 N PHE A 109 -1.829 1.429 -5.076 1.00 14.00 N ATOM 1654 CA PHE A 109 -0.547 0.956 -5.533 1.00 34.11 C ATOM 1655 C PHE A 109 -0.619 -0.549 -5.727 1.00 54.41 C ATOM 1656 O PHE A 109 -1.037 -1.301 -4.837 1.00 54.42 O ATOM 1657 CB PHE A 109 0.541 1.329 -4.539 1.00 30.34 C ATOM 1658 CG PHE A 109 0.560 2.771 -4.087 1.00 14.04 C ATOM 1659 CD1 PHE A 109 0.964 3.775 -4.981 1.00 52.00 C ATOM 1660 CD2 PHE A 109 0.169 3.101 -2.777 1.00 23.25 C ATOM 1661 CE1 PHE A 109 0.973 5.113 -4.565 1.00 70.11 C ATOM 1662 CE2 PHE A 109 0.123 4.448 -2.386 1.00 70.52 C ATOM 1663 CZ PHE A 109 0.538 5.449 -3.277 1.00 3.05 C ATOM 0 H PHE A 109 -2.221 0.873 -4.316 1.00 14.00 H new ATOM 0 HA PHE A 109 -0.297 1.426 -6.484 1.00 34.11 H new ATOM 0 HB2 PHE A 109 0.434 0.695 -3.659 1.00 30.34 H new ATOM 0 HB3 PHE A 109 1.508 1.096 -4.985 1.00 30.34 H new ATOM 0 HD1 PHE A 109 1.267 3.517 -5.985 1.00 52.00 H new ATOM 0 HD2 PHE A 109 -0.094 2.323 -2.076 1.00 23.25 H new ATOM 0 HE1 PHE A 109 1.315 5.885 -5.238 1.00 70.11 H new ATOM 0 HE2 PHE A 109 -0.231 4.714 -1.401 1.00 70.52 H new ATOM 0 HZ PHE A 109 0.522 6.484 -2.968 1.00 3.05 H new ATOM 1673 N LYS A 110 -0.209 -1.003 -6.908 1.00 1.35 N ATOM 1674 CA LYS A 110 -0.109 -2.433 -7.158 1.00 61.21 C ATOM 1675 C LYS A 110 1.203 -2.958 -6.617 1.00 32.33 C ATOM 1676 O LYS A 110 2.217 -2.259 -6.667 1.00 43.12 O ATOM 1677 CB LYS A 110 -0.218 -2.718 -8.651 1.00 25.45 C ATOM 1678 CG LYS A 110 -1.647 -2.477 -9.132 1.00 5.05 C ATOM 1679 CD LYS A 110 -1.764 -2.946 -10.574 1.00 73.11 C ATOM 1680 CE LYS A 110 -3.202 -2.726 -11.028 1.00 2.24 C ATOM 1681 NZ LYS A 110 -3.674 -3.828 -11.880 1.00 10.10 N ATOM 0 H LYS A 110 0.055 -0.410 -7.695 1.00 1.35 H new ATOM 0 HA LYS A 110 -0.929 -2.940 -6.650 1.00 61.21 H new ATOM 0 HB2 LYS A 110 0.471 -2.078 -9.202 1.00 25.45 H new ATOM 0 HB3 LYS A 110 0.073 -3.749 -8.854 1.00 25.45 H new ATOM 0 HG2 LYS A 110 -2.354 -3.016 -8.501 1.00 5.05 H new ATOM 0 HG3 LYS A 110 -1.897 -1.419 -9.058 1.00 5.05 H new ATOM 0 HD2 LYS A 110 -1.075 -2.392 -11.211 1.00 73.11 H new ATOM 0 HD3 LYS A 110 -1.496 -4.000 -10.655 1.00 73.11 H new ATOM 0 HE2 LYS A 110 -3.850 -2.636 -10.156 1.00 2.24 H new ATOM 0 HE3 LYS A 110 -3.272 -1.786 -11.576 1.00 2.24 H new ATOM 0 HZ1 LYS A 110 -4.656 -3.646 -12.171 1.00 10.10 H new ATOM 0 HZ2 LYS A 110 -3.070 -3.898 -12.724 1.00 10.10 H new ATOM 0 HZ3 LYS A 110 -3.630 -4.721 -11.349 1.00 10.10 H new ATOM 1695 N PHE A 111 1.199 -4.209 -6.172 1.00 64.50 N ATOM 1696 CA PHE A 111 2.398 -4.955 -5.851 1.00 42.43 C ATOM 1697 C PHE A 111 2.314 -6.325 -6.499 1.00 22.22 C ATOM 1698 O PHE A 111 1.260 -6.962 -6.429 1.00 3.14 O ATOM 1699 CB PHE A 111 2.460 -5.212 -4.350 1.00 14.25 C ATOM 1700 CG PHE A 111 2.685 -4.065 -3.392 1.00 44.10 C ATOM 1701 CD1 PHE A 111 1.589 -3.323 -2.913 1.00 5.12 C ATOM 1702 CD2 PHE A 111 3.973 -3.810 -2.876 1.00 64.33 C ATOM 1703 CE1 PHE A 111 1.792 -2.328 -1.939 1.00 41.32 C ATOM 1704 CE2 PHE A 111 4.173 -2.823 -1.897 1.00 25.33 C ATOM 1705 CZ PHE A 111 3.080 -2.075 -1.433 1.00 23.22 C ATOM 0 H PHE A 111 0.341 -4.740 -6.023 1.00 64.50 H new ATOM 0 HA PHE A 111 3.261 -4.385 -6.195 1.00 42.43 H new ATOM 0 HB2 PHE A 111 1.524 -5.692 -4.065 1.00 14.25 H new ATOM 0 HB3 PHE A 111 3.255 -5.937 -4.179 1.00 14.25 H new ATOM 0 HD1 PHE A 111 0.596 -3.517 -3.292 1.00 5.12 H new ATOM 0 HD2 PHE A 111 4.815 -4.381 -3.238 1.00 64.33 H new ATOM 0 HE1 PHE A 111 0.952 -1.754 -1.577 1.00 41.32 H new ATOM 0 HE2 PHE A 111 5.162 -2.641 -1.504 1.00 25.33 H new ATOM 0 HZ PHE A 111 3.227 -1.306 -0.689 1.00 23.22 H new ATOM 1715 N VAL A 112 3.403 -6.840 -7.067 1.00 74.43 N ATOM 1716 CA VAL A 112 3.435 -8.174 -7.574 1.00 65.12 C ATOM 1717 C VAL A 112 4.737 -8.844 -7.126 1.00 51.21 C ATOM 1718 O VAL A 112 5.736 -8.158 -6.871 1.00 23.11 O ATOM 1719 CB VAL A 112 3.284 -8.054 -9.087 1.00 5.31 C ATOM 1720 CG1 VAL A 112 2.225 -7.055 -9.591 1.00 44.20 C ATOM 1721 CG2 VAL A 112 4.562 -7.781 -9.839 1.00 72.24 C ATOM 0 H VAL A 112 4.278 -6.329 -7.180 1.00 74.43 H new ATOM 0 HA VAL A 112 2.633 -8.807 -7.195 1.00 65.12 H new ATOM 0 HB VAL A 112 2.936 -9.063 -9.310 1.00 5.31 H new ATOM 0 HG11 VAL A 112 2.211 -7.059 -10.681 1.00 44.20 H new ATOM 0 HG12 VAL A 112 1.244 -7.344 -9.215 1.00 44.20 H new ATOM 0 HG13 VAL A 112 2.470 -6.054 -9.235 1.00 44.20 H new ATOM 0 HG21 VAL A 112 4.349 -7.713 -10.906 1.00 72.24 H new ATOM 0 HG22 VAL A 112 4.993 -6.841 -9.495 1.00 72.24 H new ATOM 0 HG23 VAL A 112 5.269 -8.591 -9.661 1.00 72.24 H new ATOM 1731 N GLN A 113 4.732 -10.171 -7.036 1.00 12.23 N ATOM 1732 CA GLN A 113 5.866 -10.963 -6.568 1.00 51.41 C ATOM 1733 C GLN A 113 6.192 -12.057 -7.576 1.00 51.04 C ATOM 1734 O GLN A 113 5.315 -12.837 -7.967 1.00 2.24 O ATOM 1735 CB GLN A 113 5.589 -11.533 -5.167 1.00 65.34 C ATOM 1736 CG GLN A 113 6.684 -12.527 -4.746 1.00 51.30 C ATOM 1737 CD GLN A 113 6.721 -12.777 -3.245 1.00 62.52 C ATOM 1738 OE1 GLN A 113 5.849 -13.451 -2.705 1.00 23.22 O ATOM 1739 NE2 GLN A 113 7.746 -12.297 -2.562 1.00 64.20 N ATOM 0 H GLN A 113 3.923 -10.738 -7.292 1.00 12.23 H new ATOM 0 HA GLN A 113 6.741 -10.319 -6.484 1.00 51.41 H new ATOM 0 HB2 GLN A 113 5.535 -10.719 -4.444 1.00 65.34 H new ATOM 0 HB3 GLN A 113 4.619 -12.031 -5.159 1.00 65.34 H new ATOM 0 HG2 GLN A 113 6.524 -13.474 -5.262 1.00 51.30 H new ATOM 0 HG3 GLN A 113 7.654 -12.148 -5.069 1.00 51.30 H new ATOM 0 HE21 GLN A 113 8.458 -11.739 -3.035 1.00 64.20 H new ATOM 0 HE22 GLN A 113 7.825 -12.484 -1.562 1.00 64.20 H new ATOM 1748 N ASP A 114 7.468 -12.111 -7.961 1.00 11.22 N ATOM 1749 CA ASP A 114 7.951 -13.078 -8.953 1.00 70.53 C ATOM 1750 C ASP A 114 7.895 -14.529 -8.455 1.00 70.14 C ATOM 1751 O ASP A 114 7.687 -14.795 -7.268 1.00 22.52 O ATOM 1752 CB ASP A 114 9.364 -12.728 -9.451 1.00 71.31 C ATOM 1753 CG ASP A 114 9.346 -12.338 -10.936 1.00 34.13 C ATOM 1754 OD1 ASP A 114 8.444 -11.602 -11.387 1.00 1.01 O ATOM 1755 OD2 ASP A 114 10.203 -12.858 -11.684 1.00 54.33 O ATOM 0 H ASP A 114 8.193 -11.491 -7.598 1.00 11.22 H new ATOM 0 HA ASP A 114 7.263 -13.005 -9.795 1.00 70.53 H new ATOM 0 HB2 ASP A 114 9.768 -11.905 -8.861 1.00 71.31 H new ATOM 0 HB3 ASP A 114 10.026 -13.581 -9.304 1.00 71.31 H new ATOM 1760 N ALA A 115 8.062 -15.484 -9.377 1.00 71.30 N ATOM 1761 CA ALA A 115 7.984 -16.915 -9.109 1.00 14.14 C ATOM 1762 C ALA A 115 9.319 -17.425 -8.581 1.00 33.43 C ATOM 1763 O ALA A 115 10.379 -16.941 -8.985 1.00 65.23 O ATOM 1764 CB ALA A 115 7.641 -17.654 -10.404 1.00 21.33 C ATOM 0 H ALA A 115 8.260 -15.272 -10.355 1.00 71.30 H new ATOM 0 HA ALA A 115 7.212 -17.094 -8.361 1.00 14.14 H new ATOM 0 HB1 ALA A 115 7.582 -18.724 -10.207 1.00 21.33 H new ATOM 0 HB2 ALA A 115 6.681 -17.301 -10.781 1.00 21.33 H new ATOM 0 HB3 ALA A 115 8.415 -17.464 -11.147 1.00 21.33 H new ATOM 1770 N ALA A 116 9.268 -18.428 -7.706 1.00 14.33 N ATOM 1771 CA ALA A 116 10.457 -18.984 -7.097 1.00 1.04 C ATOM 1772 C ALA A 116 11.099 -20.023 -8.008 1.00 4.45 C ATOM 1773 O ALA A 116 10.608 -21.139 -8.186 1.00 34.52 O ATOM 1774 CB ALA A 116 10.113 -19.581 -5.743 1.00 1.35 C ATOM 0 H ALA A 116 8.400 -18.871 -7.405 1.00 14.33 H new ATOM 0 HA ALA A 116 11.183 -18.184 -6.949 1.00 1.04 H new ATOM 0 HB1 ALA A 116 11.013 -19.998 -5.290 1.00 1.35 H new ATOM 0 HB2 ALA A 116 9.707 -18.804 -5.095 1.00 1.35 H new ATOM 0 HB3 ALA A 116 9.372 -20.370 -5.871 1.00 1.35 H new ATOM 1780 N LYS A 117 12.239 -19.640 -8.562 1.00 31.31 N ATOM 1781 CA LYS A 117 13.053 -20.472 -9.426 1.00 40.40 C ATOM 1782 C LYS A 117 14.004 -21.259 -8.541 1.00 24.11 C ATOM 1783 O LYS A 117 15.138 -20.830 -8.310 1.00 35.11 O ATOM 1784 CB LYS A 117 13.735 -19.556 -10.439 1.00 25.25 C ATOM 1785 CG LYS A 117 14.522 -20.343 -11.492 1.00 45.44 C ATOM 1786 CD LYS A 117 14.922 -19.418 -12.644 1.00 1.35 C ATOM 1787 CE LYS A 117 15.995 -20.101 -13.488 1.00 65.44 C ATOM 1788 NZ LYS A 117 16.396 -19.269 -14.636 1.00 3.25 N ATOM 0 H LYS A 117 12.633 -18.711 -8.416 1.00 31.31 H new ATOM 0 HA LYS A 117 12.483 -21.203 -10.000 1.00 40.40 H new ATOM 0 HB2 LYS A 117 12.983 -18.941 -10.934 1.00 25.25 H new ATOM 0 HB3 LYS A 117 14.409 -18.877 -9.917 1.00 25.25 H new ATOM 0 HG2 LYS A 117 15.412 -20.781 -11.041 1.00 45.44 H new ATOM 0 HG3 LYS A 117 13.917 -21.167 -11.870 1.00 45.44 H new ATOM 0 HD2 LYS A 117 14.052 -19.186 -13.259 1.00 1.35 H new ATOM 0 HD3 LYS A 117 15.297 -18.472 -12.253 1.00 1.35 H new ATOM 0 HE2 LYS A 117 16.867 -20.311 -12.868 1.00 65.44 H new ATOM 0 HE3 LYS A 117 15.621 -21.060 -13.846 1.00 65.44 H new ATOM 0 HZ1 LYS A 117 17.126 -19.765 -15.186 1.00 3.25 H new ATOM 0 HZ2 LYS A 117 15.569 -19.090 -15.241 1.00 3.25 H new ATOM 0 HZ3 LYS A 117 16.777 -18.364 -14.293 1.00 3.25 H new ATOM 1802 N GLN A 118 13.501 -22.344 -7.966 1.00 21.13 N ATOM 1803 CA GLN A 118 14.186 -23.225 -7.037 1.00 43.20 C ATOM 1804 C GLN A 118 13.684 -24.654 -7.244 1.00 1.23 C ATOM 1805 O GLN A 118 13.209 -24.940 -8.369 1.00 40.01 O ATOM 1806 CB GLN A 118 14.014 -22.654 -5.615 1.00 33.34 C ATOM 1807 CG GLN A 118 12.609 -22.242 -5.125 1.00 72.10 C ATOM 1808 CD GLN A 118 11.588 -23.371 -4.991 1.00 23.13 C ATOM 1809 OE1 GLN A 118 10.448 -23.254 -5.420 1.00 43.14 O ATOM 1810 NE2 GLN A 118 11.946 -24.483 -4.370 1.00 13.03 N ATOM 0 H GLN A 118 12.545 -22.648 -8.149 1.00 21.13 H new ATOM 0 HA GLN A 118 15.261 -23.275 -7.210 1.00 43.20 H new ATOM 0 HB2 GLN A 118 14.399 -23.397 -4.916 1.00 33.34 H new ATOM 0 HB3 GLN A 118 14.658 -21.778 -5.535 1.00 33.34 H new ATOM 0 HG2 GLN A 118 12.712 -21.756 -4.155 1.00 72.10 H new ATOM 0 HG3 GLN A 118 12.210 -21.498 -5.814 1.00 72.10 H new ATOM 0 HE21 GLN A 118 12.895 -24.584 -4.011 1.00 13.03 H new ATOM 0 HE22 GLN A 118 11.273 -25.240 -4.250 1.00 13.03 H new