USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=29 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 44 TYR OH : rot -32:sc= 0.0813 USER MOD Set 1.2: A 104 ASN :FLIP amide:sc= -0.0495 F(o=-1.2!,f=0.032) USER MOD Set 2.1: A 88 ASN : amide:sc= 3.61 K(o=5.9,f=-1.9!) USER MOD Set 2.2: A 90 THR OG1 : rot -3:sc= 2.25 USER MOD Set 3.1: A 45 LYS NZ :NH3+ -154:sc= 1.12 (180deg=-0.267) USER MOD Set 3.2: A 79 ASN : amide:sc= 0.332 K(o=1.5,f=-4.4) USER MOD Set 4.1: A 53 LYS NZ :NH3+ -117:sc= 0.0675 (180deg=0) USER MOD Set 4.2: A 97 THR OG1 : rot -159:sc= -0.364 USER MOD Set 5.1: A 51 SER OG : rot -89:sc= 1.32 USER MOD Set 5.2: A 99 CYS SG : rot 22:sc= 1.21 USER MOD Set 6.1: A 15 LYS NZ :NH3+ -118:sc= 0.0125 (180deg=-0.309) USER MOD Set 6.2: A 43 ASN : amide:sc= -0.444 K(o=-0.43,f=-2.5!) USER MOD Single : A 14 MET CE :methyl 175:sc= -0.0805 (180deg=-0.123) USER MOD Single : A 17 SER OG : rot -140: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 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.15) USER MOD Single : A 29 LYS NZ :NH3+ 139:sc= 1.25 (180deg=0.994) USER MOD Single : A 36 SER OG : rot 180:sc= 0.00226 USER MOD Single : A 37 SER OG : rot 18:sc= 1 USER MOD Single : A 41 CYS SG : rot 11:sc= 1.09 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 172:sc= 0.222 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 153:sc= 1.15 (180deg=0.426) USER MOD Single : A 61 ASN : amide:sc= 0.252 X(o=0.25,f=0.00071) USER MOD Single : A 62 THR OG1 : rot -26:sc= 0.756 USER MOD Single : A 63 SER OG : rot 5:sc= 1.22 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00534) USER MOD Single : A 72 TYR OH : rot -178:sc= 1.6 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 149:sc= 1.16 (180deg=0.16) USER MOD Single : A 86 ASN : amide:sc= -0.577 X(o=-0.58,f=-0.52) USER MOD Single : A 91 ASN :FLIP amide:sc= 0.0815 F(o=-0.89,f=0.081) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -8:sc= 0.634 USER MOD Single : A 110 LYS NZ :NH3+ -178:sc= 0.975 (180deg=0.974) USER MOD Single : A 113 GLN : amide:sc= 0.768 K(o=0.77,f=-2.2!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 164 N MET A 14 -3.123 12.225 -3.267 1.00 21.21 N ATOM 165 CA MET A 14 -2.336 11.965 -2.069 1.00 52.01 C ATOM 166 C MET A 14 -0.880 11.837 -2.485 1.00 22.35 C ATOM 167 O MET A 14 -0.567 11.136 -3.448 1.00 52.20 O ATOM 168 CB MET A 14 -2.819 10.700 -1.334 1.00 21.23 C ATOM 169 CG MET A 14 -4.345 10.566 -1.330 1.00 53.12 C ATOM 170 SD MET A 14 -5.101 9.140 -0.518 1.00 43.00 S ATOM 171 CE MET A 14 -4.227 9.053 1.043 1.00 44.13 C ATOM 0 HA MET A 14 -2.454 12.790 -1.366 1.00 52.01 H new ATOM 0 HB2 MET A 14 -2.382 9.821 -1.807 1.00 21.23 H new ATOM 0 HB3 MET A 14 -2.457 10.721 -0.306 1.00 21.23 H new ATOM 0 HG2 MET A 14 -4.752 11.463 -0.864 1.00 53.12 H new ATOM 0 HG3 MET A 14 -4.677 10.567 -2.368 1.00 53.12 H new ATOM 0 HE1 MET A 14 -4.666 8.271 1.663 1.00 44.13 H new ATOM 0 HE2 MET A 14 -3.177 8.824 0.860 1.00 44.13 H new ATOM 0 HE3 MET A 14 -4.305 10.011 1.558 1.00 44.13 H new ATOM 181 N LYS A 15 0.008 12.548 -1.786 1.00 23.33 N ATOM 182 CA LYS A 15 1.420 12.603 -2.171 1.00 54.22 C ATOM 183 C LYS A 15 2.339 12.252 -1.014 1.00 71.32 C ATOM 184 O LYS A 15 2.055 12.551 0.152 1.00 70.40 O ATOM 185 CB LYS A 15 1.724 13.929 -2.879 1.00 64.44 C ATOM 186 CG LYS A 15 1.312 15.187 -2.116 1.00 13.23 C ATOM 187 CD LYS A 15 1.525 16.447 -2.963 1.00 53.01 C ATOM 188 CE LYS A 15 0.426 17.503 -2.747 1.00 10.11 C ATOM 189 NZ LYS A 15 -0.927 17.043 -3.157 1.00 63.24 N ATOM 0 H LYS A 15 -0.224 13.091 -0.954 1.00 23.33 H new ATOM 0 HA LYS A 15 1.630 11.826 -2.906 1.00 54.22 H new ATOM 0 HB2 LYS A 15 2.795 13.979 -3.077 1.00 64.44 H new ATOM 0 HB3 LYS A 15 1.221 13.929 -3.846 1.00 64.44 H new ATOM 0 HG2 LYS A 15 0.263 15.113 -1.828 1.00 13.23 H new ATOM 0 HG3 LYS A 15 1.891 15.263 -1.196 1.00 13.23 H new ATOM 0 HD2 LYS A 15 2.494 16.883 -2.720 1.00 53.01 H new ATOM 0 HD3 LYS A 15 1.555 16.170 -4.017 1.00 53.01 H new ATOM 0 HE2 LYS A 15 0.403 17.781 -1.693 1.00 10.11 H new ATOM 0 HE3 LYS A 15 0.681 18.402 -3.309 1.00 10.11 H new ATOM 0 HZ1 LYS A 15 -1.281 17.648 -3.925 1.00 63.24 H new ATOM 0 HZ2 LYS A 15 -0.873 16.059 -3.488 1.00 63.24 H new ATOM 0 HZ3 LYS A 15 -1.574 17.100 -2.345 1.00 63.24 H new ATOM 203 N TRP A 16 3.421 11.561 -1.362 1.00 64.13 N ATOM 204 CA TRP A 16 4.130 10.675 -0.468 1.00 62.31 C ATOM 205 C TRP A 16 5.605 11.031 -0.529 1.00 54.11 C ATOM 206 O TRP A 16 6.282 10.749 -1.514 1.00 50.41 O ATOM 207 CB TRP A 16 3.872 9.215 -0.865 1.00 11.15 C ATOM 208 CG TRP A 16 2.443 8.776 -0.835 1.00 73.51 C ATOM 209 CD1 TRP A 16 1.594 8.836 -1.883 1.00 50.30 C ATOM 210 CD2 TRP A 16 1.696 8.130 0.237 1.00 34.24 C ATOM 211 NE1 TRP A 16 0.357 8.350 -1.512 1.00 73.14 N ATOM 212 CE2 TRP A 16 0.362 7.895 -0.210 1.00 11.05 C ATOM 213 CE3 TRP A 16 2.037 7.665 1.524 1.00 42.42 C ATOM 214 CZ2 TRP A 16 -0.592 7.270 0.607 1.00 32.12 C ATOM 215 CZ3 TRP A 16 1.093 7.036 2.353 1.00 54.41 C ATOM 216 CH2 TRP A 16 -0.224 6.854 1.899 1.00 13.24 C ATOM 0 H TRP A 16 3.831 11.608 -2.295 1.00 64.13 H new ATOM 0 HA TRP A 16 3.781 10.791 0.558 1.00 62.31 H new ATOM 0 HB2 TRP A 16 4.260 9.058 -1.871 1.00 11.15 H new ATOM 0 HB3 TRP A 16 4.445 8.570 -0.198 1.00 11.15 H new ATOM 0 HD1 TRP A 16 1.845 9.209 -2.865 1.00 50.30 H new ATOM 0 HE1 TRP A 16 -0.459 8.330 -2.124 1.00 73.14 H new ATOM 0 HE3 TRP A 16 3.048 7.796 1.881 1.00 42.42 H new ATOM 0 HZ2 TRP A 16 -1.598 7.110 0.248 1.00 32.12 H new ATOM 0 HZ3 TRP A 16 1.379 6.693 3.336 1.00 54.41 H new ATOM 0 HH2 TRP A 16 -0.957 6.393 2.545 1.00 13.24 H new ATOM 227 N SER A 17 6.122 11.658 0.524 1.00 61.51 N ATOM 228 CA SER A 17 7.501 12.145 0.552 1.00 25.43 C ATOM 229 C SER A 17 8.535 11.102 1.011 1.00 74.52 C ATOM 230 O SER A 17 9.674 11.469 1.295 1.00 72.51 O ATOM 231 CB SER A 17 7.535 13.367 1.463 1.00 70.22 C ATOM 232 OG SER A 17 6.829 14.441 0.864 1.00 32.35 O ATOM 0 H SER A 17 5.600 11.843 1.380 1.00 61.51 H new ATOM 0 HA SER A 17 7.791 12.389 -0.470 1.00 25.43 H new ATOM 0 HB2 SER A 17 7.091 13.123 2.428 1.00 70.22 H new ATOM 0 HB3 SER A 17 8.568 13.661 1.652 1.00 70.22 H new ATOM 0 HG SER A 17 7.311 15.279 1.024 1.00 32.35 H new ATOM 238 N LYS A 18 8.131 9.843 1.237 1.00 42.13 N ATOM 239 CA LYS A 18 8.979 8.818 1.877 1.00 33.55 C ATOM 240 C LYS A 18 8.885 7.491 1.158 1.00 5.02 C ATOM 241 O LYS A 18 9.070 6.444 1.762 1.00 31.44 O ATOM 242 CB LYS A 18 8.610 8.633 3.346 1.00 3.15 C ATOM 243 CG LYS A 18 8.885 9.934 4.085 1.00 73.51 C ATOM 244 CD LYS A 18 10.354 10.294 4.318 1.00 34.34 C ATOM 245 CE LYS A 18 11.154 9.159 4.964 1.00 2.42 C ATOM 246 NZ LYS A 18 12.355 9.667 5.656 1.00 43.34 N ATOM 0 H LYS A 18 7.204 9.503 0.981 1.00 42.13 H new ATOM 0 HA LYS A 18 10.007 9.174 1.814 1.00 33.55 H new ATOM 0 HB2 LYS A 18 7.559 8.360 3.440 1.00 3.15 H new ATOM 0 HB3 LYS A 18 9.191 7.820 3.782 1.00 3.15 H new ATOM 0 HG2 LYS A 18 8.420 10.747 3.528 1.00 73.51 H new ATOM 0 HG3 LYS A 18 8.388 9.887 5.054 1.00 73.51 H new ATOM 0 HD2 LYS A 18 10.813 10.558 3.365 1.00 34.34 H new ATOM 0 HD3 LYS A 18 10.409 11.178 4.954 1.00 34.34 H new ATOM 0 HE2 LYS A 18 10.522 8.626 5.674 1.00 2.42 H new ATOM 0 HE3 LYS A 18 11.450 8.441 4.200 1.00 2.42 H new ATOM 0 HZ1 LYS A 18 12.873 8.872 6.082 1.00 43.34 H new ATOM 0 HZ2 LYS A 18 12.969 10.154 4.973 1.00 43.34 H new ATOM 0 HZ3 LYS A 18 12.070 10.333 6.402 1.00 43.34 H new ATOM 260 N VAL A 19 8.537 7.540 -0.107 1.00 61.33 N ATOM 261 CA VAL A 19 8.300 6.332 -0.905 1.00 63.32 C ATOM 262 C VAL A 19 9.581 5.478 -1.022 1.00 2.05 C ATOM 263 O VAL A 19 10.689 6.027 -0.904 1.00 32.24 O ATOM 264 CB VAL A 19 7.716 6.662 -2.295 1.00 2.31 C ATOM 265 CG1 VAL A 19 6.340 7.315 -2.152 1.00 34.25 C ATOM 266 CG2 VAL A 19 8.628 7.542 -3.157 1.00 42.00 C ATOM 0 H VAL A 19 8.407 8.411 -0.622 1.00 61.33 H new ATOM 0 HA VAL A 19 7.552 5.741 -0.377 1.00 63.32 H new ATOM 0 HB VAL A 19 7.627 5.710 -2.817 1.00 2.31 H new ATOM 0 HG11 VAL A 19 5.941 7.542 -3.140 1.00 34.25 H new ATOM 0 HG12 VAL A 19 5.665 6.632 -1.636 1.00 34.25 H new ATOM 0 HG13 VAL A 19 6.433 8.237 -1.578 1.00 34.25 H new ATOM 0 HG21 VAL A 19 8.149 7.730 -4.118 1.00 42.00 H new ATOM 0 HG22 VAL A 19 8.806 8.489 -2.648 1.00 42.00 H new ATOM 0 HG23 VAL A 19 9.578 7.033 -3.319 1.00 42.00 H new ATOM 276 N PRO A 20 9.443 4.151 -1.210 1.00 43.33 N ATOM 277 CA PRO A 20 10.568 3.246 -1.402 1.00 25.44 C ATOM 278 C PRO A 20 11.137 3.346 -2.813 1.00 71.32 C ATOM 279 O PRO A 20 10.500 3.868 -3.728 1.00 31.41 O ATOM 280 CB PRO A 20 10.014 1.847 -1.145 1.00 61.50 C ATOM 281 CG PRO A 20 8.528 1.970 -1.434 1.00 44.13 C ATOM 282 CD PRO A 20 8.185 3.423 -1.177 1.00 53.33 C ATOM 0 HA PRO A 20 11.389 3.493 -0.729 1.00 25.44 H new ATOM 0 HB2 PRO A 20 10.485 1.108 -1.793 1.00 61.50 H new ATOM 0 HB3 PRO A 20 10.194 1.531 -0.118 1.00 61.50 H new ATOM 0 HG2 PRO A 20 8.304 1.690 -2.463 1.00 44.13 H new ATOM 0 HG3 PRO A 20 7.947 1.310 -0.790 1.00 44.13 H new ATOM 0 HD2 PRO A 20 7.498 3.800 -1.934 1.00 53.33 H new ATOM 0 HD3 PRO A 20 7.692 3.541 -0.212 1.00 53.33 H new ATOM 290 N SER A 21 12.315 2.761 -3.007 1.00 43.13 N ATOM 291 CA SER A 21 13.033 2.810 -4.269 1.00 41.02 C ATOM 292 C SER A 21 12.343 2.004 -5.372 1.00 14.22 C ATOM 293 O SER A 21 12.388 2.413 -6.536 1.00 45.32 O ATOM 294 CB SER A 21 14.452 2.294 -4.018 1.00 70.22 C ATOM 295 OG SER A 21 15.076 3.125 -3.055 1.00 45.34 O ATOM 0 H SER A 21 12.801 2.234 -2.281 1.00 43.13 H new ATOM 0 HA SER A 21 13.054 3.839 -4.627 1.00 41.02 H new ATOM 0 HB2 SER A 21 14.422 1.263 -3.664 1.00 70.22 H new ATOM 0 HB3 SER A 21 15.024 2.296 -4.946 1.00 70.22 H new ATOM 0 HG SER A 21 15.986 2.803 -2.885 1.00 45.34 H new ATOM 301 N GLY A 22 11.719 0.871 -5.029 1.00 62.30 N ATOM 302 CA GLY A 22 11.123 -0.038 -5.996 1.00 3.32 C ATOM 303 C GLY A 22 9.850 0.520 -6.627 1.00 51.21 C ATOM 304 O GLY A 22 9.462 0.035 -7.686 1.00 64.42 O ATOM 0 H GLY A 22 11.616 0.563 -4.062 1.00 62.30 H new ATOM 0 HA2 GLY A 22 11.848 -0.252 -6.781 1.00 3.32 H new ATOM 0 HA3 GLY A 22 10.895 -0.984 -5.506 1.00 3.32 H new ATOM 308 N LEU A 23 9.208 1.520 -6.010 1.00 22.43 N ATOM 309 CA LEU A 23 8.100 2.279 -6.590 1.00 73.51 C ATOM 310 C LEU A 23 8.450 2.814 -7.975 1.00 72.43 C ATOM 311 O LEU A 23 9.420 3.558 -8.133 1.00 31.42 O ATOM 312 CB LEU A 23 7.666 3.405 -5.636 1.00 33.34 C ATOM 313 CG LEU A 23 6.435 4.181 -6.161 1.00 2.32 C ATOM 314 CD1 LEU A 23 5.477 4.499 -5.014 1.00 11.15 C ATOM 315 CD2 LEU A 23 6.813 5.500 -6.852 1.00 22.13 C ATOM 0 H LEU A 23 9.453 1.829 -5.069 1.00 22.43 H new ATOM 0 HA LEU A 23 7.255 1.603 -6.720 1.00 73.51 H new ATOM 0 HB2 LEU A 23 7.435 2.981 -4.659 1.00 33.34 H new ATOM 0 HB3 LEU A 23 8.496 4.098 -5.495 1.00 33.34 H new ATOM 0 HG LEU A 23 5.959 3.532 -6.896 1.00 2.32 H new ATOM 0 HD11 LEU A 23 4.616 5.045 -5.400 1.00 11.15 H new ATOM 0 HD12 LEU A 23 5.141 3.570 -4.553 1.00 11.15 H new ATOM 0 HD13 LEU A 23 5.990 5.109 -4.270 1.00 11.15 H new ATOM 0 HD21 LEU A 23 5.909 6.001 -7.200 1.00 22.13 H new ATOM 0 HD22 LEU A 23 7.336 6.144 -6.145 1.00 22.13 H new ATOM 0 HD23 LEU A 23 7.463 5.292 -7.702 1.00 22.13 H new ATOM 327 N LYS A 24 7.595 2.484 -8.945 1.00 11.35 N ATOM 328 CA LYS A 24 7.503 3.078 -10.267 1.00 52.34 C ATOM 329 C LYS A 24 6.035 3.408 -10.502 1.00 50.02 C ATOM 330 O LYS A 24 5.216 2.507 -10.653 1.00 41.12 O ATOM 331 CB LYS A 24 8.034 2.120 -11.350 1.00 53.12 C ATOM 332 CG LYS A 24 9.561 1.939 -11.387 1.00 33.11 C ATOM 333 CD LYS A 24 10.289 3.285 -11.509 1.00 10.41 C ATOM 334 CE LYS A 24 11.732 3.202 -12.017 1.00 12.02 C ATOM 335 NZ LYS A 24 11.779 2.968 -13.470 1.00 51.44 N ATOM 0 H LYS A 24 6.905 1.744 -8.812 1.00 11.35 H new ATOM 0 HA LYS A 24 8.117 3.977 -10.325 1.00 52.34 H new ATOM 0 HB2 LYS A 24 7.574 1.143 -11.203 1.00 53.12 H new ATOM 0 HB3 LYS A 24 7.706 2.483 -12.324 1.00 53.12 H new ATOM 0 HG2 LYS A 24 9.889 1.428 -10.482 1.00 33.11 H new ATOM 0 HG3 LYS A 24 9.832 1.301 -12.228 1.00 33.11 H new ATOM 0 HD2 LYS A 24 9.720 3.928 -12.181 1.00 10.41 H new ATOM 0 HD3 LYS A 24 10.292 3.768 -10.532 1.00 10.41 H new ATOM 0 HE2 LYS A 24 12.257 4.127 -11.779 1.00 12.02 H new ATOM 0 HE3 LYS A 24 12.255 2.397 -11.501 1.00 12.02 H new ATOM 0 HZ1 LYS A 24 12.770 2.917 -13.782 1.00 51.44 H new ATOM 0 HZ2 LYS A 24 11.299 2.073 -13.693 1.00 51.44 H new ATOM 0 HZ3 LYS A 24 11.301 3.749 -13.963 1.00 51.44 H new ATOM 349 N ASN A 25 5.677 4.692 -10.464 1.00 21.11 N ATOM 350 CA ASN A 25 4.320 5.215 -10.691 1.00 70.40 C ATOM 351 C ASN A 25 3.241 4.691 -9.730 1.00 1.43 C ATOM 352 O ASN A 25 2.058 4.918 -9.968 1.00 11.02 O ATOM 353 CB ASN A 25 3.911 5.025 -12.169 1.00 3.04 C ATOM 354 CG ASN A 25 2.828 5.995 -12.624 1.00 23.21 C ATOM 355 OD1 ASN A 25 1.811 5.614 -13.197 1.00 31.14 O ATOM 356 ND2 ASN A 25 3.061 7.284 -12.462 1.00 22.53 N ATOM 0 H ASN A 25 6.351 5.432 -10.266 1.00 21.11 H new ATOM 0 HA ASN A 25 4.378 6.279 -10.461 1.00 70.40 H new ATOM 0 HB2 ASN A 25 4.790 5.150 -12.801 1.00 3.04 H new ATOM 0 HB3 ASN A 25 3.558 4.004 -12.313 1.00 3.04 H new ATOM 0 HD21 ASN A 25 2.394 7.971 -12.814 1.00 22.53 H new ATOM 0 HD22 ASN A 25 3.908 7.593 -11.985 1.00 22.53 H new ATOM 363 N GLY A 26 3.627 4.025 -8.639 1.00 64.20 N ATOM 364 CA GLY A 26 2.724 3.394 -7.678 1.00 65.33 C ATOM 365 C GLY A 26 2.726 1.871 -7.809 1.00 31.22 C ATOM 366 O GLY A 26 2.276 1.183 -6.891 1.00 64.40 O ATOM 0 H GLY A 26 4.610 3.907 -8.394 1.00 64.20 H new ATOM 0 HA2 GLY A 26 3.019 3.672 -6.666 1.00 65.33 H new ATOM 0 HA3 GLY A 26 1.712 3.770 -7.830 1.00 65.33 H new ATOM 370 N GLU A 27 3.280 1.330 -8.898 1.00 5.11 N ATOM 371 CA GLU A 27 3.525 -0.090 -9.070 1.00 30.42 C ATOM 372 C GLU A 27 4.859 -0.438 -8.403 1.00 13.23 C ATOM 373 O GLU A 27 5.834 0.305 -8.547 1.00 2.02 O ATOM 374 CB GLU A 27 3.548 -0.438 -10.570 1.00 31.55 C ATOM 375 CG GLU A 27 3.215 -1.920 -10.771 1.00 43.44 C ATOM 376 CD GLU A 27 3.329 -2.413 -12.210 1.00 52.41 C ATOM 377 OE1 GLU A 27 4.228 -1.966 -12.955 1.00 22.21 O ATOM 378 OE2 GLU A 27 2.570 -3.336 -12.593 1.00 45.30 O ATOM 0 H GLU A 27 3.575 1.888 -9.699 1.00 5.11 H new ATOM 0 HA GLU A 27 2.730 -0.672 -8.604 1.00 30.42 H new ATOM 0 HB2 GLU A 27 2.828 0.181 -11.106 1.00 31.55 H new ATOM 0 HB3 GLU A 27 4.531 -0.218 -10.987 1.00 31.55 H new ATOM 0 HG2 GLU A 27 3.879 -2.515 -10.144 1.00 43.44 H new ATOM 0 HG3 GLU A 27 2.199 -2.100 -10.420 1.00 43.44 H new ATOM 385 N LEU A 28 4.938 -1.552 -7.675 1.00 52.01 N ATOM 386 CA LEU A 28 6.160 -1.980 -6.996 1.00 73.50 C ATOM 387 C LEU A 28 6.508 -3.370 -7.488 1.00 31.45 C ATOM 388 O LEU A 28 5.752 -4.321 -7.268 1.00 1.14 O ATOM 389 CB LEU A 28 6.043 -1.929 -5.461 1.00 13.02 C ATOM 390 CG LEU A 28 6.183 -0.495 -4.921 1.00 41.12 C ATOM 391 CD1 LEU A 28 4.886 0.329 -4.935 1.00 5.14 C ATOM 392 CD2 LEU A 28 6.751 -0.453 -3.504 1.00 51.23 C ATOM 0 H LEU A 28 4.151 -2.186 -7.539 1.00 52.01 H new ATOM 0 HA LEU A 28 6.963 -1.284 -7.240 1.00 73.50 H new ATOM 0 HB2 LEU A 28 5.080 -2.339 -5.157 1.00 13.02 H new ATOM 0 HB3 LEU A 28 6.813 -2.561 -5.017 1.00 13.02 H new ATOM 0 HG LEU A 28 6.880 -0.039 -5.624 1.00 41.12 H new ATOM 0 HD11 LEU A 28 5.083 1.324 -4.537 1.00 5.14 H new ATOM 0 HD12 LEU A 28 4.520 0.414 -5.958 1.00 5.14 H new ATOM 0 HD13 LEU A 28 4.134 -0.166 -4.320 1.00 5.14 H new ATOM 0 HD21 LEU A 28 6.828 0.583 -3.174 1.00 51.23 H new ATOM 0 HD22 LEU A 28 6.091 -1.000 -2.831 1.00 51.23 H new ATOM 0 HD23 LEU A 28 7.740 -0.911 -3.495 1.00 51.23 H new ATOM 404 N LYS A 29 7.648 -3.477 -8.175 1.00 34.45 N ATOM 405 CA LYS A 29 8.153 -4.769 -8.625 1.00 61.54 C ATOM 406 C LYS A 29 8.800 -5.438 -7.426 1.00 32.53 C ATOM 407 O LYS A 29 9.809 -4.953 -6.913 1.00 23.15 O ATOM 408 CB LYS A 29 9.144 -4.636 -9.796 1.00 14.45 C ATOM 409 CG LYS A 29 9.488 -5.997 -10.434 1.00 74.22 C ATOM 410 CD LYS A 29 8.367 -6.528 -11.345 1.00 42.30 C ATOM 411 CE LYS A 29 8.342 -8.063 -11.420 1.00 53.34 C ATOM 412 NZ LYS A 29 9.470 -8.653 -12.173 1.00 34.45 N ATOM 0 H LYS A 29 8.236 -2.683 -8.430 1.00 34.45 H new ATOM 0 HA LYS A 29 7.331 -5.373 -9.009 1.00 61.54 H new ATOM 0 HB2 LYS A 29 8.719 -3.979 -10.555 1.00 14.45 H new ATOM 0 HB3 LYS A 29 10.060 -4.163 -9.441 1.00 14.45 H new ATOM 0 HG2 LYS A 29 10.406 -5.900 -11.014 1.00 74.22 H new ATOM 0 HG3 LYS A 29 9.684 -6.724 -9.646 1.00 74.22 H new ATOM 0 HD2 LYS A 29 7.405 -6.170 -10.977 1.00 42.30 H new ATOM 0 HD3 LYS A 29 8.496 -6.121 -12.348 1.00 42.30 H new ATOM 0 HE2 LYS A 29 8.347 -8.465 -10.407 1.00 53.34 H new ATOM 0 HE3 LYS A 29 7.407 -8.377 -11.883 1.00 53.34 H new ATOM 0 HZ1 LYS A 29 9.812 -9.501 -11.678 1.00 34.45 H new ATOM 0 HZ2 LYS A 29 9.151 -8.915 -13.128 1.00 34.45 H new ATOM 0 HZ3 LYS A 29 10.241 -7.959 -12.244 1.00 34.45 H new ATOM 426 N VAL A 30 8.226 -6.546 -6.986 1.00 33.13 N ATOM 427 CA VAL A 30 8.726 -7.331 -5.876 1.00 31.25 C ATOM 428 C VAL A 30 9.260 -8.615 -6.479 1.00 22.55 C ATOM 429 O VAL A 30 8.651 -9.203 -7.378 1.00 55.43 O ATOM 430 CB VAL A 30 7.608 -7.562 -4.845 1.00 32.42 C ATOM 431 CG1 VAL A 30 8.158 -8.159 -3.551 1.00 32.13 C ATOM 432 CG2 VAL A 30 6.897 -6.262 -4.464 1.00 24.44 C ATOM 0 H VAL A 30 7.379 -6.931 -7.403 1.00 33.13 H new ATOM 0 HA VAL A 30 9.523 -6.827 -5.329 1.00 31.25 H new ATOM 0 HB VAL A 30 6.908 -8.247 -5.324 1.00 32.42 H new ATOM 0 HG11 VAL A 30 7.342 -8.310 -2.844 1.00 32.13 H new ATOM 0 HG12 VAL A 30 8.634 -9.116 -3.765 1.00 32.13 H new ATOM 0 HG13 VAL A 30 8.891 -7.478 -3.119 1.00 32.13 H new ATOM 0 HG21 VAL A 30 6.116 -6.475 -3.734 1.00 24.44 H new ATOM 0 HG22 VAL A 30 7.617 -5.566 -4.033 1.00 24.44 H new ATOM 0 HG23 VAL A 30 6.451 -5.817 -5.353 1.00 24.44 H new ATOM 442 N GLU A 31 10.427 -9.035 -6.005 1.00 54.13 N ATOM 443 CA GLU A 31 10.976 -10.303 -6.443 1.00 53.40 C ATOM 444 C GLU A 31 10.391 -11.421 -5.579 1.00 71.23 C ATOM 445 O GLU A 31 9.662 -11.173 -4.614 1.00 20.35 O ATOM 446 CB GLU A 31 12.505 -10.261 -6.427 1.00 13.25 C ATOM 447 CG GLU A 31 13.088 -10.142 -5.016 1.00 60.11 C ATOM 448 CD GLU A 31 14.606 -10.157 -5.088 1.00 44.13 C ATOM 449 OE1 GLU A 31 15.171 -11.138 -5.637 1.00 43.21 O ATOM 450 OE2 GLU A 31 15.229 -9.176 -4.631 1.00 1.22 O ATOM 0 H GLU A 31 10.998 -8.525 -5.331 1.00 54.13 H new ATOM 0 HA GLU A 31 10.695 -10.505 -7.477 1.00 53.40 H new ATOM 0 HB2 GLU A 31 12.892 -11.164 -6.899 1.00 13.25 H new ATOM 0 HB3 GLU A 31 12.846 -9.417 -7.027 1.00 13.25 H new ATOM 0 HG2 GLU A 31 12.745 -9.220 -4.547 1.00 60.11 H new ATOM 0 HG3 GLU A 31 12.735 -10.966 -4.395 1.00 60.11 H new ATOM 457 N ALA A 32 10.771 -12.659 -5.883 1.00 14.45 N ATOM 458 CA ALA A 32 10.289 -13.835 -5.186 1.00 20.11 C ATOM 459 C ALA A 32 10.611 -13.858 -3.686 1.00 54.00 C ATOM 460 O ALA A 32 10.030 -14.667 -2.984 1.00 51.13 O ATOM 461 CB ALA A 32 10.901 -15.058 -5.858 1.00 52.02 C ATOM 0 H ALA A 32 11.431 -12.870 -6.631 1.00 14.45 H new ATOM 0 HA ALA A 32 9.201 -13.828 -5.250 1.00 20.11 H new ATOM 0 HB1 ALA A 32 10.556 -15.961 -5.354 1.00 52.02 H new ATOM 0 HB2 ALA A 32 10.598 -15.088 -6.905 1.00 52.02 H new ATOM 0 HB3 ALA A 32 11.988 -15.001 -5.797 1.00 52.02 H new ATOM 467 N GLU A 33 11.501 -13.009 -3.180 1.00 61.13 N ATOM 468 CA GLU A 33 11.984 -13.000 -1.795 1.00 22.55 C ATOM 469 C GLU A 33 11.172 -12.025 -0.956 1.00 42.41 C ATOM 470 O GLU A 33 11.061 -12.151 0.262 1.00 1.02 O ATOM 471 CB GLU A 33 13.437 -12.517 -1.772 1.00 34.53 C ATOM 472 CG GLU A 33 14.346 -13.095 -2.860 1.00 63.21 C ATOM 473 CD GLU A 33 14.700 -14.571 -2.648 1.00 64.34 C ATOM 474 OE1 GLU A 33 13.802 -15.378 -2.324 1.00 21.41 O ATOM 475 OE2 GLU A 33 15.870 -14.967 -2.887 1.00 53.04 O ATOM 0 H GLU A 33 11.926 -12.275 -3.746 1.00 61.13 H new ATOM 0 HA GLU A 33 11.893 -14.009 -1.394 1.00 22.55 H new ATOM 0 HB2 GLU A 33 13.441 -11.431 -1.860 1.00 34.53 H new ATOM 0 HB3 GLU A 33 13.866 -12.759 -0.800 1.00 34.53 H new ATOM 0 HG2 GLU A 33 13.856 -12.983 -3.827 1.00 63.21 H new ATOM 0 HG3 GLU A 33 15.266 -12.512 -2.900 1.00 63.21 H new ATOM 482 N GLY A 34 10.614 -11.029 -1.634 1.00 31.23 N ATOM 483 CA GLY A 34 9.914 -9.948 -1.005 1.00 11.04 C ATOM 484 C GLY A 34 10.901 -8.922 -0.459 1.00 41.33 C ATOM 485 O GLY A 34 12.122 -9.027 -0.638 1.00 72.54 O ATOM 0 H GLY A 34 10.643 -10.961 -2.651 1.00 31.23 H new ATOM 0 HA2 GLY A 34 9.245 -9.473 -1.723 1.00 11.04 H new ATOM 0 HA3 GLY A 34 9.293 -10.331 -0.196 1.00 11.04 H new ATOM 489 N GLY A 35 10.335 -7.911 0.181 1.00 4.32 N ATOM 490 CA GLY A 35 11.042 -6.912 0.964 1.00 32.52 C ATOM 491 C GLY A 35 10.069 -6.133 1.848 1.00 2.21 C ATOM 492 O GLY A 35 8.852 -6.358 1.804 1.00 52.14 O ATOM 0 H GLY A 35 9.327 -7.758 0.168 1.00 4.32 H new ATOM 0 HA2 GLY A 35 11.797 -7.396 1.584 1.00 32.52 H new ATOM 0 HA3 GLY A 35 11.567 -6.226 0.299 1.00 32.52 H new ATOM 496 N SER A 36 10.596 -5.200 2.643 1.00 14.04 N ATOM 497 CA SER A 36 9.810 -4.232 3.403 1.00 14.23 C ATOM 498 C SER A 36 9.626 -2.947 2.586 1.00 55.20 C ATOM 499 O SER A 36 10.329 -2.727 1.591 1.00 43.42 O ATOM 500 CB SER A 36 10.504 -3.969 4.753 1.00 35.13 C ATOM 501 OG SER A 36 11.875 -3.636 4.628 1.00 41.12 O ATOM 0 H SER A 36 11.602 -5.096 2.778 1.00 14.04 H new ATOM 0 HA SER A 36 8.815 -4.628 3.606 1.00 14.23 H new ATOM 0 HB2 SER A 36 9.987 -3.159 5.267 1.00 35.13 H new ATOM 0 HB3 SER A 36 10.409 -4.856 5.380 1.00 35.13 H new ATOM 0 HG SER A 36 12.256 -3.480 5.517 1.00 41.12 H new ATOM 507 N SER A 37 8.715 -2.068 3.014 1.00 13.24 N ATOM 508 CA SER A 37 8.622 -0.694 2.543 1.00 30.53 C ATOM 509 C SER A 37 7.922 0.201 3.560 1.00 61.42 C ATOM 510 O SER A 37 6.888 -0.161 4.127 1.00 62.54 O ATOM 511 CB SER A 37 7.826 -0.646 1.244 1.00 53.02 C ATOM 512 OG SER A 37 8.589 -1.130 0.160 1.00 44.30 O ATOM 0 H SER A 37 8.009 -2.302 3.712 1.00 13.24 H new ATOM 0 HA SER A 37 9.639 -0.333 2.390 1.00 30.53 H new ATOM 0 HB2 SER A 37 6.919 -1.241 1.348 1.00 53.02 H new ATOM 0 HB3 SER A 37 7.514 0.379 1.043 1.00 53.02 H new ATOM 0 HG SER A 37 9.351 -1.645 0.500 1.00 44.30 H new ATOM 518 N LEU A 38 8.473 1.401 3.719 1.00 5.33 N ATOM 519 CA LEU A 38 7.861 2.555 4.358 1.00 30.15 C ATOM 520 C LEU A 38 7.196 3.416 3.283 1.00 22.14 C ATOM 521 O LEU A 38 7.738 3.561 2.188 1.00 24.32 O ATOM 522 CB LEU A 38 8.981 3.353 5.059 1.00 21.21 C ATOM 523 CG LEU A 38 8.567 4.747 5.584 1.00 74.54 C ATOM 524 CD1 LEU A 38 7.499 4.659 6.672 1.00 34.34 C ATOM 525 CD2 LEU A 38 9.772 5.507 6.146 1.00 70.22 C ATOM 0 H LEU A 38 9.415 1.603 3.384 1.00 5.33 H new ATOM 0 HA LEU A 38 7.108 2.252 5.086 1.00 30.15 H new ATOM 0 HB2 LEU A 38 9.356 2.764 5.896 1.00 21.21 H new ATOM 0 HB3 LEU A 38 9.809 3.477 4.361 1.00 21.21 H new ATOM 0 HG LEU A 38 8.156 5.283 4.728 1.00 74.54 H new ATOM 0 HD11 LEU A 38 7.240 5.662 7.010 1.00 34.34 H new ATOM 0 HD12 LEU A 38 6.611 4.171 6.271 1.00 34.34 H new ATOM 0 HD13 LEU A 38 7.883 4.081 7.513 1.00 34.34 H new ATOM 0 HD21 LEU A 38 9.450 6.484 6.508 1.00 70.22 H new ATOM 0 HD22 LEU A 38 10.208 4.941 6.969 1.00 70.22 H new ATOM 0 HD23 LEU A 38 10.517 5.638 5.362 1.00 70.22 H new ATOM 537 N PHE A 39 6.087 4.069 3.617 1.00 2.04 N ATOM 538 CA PHE A 39 5.496 5.176 2.889 1.00 45.21 C ATOM 539 C PHE A 39 5.043 6.184 3.945 1.00 33.22 C ATOM 540 O PHE A 39 4.555 5.793 5.003 1.00 10.23 O ATOM 541 CB PHE A 39 4.294 4.695 2.057 1.00 25.51 C ATOM 542 CG PHE A 39 4.567 3.545 1.105 1.00 71.23 C ATOM 543 CD1 PHE A 39 4.605 2.226 1.594 1.00 73.40 C ATOM 544 CD2 PHE A 39 4.763 3.787 -0.268 1.00 32.52 C ATOM 545 CE1 PHE A 39 4.880 1.162 0.725 1.00 63.40 C ATOM 546 CE2 PHE A 39 5.027 2.718 -1.141 1.00 24.34 C ATOM 547 CZ PHE A 39 5.097 1.406 -0.641 1.00 43.03 C ATOM 0 H PHE A 39 5.551 3.823 4.449 1.00 2.04 H new ATOM 0 HA PHE A 39 6.210 5.619 2.195 1.00 45.21 H new ATOM 0 HB2 PHE A 39 3.500 4.395 2.741 1.00 25.51 H new ATOM 0 HB3 PHE A 39 3.916 5.538 1.479 1.00 25.51 H new ATOM 0 HD1 PHE A 39 4.422 2.034 2.641 1.00 73.40 H new ATOM 0 HD2 PHE A 39 4.710 4.796 -0.651 1.00 32.52 H new ATOM 0 HE1 PHE A 39 4.925 0.153 1.106 1.00 63.40 H new ATOM 0 HE2 PHE A 39 5.176 2.904 -2.194 1.00 24.34 H new ATOM 0 HZ PHE A 39 5.318 0.585 -1.308 1.00 43.03 H new ATOM 557 N ALA A 40 5.145 7.482 3.665 1.00 44.14 N ATOM 558 CA ALA A 40 4.609 8.530 4.532 1.00 62.21 C ATOM 559 C ALA A 40 3.918 9.542 3.643 1.00 73.13 C ATOM 560 O ALA A 40 4.544 10.048 2.705 1.00 21.32 O ATOM 561 CB ALA A 40 5.706 9.221 5.350 1.00 31.23 C ATOM 0 H ALA A 40 5.604 7.838 2.827 1.00 44.14 H new ATOM 0 HA ALA A 40 3.917 8.085 5.247 1.00 62.21 H new ATOM 0 HB1 ALA A 40 5.260 9.992 5.979 1.00 31.23 H new ATOM 0 HB2 ALA A 40 6.209 8.486 5.978 1.00 31.23 H new ATOM 0 HB3 ALA A 40 6.430 9.677 4.675 1.00 31.23 H new ATOM 567 N CYS A 41 2.647 9.829 3.908 1.00 10.35 N ATOM 568 CA CYS A 41 1.929 10.825 3.140 1.00 42.21 C ATOM 569 C CYS A 41 2.297 12.178 3.726 1.00 63.14 C ATOM 570 O CYS A 41 2.097 12.403 4.919 1.00 12.12 O ATOM 571 CB CYS A 41 0.439 10.538 3.227 1.00 54.44 C ATOM 572 SG CYS A 41 -0.460 11.463 1.961 1.00 4.35 S ATOM 0 H CYS A 41 2.101 9.385 4.646 1.00 10.35 H new ATOM 0 HA CYS A 41 2.192 10.810 2.082 1.00 42.21 H new ATOM 0 HB2 CYS A 41 0.261 9.470 3.101 1.00 54.44 H new ATOM 0 HB3 CYS A 41 0.068 10.809 4.216 1.00 54.44 H new ATOM 0 HG CYS A 41 0.386 11.988 1.125 1.00 4.35 H new ATOM 578 N LYS A 42 2.861 13.081 2.926 1.00 53.32 N ATOM 579 CA LYS A 42 3.120 14.462 3.345 1.00 10.03 C ATOM 580 C LYS A 42 1.964 15.334 2.844 1.00 63.40 C ATOM 581 O LYS A 42 2.173 16.427 2.318 1.00 4.25 O ATOM 582 CB LYS A 42 4.484 14.925 2.826 1.00 41.03 C ATOM 583 CG LYS A 42 4.933 16.310 3.357 1.00 73.51 C ATOM 584 CD LYS A 42 6.090 16.255 4.360 1.00 42.12 C ATOM 585 CE LYS A 42 7.409 15.874 3.684 1.00 11.44 C ATOM 586 NZ LYS A 42 8.554 15.926 4.612 1.00 42.44 N ATOM 0 H LYS A 42 3.152 12.879 1.970 1.00 53.32 H new ATOM 0 HA LYS A 42 3.166 14.542 4.431 1.00 10.03 H new ATOM 0 HB2 LYS A 42 5.234 14.183 3.100 1.00 41.03 H new ATOM 0 HB3 LYS A 42 4.452 14.959 1.737 1.00 41.03 H new ATOM 0 HG2 LYS A 42 5.229 16.932 2.512 1.00 73.51 H new ATOM 0 HG3 LYS A 42 4.081 16.799 3.829 1.00 73.51 H new ATOM 0 HD2 LYS A 42 6.197 17.225 4.845 1.00 42.12 H new ATOM 0 HD3 LYS A 42 5.860 15.531 5.142 1.00 42.12 H new ATOM 0 HE2 LYS A 42 7.325 14.869 3.271 1.00 11.44 H new ATOM 0 HE3 LYS A 42 7.593 16.548 2.847 1.00 11.44 H new ATOM 0 HZ1 LYS A 42 9.423 15.660 4.106 1.00 42.44 H new ATOM 0 HZ2 LYS A 42 8.653 16.891 4.987 1.00 42.44 H new ATOM 0 HZ3 LYS A 42 8.394 15.264 5.398 1.00 42.44 H new ATOM 600 N ASN A 43 0.747 14.786 2.853 1.00 73.20 N ATOM 601 CA ASN A 43 -0.420 15.494 2.331 1.00 61.33 C ATOM 602 C ASN A 43 -1.730 15.127 3.014 1.00 30.34 C ATOM 603 O ASN A 43 -2.617 15.972 3.127 1.00 25.53 O ATOM 604 CB ASN A 43 -0.489 15.231 0.835 1.00 33.12 C ATOM 605 CG ASN A 43 -1.467 16.159 0.149 1.00 50.21 C ATOM 606 OD1 ASN A 43 -1.143 17.307 -0.131 1.00 25.12 O ATOM 607 ND2 ASN A 43 -2.587 15.644 -0.303 1.00 70.42 N ATOM 0 H ASN A 43 0.546 13.854 3.216 1.00 73.20 H new ATOM 0 HA ASN A 43 -0.293 16.556 2.541 1.00 61.33 H new ATOM 0 HB2 ASN A 43 0.501 15.357 0.397 1.00 33.12 H new ATOM 0 HB3 ASN A 43 -0.785 14.197 0.660 1.00 33.12 H new ATOM 0 HD21 ASN A 43 -3.202 16.201 -0.896 1.00 70.42 H new ATOM 0 HD22 ASN A 43 -2.842 14.687 -0.061 1.00 70.42 H new ATOM 614 N TYR A 44 -1.842 13.900 3.523 1.00 1.22 N ATOM 615 CA TYR A 44 -2.982 13.435 4.292 1.00 54.11 C ATOM 616 C TYR A 44 -2.481 12.762 5.564 1.00 70.53 C ATOM 617 O TYR A 44 -1.395 12.184 5.562 1.00 12.13 O ATOM 618 CB TYR A 44 -3.835 12.499 3.428 1.00 70.13 C ATOM 619 CG TYR A 44 -4.723 13.204 2.409 1.00 23.53 C ATOM 620 CD1 TYR A 44 -5.978 13.695 2.808 1.00 51.22 C ATOM 621 CD2 TYR A 44 -4.317 13.340 1.067 1.00 22.11 C ATOM 622 CE1 TYR A 44 -6.808 14.349 1.887 1.00 34.42 C ATOM 623 CE2 TYR A 44 -5.130 14.024 0.141 1.00 70.24 C ATOM 624 CZ TYR A 44 -6.378 14.542 0.558 1.00 53.14 C ATOM 625 OH TYR A 44 -7.167 15.240 -0.306 1.00 12.15 O ATOM 0 H TYR A 44 -1.121 13.189 3.405 1.00 1.22 H new ATOM 0 HA TYR A 44 -3.618 14.270 4.587 1.00 54.11 H new ATOM 0 HB2 TYR A 44 -3.174 11.812 2.900 1.00 70.13 H new ATOM 0 HB3 TYR A 44 -4.464 11.896 4.082 1.00 70.13 H new ATOM 0 HD1 TYR A 44 -6.305 13.568 3.830 1.00 51.22 H new ATOM 0 HD2 TYR A 44 -3.377 12.917 0.746 1.00 22.11 H new ATOM 0 HE1 TYR A 44 -7.779 14.706 2.196 1.00 34.42 H new ATOM 0 HE2 TYR A 44 -4.802 14.152 -0.880 1.00 70.24 H new ATOM 0 HH TYR A 44 -8.109 15.095 -0.079 1.00 12.15 H new ATOM 635 N LYS A 45 -3.258 12.840 6.645 1.00 70.32 N ATOM 636 CA LYS A 45 -2.921 12.318 7.974 1.00 42.02 C ATOM 637 C LYS A 45 -4.106 11.583 8.596 1.00 64.54 C ATOM 638 O LYS A 45 -4.230 11.449 9.809 1.00 1.42 O ATOM 639 CB LYS A 45 -2.434 13.494 8.851 1.00 32.21 C ATOM 640 CG LYS A 45 -0.901 13.536 8.853 1.00 14.01 C ATOM 641 CD LYS A 45 -0.280 14.642 8.001 1.00 3.25 C ATOM 642 CE LYS A 45 1.252 14.664 8.053 1.00 2.44 C ATOM 643 NZ LYS A 45 1.790 14.498 9.416 1.00 43.12 N ATOM 0 H LYS A 45 -4.175 13.285 6.620 1.00 70.32 H new ATOM 0 HA LYS A 45 -2.121 11.582 7.894 1.00 42.02 H new ATOM 0 HB2 LYS A 45 -2.833 14.434 8.470 1.00 32.21 H new ATOM 0 HB3 LYS A 45 -2.806 13.379 9.869 1.00 32.21 H new ATOM 0 HG2 LYS A 45 -0.558 13.655 9.881 1.00 14.01 H new ATOM 0 HG3 LYS A 45 -0.527 12.575 8.501 1.00 14.01 H new ATOM 0 HD2 LYS A 45 -0.599 14.516 6.966 1.00 3.25 H new ATOM 0 HD3 LYS A 45 -0.661 15.606 8.337 1.00 3.25 H new ATOM 0 HE2 LYS A 45 1.642 13.870 7.416 1.00 2.44 H new ATOM 0 HE3 LYS A 45 1.609 15.608 7.641 1.00 2.44 H new ATOM 0 HZ1 LYS A 45 2.729 14.941 9.475 1.00 43.12 H new ATOM 0 HZ2 LYS A 45 1.150 14.950 10.099 1.00 43.12 H new ATOM 0 HZ3 LYS A 45 1.871 13.485 9.636 1.00 43.12 H new ATOM 657 N SER A 46 -4.999 11.150 7.724 1.00 45.10 N ATOM 658 CA SER A 46 -6.307 10.632 8.082 1.00 41.04 C ATOM 659 C SER A 46 -6.733 9.586 7.058 1.00 72.34 C ATOM 660 O SER A 46 -7.458 9.929 6.128 1.00 34.45 O ATOM 661 CB SER A 46 -7.292 11.809 8.238 1.00 74.50 C ATOM 662 OG SER A 46 -7.040 12.857 7.307 1.00 22.53 O ATOM 0 H SER A 46 -4.829 11.149 6.718 1.00 45.10 H new ATOM 0 HA SER A 46 -6.287 10.121 9.045 1.00 41.04 H new ATOM 0 HB2 SER A 46 -8.311 11.446 8.105 1.00 74.50 H new ATOM 0 HB3 SER A 46 -7.224 12.204 9.252 1.00 74.50 H new ATOM 0 HG SER A 46 -7.689 13.578 7.443 1.00 22.53 H new ATOM 668 N PHE A 47 -6.233 8.347 7.143 1.00 42.24 N ATOM 669 CA PHE A 47 -6.484 7.318 6.133 1.00 1.04 C ATOM 670 C PHE A 47 -6.523 5.905 6.716 1.00 51.30 C ATOM 671 O PHE A 47 -6.033 5.675 7.829 1.00 70.50 O ATOM 672 CB PHE A 47 -5.445 7.439 5.012 1.00 71.43 C ATOM 673 CG PHE A 47 -4.000 7.165 5.378 1.00 43.14 C ATOM 674 CD1 PHE A 47 -3.471 5.872 5.228 1.00 74.42 C ATOM 675 CD2 PHE A 47 -3.150 8.219 5.758 1.00 44.11 C ATOM 676 CE1 PHE A 47 -2.094 5.645 5.367 1.00 31.15 C ATOM 677 CE2 PHE A 47 -1.767 7.993 5.890 1.00 13.45 C ATOM 678 CZ PHE A 47 -1.237 6.705 5.694 1.00 50.01 C ATOM 0 H PHE A 47 -5.644 8.032 7.914 1.00 42.24 H new ATOM 0 HA PHE A 47 -7.479 7.490 5.722 1.00 1.04 H new ATOM 0 HB2 PHE A 47 -5.728 6.753 4.213 1.00 71.43 H new ATOM 0 HB3 PHE A 47 -5.505 8.447 4.602 1.00 71.43 H new ATOM 0 HD1 PHE A 47 -4.130 5.046 5.004 1.00 74.42 H new ATOM 0 HD2 PHE A 47 -3.558 9.201 5.948 1.00 44.11 H new ATOM 0 HE1 PHE A 47 -1.694 4.653 5.222 1.00 31.15 H new ATOM 0 HE2 PHE A 47 -1.110 8.812 6.143 1.00 13.45 H new ATOM 0 HZ PHE A 47 -0.175 6.534 5.795 1.00 50.01 H new ATOM 688 N TRP A 48 -7.077 4.954 5.955 1.00 52.22 N ATOM 689 CA TRP A 48 -7.361 3.603 6.423 1.00 34.52 C ATOM 690 C TRP A 48 -7.402 2.559 5.299 1.00 50.03 C ATOM 691 O TRP A 48 -7.322 2.889 4.114 1.00 43.00 O ATOM 692 CB TRP A 48 -8.710 3.614 7.136 1.00 62.23 C ATOM 693 CG TRP A 48 -9.860 4.169 6.338 1.00 63.21 C ATOM 694 CD1 TRP A 48 -10.502 3.530 5.333 1.00 11.11 C ATOM 695 CD2 TRP A 48 -10.480 5.494 6.406 1.00 62.43 C ATOM 696 NE1 TRP A 48 -11.529 4.308 4.867 1.00 34.44 N ATOM 697 CE2 TRP A 48 -11.514 5.555 5.430 1.00 61.14 C ATOM 698 CE3 TRP A 48 -10.271 6.662 7.168 1.00 10.53 C ATOM 699 CZ2 TRP A 48 -12.267 6.707 5.185 1.00 53.20 C ATOM 700 CZ3 TRP A 48 -11.042 7.822 6.956 1.00 63.31 C ATOM 701 CH2 TRP A 48 -12.033 7.858 5.956 1.00 32.15 C ATOM 0 H TRP A 48 -7.343 5.109 4.983 1.00 52.22 H new ATOM 0 HA TRP A 48 -6.548 3.315 7.089 1.00 34.52 H new ATOM 0 HB2 TRP A 48 -8.954 2.593 7.431 1.00 62.23 H new ATOM 0 HB3 TRP A 48 -8.612 4.196 8.053 1.00 62.23 H new ATOM 0 HD1 TRP A 48 -10.243 2.552 4.954 1.00 11.11 H new ATOM 0 HE1 TRP A 48 -12.220 3.996 4.184 1.00 34.44 H new ATOM 0 HE3 TRP A 48 -9.505 6.667 7.929 1.00 10.53 H new ATOM 0 HZ2 TRP A 48 -13.021 6.712 4.411 1.00 53.20 H new ATOM 0 HZ3 TRP A 48 -10.871 8.695 7.568 1.00 63.31 H new ATOM 0 HH2 TRP A 48 -12.605 8.758 5.784 1.00 32.15 H new ATOM 712 N ILE A 49 -7.517 1.283 5.683 1.00 61.10 N ATOM 713 CA ILE A 49 -7.469 0.123 4.788 1.00 65.53 C ATOM 714 C ILE A 49 -8.855 -0.346 4.328 1.00 4.34 C ATOM 715 O ILE A 49 -9.476 -1.236 4.929 1.00 31.04 O ATOM 716 CB ILE A 49 -6.752 -1.073 5.431 1.00 31.53 C ATOM 717 CG1 ILE A 49 -5.395 -0.700 6.054 1.00 45.34 C ATOM 718 CG2 ILE A 49 -6.619 -2.127 4.308 1.00 21.42 C ATOM 719 CD1 ILE A 49 -4.255 -0.488 5.050 1.00 43.14 C ATOM 0 H ILE A 49 -7.651 1.021 6.660 1.00 61.10 H new ATOM 0 HA ILE A 49 -6.910 0.472 3.920 1.00 65.53 H new ATOM 0 HB ILE A 49 -7.323 -1.460 6.275 1.00 31.53 H new ATOM 0 HG12 ILE A 49 -5.519 0.212 6.637 1.00 45.34 H new ATOM 0 HG13 ILE A 49 -5.104 -1.486 6.750 1.00 45.34 H new ATOM 0 HG21 ILE A 49 -6.114 -3.011 4.697 1.00 21.42 H new ATOM 0 HG22 ILE A 49 -7.610 -2.403 3.949 1.00 21.42 H new ATOM 0 HG23 ILE A 49 -6.038 -1.710 3.485 1.00 21.42 H new ATOM 0 HD11 ILE A 49 -3.342 -0.229 5.586 1.00 43.14 H new ATOM 0 HD12 ILE A 49 -4.095 -1.405 4.482 1.00 43.14 H new ATOM 0 HD13 ILE A 49 -4.517 0.321 4.368 1.00 43.14 H new ATOM 731 N SER A 50 -9.346 0.202 3.237 1.00 21.21 N ATOM 732 CA SER A 50 -10.538 -0.325 2.618 1.00 52.20 C ATOM 733 C SER A 50 -10.211 -1.596 1.837 1.00 2.12 C ATOM 734 O SER A 50 -10.620 -2.688 2.251 1.00 5.25 O ATOM 735 CB SER A 50 -11.182 0.751 1.763 1.00 73.23 C ATOM 736 OG SER A 50 -11.560 1.819 2.607 1.00 43.43 O ATOM 0 H SER A 50 -8.939 1.009 2.764 1.00 21.21 H new ATOM 0 HA SER A 50 -11.264 -0.610 3.379 1.00 52.20 H new ATOM 0 HB2 SER A 50 -10.485 1.098 1.000 1.00 73.23 H new ATOM 0 HB3 SER A 50 -12.052 0.352 1.242 1.00 73.23 H new ATOM 0 HG SER A 50 -11.862 2.576 2.062 1.00 43.43 H new ATOM 742 N SER A 51 -9.486 -1.484 0.723 1.00 53.23 N ATOM 743 CA SER A 51 -9.316 -2.596 -0.193 1.00 13.14 C ATOM 744 C SER A 51 -7.969 -3.256 0.061 1.00 50.22 C ATOM 745 O SER A 51 -6.964 -2.592 0.339 1.00 2.24 O ATOM 746 CB SER A 51 -9.520 -2.150 -1.656 1.00 4.25 C ATOM 747 OG SER A 51 -8.303 -1.866 -2.323 1.00 52.40 O ATOM 0 H SER A 51 -9.009 -0.629 0.439 1.00 53.23 H new ATOM 0 HA SER A 51 -10.085 -3.347 -0.012 1.00 13.14 H new ATOM 0 HB2 SER A 51 -10.051 -2.933 -2.198 1.00 4.25 H new ATOM 0 HB3 SER A 51 -10.154 -1.263 -1.675 1.00 4.25 H new ATOM 0 HG SER A 51 -8.070 -0.923 -2.191 1.00 52.40 H new ATOM 753 N VAL A 52 -7.952 -4.571 -0.109 1.00 61.44 N ATOM 754 CA VAL A 52 -6.772 -5.371 -0.339 1.00 74.50 C ATOM 755 C VAL A 52 -7.182 -6.374 -1.413 1.00 32.31 C ATOM 756 O VAL A 52 -8.243 -6.998 -1.310 1.00 44.20 O ATOM 757 CB VAL A 52 -6.318 -6.056 0.967 1.00 35.33 C ATOM 758 CG1 VAL A 52 -5.059 -6.887 0.703 1.00 20.31 C ATOM 759 CG2 VAL A 52 -6.009 -5.067 2.102 1.00 44.32 C ATOM 0 H VAL A 52 -8.805 -5.129 -0.088 1.00 61.44 H new ATOM 0 HA VAL A 52 -5.916 -4.779 -0.665 1.00 74.50 H new ATOM 0 HB VAL A 52 -7.152 -6.680 1.288 1.00 35.33 H new ATOM 0 HG11 VAL A 52 -4.741 -7.369 1.627 1.00 20.31 H new ATOM 0 HG12 VAL A 52 -5.276 -7.647 -0.047 1.00 20.31 H new ATOM 0 HG13 VAL A 52 -4.263 -6.236 0.341 1.00 20.31 H new ATOM 0 HG21 VAL A 52 -5.696 -5.618 2.989 1.00 44.32 H new ATOM 0 HG22 VAL A 52 -5.209 -4.395 1.791 1.00 44.32 H new ATOM 0 HG23 VAL A 52 -6.902 -4.486 2.332 1.00 44.32 H new ATOM 769 N LYS A 53 -6.359 -6.531 -2.447 1.00 22.53 N ATOM 770 CA LYS A 53 -6.406 -7.676 -3.351 1.00 2.01 C ATOM 771 C LYS A 53 -5.166 -8.490 -3.072 1.00 3.35 C ATOM 772 O LYS A 53 -4.101 -7.908 -2.887 1.00 74.34 O ATOM 773 CB LYS A 53 -6.508 -7.225 -4.820 1.00 62.31 C ATOM 774 CG LYS A 53 -5.971 -8.252 -5.833 1.00 15.43 C ATOM 775 CD LYS A 53 -6.522 -8.050 -7.250 1.00 71.22 C ATOM 776 CE LYS A 53 -6.113 -6.751 -7.936 1.00 0.21 C ATOM 777 NZ LYS A 53 -4.839 -6.935 -8.659 1.00 51.40 N ATOM 0 H LYS A 53 -5.631 -5.857 -2.683 1.00 22.53 H new ATOM 0 HA LYS A 53 -7.295 -8.283 -3.182 1.00 2.01 H new ATOM 0 HB2 LYS A 53 -7.552 -7.014 -5.052 1.00 62.31 H new ATOM 0 HB3 LYS A 53 -5.959 -6.291 -4.941 1.00 62.31 H new ATOM 0 HG2 LYS A 53 -4.883 -8.190 -5.861 1.00 15.43 H new ATOM 0 HG3 LYS A 53 -6.224 -9.256 -5.492 1.00 15.43 H new ATOM 0 HD2 LYS A 53 -6.197 -8.886 -7.870 1.00 71.22 H new ATOM 0 HD3 LYS A 53 -7.610 -8.090 -7.207 1.00 71.22 H new ATOM 0 HE2 LYS A 53 -6.892 -6.437 -8.631 1.00 0.21 H new ATOM 0 HE3 LYS A 53 -6.008 -5.958 -7.196 1.00 0.21 H new ATOM 0 HZ1 LYS A 53 -4.113 -6.315 -8.247 1.00 51.40 H new ATOM 0 HZ2 LYS A 53 -4.534 -7.926 -8.578 1.00 51.40 H new ATOM 0 HZ3 LYS A 53 -4.971 -6.694 -9.662 1.00 51.40 H new ATOM 791 N GLU A 54 -5.315 -9.812 -3.088 1.00 75.23 N ATOM 792 CA GLU A 54 -4.242 -10.765 -2.813 1.00 21.52 C ATOM 793 C GLU A 54 -4.172 -11.877 -3.861 1.00 21.23 C ATOM 794 O GLU A 54 -3.175 -12.587 -3.923 1.00 72.44 O ATOM 795 CB GLU A 54 -4.405 -11.322 -1.385 1.00 24.23 C ATOM 796 CG GLU A 54 -5.744 -12.033 -1.141 1.00 73.23 C ATOM 797 CD GLU A 54 -5.875 -12.741 0.209 1.00 31.55 C ATOM 798 OE1 GLU A 54 -4.886 -12.966 0.936 1.00 35.22 O ATOM 799 OE2 GLU A 54 -7.022 -13.101 0.563 1.00 12.11 O ATOM 0 H GLU A 54 -6.206 -10.262 -3.297 1.00 75.23 H new ATOM 0 HA GLU A 54 -3.288 -10.241 -2.877 1.00 21.52 H new ATOM 0 HB2 GLU A 54 -3.593 -12.020 -1.183 1.00 24.23 H new ATOM 0 HB3 GLU A 54 -4.305 -10.503 -0.673 1.00 24.23 H new ATOM 0 HG2 GLU A 54 -6.546 -11.300 -1.227 1.00 73.23 H new ATOM 0 HG3 GLU A 54 -5.896 -12.766 -1.933 1.00 73.23 H new ATOM 806 N GLU A 55 -5.210 -12.032 -4.692 1.00 22.21 N ATOM 807 CA GLU A 55 -5.391 -13.248 -5.488 1.00 73.34 C ATOM 808 C GLU A 55 -6.127 -12.947 -6.799 1.00 53.42 C ATOM 809 O GLU A 55 -6.946 -13.715 -7.284 1.00 62.50 O ATOM 810 CB GLU A 55 -6.105 -14.319 -4.636 1.00 34.33 C ATOM 811 CG GLU A 55 -5.392 -15.668 -4.728 1.00 74.53 C ATOM 812 CD GLU A 55 -5.330 -16.202 -6.166 1.00 0.43 C ATOM 813 OE1 GLU A 55 -6.393 -16.549 -6.726 1.00 24.51 O ATOM 814 OE2 GLU A 55 -4.211 -16.252 -6.736 1.00 75.20 O ATOM 0 H GLU A 55 -5.936 -11.329 -4.829 1.00 22.21 H new ATOM 0 HA GLU A 55 -4.417 -13.644 -5.774 1.00 73.34 H new ATOM 0 HB2 GLU A 55 -6.141 -13.995 -3.596 1.00 34.33 H new ATOM 0 HB3 GLU A 55 -7.136 -14.427 -4.973 1.00 34.33 H new ATOM 0 HG2 GLU A 55 -4.380 -15.568 -4.337 1.00 74.53 H new ATOM 0 HG3 GLU A 55 -5.907 -16.392 -4.097 1.00 74.53 H new ATOM 821 N GLY A 56 -5.924 -11.757 -7.356 1.00 20.14 N ATOM 822 CA GLY A 56 -6.658 -11.345 -8.550 1.00 33.45 C ATOM 823 C GLY A 56 -8.026 -10.756 -8.214 1.00 0.35 C ATOM 824 O GLY A 56 -8.597 -10.049 -9.040 1.00 51.02 O ATOM 0 H GLY A 56 -5.263 -11.065 -7.004 1.00 20.14 H new ATOM 0 HA2 GLY A 56 -6.072 -10.607 -9.098 1.00 33.45 H new ATOM 0 HA3 GLY A 56 -6.786 -12.203 -9.209 1.00 33.45 H new ATOM 828 N LYS A 57 -8.510 -10.917 -6.979 1.00 61.23 N ATOM 829 CA LYS A 57 -9.762 -10.356 -6.480 1.00 44.33 C ATOM 830 C LYS A 57 -9.520 -9.667 -5.148 1.00 23.25 C ATOM 831 O LYS A 57 -8.555 -9.999 -4.446 1.00 24.21 O ATOM 832 CB LYS A 57 -10.840 -11.451 -6.398 1.00 43.42 C ATOM 833 CG LYS A 57 -10.446 -12.734 -5.634 1.00 12.12 C ATOM 834 CD LYS A 57 -10.809 -12.711 -4.143 1.00 4.15 C ATOM 835 CE LYS A 57 -10.085 -13.852 -3.418 1.00 75.04 C ATOM 836 NZ LYS A 57 -10.664 -14.135 -2.090 1.00 33.02 N ATOM 0 H LYS A 57 -8.018 -11.465 -6.273 1.00 61.23 H new ATOM 0 HA LYS A 57 -10.134 -9.601 -7.172 1.00 44.33 H new ATOM 0 HB2 LYS A 57 -11.725 -11.027 -5.924 1.00 43.42 H new ATOM 0 HB3 LYS A 57 -11.125 -11.729 -7.413 1.00 43.42 H new ATOM 0 HG2 LYS A 57 -10.935 -13.588 -6.103 1.00 12.12 H new ATOM 0 HG3 LYS A 57 -9.371 -12.888 -5.733 1.00 12.12 H new ATOM 0 HD2 LYS A 57 -10.529 -11.753 -3.705 1.00 4.15 H new ATOM 0 HD3 LYS A 57 -11.887 -12.815 -4.019 1.00 4.15 H new ATOM 0 HE2 LYS A 57 -10.130 -14.753 -4.030 1.00 75.04 H new ATOM 0 HE3 LYS A 57 -9.032 -13.596 -3.304 1.00 75.04 H new ATOM 0 HZ1 LYS A 57 -10.140 -14.913 -1.641 1.00 33.02 H new ATOM 0 HZ2 LYS A 57 -10.599 -13.285 -1.494 1.00 33.02 H new ATOM 0 HZ3 LYS A 57 -11.662 -14.407 -2.197 1.00 33.02 H new ATOM 850 N PHE A 58 -10.372 -8.695 -4.835 1.00 40.51 N ATOM 851 CA PHE A 58 -10.341 -7.946 -3.582 1.00 60.43 C ATOM 852 C PHE A 58 -11.129 -8.693 -2.493 1.00 63.42 C ATOM 853 O PHE A 58 -11.835 -9.661 -2.801 1.00 35.41 O ATOM 854 CB PHE A 58 -10.845 -6.517 -3.830 1.00 40.21 C ATOM 855 CG PHE A 58 -9.870 -5.671 -4.636 1.00 52.12 C ATOM 856 CD1 PHE A 58 -9.844 -5.732 -6.044 1.00 43.33 C ATOM 857 CD2 PHE A 58 -8.947 -4.844 -3.970 1.00 2.25 C ATOM 858 CE1 PHE A 58 -8.937 -4.942 -6.771 1.00 44.03 C ATOM 859 CE2 PHE A 58 -8.028 -4.066 -4.697 1.00 73.41 C ATOM 860 CZ PHE A 58 -8.031 -4.103 -6.101 1.00 13.15 C ATOM 0 H PHE A 58 -11.121 -8.399 -5.461 1.00 40.51 H new ATOM 0 HA PHE A 58 -9.319 -7.865 -3.213 1.00 60.43 H new ATOM 0 HB2 PHE A 58 -11.799 -6.561 -4.355 1.00 40.21 H new ATOM 0 HB3 PHE A 58 -11.031 -6.032 -2.872 1.00 40.21 H new ATOM 0 HD1 PHE A 58 -10.524 -6.389 -6.566 1.00 43.33 H new ATOM 0 HD2 PHE A 58 -8.944 -4.806 -2.891 1.00 2.25 H new ATOM 0 HE1 PHE A 58 -8.937 -4.980 -7.850 1.00 44.03 H new ATOM 0 HE2 PHE A 58 -7.320 -3.440 -4.175 1.00 73.41 H new ATOM 0 HZ PHE A 58 -7.341 -3.490 -6.662 1.00 13.15 H new ATOM 870 N LYS A 59 -10.980 -8.280 -1.227 1.00 64.11 N ATOM 871 CA LYS A 59 -11.575 -8.920 -0.049 1.00 73.41 C ATOM 872 C LYS A 59 -12.283 -7.884 0.838 1.00 44.22 C ATOM 873 O LYS A 59 -12.705 -6.835 0.355 1.00 64.43 O ATOM 874 CB LYS A 59 -10.512 -9.763 0.693 1.00 62.01 C ATOM 875 CG LYS A 59 -9.380 -8.915 1.307 1.00 73.22 C ATOM 876 CD LYS A 59 -8.763 -9.512 2.577 1.00 1.45 C ATOM 877 CE LYS A 59 -7.944 -10.763 2.274 1.00 4.04 C ATOM 878 NZ LYS A 59 -8.692 -12.024 2.422 1.00 24.11 N ATOM 0 H LYS A 59 -10.421 -7.461 -0.988 1.00 64.11 H new ATOM 0 HA LYS A 59 -12.353 -9.616 -0.362 1.00 73.41 H new ATOM 0 HB2 LYS A 59 -10.999 -10.334 1.484 1.00 62.01 H new ATOM 0 HB3 LYS A 59 -10.081 -10.484 -0.001 1.00 62.01 H new ATOM 0 HG2 LYS A 59 -8.595 -8.784 0.562 1.00 73.22 H new ATOM 0 HG3 LYS A 59 -9.769 -7.923 1.538 1.00 73.22 H new ATOM 0 HD2 LYS A 59 -8.127 -8.768 3.056 1.00 1.45 H new ATOM 0 HD3 LYS A 59 -9.555 -9.758 3.285 1.00 1.45 H new ATOM 0 HE2 LYS A 59 -7.563 -10.697 1.255 1.00 4.04 H new ATOM 0 HE3 LYS A 59 -7.079 -10.787 2.936 1.00 4.04 H new ATOM 0 HZ1 LYS A 59 -8.278 -12.748 1.800 1.00 24.11 H new ATOM 0 HZ2 LYS A 59 -8.639 -12.345 3.410 1.00 24.11 H new ATOM 0 HZ3 LYS A 59 -9.687 -11.870 2.160 1.00 24.11 H new ATOM 892 N GLU A 60 -12.425 -8.211 2.119 1.00 73.13 N ATOM 893 CA GLU A 60 -13.053 -7.435 3.188 1.00 64.34 C ATOM 894 C GLU A 60 -11.995 -7.239 4.275 1.00 44.12 C ATOM 895 O GLU A 60 -11.093 -8.079 4.360 1.00 12.55 O ATOM 896 CB GLU A 60 -14.226 -8.252 3.751 1.00 33.35 C ATOM 897 CG GLU A 60 -15.442 -8.281 2.839 1.00 31.34 C ATOM 898 CD GLU A 60 -16.441 -7.178 3.185 1.00 35.13 C ATOM 899 OE1 GLU A 60 -16.103 -5.992 2.941 1.00 64.41 O ATOM 900 OE2 GLU A 60 -17.545 -7.521 3.670 1.00 54.50 O ATOM 0 H GLU A 60 -12.074 -9.103 2.468 1.00 73.13 H new ATOM 0 HA GLU A 60 -13.421 -6.473 2.831 1.00 64.34 H new ATOM 0 HB2 GLU A 60 -13.893 -9.274 3.930 1.00 33.35 H new ATOM 0 HB3 GLU A 60 -14.516 -7.837 4.716 1.00 33.35 H new ATOM 0 HG2 GLU A 60 -15.122 -8.169 1.803 1.00 31.34 H new ATOM 0 HG3 GLU A 60 -15.932 -9.252 2.918 1.00 31.34 H new ATOM 907 N ASN A 61 -12.098 -6.203 5.118 1.00 72.21 N ATOM 908 CA ASN A 61 -11.001 -5.785 5.999 1.00 60.11 C ATOM 909 C ASN A 61 -11.461 -5.614 7.446 1.00 53.54 C ATOM 910 O ASN A 61 -12.087 -4.610 7.786 1.00 62.10 O ATOM 911 CB ASN A 61 -10.324 -4.508 5.465 1.00 51.21 C ATOM 912 CG ASN A 61 -8.818 -4.679 5.500 1.00 31.15 C ATOM 913 OD1 ASN A 61 -8.260 -5.250 4.571 1.00 21.32 O ATOM 914 ND2 ASN A 61 -8.147 -4.223 6.543 1.00 51.21 N ATOM 0 H ASN A 61 -12.940 -5.634 5.208 1.00 72.21 H new ATOM 0 HA ASN A 61 -10.259 -6.584 5.999 1.00 60.11 H new ATOM 0 HB2 ASN A 61 -10.654 -4.308 4.446 1.00 51.21 H new ATOM 0 HB3 ASN A 61 -10.617 -3.649 6.069 1.00 51.21 H new ATOM 0 HD21 ASN A 61 -7.135 -4.342 6.590 1.00 51.21 H new ATOM 0 HD22 ASN A 61 -8.641 -3.752 7.301 1.00 51.21 H new ATOM 921 N THR A 62 -11.149 -6.572 8.315 1.00 31.34 N ATOM 922 CA THR A 62 -11.548 -6.622 9.727 1.00 15.21 C ATOM 923 C THR A 62 -10.717 -5.664 10.616 1.00 2.53 C ATOM 924 O THR A 62 -10.648 -5.852 11.836 1.00 75.04 O ATOM 925 CB THR A 62 -11.597 -8.097 10.187 1.00 74.10 C ATOM 926 OG1 THR A 62 -11.866 -8.280 11.567 1.00 20.35 O ATOM 927 CG2 THR A 62 -10.328 -8.856 9.813 1.00 73.04 C ATOM 0 H THR A 62 -10.583 -7.376 8.044 1.00 31.34 H new ATOM 0 HA THR A 62 -12.558 -6.230 9.844 1.00 15.21 H new ATOM 0 HB THR A 62 -12.447 -8.510 9.644 1.00 74.10 H new ATOM 0 HG1 THR A 62 -11.574 -7.488 12.065 1.00 20.35 H new ATOM 0 HG21 THR A 62 -10.407 -9.888 10.156 1.00 73.04 H new ATOM 0 HG22 THR A 62 -10.201 -8.842 8.730 1.00 73.04 H new ATOM 0 HG23 THR A 62 -9.468 -8.382 10.285 1.00 73.04 H new ATOM 935 N SER A 63 -10.060 -4.642 10.052 1.00 52.44 N ATOM 936 CA SER A 63 -9.479 -3.495 10.758 1.00 32.25 C ATOM 937 C SER A 63 -9.308 -2.341 9.763 1.00 22.13 C ATOM 938 O SER A 63 -9.286 -2.577 8.555 1.00 1.32 O ATOM 939 CB SER A 63 -8.119 -3.886 11.353 1.00 24.04 C ATOM 940 OG SER A 63 -8.311 -4.746 12.454 1.00 35.35 O ATOM 0 H SER A 63 -9.913 -4.591 9.044 1.00 52.44 H new ATOM 0 HA SER A 63 -10.137 -3.184 11.570 1.00 32.25 H new ATOM 0 HB2 SER A 63 -7.509 -4.379 10.596 1.00 24.04 H new ATOM 0 HB3 SER A 63 -7.578 -2.993 11.667 1.00 24.04 H new ATOM 0 HG SER A 63 -9.263 -4.965 12.536 1.00 35.35 H new ATOM 946 N TYR A 64 -9.136 -1.109 10.256 1.00 43.30 N ATOM 947 CA TYR A 64 -9.055 0.120 9.454 1.00 1.35 C ATOM 948 C TYR A 64 -7.656 0.765 9.542 1.00 65.11 C ATOM 949 O TYR A 64 -7.488 1.970 9.362 1.00 4.44 O ATOM 950 CB TYR A 64 -10.220 1.068 9.846 1.00 13.53 C ATOM 951 CG TYR A 64 -11.442 1.063 8.937 1.00 70.30 C ATOM 952 CD1 TYR A 64 -12.010 -0.141 8.475 1.00 30.31 C ATOM 953 CD2 TYR A 64 -11.918 2.282 8.418 1.00 34.44 C ATOM 954 CE1 TYR A 64 -13.064 -0.119 7.537 1.00 21.33 C ATOM 955 CE2 TYR A 64 -12.971 2.317 7.485 1.00 72.32 C ATOM 956 CZ TYR A 64 -13.561 1.111 7.040 1.00 3.54 C ATOM 957 OH TYR A 64 -14.537 1.147 6.086 1.00 72.33 O ATOM 0 H TYR A 64 -9.046 -0.933 11.257 1.00 43.30 H new ATOM 0 HA TYR A 64 -9.180 -0.118 8.398 1.00 1.35 H new ATOM 0 HB2 TYR A 64 -10.545 0.809 10.854 1.00 13.53 H new ATOM 0 HB3 TYR A 64 -9.831 2.085 9.888 1.00 13.53 H new ATOM 0 HD1 TYR A 64 -11.637 -1.086 8.841 1.00 30.31 H new ATOM 0 HD2 TYR A 64 -11.466 3.208 8.742 1.00 34.44 H new ATOM 0 HE1 TYR A 64 -13.496 -1.048 7.195 1.00 21.33 H new ATOM 0 HE2 TYR A 64 -13.328 3.264 7.109 1.00 72.32 H new ATOM 0 HH TYR A 64 -14.750 2.079 5.871 1.00 72.33 H new ATOM 967 N LYS A 65 -6.623 -0.021 9.844 1.00 65.51 N ATOM 968 CA LYS A 65 -5.254 0.474 10.038 1.00 54.24 C ATOM 969 C LYS A 65 -4.222 -0.617 9.795 1.00 24.22 C ATOM 970 O LYS A 65 -3.157 -0.344 9.249 1.00 2.05 O ATOM 971 CB LYS A 65 -5.074 1.055 11.455 1.00 54.40 C ATOM 972 CG LYS A 65 -5.847 0.301 12.549 1.00 72.10 C ATOM 973 CD LYS A 65 -5.372 0.700 13.946 1.00 11.05 C ATOM 974 CE LYS A 65 -6.390 0.258 15.003 1.00 54.44 C ATOM 975 NZ LYS A 65 -7.542 1.182 15.069 1.00 44.34 N ATOM 0 H LYS A 65 -6.711 -1.030 9.963 1.00 65.51 H new ATOM 0 HA LYS A 65 -5.094 1.265 9.306 1.00 54.24 H new ATOM 0 HB2 LYS A 65 -4.013 1.049 11.706 1.00 54.40 H new ATOM 0 HB3 LYS A 65 -5.395 2.097 11.452 1.00 54.40 H new ATOM 0 HG2 LYS A 65 -6.913 0.509 12.452 1.00 72.10 H new ATOM 0 HG3 LYS A 65 -5.718 -0.773 12.413 1.00 72.10 H new ATOM 0 HD2 LYS A 65 -4.403 0.244 14.152 1.00 11.05 H new ATOM 0 HD3 LYS A 65 -5.233 1.780 13.995 1.00 11.05 H new ATOM 0 HE2 LYS A 65 -6.742 -0.747 14.772 1.00 54.44 H new ATOM 0 HE3 LYS A 65 -5.905 0.210 15.978 1.00 54.44 H new ATOM 0 HZ1 LYS A 65 -8.194 0.871 15.818 1.00 44.34 H new ATOM 0 HZ2 LYS A 65 -7.205 2.143 15.280 1.00 44.34 H new ATOM 0 HZ3 LYS A 65 -8.039 1.183 14.156 1.00 44.34 H new ATOM 989 N GLU A 66 -4.548 -1.848 10.170 1.00 0.21 N ATOM 990 CA GLU A 66 -3.696 -3.006 10.035 1.00 3.04 C ATOM 991 C GLU A 66 -4.402 -3.977 9.113 1.00 15.25 C ATOM 992 O GLU A 66 -5.630 -3.933 8.960 1.00 62.10 O ATOM 993 CB GLU A 66 -3.441 -3.624 11.421 1.00 44.43 C ATOM 994 CG GLU A 66 -2.081 -3.177 11.960 1.00 3.01 C ATOM 995 CD GLU A 66 -2.070 -3.104 13.480 1.00 44.01 C ATOM 996 OE1 GLU A 66 -2.151 -4.170 14.128 1.00 33.22 O ATOM 997 OE2 GLU A 66 -2.017 -1.972 14.011 1.00 51.11 O ATOM 0 H GLU A 66 -5.450 -2.067 10.592 1.00 0.21 H new ATOM 0 HA GLU A 66 -2.725 -2.743 9.615 1.00 3.04 H new ATOM 0 HB2 GLU A 66 -4.230 -3.324 12.111 1.00 44.43 H new ATOM 0 HB3 GLU A 66 -3.473 -4.711 11.353 1.00 44.43 H new ATOM 0 HG2 GLU A 66 -1.311 -3.872 11.624 1.00 3.01 H new ATOM 0 HG3 GLU A 66 -1.830 -2.200 11.548 1.00 3.01 H new ATOM 1004 N PHE A 67 -3.616 -4.864 8.521 1.00 62.22 N ATOM 1005 CA PHE A 67 -4.098 -6.007 7.784 1.00 15.32 C ATOM 1006 C PHE A 67 -2.967 -7.025 7.745 1.00 11.31 C ATOM 1007 O PHE A 67 -1.807 -6.641 7.601 1.00 71.31 O ATOM 1008 CB PHE A 67 -4.510 -5.570 6.376 1.00 32.31 C ATOM 1009 CG PHE A 67 -4.816 -6.768 5.508 1.00 55.33 C ATOM 1010 CD1 PHE A 67 -5.985 -7.516 5.738 1.00 12.12 C ATOM 1011 CD2 PHE A 67 -3.850 -7.231 4.594 1.00 40.24 C ATOM 1012 CE1 PHE A 67 -6.184 -8.722 5.047 1.00 73.13 C ATOM 1013 CE2 PHE A 67 -4.049 -8.436 3.903 1.00 13.12 C ATOM 1014 CZ PHE A 67 -5.220 -9.180 4.129 1.00 44.01 C ATOM 0 H PHE A 67 -2.598 -4.801 8.545 1.00 62.22 H new ATOM 0 HA PHE A 67 -4.975 -6.451 8.256 1.00 15.32 H new ATOM 0 HB2 PHE A 67 -5.386 -4.924 6.433 1.00 32.31 H new ATOM 0 HB3 PHE A 67 -3.710 -4.983 5.924 1.00 32.31 H new ATOM 0 HD1 PHE A 67 -6.725 -7.165 6.442 1.00 12.12 H new ATOM 0 HD2 PHE A 67 -2.952 -6.656 4.424 1.00 40.24 H new ATOM 0 HE1 PHE A 67 -7.080 -9.300 5.220 1.00 73.13 H new ATOM 0 HE2 PHE A 67 -3.307 -8.789 3.202 1.00 13.12 H new ATOM 0 HZ PHE A 67 -5.381 -10.106 3.597 1.00 44.01 H new ATOM 1024 N ASP A 68 -3.301 -8.305 7.850 1.00 3.14 N ATOM 1025 CA ASP A 68 -2.379 -9.430 7.815 1.00 1.25 C ATOM 1026 C ASP A 68 -2.971 -10.457 6.865 1.00 71.44 C ATOM 1027 O ASP A 68 -3.987 -11.088 7.163 1.00 62.51 O ATOM 1028 CB ASP A 68 -2.200 -9.998 9.220 1.00 32.52 C ATOM 1029 CG ASP A 68 -1.494 -11.353 9.265 1.00 41.23 C ATOM 1030 OD1 ASP A 68 -0.765 -11.697 8.312 1.00 75.30 O ATOM 1031 OD2 ASP A 68 -1.652 -12.016 10.318 1.00 64.20 O ATOM 0 H ASP A 68 -4.270 -8.600 7.968 1.00 3.14 H new ATOM 0 HA ASP A 68 -1.391 -9.130 7.467 1.00 1.25 H new ATOM 0 HB2 ASP A 68 -1.632 -9.285 9.818 1.00 32.52 H new ATOM 0 HB3 ASP A 68 -3.180 -10.096 9.687 1.00 32.52 H new ATOM 1036 N GLY A 69 -2.372 -10.563 5.686 1.00 35.55 N ATOM 1037 CA GLY A 69 -2.729 -11.511 4.646 1.00 1.15 C ATOM 1038 C GLY A 69 -1.776 -12.699 4.615 1.00 3.41 C ATOM 1039 O GLY A 69 -1.707 -13.384 3.592 1.00 52.21 O ATOM 0 H GLY A 69 -1.591 -9.963 5.420 1.00 35.55 H new ATOM 0 HA2 GLY A 69 -3.747 -11.865 4.810 1.00 1.15 H new ATOM 0 HA3 GLY A 69 -2.718 -11.010 3.678 1.00 1.15 H new ATOM 1043 N GLY A 70 -0.989 -12.930 5.666 1.00 15.44 N ATOM 1044 CA GLY A 70 -0.030 -14.010 5.719 1.00 61.23 C ATOM 1045 C GLY A 70 1.265 -13.558 5.074 1.00 52.44 C ATOM 1046 O GLY A 70 2.174 -13.118 5.769 1.00 75.53 O ATOM 0 H GLY A 70 -1.007 -12.359 6.511 1.00 15.44 H new ATOM 0 HA2 GLY A 70 0.148 -14.304 6.753 1.00 61.23 H new ATOM 0 HA3 GLY A 70 -0.422 -14.886 5.202 1.00 61.23 H new ATOM 1050 N TRP A 71 1.370 -13.624 3.745 1.00 4.13 N ATOM 1051 CA TRP A 71 2.582 -13.220 3.023 1.00 33.13 C ATOM 1052 C TRP A 71 2.632 -11.711 2.767 1.00 15.11 C ATOM 1053 O TRP A 71 3.427 -11.254 1.948 1.00 43.41 O ATOM 1054 CB TRP A 71 2.773 -14.068 1.748 1.00 24.42 C ATOM 1055 CG TRP A 71 1.765 -13.946 0.640 1.00 71.11 C ATOM 1056 CD1 TRP A 71 0.586 -14.601 0.581 1.00 43.13 C ATOM 1057 CD2 TRP A 71 1.864 -13.208 -0.620 1.00 33.44 C ATOM 1058 NE1 TRP A 71 -0.056 -14.312 -0.608 1.00 31.31 N ATOM 1059 CE2 TRP A 71 0.697 -13.473 -1.400 1.00 11.15 C ATOM 1060 CE3 TRP A 71 2.833 -12.365 -1.201 1.00 33.25 C ATOM 1061 CZ2 TRP A 71 0.492 -12.912 -2.673 1.00 63.44 C ATOM 1062 CZ3 TRP A 71 2.648 -11.804 -2.479 1.00 52.10 C ATOM 1063 CH2 TRP A 71 1.486 -12.081 -3.220 1.00 22.43 C ATOM 0 H TRP A 71 0.621 -13.958 3.139 1.00 4.13 H new ATOM 0 HA TRP A 71 3.439 -13.425 3.665 1.00 33.13 H new ATOM 0 HB2 TRP A 71 3.751 -13.824 1.333 1.00 24.42 H new ATOM 0 HB3 TRP A 71 2.807 -15.115 2.050 1.00 24.42 H new ATOM 0 HD1 TRP A 71 0.201 -15.255 1.350 1.00 43.13 H new ATOM 0 HE1 TRP A 71 -0.973 -14.675 -0.867 1.00 31.31 H new ATOM 0 HE3 TRP A 71 3.737 -12.145 -0.654 1.00 33.25 H new ATOM 0 HZ2 TRP A 71 -0.415 -13.116 -3.222 1.00 63.44 H new ATOM 0 HZ3 TRP A 71 3.405 -11.155 -2.894 1.00 52.10 H new ATOM 0 HH2 TRP A 71 1.357 -11.657 -4.205 1.00 22.43 H new ATOM 1074 N TYR A 72 1.796 -10.918 3.440 1.00 13.45 N ATOM 1075 CA TYR A 72 1.662 -9.496 3.202 1.00 14.44 C ATOM 1076 C TYR A 72 1.105 -8.907 4.491 1.00 34.41 C ATOM 1077 O TYR A 72 0.109 -9.419 5.008 1.00 42.21 O ATOM 1078 CB TYR A 72 0.711 -9.286 2.022 1.00 54.02 C ATOM 1079 CG TYR A 72 0.748 -7.895 1.431 1.00 71.24 C ATOM 1080 CD1 TYR A 72 0.150 -6.820 2.112 1.00 0.31 C ATOM 1081 CD2 TYR A 72 1.346 -7.687 0.172 1.00 4.35 C ATOM 1082 CE1 TYR A 72 0.196 -5.534 1.552 1.00 33.23 C ATOM 1083 CE2 TYR A 72 1.383 -6.401 -0.394 1.00 54.12 C ATOM 1084 CZ TYR A 72 0.830 -5.317 0.315 1.00 11.42 C ATOM 1085 OH TYR A 72 0.896 -4.054 -0.172 1.00 1.24 O ATOM 0 H TYR A 72 1.184 -11.263 4.180 1.00 13.45 H new ATOM 0 HA TYR A 72 2.606 -9.013 2.949 1.00 14.44 H new ATOM 0 HB2 TYR A 72 0.956 -10.006 1.241 1.00 54.02 H new ATOM 0 HB3 TYR A 72 -0.306 -9.502 2.348 1.00 54.02 H new ATOM 0 HD1 TYR A 72 -0.341 -6.983 3.060 1.00 0.31 H new ATOM 0 HD2 TYR A 72 1.778 -8.521 -0.361 1.00 4.35 H new ATOM 0 HE1 TYR A 72 -0.258 -4.705 2.074 1.00 33.23 H new ATOM 0 HE2 TYR A 72 1.832 -6.245 -1.364 1.00 54.12 H new ATOM 0 HH TYR A 72 1.335 -4.064 -1.048 1.00 1.24 H new ATOM 1095 N LEU A 73 1.747 -7.882 5.047 1.00 61.53 N ATOM 1096 CA LEU A 73 1.431 -7.368 6.377 1.00 33.24 C ATOM 1097 C LEU A 73 1.496 -5.846 6.349 1.00 42.22 C ATOM 1098 O LEU A 73 2.487 -5.303 5.857 1.00 13.11 O ATOM 1099 CB LEU A 73 2.407 -7.985 7.406 1.00 41.04 C ATOM 1100 CG LEU A 73 1.675 -8.650 8.584 1.00 33.53 C ATOM 1101 CD1 LEU A 73 2.646 -9.440 9.465 1.00 62.21 C ATOM 1102 CD2 LEU A 73 0.961 -7.623 9.463 1.00 64.14 C ATOM 0 H LEU A 73 2.506 -7.382 4.584 1.00 61.53 H new ATOM 0 HA LEU A 73 0.421 -7.649 6.676 1.00 33.24 H new ATOM 0 HB2 LEU A 73 3.035 -8.724 6.909 1.00 41.04 H new ATOM 0 HB3 LEU A 73 3.069 -7.207 7.786 1.00 41.04 H new ATOM 0 HG LEU A 73 0.939 -9.323 8.144 1.00 33.53 H new ATOM 0 HD11 LEU A 73 2.099 -9.898 10.289 1.00 62.21 H new ATOM 0 HD12 LEU A 73 3.126 -10.218 8.871 1.00 62.21 H new ATOM 0 HD13 LEU A 73 3.405 -8.767 9.863 1.00 62.21 H new ATOM 0 HD21 LEU A 73 0.457 -8.134 10.283 1.00 64.14 H new ATOM 0 HD22 LEU A 73 1.690 -6.920 9.867 1.00 64.14 H new ATOM 0 HD23 LEU A 73 0.227 -7.081 8.867 1.00 64.14 H new ATOM 1114 N VAL A 74 0.465 -5.161 6.852 1.00 13.44 N ATOM 1115 CA VAL A 74 0.269 -3.714 6.746 1.00 40.22 C ATOM 1116 C VAL A 74 0.059 -3.143 8.135 1.00 62.53 C ATOM 1117 O VAL A 74 -0.643 -3.759 8.938 1.00 44.00 O ATOM 1118 CB VAL A 74 -0.949 -3.350 5.858 1.00 22.41 C ATOM 1119 CG1 VAL A 74 -0.963 -1.842 5.575 1.00 40.02 C ATOM 1120 CG2 VAL A 74 -0.906 -4.107 4.528 1.00 74.11 C ATOM 0 H VAL A 74 -0.287 -5.620 7.366 1.00 13.44 H new ATOM 0 HA VAL A 74 1.158 -3.290 6.278 1.00 40.22 H new ATOM 0 HB VAL A 74 -1.852 -3.635 6.398 1.00 22.41 H new ATOM 0 HG11 VAL A 74 -1.822 -1.597 4.951 1.00 40.02 H new ATOM 0 HG12 VAL A 74 -1.031 -1.296 6.516 1.00 40.02 H new ATOM 0 HG13 VAL A 74 -0.046 -1.560 5.057 1.00 40.02 H new ATOM 0 HG21 VAL A 74 -1.772 -3.833 3.925 1.00 74.11 H new ATOM 0 HG22 VAL A 74 0.007 -3.848 3.991 1.00 74.11 H new ATOM 0 HG23 VAL A 74 -0.922 -5.180 4.719 1.00 74.11 H new ATOM 1130 N LYS A 75 0.624 -1.962 8.388 1.00 61.22 N ATOM 1131 CA LYS A 75 0.329 -1.103 9.524 1.00 42.22 C ATOM 1132 C LYS A 75 0.192 0.325 9.001 1.00 71.10 C ATOM 1133 O LYS A 75 0.826 0.670 7.998 1.00 63.44 O ATOM 1134 CB LYS A 75 1.461 -1.213 10.561 1.00 51.04 C ATOM 1135 CG LYS A 75 1.369 -2.515 11.381 1.00 34.35 C ATOM 1136 CD LYS A 75 2.693 -3.269 11.564 1.00 0.33 C ATOM 1137 CE LYS A 75 3.192 -3.727 10.189 1.00 51.14 C ATOM 1138 NZ LYS A 75 4.222 -4.779 10.236 1.00 4.11 N ATOM 0 H LYS A 75 1.334 -1.564 7.773 1.00 61.22 H new ATOM 0 HA LYS A 75 -0.597 -1.401 10.015 1.00 42.22 H new ATOM 0 HB2 LYS A 75 2.424 -1.173 10.052 1.00 51.04 H new ATOM 0 HB3 LYS A 75 1.420 -0.357 11.234 1.00 51.04 H new ATOM 0 HG2 LYS A 75 0.966 -2.277 12.366 1.00 34.35 H new ATOM 0 HG3 LYS A 75 0.655 -3.181 10.896 1.00 34.35 H new ATOM 0 HD2 LYS A 75 3.433 -2.624 12.039 1.00 0.33 H new ATOM 0 HD3 LYS A 75 2.551 -4.128 12.220 1.00 0.33 H new ATOM 0 HE2 LYS A 75 2.343 -4.092 9.611 1.00 51.14 H new ATOM 0 HE3 LYS A 75 3.594 -2.865 9.656 1.00 51.14 H new ATOM 0 HZ1 LYS A 75 4.505 -5.032 9.268 1.00 4.11 H new ATOM 0 HZ2 LYS A 75 5.051 -4.430 10.759 1.00 4.11 H new ATOM 0 HZ3 LYS A 75 3.839 -5.619 10.715 1.00 4.11 H new ATOM 1152 N ILE A 76 -0.617 1.144 9.670 1.00 30.15 N ATOM 1153 CA ILE A 76 -0.754 2.577 9.463 1.00 24.32 C ATOM 1154 C ILE A 76 -0.544 3.198 10.839 1.00 22.55 C ATOM 1155 O ILE A 76 -1.402 3.099 11.721 1.00 65.32 O ATOM 1156 CB ILE A 76 -2.109 2.941 8.799 1.00 61.53 C ATOM 1157 CG1 ILE A 76 -2.106 2.415 7.352 1.00 64.11 C ATOM 1158 CG2 ILE A 76 -2.298 4.476 8.808 1.00 2.11 C ATOM 1159 CD1 ILE A 76 -3.503 2.460 6.743 1.00 63.40 C ATOM 0 H ILE A 76 -1.227 0.802 10.412 1.00 30.15 H new ATOM 0 HA ILE A 76 -0.022 2.969 8.758 1.00 24.32 H new ATOM 0 HB ILE A 76 -2.931 2.486 9.352 1.00 61.53 H new ATOM 0 HG12 ILE A 76 -1.424 3.012 6.747 1.00 64.11 H new ATOM 0 HG13 ILE A 76 -1.733 1.391 7.336 1.00 64.11 H new ATOM 0 HG21 ILE A 76 -3.250 4.728 8.341 1.00 2.11 H new ATOM 0 HG22 ILE A 76 -2.291 4.837 9.836 1.00 2.11 H new ATOM 0 HG23 ILE A 76 -1.486 4.946 8.253 1.00 2.11 H new ATOM 0 HD11 ILE A 76 -3.467 2.082 5.721 1.00 63.40 H new ATOM 0 HD12 ILE A 76 -4.178 1.842 7.335 1.00 63.40 H new ATOM 0 HD13 ILE A 76 -3.864 3.488 6.737 1.00 63.40 H new ATOM 1171 N GLU A 77 0.613 3.822 11.047 1.00 11.05 N ATOM 1172 CA GLU A 77 0.943 4.505 12.287 1.00 34.14 C ATOM 1173 C GLU A 77 0.882 5.993 11.991 1.00 10.05 C ATOM 1174 O GLU A 77 1.821 6.582 11.448 1.00 1.24 O ATOM 1175 CB GLU A 77 2.295 4.045 12.831 1.00 11.34 C ATOM 1176 CG GLU A 77 2.234 2.548 13.172 1.00 73.22 C ATOM 1177 CD GLU A 77 3.055 2.114 14.384 1.00 50.20 C ATOM 1178 OE1 GLU A 77 3.930 2.854 14.881 1.00 41.40 O ATOM 1179 OE2 GLU A 77 2.829 0.973 14.846 1.00 2.33 O ATOM 0 H GLU A 77 1.354 3.866 10.348 1.00 11.05 H new ATOM 0 HA GLU A 77 0.235 4.265 13.080 1.00 34.14 H new ATOM 0 HB2 GLU A 77 3.076 4.228 12.093 1.00 11.34 H new ATOM 0 HB3 GLU A 77 2.555 4.620 13.720 1.00 11.34 H new ATOM 0 HG2 GLU A 77 1.193 2.275 13.344 1.00 73.22 H new ATOM 0 HG3 GLU A 77 2.573 1.982 12.304 1.00 73.22 H new ATOM 1186 N ASP A 78 -0.282 6.560 12.302 1.00 21.12 N ATOM 1187 CA ASP A 78 -0.687 7.951 12.133 1.00 42.40 C ATOM 1188 C ASP A 78 -0.775 8.287 10.647 1.00 63.52 C ATOM 1189 O ASP A 78 -1.874 8.327 10.091 1.00 31.31 O ATOM 1190 CB ASP A 78 0.195 8.917 12.953 1.00 21.41 C ATOM 1191 CG ASP A 78 0.281 8.512 14.425 1.00 11.05 C ATOM 1192 OD1 ASP A 78 -0.764 8.202 15.039 1.00 34.44 O ATOM 1193 OD2 ASP A 78 1.416 8.438 14.960 1.00 42.40 O ATOM 0 H ASP A 78 -1.032 6.006 12.716 1.00 21.12 H new ATOM 0 HA ASP A 78 -1.687 8.087 12.546 1.00 42.40 H new ATOM 0 HB2 ASP A 78 1.197 8.942 12.526 1.00 21.41 H new ATOM 0 HB3 ASP A 78 -0.209 9.927 12.879 1.00 21.41 H new ATOM 1198 N ASN A 79 0.362 8.482 9.976 1.00 22.43 N ATOM 1199 CA ASN A 79 0.448 8.696 8.539 1.00 33.12 C ATOM 1200 C ASN A 79 1.583 7.927 7.864 1.00 24.11 C ATOM 1201 O ASN A 79 1.840 8.169 6.677 1.00 34.53 O ATOM 1202 CB ASN A 79 0.519 10.191 8.235 1.00 74.43 C ATOM 1203 CG ASN A 79 1.825 10.866 8.629 1.00 73.30 C ATOM 1204 OD1 ASN A 79 1.882 11.708 9.517 1.00 23.24 O ATOM 1205 ND2 ASN A 79 2.895 10.553 7.930 1.00 13.24 N ATOM 0 H ASN A 79 1.272 8.495 10.436 1.00 22.43 H new ATOM 0 HA ASN A 79 -0.464 8.285 8.106 1.00 33.12 H new ATOM 0 HB2 ASN A 79 0.360 10.337 7.167 1.00 74.43 H new ATOM 0 HB3 ASN A 79 -0.301 10.691 8.751 1.00 74.43 H new ATOM 0 HD21 ASN A 79 3.784 11.013 8.125 1.00 13.24 H new ATOM 0 HD22 ASN A 79 2.835 9.850 7.193 1.00 13.24 H new ATOM 1212 N GLU A 80 2.276 7.039 8.574 1.00 25.54 N ATOM 1213 CA GLU A 80 3.271 6.148 8.003 1.00 45.32 C ATOM 1214 C GLU A 80 2.599 4.806 7.741 1.00 24.15 C ATOM 1215 O GLU A 80 2.332 4.029 8.661 1.00 1.25 O ATOM 1216 CB GLU A 80 4.522 6.005 8.883 1.00 33.15 C ATOM 1217 CG GLU A 80 5.478 7.196 8.702 1.00 23.25 C ATOM 1218 CD GLU A 80 6.886 6.993 9.276 1.00 63.33 C ATOM 1219 OE1 GLU A 80 7.222 5.898 9.788 1.00 13.22 O ATOM 1220 OE2 GLU A 80 7.715 7.917 9.085 1.00 24.43 O ATOM 0 H GLU A 80 2.156 6.920 9.580 1.00 25.54 H new ATOM 0 HA GLU A 80 3.638 6.572 7.068 1.00 45.32 H new ATOM 0 HB2 GLU A 80 4.226 5.931 9.929 1.00 33.15 H new ATOM 0 HB3 GLU A 80 5.041 5.080 8.632 1.00 33.15 H new ATOM 0 HG2 GLU A 80 5.564 7.414 7.638 1.00 23.25 H new ATOM 0 HG3 GLU A 80 5.034 8.073 9.172 1.00 23.25 H new ATOM 1227 N LEU A 81 2.273 4.563 6.475 1.00 21.52 N ATOM 1228 CA LEU A 81 1.864 3.262 5.966 1.00 31.52 C ATOM 1229 C LEU A 81 3.138 2.440 5.795 1.00 62.34 C ATOM 1230 O LEU A 81 4.070 2.904 5.138 1.00 25.33 O ATOM 1231 CB LEU A 81 1.143 3.467 4.619 1.00 25.55 C ATOM 1232 CG LEU A 81 0.931 2.186 3.786 1.00 61.20 C ATOM 1233 CD1 LEU A 81 -0.202 1.357 4.393 1.00 43.10 C ATOM 1234 CD2 LEU A 81 0.594 2.550 2.337 1.00 13.02 C ATOM 0 H LEU A 81 2.287 5.287 5.757 1.00 21.52 H new ATOM 0 HA LEU A 81 1.179 2.746 6.639 1.00 31.52 H new ATOM 0 HB2 LEU A 81 0.171 3.921 4.811 1.00 25.55 H new ATOM 0 HB3 LEU A 81 1.715 4.178 4.023 1.00 25.55 H new ATOM 0 HG LEU A 81 1.849 1.599 3.796 1.00 61.20 H new ATOM 0 HD11 LEU A 81 -0.349 0.453 3.802 1.00 43.10 H new ATOM 0 HD12 LEU A 81 0.055 1.083 5.416 1.00 43.10 H new ATOM 0 HD13 LEU A 81 -1.121 1.943 4.394 1.00 43.10 H new ATOM 0 HD21 LEU A 81 0.446 1.639 1.758 1.00 13.02 H new ATOM 0 HD22 LEU A 81 -0.318 3.146 2.314 1.00 13.02 H new ATOM 0 HD23 LEU A 81 1.414 3.125 1.906 1.00 13.02 H new ATOM 1246 N LYS A 82 3.206 1.232 6.349 1.00 12.22 N ATOM 1247 CA LYS A 82 4.340 0.335 6.134 1.00 74.34 C ATOM 1248 C LYS A 82 3.757 -0.984 5.677 1.00 61.21 C ATOM 1249 O LYS A 82 2.873 -1.508 6.362 1.00 24.24 O ATOM 1250 CB LYS A 82 5.195 0.187 7.410 1.00 64.13 C ATOM 1251 CG LYS A 82 5.772 1.538 7.870 1.00 70.14 C ATOM 1252 CD LYS A 82 6.306 1.577 9.311 1.00 10.14 C ATOM 1253 CE LYS A 82 6.207 3.049 9.744 1.00 25.45 C ATOM 1254 NZ LYS A 82 7.004 3.440 10.923 1.00 65.53 N ATOM 0 H LYS A 82 2.482 0.848 6.956 1.00 12.22 H new ATOM 0 HA LYS A 82 5.021 0.732 5.381 1.00 74.34 H new ATOM 0 HB2 LYS A 82 4.587 -0.239 8.208 1.00 64.13 H new ATOM 0 HB3 LYS A 82 6.010 -0.512 7.223 1.00 64.13 H new ATOM 0 HG2 LYS A 82 6.581 1.816 7.194 1.00 70.14 H new ATOM 0 HG3 LYS A 82 4.997 2.297 7.768 1.00 70.14 H new ATOM 0 HD2 LYS A 82 5.717 0.935 9.966 1.00 10.14 H new ATOM 0 HD3 LYS A 82 7.336 1.222 9.358 1.00 10.14 H new ATOM 0 HE2 LYS A 82 6.510 3.674 8.904 1.00 25.45 H new ATOM 0 HE3 LYS A 82 5.161 3.276 9.948 1.00 25.45 H new ATOM 0 HZ1 LYS A 82 7.295 4.434 10.831 1.00 65.53 H new ATOM 0 HZ2 LYS A 82 6.431 3.325 11.783 1.00 65.53 H new ATOM 0 HZ3 LYS A 82 7.849 2.836 10.987 1.00 65.53 H new ATOM 1268 N VAL A 83 4.251 -1.562 4.582 1.00 10.42 N ATOM 1269 CA VAL A 83 3.856 -2.906 4.170 1.00 13.13 C ATOM 1270 C VAL A 83 5.136 -3.728 4.143 1.00 15.13 C ATOM 1271 O VAL A 83 6.180 -3.216 3.731 1.00 51.23 O ATOM 1272 CB VAL A 83 3.073 -2.950 2.836 1.00 55.03 C ATOM 1273 CG1 VAL A 83 2.000 -1.854 2.748 1.00 25.23 C ATOM 1274 CG2 VAL A 83 3.948 -2.941 1.577 1.00 30.12 C ATOM 0 H VAL A 83 4.928 -1.117 3.963 1.00 10.42 H new ATOM 0 HA VAL A 83 3.139 -3.322 4.877 1.00 13.13 H new ATOM 0 HB VAL A 83 2.581 -3.922 2.857 1.00 55.03 H new ATOM 0 HG11 VAL A 83 1.480 -1.929 1.793 1.00 25.23 H new ATOM 0 HG12 VAL A 83 1.285 -1.979 3.561 1.00 25.23 H new ATOM 0 HG13 VAL A 83 2.473 -0.875 2.828 1.00 25.23 H new ATOM 0 HG21 VAL A 83 3.313 -2.974 0.692 1.00 30.12 H new ATOM 0 HG22 VAL A 83 4.549 -2.032 1.558 1.00 30.12 H new ATOM 0 HG23 VAL A 83 4.605 -3.811 1.584 1.00 30.12 H new ATOM 1284 N ILE A 84 5.078 -4.985 4.576 1.00 72.20 N ATOM 1285 CA ILE A 84 6.121 -5.962 4.301 1.00 55.23 C ATOM 1286 C ILE A 84 5.456 -7.073 3.487 1.00 72.14 C ATOM 1287 O ILE A 84 4.261 -7.331 3.663 1.00 3.03 O ATOM 1288 CB ILE A 84 6.783 -6.483 5.592 1.00 52.13 C ATOM 1289 CG1 ILE A 84 6.986 -5.480 6.729 1.00 11.25 C ATOM 1290 CG2 ILE A 84 8.105 -7.195 5.285 1.00 75.20 C ATOM 1291 CD1 ILE A 84 7.633 -4.151 6.426 1.00 55.21 C ATOM 0 H ILE A 84 4.303 -5.353 5.128 1.00 72.20 H new ATOM 0 HA ILE A 84 6.941 -5.515 3.739 1.00 55.23 H new ATOM 0 HB ILE A 84 6.039 -7.179 5.979 1.00 52.13 H new ATOM 0 HG12 ILE A 84 6.009 -5.278 7.168 1.00 11.25 H new ATOM 0 HG13 ILE A 84 7.585 -5.970 7.497 1.00 11.25 H new ATOM 0 HG21 ILE A 84 8.550 -7.552 6.214 1.00 75.20 H new ATOM 0 HG22 ILE A 84 7.918 -8.041 4.624 1.00 75.20 H new ATOM 0 HG23 ILE A 84 8.789 -6.499 4.799 1.00 75.20 H new ATOM 0 HD11 ILE A 84 7.700 -3.562 7.341 1.00 55.21 H new ATOM 0 HD12 ILE A 84 8.633 -4.316 6.026 1.00 55.21 H new ATOM 0 HD13 ILE A 84 7.033 -3.613 5.692 1.00 55.21 H new ATOM 1303 N ILE A 85 6.219 -7.710 2.601 1.00 41.42 N ATOM 1304 CA ILE A 85 5.777 -8.786 1.719 1.00 11.43 C ATOM 1305 C ILE A 85 6.768 -9.935 1.872 1.00 14.24 C ATOM 1306 O ILE A 85 7.969 -9.722 1.714 1.00 3.44 O ATOM 1307 CB ILE A 85 5.676 -8.290 0.260 1.00 3.15 C ATOM 1308 CG1 ILE A 85 4.831 -6.997 0.214 1.00 64.11 C ATOM 1309 CG2 ILE A 85 5.081 -9.397 -0.632 1.00 34.43 C ATOM 1310 CD1 ILE A 85 4.600 -6.424 -1.179 1.00 54.14 C ATOM 0 H ILE A 85 7.204 -7.480 2.473 1.00 41.42 H new ATOM 0 HA ILE A 85 4.778 -9.129 1.989 1.00 11.43 H new ATOM 0 HB ILE A 85 6.669 -8.058 -0.125 1.00 3.15 H new ATOM 0 HG12 ILE A 85 3.863 -7.198 0.672 1.00 64.11 H new ATOM 0 HG13 ILE A 85 5.322 -6.239 0.825 1.00 64.11 H new ATOM 0 HG21 ILE A 85 5.013 -9.039 -1.659 1.00 34.43 H new ATOM 0 HG22 ILE A 85 5.723 -10.277 -0.596 1.00 34.43 H new ATOM 0 HG23 ILE A 85 4.086 -9.658 -0.272 1.00 34.43 H new ATOM 0 HD11 ILE A 85 3.997 -5.519 -1.105 1.00 54.14 H new ATOM 0 HD12 ILE A 85 5.559 -6.185 -1.638 1.00 54.14 H new ATOM 0 HD13 ILE A 85 4.078 -7.158 -1.792 1.00 54.14 H new ATOM 1322 N ASN A 86 6.261 -11.122 2.208 1.00 15.04 N ATOM 1323 CA ASN A 86 7.063 -12.300 2.500 1.00 23.52 C ATOM 1324 C ASN A 86 7.477 -13.000 1.209 1.00 35.31 C ATOM 1325 O ASN A 86 6.949 -12.750 0.124 1.00 14.33 O ATOM 1326 CB ASN A 86 6.319 -13.292 3.424 1.00 14.15 C ATOM 1327 CG ASN A 86 5.861 -12.769 4.788 1.00 33.15 C ATOM 1328 OD1 ASN A 86 5.147 -13.463 5.507 1.00 31.53 O ATOM 1329 ND2 ASN A 86 6.232 -11.564 5.183 1.00 32.54 N ATOM 0 H ASN A 86 5.258 -11.290 2.285 1.00 15.04 H new ATOM 0 HA ASN A 86 7.955 -11.960 3.026 1.00 23.52 H new ATOM 0 HB2 ASN A 86 5.442 -13.657 2.890 1.00 14.15 H new ATOM 0 HB3 ASN A 86 6.970 -14.150 3.592 1.00 14.15 H new ATOM 0 HD21 ASN A 86 5.925 -11.207 6.088 1.00 32.54 H new ATOM 0 HD22 ASN A 86 6.825 -10.991 4.583 1.00 32.54 H new ATOM 1336 N ARG A 87 8.416 -13.927 1.354 1.00 23.41 N ATOM 1337 CA ARG A 87 9.015 -14.712 0.293 1.00 33.51 C ATOM 1338 C ARG A 87 8.034 -15.744 -0.257 1.00 62.12 C ATOM 1339 O ARG A 87 7.325 -16.431 0.485 1.00 15.25 O ATOM 1340 CB ARG A 87 10.307 -15.319 0.855 1.00 32.22 C ATOM 1341 CG ARG A 87 11.040 -16.238 -0.114 1.00 71.33 C ATOM 1342 CD ARG A 87 10.631 -17.704 0.055 1.00 15.02 C ATOM 1343 NE ARG A 87 11.801 -18.499 0.449 1.00 32.14 N ATOM 1344 CZ ARG A 87 12.777 -18.819 -0.410 1.00 31.45 C ATOM 1345 NH1 ARG A 87 12.573 -18.716 -1.719 1.00 42.10 N ATOM 1346 NH2 ARG A 87 13.951 -19.232 0.049 1.00 20.55 N ATOM 0 H ARG A 87 8.799 -14.161 2.270 1.00 23.41 H new ATOM 0 HA ARG A 87 9.265 -14.093 -0.569 1.00 33.51 H new ATOM 0 HB2 ARG A 87 10.977 -14.511 1.148 1.00 32.22 H new ATOM 0 HB3 ARG A 87 10.068 -15.879 1.759 1.00 32.22 H new ATOM 0 HG2 ARG A 87 10.836 -15.921 -1.137 1.00 71.33 H new ATOM 0 HG3 ARG A 87 12.115 -16.143 0.040 1.00 71.33 H new ATOM 0 HD2 ARG A 87 9.850 -17.789 0.810 1.00 15.02 H new ATOM 0 HD3 ARG A 87 10.216 -18.086 -0.878 1.00 15.02 H new ATOM 0 HE ARG A 87 11.873 -18.820 1.415 1.00 32.14 H new ATOM 0 HH11 ARG A 87 11.672 -18.393 -2.071 1.00 42.10 H new ATOM 0 HH12 ARG A 87 13.318 -18.960 -2.372 1.00 42.10 H new ATOM 0 HH21 ARG A 87 14.109 -19.305 1.054 1.00 20.55 H new ATOM 0 HH22 ARG A 87 14.696 -19.476 -0.603 1.00 20.55 H new ATOM 1360 N ASN A 88 8.030 -15.879 -1.573 1.00 64.10 N ATOM 1361 CA ASN A 88 7.239 -16.806 -2.348 1.00 23.41 C ATOM 1362 C ASN A 88 7.850 -18.196 -2.278 1.00 1.01 C ATOM 1363 O ASN A 88 8.990 -18.397 -2.683 1.00 62.10 O ATOM 1364 CB ASN A 88 7.153 -16.315 -3.803 1.00 14.32 C ATOM 1365 CG ASN A 88 6.146 -17.083 -4.641 1.00 34.23 C ATOM 1366 OD1 ASN A 88 5.549 -18.058 -4.194 1.00 51.24 O ATOM 1367 ND2 ASN A 88 5.915 -16.643 -5.864 1.00 11.23 N ATOM 0 H ASN A 88 8.624 -15.299 -2.165 1.00 64.10 H new ATOM 0 HA ASN A 88 6.230 -16.859 -1.938 1.00 23.41 H new ATOM 0 HB2 ASN A 88 6.887 -15.258 -3.807 1.00 14.32 H new ATOM 0 HB3 ASN A 88 8.137 -16.397 -4.265 1.00 14.32 H new ATOM 0 HD21 ASN A 88 5.230 -17.115 -6.455 1.00 11.23 H new ATOM 0 HD22 ASN A 88 6.421 -15.831 -6.218 1.00 11.23 H new ATOM 1374 N GLU A 89 7.125 -19.157 -1.720 1.00 53.24 N ATOM 1375 CA GLU A 89 7.545 -20.558 -1.635 1.00 33.14 C ATOM 1376 C GLU A 89 6.836 -21.412 -2.697 1.00 44.42 C ATOM 1377 O GLU A 89 6.634 -22.612 -2.499 1.00 62.22 O ATOM 1378 CB GLU A 89 7.336 -21.066 -0.200 1.00 1.44 C ATOM 1379 CG GLU A 89 5.859 -21.025 0.233 1.00 31.35 C ATOM 1380 CD GLU A 89 5.171 -22.377 0.432 1.00 44.34 C ATOM 1381 OE1 GLU A 89 5.832 -23.398 0.729 1.00 21.54 O ATOM 1382 OE2 GLU A 89 3.918 -22.390 0.319 1.00 14.25 O ATOM 0 H GLU A 89 6.210 -18.985 -1.304 1.00 53.24 H new ATOM 0 HA GLU A 89 8.609 -20.642 -1.857 1.00 33.14 H new ATOM 0 HB2 GLU A 89 7.705 -22.089 -0.123 1.00 1.44 H new ATOM 0 HB3 GLU A 89 7.929 -20.461 0.486 1.00 1.44 H new ATOM 0 HG2 GLU A 89 5.792 -20.467 1.167 1.00 31.35 H new ATOM 0 HG3 GLU A 89 5.299 -20.463 -0.515 1.00 31.35 H new ATOM 1389 N THR A 90 6.407 -20.786 -3.795 1.00 64.32 N ATOM 1390 CA THR A 90 5.863 -21.475 -4.951 1.00 1.34 C ATOM 1391 C THR A 90 6.495 -20.969 -6.248 1.00 61.51 C ATOM 1392 O THR A 90 6.942 -19.827 -6.372 1.00 40.10 O ATOM 1393 CB THR A 90 4.330 -21.354 -4.983 1.00 43.21 C ATOM 1394 OG1 THR A 90 3.914 -20.004 -5.021 1.00 44.12 O ATOM 1395 CG2 THR A 90 3.647 -22.024 -3.787 1.00 55.40 C ATOM 0 H THR A 90 6.431 -19.772 -3.900 1.00 64.32 H new ATOM 0 HA THR A 90 6.112 -22.533 -4.864 1.00 1.34 H new ATOM 0 HB THR A 90 4.028 -21.871 -5.894 1.00 43.21 H new ATOM 0 HG1 THR A 90 4.698 -19.418 -4.964 1.00 44.12 H new ATOM 0 HG21 THR A 90 2.567 -21.903 -3.870 1.00 55.40 H new ATOM 0 HG22 THR A 90 3.893 -23.086 -3.775 1.00 55.40 H new ATOM 0 HG23 THR A 90 3.994 -21.561 -2.863 1.00 55.40 H new ATOM 1403 N ASN A 91 6.433 -21.841 -7.245 1.00 72.51 N ATOM 1404 CA ASN A 91 6.873 -21.675 -8.623 1.00 11.44 C ATOM 1405 C ASN A 91 6.010 -20.735 -9.465 1.00 53.34 C ATOM 1406 O ASN A 91 6.276 -20.621 -10.662 1.00 40.21 O ATOM 1407 CB ASN A 91 6.904 -23.070 -9.274 1.00 53.31 C ATOM 1408 CG ASN A 91 5.513 -23.672 -9.398 1.00 34.13 C ATOM 1409 OD1 ASN A 91 5.023 -24.315 -8.354 1.00 60.41 O flip ATOM 1410 ND2 ASN A 91 4.845 -23.556 -10.419 1.00 22.13 N flip ATOM 0 H ASN A 91 6.036 -22.769 -7.095 1.00 72.51 H new ATOM 0 HA ASN A 91 7.856 -21.205 -8.591 1.00 11.44 H new ATOM 0 HB2 ASN A 91 7.358 -22.999 -10.263 1.00 53.31 H new ATOM 0 HB3 ASN A 91 7.534 -23.733 -8.681 1.00 53.31 H new ATOM 0 HD21 ASN A 91 5.226 -23.059 -11.224 1.00 22.13 H new ATOM 0 HD22 ASN A 91 3.908 -23.957 -10.464 1.00 22.13 H new ATOM 1417 N ALA A 92 5.009 -20.069 -8.882 1.00 21.31 N ATOM 1418 CA ALA A 92 4.069 -19.223 -9.597 1.00 0.14 C ATOM 1419 C ALA A 92 4.105 -17.808 -9.032 1.00 12.33 C ATOM 1420 O ALA A 92 4.121 -17.630 -7.810 1.00 40.21 O ATOM 1421 CB ALA A 92 2.666 -19.821 -9.485 1.00 24.21 C ATOM 0 H ALA A 92 4.832 -20.109 -7.878 1.00 21.31 H new ATOM 0 HA ALA A 92 4.347 -19.172 -10.650 1.00 0.14 H new ATOM 0 HB1 ALA A 92 1.957 -19.189 -10.020 1.00 24.21 H new ATOM 0 HB2 ALA A 92 2.661 -20.821 -9.919 1.00 24.21 H new ATOM 0 HB3 ALA A 92 2.378 -19.880 -8.435 1.00 24.21 H new ATOM 1427 N SER A 93 4.126 -16.801 -9.905 1.00 43.00 N ATOM 1428 CA SER A 93 4.011 -15.412 -9.550 1.00 2.04 C ATOM 1429 C SER A 93 2.608 -15.028 -9.106 1.00 73.43 C ATOM 1430 O SER A 93 1.607 -15.685 -9.422 1.00 14.01 O ATOM 1431 CB SER A 93 4.547 -14.607 -10.727 1.00 42.30 C ATOM 1432 OG SER A 93 3.580 -14.206 -11.672 1.00 73.52 O ATOM 0 H SER A 93 4.227 -16.949 -10.909 1.00 43.00 H new ATOM 0 HA SER A 93 4.607 -15.187 -8.666 1.00 2.04 H new ATOM 0 HB2 SER A 93 5.045 -13.717 -10.341 1.00 42.30 H new ATOM 0 HB3 SER A 93 5.305 -15.201 -11.237 1.00 42.30 H new ATOM 0 HG SER A 93 4.014 -13.696 -12.387 1.00 73.52 H new ATOM 1438 N ARG A 94 2.555 -13.934 -8.357 1.00 75.21 N ATOM 1439 CA ARG A 94 1.368 -13.509 -7.621 1.00 71.13 C ATOM 1440 C ARG A 94 1.314 -11.981 -7.581 1.00 61.52 C ATOM 1441 O ARG A 94 2.253 -11.314 -8.013 1.00 53.20 O ATOM 1442 CB ARG A 94 1.329 -14.236 -6.254 1.00 73.14 C ATOM 1443 CG ARG A 94 2.667 -14.447 -5.513 1.00 73.41 C ATOM 1444 CD ARG A 94 2.472 -15.126 -4.149 1.00 3.05 C ATOM 1445 NE ARG A 94 2.529 -16.599 -4.170 1.00 51.32 N ATOM 1446 CZ ARG A 94 2.019 -17.382 -3.204 1.00 43.31 C ATOM 1447 NH1 ARG A 94 1.308 -16.872 -2.202 1.00 40.41 N ATOM 1448 NH2 ARG A 94 2.214 -18.691 -3.216 1.00 44.42 N ATOM 0 H ARG A 94 3.349 -13.305 -8.241 1.00 75.21 H new ATOM 0 HA ARG A 94 0.443 -13.802 -8.118 1.00 71.13 H new ATOM 0 HB2 ARG A 94 0.666 -13.675 -5.595 1.00 73.14 H new ATOM 0 HB3 ARG A 94 0.873 -15.214 -6.408 1.00 73.14 H new ATOM 0 HG2 ARG A 94 3.330 -15.055 -6.129 1.00 73.41 H new ATOM 0 HG3 ARG A 94 3.158 -13.484 -5.371 1.00 73.41 H new ATOM 0 HD2 ARG A 94 3.236 -14.758 -3.465 1.00 3.05 H new ATOM 0 HD3 ARG A 94 1.507 -14.821 -3.743 1.00 3.05 H new ATOM 0 HE ARG A 94 2.982 -17.050 -4.964 1.00 51.32 H new ATOM 0 HH11 ARG A 94 1.140 -15.867 -2.156 1.00 40.41 H new ATOM 0 HH12 ARG A 94 0.931 -17.486 -1.480 1.00 40.41 H new ATOM 0 HH21 ARG A 94 2.758 -19.119 -3.965 1.00 44.42 H new ATOM 0 HH22 ARG A 94 1.821 -19.272 -2.476 1.00 44.42 H new ATOM 1462 N SER A 95 0.219 -11.352 -7.152 1.00 61.44 N ATOM 1463 CA SER A 95 0.160 -9.887 -7.101 1.00 31.22 C ATOM 1464 C SER A 95 -0.834 -9.413 -6.056 1.00 41.12 C ATOM 1465 O SER A 95 -1.814 -10.102 -5.770 1.00 35.55 O ATOM 1466 CB SER A 95 -0.241 -9.293 -8.462 1.00 21.33 C ATOM 1467 OG SER A 95 0.604 -9.679 -9.530 1.00 64.14 O ATOM 0 H SER A 95 -0.629 -11.824 -6.838 1.00 61.44 H new ATOM 0 HA SER A 95 1.160 -9.544 -6.837 1.00 31.22 H new ATOM 0 HB2 SER A 95 -1.262 -9.596 -8.692 1.00 21.33 H new ATOM 0 HB3 SER A 95 -0.241 -8.206 -8.387 1.00 21.33 H new ATOM 0 HG SER A 95 1.375 -10.169 -9.176 1.00 64.14 H new ATOM 1473 N PHE A 96 -0.612 -8.199 -5.559 1.00 53.14 N ATOM 1474 CA PHE A 96 -1.384 -7.570 -4.503 1.00 12.32 C ATOM 1475 C PHE A 96 -1.889 -6.212 -4.976 1.00 73.44 C ATOM 1476 O PHE A 96 -1.456 -5.682 -6.003 1.00 55.22 O ATOM 1477 CB PHE A 96 -0.509 -7.410 -3.245 1.00 41.31 C ATOM 1478 CG PHE A 96 -0.942 -8.281 -2.099 1.00 75.21 C ATOM 1479 CD1 PHE A 96 -0.566 -9.634 -2.082 1.00 13.33 C ATOM 1480 CD2 PHE A 96 -1.713 -7.739 -1.051 1.00 32.51 C ATOM 1481 CE1 PHE A 96 -1.009 -10.445 -1.018 1.00 61.12 C ATOM 1482 CE2 PHE A 96 -2.123 -8.554 0.016 1.00 74.12 C ATOM 1483 CZ PHE A 96 -1.781 -9.913 0.026 1.00 41.20 C ATOM 0 H PHE A 96 0.144 -7.605 -5.899 1.00 53.14 H new ATOM 0 HA PHE A 96 -2.241 -8.196 -4.256 1.00 12.32 H new ATOM 0 HB2 PHE A 96 0.525 -7.644 -3.499 1.00 41.31 H new ATOM 0 HB3 PHE A 96 -0.531 -6.368 -2.927 1.00 41.31 H new ATOM 0 HD1 PHE A 96 0.050 -10.045 -2.868 1.00 13.33 H new ATOM 0 HD2 PHE A 96 -1.989 -6.695 -1.069 1.00 32.51 H new ATOM 0 HE1 PHE A 96 -0.750 -11.493 -1.006 1.00 61.12 H new ATOM 0 HE2 PHE A 96 -2.700 -8.135 0.827 1.00 74.12 H new ATOM 0 HZ PHE A 96 -2.111 -10.549 0.835 1.00 41.20 H new ATOM 1493 N THR A 97 -2.792 -5.598 -4.226 1.00 21.53 N ATOM 1494 CA THR A 97 -3.135 -4.190 -4.380 1.00 62.20 C ATOM 1495 C THR A 97 -3.587 -3.701 -3.012 1.00 10.13 C ATOM 1496 O THR A 97 -4.236 -4.468 -2.294 1.00 51.14 O ATOM 1497 CB THR A 97 -4.243 -4.032 -5.435 1.00 42.30 C ATOM 1498 OG1 THR A 97 -3.952 -4.820 -6.577 1.00 3.05 O ATOM 1499 CG2 THR A 97 -4.391 -2.591 -5.902 1.00 63.11 C ATOM 0 H THR A 97 -3.313 -6.067 -3.485 1.00 21.53 H new ATOM 0 HA THR A 97 -2.286 -3.601 -4.726 1.00 62.20 H new ATOM 0 HB THR A 97 -5.169 -4.354 -4.958 1.00 42.30 H new ATOM 0 HG1 THR A 97 -4.450 -4.476 -7.347 1.00 3.05 H new ATOM 0 HG21 THR A 97 -5.185 -2.529 -6.646 1.00 63.11 H new ATOM 0 HG22 THR A 97 -4.641 -1.957 -5.051 1.00 63.11 H new ATOM 0 HG23 THR A 97 -3.453 -2.253 -6.343 1.00 63.11 H new ATOM 1507 N VAL A 98 -3.248 -2.463 -2.657 1.00 5.05 N ATOM 1508 CA VAL A 98 -3.649 -1.831 -1.408 1.00 42.43 C ATOM 1509 C VAL A 98 -4.007 -0.382 -1.718 1.00 64.40 C ATOM 1510 O VAL A 98 -3.152 0.335 -2.242 1.00 1.42 O ATOM 1511 CB VAL A 98 -2.523 -1.944 -0.350 1.00 30.25 C ATOM 1512 CG1 VAL A 98 -2.438 -3.379 0.183 1.00 45.22 C ATOM 1513 CG2 VAL A 98 -1.123 -1.530 -0.821 1.00 45.01 C ATOM 0 H VAL A 98 -2.673 -1.860 -3.246 1.00 5.05 H new ATOM 0 HA VAL A 98 -4.517 -2.333 -0.980 1.00 42.43 H new ATOM 0 HB VAL A 98 -2.813 -1.231 0.422 1.00 30.25 H new ATOM 0 HG11 VAL A 98 -1.643 -3.445 0.926 1.00 45.22 H new ATOM 0 HG12 VAL A 98 -3.388 -3.653 0.643 1.00 45.22 H new ATOM 0 HG13 VAL A 98 -2.223 -4.061 -0.640 1.00 45.22 H new ATOM 0 HG21 VAL A 98 -0.414 -1.649 -0.002 1.00 45.01 H new ATOM 0 HG22 VAL A 98 -0.820 -2.159 -1.658 1.00 45.01 H new ATOM 0 HG23 VAL A 98 -1.139 -0.487 -1.139 1.00 45.01 H new ATOM 1523 N CYS A 99 -5.239 0.050 -1.433 1.00 71.22 N ATOM 1524 CA CYS A 99 -5.579 1.466 -1.445 1.00 41.04 C ATOM 1525 C CYS A 99 -5.739 1.988 -0.033 1.00 10.11 C ATOM 1526 O CYS A 99 -6.157 1.257 0.874 1.00 62.41 O ATOM 1527 CB CYS A 99 -6.844 1.737 -2.265 1.00 25.15 C ATOM 1528 SG CYS A 99 -8.333 1.129 -1.424 1.00 1.31 S ATOM 0 H CYS A 99 -6.015 -0.566 -1.191 1.00 71.22 H new ATOM 0 HA CYS A 99 -4.756 1.997 -1.923 1.00 41.04 H new ATOM 0 HB2 CYS A 99 -6.939 2.808 -2.444 1.00 25.15 H new ATOM 0 HB3 CYS A 99 -6.755 1.257 -3.240 1.00 25.15 H new ATOM 0 HG CYS A 99 -8.095 1.011 -0.151 1.00 1.31 H new ATOM 1534 N VAL A 100 -5.541 3.287 0.135 1.00 22.41 N ATOM 1535 CA VAL A 100 -5.835 3.978 1.374 1.00 51.04 C ATOM 1536 C VAL A 100 -6.640 5.237 1.022 1.00 32.12 C ATOM 1537 O VAL A 100 -6.088 6.121 0.371 1.00 71.43 O ATOM 1538 CB VAL A 100 -4.562 4.226 2.191 1.00 72.13 C ATOM 1539 CG1 VAL A 100 -4.005 2.906 2.749 1.00 45.32 C ATOM 1540 CG2 VAL A 100 -3.416 4.935 1.450 1.00 34.21 C ATOM 0 H VAL A 100 -5.168 3.894 -0.595 1.00 22.41 H new ATOM 0 HA VAL A 100 -6.448 3.370 2.039 1.00 51.04 H new ATOM 0 HB VAL A 100 -4.896 4.901 2.978 1.00 72.13 H new ATOM 0 HG11 VAL A 100 -3.102 3.107 3.325 1.00 45.32 H new ATOM 0 HG12 VAL A 100 -4.750 2.440 3.394 1.00 45.32 H new ATOM 0 HG13 VAL A 100 -3.767 2.234 1.924 1.00 45.32 H new ATOM 0 HG21 VAL A 100 -2.568 5.058 2.124 1.00 34.21 H new ATOM 0 HG22 VAL A 100 -3.113 4.337 0.591 1.00 34.21 H new ATOM 0 HG23 VAL A 100 -3.753 5.914 1.110 1.00 34.21 H new ATOM 1550 N GLU A 101 -7.941 5.302 1.338 1.00 14.34 N ATOM 1551 CA GLU A 101 -8.698 6.550 1.166 1.00 63.40 C ATOM 1552 C GLU A 101 -8.493 7.490 2.349 1.00 24.33 C ATOM 1553 O GLU A 101 -8.209 7.045 3.466 1.00 61.14 O ATOM 1554 CB GLU A 101 -10.196 6.336 0.891 1.00 71.31 C ATOM 1555 CG GLU A 101 -10.985 5.617 1.978 1.00 3.14 C ATOM 1556 CD GLU A 101 -12.370 5.249 1.447 1.00 43.21 C ATOM 1557 OE1 GLU A 101 -12.513 4.185 0.804 1.00 31.21 O ATOM 1558 OE2 GLU A 101 -13.315 6.056 1.601 1.00 23.14 O ATOM 0 H GLU A 101 -8.483 4.521 1.707 1.00 14.34 H new ATOM 0 HA GLU A 101 -8.291 7.017 0.269 1.00 63.40 H new ATOM 0 HB2 GLU A 101 -10.655 7.310 0.722 1.00 71.31 H new ATOM 0 HB3 GLU A 101 -10.297 5.771 -0.036 1.00 71.31 H new ATOM 0 HG2 GLU A 101 -10.454 4.718 2.293 1.00 3.14 H new ATOM 0 HG3 GLU A 101 -11.079 6.256 2.856 1.00 3.14 H new ATOM 1565 N ALA A 102 -8.698 8.783 2.087 1.00 25.41 N ATOM 1566 CA ALA A 102 -8.442 9.914 2.958 1.00 43.41 C ATOM 1567 C ALA A 102 -9.530 10.997 2.803 1.00 61.32 C ATOM 1568 O ALA A 102 -9.239 12.194 2.791 1.00 41.41 O ATOM 1569 CB ALA A 102 -7.031 10.447 2.679 1.00 53.44 C ATOM 0 H ALA A 102 -9.077 9.081 1.188 1.00 25.41 H new ATOM 0 HA ALA A 102 -8.487 9.596 4.000 1.00 43.41 H new ATOM 0 HB1 ALA A 102 -6.828 11.298 3.329 1.00 53.44 H new ATOM 0 HB2 ALA A 102 -6.301 9.661 2.872 1.00 53.44 H new ATOM 0 HB3 ALA A 102 -6.960 10.761 1.638 1.00 53.44 H new ATOM 1575 N GLY A 103 -10.794 10.587 2.660 1.00 72.32 N ATOM 1576 CA GLY A 103 -11.943 11.481 2.628 1.00 2.13 C ATOM 1577 C GLY A 103 -12.337 11.731 1.184 1.00 23.03 C ATOM 1578 O GLY A 103 -13.140 10.981 0.624 1.00 52.11 O ATOM 0 H GLY A 103 -11.046 9.604 2.562 1.00 72.32 H new ATOM 0 HA2 GLY A 103 -12.777 11.041 3.175 1.00 2.13 H new ATOM 0 HA3 GLY A 103 -11.701 12.423 3.120 1.00 2.13 H new ATOM 1582 N ASN A 104 -11.753 12.750 0.549 1.00 71.03 N ATOM 1583 CA ASN A 104 -11.882 13.057 -0.860 1.00 31.01 C ATOM 1584 C ASN A 104 -10.585 12.729 -1.591 1.00 61.23 C ATOM 1585 O ASN A 104 -10.134 13.515 -2.412 1.00 1.14 O ATOM 1586 CB ASN A 104 -12.385 14.493 -1.055 1.00 73.43 C ATOM 1587 CG ASN A 104 -11.605 15.564 -0.322 1.00 53.21 C ATOM 1588 OD1 ASN A 104 -10.299 15.458 -0.398 1.00 44.14 O flip ATOM 1589 ND2 ASN A 104 -12.159 16.467 0.299 1.00 64.13 N flip ATOM 0 H ASN A 104 -11.149 13.411 1.037 1.00 71.03 H new ATOM 0 HA ASN A 104 -12.643 12.424 -1.316 1.00 31.01 H new ATOM 0 HB2 ASN A 104 -12.370 14.723 -2.120 1.00 73.43 H new ATOM 0 HB3 ASN A 104 -13.425 14.542 -0.733 1.00 73.43 H new ATOM 0 HD21 ASN A 104 -13.177 16.513 0.333 1.00 64.13 H new ATOM 0 HD22 ASN A 104 -11.601 17.172 0.781 1.00 64.13 H new ATOM 1596 N ALA A 105 -9.915 11.635 -1.257 1.00 64.43 N ATOM 1597 CA ALA A 105 -8.804 11.127 -2.041 1.00 3.41 C ATOM 1598 C ALA A 105 -8.608 9.662 -1.709 1.00 2.34 C ATOM 1599 O ALA A 105 -8.967 9.224 -0.616 1.00 41.11 O ATOM 1600 CB ALA A 105 -7.524 11.916 -1.737 1.00 5.35 C ATOM 0 H ALA A 105 -10.129 11.075 -0.432 1.00 64.43 H new ATOM 0 HA ALA A 105 -9.024 11.241 -3.102 1.00 3.41 H new ATOM 0 HB1 ALA A 105 -6.702 11.521 -2.334 1.00 5.35 H new ATOM 0 HB2 ALA A 105 -7.678 12.967 -1.982 1.00 5.35 H new ATOM 0 HB3 ALA A 105 -7.281 11.822 -0.679 1.00 5.35 H new ATOM 1606 N PHE A 106 -7.969 8.939 -2.618 1.00 72.23 N ATOM 1607 CA PHE A 106 -7.423 7.621 -2.384 1.00 3.43 C ATOM 1608 C PHE A 106 -6.183 7.488 -3.254 1.00 24.41 C ATOM 1609 O PHE A 106 -6.061 8.159 -4.285 1.00 71.30 O ATOM 1610 CB PHE A 106 -8.469 6.538 -2.669 1.00 25.31 C ATOM 1611 CG PHE A 106 -9.126 6.623 -4.031 1.00 52.22 C ATOM 1612 CD1 PHE A 106 -10.292 7.397 -4.201 1.00 73.01 C ATOM 1613 CD2 PHE A 106 -8.582 5.924 -5.125 1.00 23.55 C ATOM 1614 CE1 PHE A 106 -10.949 7.409 -5.444 1.00 14.25 C ATOM 1615 CE2 PHE A 106 -9.225 5.960 -6.373 1.00 13.22 C ATOM 1616 CZ PHE A 106 -10.423 6.677 -6.522 1.00 54.31 C ATOM 0 H PHE A 106 -7.814 9.271 -3.570 1.00 72.23 H new ATOM 0 HA PHE A 106 -7.145 7.488 -1.339 1.00 3.43 H new ATOM 0 HB2 PHE A 106 -7.994 5.562 -2.572 1.00 25.31 H new ATOM 0 HB3 PHE A 106 -9.244 6.593 -1.905 1.00 25.31 H new ATOM 0 HD1 PHE A 106 -10.680 7.979 -3.378 1.00 73.01 H new ATOM 0 HD2 PHE A 106 -7.669 5.359 -5.005 1.00 23.55 H new ATOM 0 HE1 PHE A 106 -11.857 7.980 -5.570 1.00 14.25 H new ATOM 0 HE2 PHE A 106 -8.799 5.437 -7.216 1.00 13.22 H new ATOM 0 HZ PHE A 106 -10.942 6.666 -7.469 1.00 54.31 H new ATOM 1626 N ASP A 107 -5.269 6.618 -2.842 1.00 64.31 N ATOM 1627 CA ASP A 107 -4.059 6.275 -3.571 1.00 65.34 C ATOM 1628 C ASP A 107 -3.924 4.769 -3.438 1.00 63.43 C ATOM 1629 O ASP A 107 -4.132 4.234 -2.344 1.00 64.23 O ATOM 1630 CB ASP A 107 -2.839 7.016 -2.993 1.00 14.22 C ATOM 1631 CG ASP A 107 -1.899 7.531 -4.085 1.00 73.14 C ATOM 1632 OD1 ASP A 107 -2.381 8.225 -5.007 1.00 1.24 O ATOM 1633 OD2 ASP A 107 -0.662 7.349 -3.982 1.00 61.51 O ATOM 0 H ASP A 107 -5.355 6.115 -1.959 1.00 64.31 H new ATOM 0 HA ASP A 107 -4.112 6.574 -4.618 1.00 65.34 H new ATOM 0 HB2 ASP A 107 -3.180 7.855 -2.386 1.00 14.22 H new ATOM 0 HB3 ASP A 107 -2.290 6.346 -2.331 1.00 14.22 H new ATOM 1638 N GLU A 108 -3.651 4.081 -4.544 1.00 62.10 N ATOM 1639 CA GLU A 108 -3.699 2.631 -4.643 1.00 21.33 C ATOM 1640 C GLU A 108 -2.396 2.117 -5.246 1.00 74.30 C ATOM 1641 O GLU A 108 -2.076 2.434 -6.397 1.00 44.24 O ATOM 1642 CB GLU A 108 -4.951 2.200 -5.419 1.00 73.52 C ATOM 1643 CG GLU A 108 -5.072 0.672 -5.434 1.00 4.31 C ATOM 1644 CD GLU A 108 -6.464 0.201 -5.859 1.00 63.33 C ATOM 1645 OE1 GLU A 108 -6.835 0.426 -7.033 1.00 31.24 O ATOM 1646 OE2 GLU A 108 -7.171 -0.404 -5.023 1.00 74.10 O ATOM 0 H GLU A 108 -3.383 4.533 -5.418 1.00 62.10 H new ATOM 0 HA GLU A 108 -3.784 2.181 -3.654 1.00 21.33 H new ATOM 0 HB2 GLU A 108 -5.838 2.637 -4.961 1.00 73.52 H new ATOM 0 HB3 GLU A 108 -4.901 2.577 -6.440 1.00 73.52 H new ATOM 0 HG2 GLU A 108 -4.328 0.258 -6.115 1.00 4.31 H new ATOM 0 HG3 GLU A 108 -4.847 0.283 -4.441 1.00 4.31 H new ATOM 1653 N PHE A 109 -1.633 1.365 -4.451 1.00 61.13 N ATOM 1654 CA PHE A 109 -0.324 0.853 -4.818 1.00 45.42 C ATOM 1655 C PHE A 109 -0.491 -0.536 -5.430 1.00 50.24 C ATOM 1656 O PHE A 109 -1.182 -1.387 -4.856 1.00 42.33 O ATOM 1657 CB PHE A 109 0.567 0.797 -3.573 1.00 11.14 C ATOM 1658 CG PHE A 109 0.810 2.129 -2.890 1.00 41.44 C ATOM 1659 CD1 PHE A 109 1.898 2.932 -3.285 1.00 21.15 C ATOM 1660 CD2 PHE A 109 -0.032 2.557 -1.843 1.00 45.03 C ATOM 1661 CE1 PHE A 109 2.146 4.149 -2.626 1.00 64.30 C ATOM 1662 CE2 PHE A 109 0.220 3.775 -1.187 1.00 34.52 C ATOM 1663 CZ PHE A 109 1.310 4.570 -1.578 1.00 30.12 C ATOM 0 H PHE A 109 -1.921 1.092 -3.512 1.00 61.13 H new ATOM 0 HA PHE A 109 0.149 1.507 -5.550 1.00 45.42 H new ATOM 0 HB2 PHE A 109 0.115 0.115 -2.853 1.00 11.14 H new ATOM 0 HB3 PHE A 109 1.530 0.370 -3.854 1.00 11.14 H new ATOM 0 HD1 PHE A 109 2.540 2.613 -4.093 1.00 21.15 H new ATOM 0 HD2 PHE A 109 -0.872 1.948 -1.544 1.00 45.03 H new ATOM 0 HE1 PHE A 109 2.982 4.763 -2.926 1.00 64.30 H new ATOM 0 HE2 PHE A 109 -0.424 4.099 -0.383 1.00 34.52 H new ATOM 0 HZ PHE A 109 1.505 5.505 -1.073 1.00 30.12 H new ATOM 1673 N LYS A 110 0.150 -0.777 -6.578 1.00 30.42 N ATOM 1674 CA LYS A 110 -0.012 -1.999 -7.356 1.00 54.31 C ATOM 1675 C LYS A 110 1.191 -2.926 -7.205 1.00 24.23 C ATOM 1676 O LYS A 110 2.210 -2.770 -7.879 1.00 73.12 O ATOM 1677 CB LYS A 110 -0.361 -1.625 -8.807 1.00 32.55 C ATOM 1678 CG LYS A 110 -0.984 -2.770 -9.619 1.00 42.43 C ATOM 1679 CD LYS A 110 -0.071 -3.990 -9.818 1.00 63.10 C ATOM 1680 CE LYS A 110 -0.398 -4.723 -11.117 1.00 53.22 C ATOM 1681 NZ LYS A 110 0.802 -5.343 -11.708 1.00 53.13 N ATOM 0 H LYS A 110 0.805 -0.116 -6.995 1.00 30.42 H new ATOM 0 HA LYS A 110 -0.846 -2.587 -6.971 1.00 54.31 H new ATOM 0 HB2 LYS A 110 -1.053 -0.783 -8.797 1.00 32.55 H new ATOM 0 HB3 LYS A 110 0.544 -1.287 -9.311 1.00 32.55 H new ATOM 0 HG2 LYS A 110 -1.897 -3.095 -9.121 1.00 42.43 H new ATOM 0 HG3 LYS A 110 -1.274 -2.387 -10.598 1.00 42.43 H new ATOM 0 HD2 LYS A 110 0.971 -3.669 -9.832 1.00 63.10 H new ATOM 0 HD3 LYS A 110 -0.183 -4.672 -8.975 1.00 63.10 H new ATOM 0 HE2 LYS A 110 -1.147 -5.491 -10.923 1.00 53.22 H new ATOM 0 HE3 LYS A 110 -0.835 -4.024 -11.830 1.00 53.22 H new ATOM 0 HZ1 LYS A 110 0.549 -5.803 -12.606 1.00 53.13 H new ATOM 0 HZ2 LYS A 110 1.520 -4.611 -11.884 1.00 53.13 H new ATOM 0 HZ3 LYS A 110 1.185 -6.053 -11.052 1.00 53.13 H new ATOM 1695 N PHE A 111 1.066 -3.914 -6.326 1.00 43.32 N ATOM 1696 CA PHE A 111 2.146 -4.827 -5.999 1.00 23.52 C ATOM 1697 C PHE A 111 2.102 -6.043 -6.916 1.00 43.43 C ATOM 1698 O PHE A 111 1.029 -6.487 -7.317 1.00 62.23 O ATOM 1699 CB PHE A 111 1.990 -5.234 -4.535 1.00 13.34 C ATOM 1700 CG PHE A 111 2.479 -4.172 -3.580 1.00 65.13 C ATOM 1701 CD1 PHE A 111 3.856 -4.067 -3.326 1.00 14.12 C ATOM 1702 CD2 PHE A 111 1.591 -3.244 -3.006 1.00 13.02 C ATOM 1703 CE1 PHE A 111 4.342 -3.058 -2.482 1.00 61.43 C ATOM 1704 CE2 PHE A 111 2.089 -2.212 -2.189 1.00 53.23 C ATOM 1705 CZ PHE A 111 3.462 -2.121 -1.919 1.00 10.23 C ATOM 0 H PHE A 111 0.202 -4.102 -5.817 1.00 43.32 H new ATOM 0 HA PHE A 111 3.113 -4.346 -6.144 1.00 23.52 H new ATOM 0 HB2 PHE A 111 0.940 -5.445 -4.331 1.00 13.34 H new ATOM 0 HB3 PHE A 111 2.541 -6.158 -4.358 1.00 13.34 H new ATOM 0 HD1 PHE A 111 4.543 -4.765 -3.782 1.00 14.12 H new ATOM 0 HD2 PHE A 111 0.530 -3.323 -3.192 1.00 13.02 H new ATOM 0 HE1 PHE A 111 5.398 -3.002 -2.264 1.00 61.43 H new ATOM 0 HE2 PHE A 111 1.410 -1.486 -1.767 1.00 53.23 H new ATOM 0 HZ PHE A 111 3.840 -1.335 -1.282 1.00 10.23 H new ATOM 1715 N VAL A 112 3.256 -6.621 -7.225 1.00 54.03 N ATOM 1716 CA VAL A 112 3.385 -7.781 -8.093 1.00 34.53 C ATOM 1717 C VAL A 112 4.635 -8.534 -7.616 1.00 63.54 C ATOM 1718 O VAL A 112 5.707 -7.930 -7.545 1.00 61.10 O ATOM 1719 CB VAL A 112 3.421 -7.300 -9.563 1.00 2.34 C ATOM 1720 CG1 VAL A 112 4.348 -6.105 -9.853 1.00 63.54 C ATOM 1721 CG2 VAL A 112 3.754 -8.438 -10.522 1.00 61.33 C ATOM 0 H VAL A 112 4.151 -6.286 -6.868 1.00 54.03 H new ATOM 0 HA VAL A 112 2.545 -8.474 -8.045 1.00 34.53 H new ATOM 0 HB VAL A 112 2.406 -6.942 -9.732 1.00 2.34 H new ATOM 0 HG11 VAL A 112 4.295 -5.852 -10.912 1.00 63.54 H new ATOM 0 HG12 VAL A 112 4.032 -5.247 -9.259 1.00 63.54 H new ATOM 0 HG13 VAL A 112 5.373 -6.368 -9.593 1.00 63.54 H new ATOM 0 HG21 VAL A 112 3.770 -8.060 -11.544 1.00 61.33 H new ATOM 0 HG22 VAL A 112 4.732 -8.850 -10.272 1.00 61.33 H new ATOM 0 HG23 VAL A 112 2.999 -9.219 -10.436 1.00 61.33 H new ATOM 1731 N GLN A 113 4.500 -9.808 -7.224 1.00 43.23 N ATOM 1732 CA GLN A 113 5.589 -10.664 -6.758 1.00 42.40 C ATOM 1733 C GLN A 113 5.905 -11.744 -7.792 1.00 23.42 C ATOM 1734 O GLN A 113 5.011 -12.447 -8.258 1.00 13.24 O ATOM 1735 CB GLN A 113 5.220 -11.287 -5.403 1.00 60.14 C ATOM 1736 CG GLN A 113 6.270 -12.315 -4.944 1.00 73.14 C ATOM 1737 CD GLN A 113 6.211 -12.623 -3.455 1.00 40.33 C ATOM 1738 OE1 GLN A 113 5.307 -13.306 -3.002 1.00 32.25 O ATOM 1739 NE2 GLN A 113 7.179 -12.163 -2.681 1.00 55.30 N ATOM 0 H GLN A 113 3.597 -10.283 -7.224 1.00 43.23 H new ATOM 0 HA GLN A 113 6.485 -10.058 -6.627 1.00 42.40 H new ATOM 0 HB2 GLN A 113 5.129 -10.501 -4.654 1.00 60.14 H new ATOM 0 HB3 GLN A 113 4.246 -11.770 -5.478 1.00 60.14 H new ATOM 0 HG2 GLN A 113 6.130 -13.240 -5.504 1.00 73.14 H new ATOM 0 HG3 GLN A 113 7.264 -11.941 -5.190 1.00 73.14 H new ATOM 0 HE21 GLN A 113 7.925 -11.594 -3.081 1.00 55.30 H new ATOM 0 HE22 GLN A 113 7.180 -12.377 -1.684 1.00 55.30 H new ATOM 1748 N ASP A 114 7.188 -11.898 -8.119 1.00 20.35 N ATOM 1749 CA ASP A 114 7.684 -12.954 -9.012 1.00 40.12 C ATOM 1750 C ASP A 114 7.515 -14.371 -8.442 1.00 12.01 C ATOM 1751 O ASP A 114 7.286 -14.568 -7.246 1.00 12.24 O ATOM 1752 CB ASP A 114 9.155 -12.697 -9.381 1.00 24.32 C ATOM 1753 CG ASP A 114 9.278 -12.308 -10.850 1.00 64.41 C ATOM 1754 OD1 ASP A 114 8.930 -13.129 -11.727 1.00 4.12 O ATOM 1755 OD2 ASP A 114 9.706 -11.168 -11.135 1.00 55.33 O ATOM 0 H ASP A 114 7.925 -11.286 -7.768 1.00 20.35 H new ATOM 0 HA ASP A 114 7.066 -12.910 -9.909 1.00 40.12 H new ATOM 0 HB2 ASP A 114 9.560 -11.903 -8.754 1.00 24.32 H new ATOM 0 HB3 ASP A 114 9.747 -13.591 -9.185 1.00 24.32 H new ATOM 1760 N ALA A 115 7.633 -15.369 -9.319 1.00 44.12 N ATOM 1761 CA ALA A 115 7.723 -16.787 -8.984 1.00 73.33 C ATOM 1762 C ALA A 115 9.090 -17.079 -8.382 1.00 0.42 C ATOM 1763 O ALA A 115 10.089 -16.476 -8.786 1.00 24.23 O ATOM 1764 CB ALA A 115 7.577 -17.583 -10.277 1.00 61.23 C ATOM 0 H ALA A 115 7.670 -15.202 -10.325 1.00 44.12 H new ATOM 0 HA ALA A 115 6.946 -17.057 -8.269 1.00 73.33 H new ATOM 0 HB1 ALA A 115 7.640 -18.649 -10.057 1.00 61.23 H new ATOM 0 HB2 ALA A 115 6.611 -17.363 -10.733 1.00 61.23 H new ATOM 0 HB3 ALA A 115 8.375 -17.307 -10.966 1.00 61.23 H new ATOM 1770 N ALA A 116 9.152 -18.029 -7.450 1.00 73.14 N ATOM 1771 CA ALA A 116 10.408 -18.500 -6.901 1.00 52.13 C ATOM 1772 C ALA A 116 10.858 -19.693 -7.727 1.00 35.21 C ATOM 1773 O ALA A 116 10.170 -20.712 -7.789 1.00 15.02 O ATOM 1774 CB ALA A 116 10.232 -18.875 -5.436 1.00 44.31 C ATOM 0 H ALA A 116 8.330 -18.489 -7.059 1.00 73.14 H new ATOM 0 HA ALA A 116 11.167 -17.719 -6.945 1.00 52.13 H new ATOM 0 HB1 ALA A 116 11.182 -19.227 -5.034 1.00 44.31 H new ATOM 0 HB2 ALA A 116 9.902 -18.001 -4.874 1.00 44.31 H new ATOM 0 HB3 ALA A 116 9.486 -19.665 -5.350 1.00 44.31 H new ATOM 1780 N LYS A 117 12.037 -19.587 -8.329 1.00 4.43 N ATOM 1781 CA LYS A 117 12.640 -20.651 -9.112 1.00 31.15 C ATOM 1782 C LYS A 117 13.433 -21.508 -8.128 1.00 61.41 C ATOM 1783 O LYS A 117 14.620 -21.249 -7.932 1.00 2.04 O ATOM 1784 CB LYS A 117 13.459 -20.019 -10.253 1.00 64.30 C ATOM 1785 CG LYS A 117 13.810 -21.018 -11.364 1.00 0.41 C ATOM 1786 CD LYS A 117 15.291 -21.395 -11.365 1.00 0.32 C ATOM 1787 CE LYS A 117 16.144 -20.243 -11.911 1.00 1.04 C ATOM 1788 NZ LYS A 117 17.588 -20.485 -11.719 1.00 20.51 N ATOM 0 H LYS A 117 12.608 -18.743 -8.284 1.00 4.43 H new ATOM 0 HA LYS A 117 11.925 -21.305 -9.610 1.00 31.15 H new ATOM 0 HB2 LYS A 117 12.895 -19.191 -10.682 1.00 64.30 H new ATOM 0 HB3 LYS A 117 14.379 -19.601 -9.844 1.00 64.30 H new ATOM 0 HG2 LYS A 117 13.209 -21.919 -11.241 1.00 0.41 H new ATOM 0 HG3 LYS A 117 13.547 -20.589 -12.331 1.00 0.41 H new ATOM 0 HD2 LYS A 117 15.609 -21.641 -10.352 1.00 0.32 H new ATOM 0 HD3 LYS A 117 15.444 -22.287 -11.973 1.00 0.32 H new ATOM 0 HE2 LYS A 117 15.937 -20.110 -12.973 1.00 1.04 H new ATOM 0 HE3 LYS A 117 15.862 -19.315 -11.413 1.00 1.04 H new ATOM 0 HZ1 LYS A 117 18.128 -19.683 -12.102 1.00 20.51 H new ATOM 0 HZ2 LYS A 117 17.791 -20.587 -10.704 1.00 20.51 H new ATOM 0 HZ3 LYS A 117 17.863 -21.356 -12.216 1.00 20.51 H new ATOM 1802 N GLN A 118 12.730 -22.354 -7.376 1.00 11.35 N ATOM 1803 CA GLN A 118 13.280 -23.210 -6.326 1.00 21.43 C ATOM 1804 C GLN A 118 13.758 -24.505 -6.983 1.00 23.45 C ATOM 1805 O GLN A 118 13.480 -25.586 -6.410 1.00 74.44 O ATOM 1806 CB GLN A 118 12.210 -23.464 -5.233 1.00 42.04 C ATOM 1807 CG GLN A 118 11.773 -22.214 -4.455 1.00 15.25 C ATOM 1808 CD GLN A 118 10.503 -22.470 -3.641 1.00 13.14 C ATOM 1809 OE1 GLN A 118 9.405 -22.477 -4.178 1.00 52.30 O ATOM 1810 NE2 GLN A 118 10.581 -22.691 -2.337 1.00 24.14 N ATOM 0 H GLN A 118 11.722 -22.466 -7.486 1.00 11.35 H new ATOM 0 HA GLN A 118 14.125 -22.733 -5.829 1.00 21.43 H new ATOM 0 HB2 GLN A 118 11.332 -23.909 -5.701 1.00 42.04 H new ATOM 0 HB3 GLN A 118 12.600 -24.196 -4.526 1.00 42.04 H new ATOM 0 HG2 GLN A 118 12.576 -21.901 -3.788 1.00 15.25 H new ATOM 0 HG3 GLN A 118 11.600 -21.394 -5.152 1.00 15.25 H new ATOM 0 HE21 GLN A 118 11.489 -22.689 -1.873 1.00 24.14 H new ATOM 0 HE22 GLN A 118 9.733 -22.863 -1.797 1.00 24.14 H new