USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 ASN : amide:sc= 1.35 K(o=1.4,f=-3.8!) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 53 LYS NZ :NH3+ -150:sc= 0.0475 (180deg=3.73e-05) USER MOD Set 2.2: A 97 THR OG1 : rot -26:sc= -0.4 USER MOD Set 3.1: A 14 MET CE :methyl 137:sc= -0.373 (180deg=-0.542) USER MOD Set 3.2: A 41 CYS SG : rot 78:sc= 2.07 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -120:sc= -0.105 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+ 159:sc= -0.116 (180deg=-0.846) USER MOD Single : A 25 ASN : amide:sc=-0.00418 X(o=-0.0042,f=-0.0042) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.39 K(o=-1.4,f=-5.1!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.335 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0775 USER MOD Single : A 51 SER OG : rot 148:sc= -0.0435 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= 0.663 (180deg=0.245) USER MOD Single : A 61 ASN : amide:sc= 1.22 K(o=1.2,f=-1.6) USER MOD Single : A 62 THR OG1 : rot -29:sc= 0.125 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0152 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 33:sc= 0.234 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 1.2 K(o=1.2,f=-0.087) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.0869 X(o=-0.087,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= -0.184 USER MOD Single : A 99 CYS SG : rot 10:sc= -0.256 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0977) USER MOD Single : A 113 GLN : amide:sc= 1.42 K(o=1.4,f=0.37) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.0178 X(o=-0.018,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N MET A 14 -3.218 12.910 0.267 1.00 32.24 N ATOM 165 CA MET A 14 -2.116 12.523 1.137 1.00 14.45 C ATOM 166 C MET A 14 -0.799 12.670 0.397 1.00 62.10 C ATOM 167 O MET A 14 -0.731 12.530 -0.823 1.00 4.25 O ATOM 168 CB MET A 14 -2.295 11.118 1.722 1.00 74.40 C ATOM 169 CG MET A 14 -3.115 10.154 0.870 1.00 24.11 C ATOM 170 SD MET A 14 -3.002 8.443 1.438 1.00 73.50 S ATOM 171 CE MET A 14 -3.608 8.544 3.136 1.00 62.40 C ATOM 0 HA MET A 14 -2.109 13.198 1.993 1.00 14.45 H new ATOM 0 HB2 MET A 14 -1.309 10.683 1.886 1.00 74.40 H new ATOM 0 HB3 MET A 14 -2.770 11.207 2.699 1.00 74.40 H new ATOM 0 HG2 MET A 14 -4.159 10.467 0.880 1.00 24.11 H new ATOM 0 HG3 MET A 14 -2.775 10.211 -0.164 1.00 24.11 H new ATOM 0 HE1 MET A 14 -4.277 7.707 3.334 1.00 62.40 H new ATOM 0 HE2 MET A 14 -2.765 8.506 3.826 1.00 62.40 H new ATOM 0 HE3 MET A 14 -4.148 9.481 3.274 1.00 62.40 H new ATOM 181 N LYS A 15 0.258 12.977 1.149 1.00 51.13 N ATOM 182 CA LYS A 15 1.607 13.126 0.628 1.00 13.14 C ATOM 183 C LYS A 15 2.551 12.406 1.584 1.00 50.44 C ATOM 184 O LYS A 15 2.251 12.273 2.778 1.00 71.11 O ATOM 185 CB LYS A 15 1.969 14.613 0.444 1.00 44.33 C ATOM 186 CG LYS A 15 1.136 15.365 -0.600 1.00 25.34 C ATOM 187 CD LYS A 15 1.486 16.857 -0.613 1.00 64.12 C ATOM 188 CE LYS A 15 1.092 17.563 0.691 1.00 25.32 C ATOM 189 NZ LYS A 15 0.800 18.992 0.476 1.00 4.24 N ATOM 0 H LYS A 15 0.194 13.131 2.155 1.00 51.13 H new ATOM 0 HA LYS A 15 1.691 12.680 -0.363 1.00 13.14 H new ATOM 0 HB2 LYS A 15 1.860 15.118 1.404 1.00 44.33 H new ATOM 0 HB3 LYS A 15 3.020 14.682 0.165 1.00 44.33 H new ATOM 0 HG2 LYS A 15 1.313 14.938 -1.587 1.00 25.34 H new ATOM 0 HG3 LYS A 15 0.075 15.239 -0.383 1.00 25.34 H new ATOM 0 HD2 LYS A 15 2.557 16.974 -0.777 1.00 64.12 H new ATOM 0 HD3 LYS A 15 0.981 17.338 -1.450 1.00 64.12 H new ATOM 0 HE2 LYS A 15 0.217 17.074 1.118 1.00 25.32 H new ATOM 0 HE3 LYS A 15 1.899 17.463 1.416 1.00 25.32 H new ATOM 0 HZ1 LYS A 15 0.538 19.433 1.381 1.00 4.24 H new ATOM 0 HZ2 LYS A 15 1.643 19.465 0.092 1.00 4.24 H new ATOM 0 HZ3 LYS A 15 0.013 19.088 -0.197 1.00 4.24 H new ATOM 203 N TRP A 16 3.679 11.929 1.072 1.00 64.10 N ATOM 204 CA TRP A 16 4.477 10.919 1.748 1.00 13.21 C ATOM 205 C TRP A 16 5.940 11.370 1.753 1.00 31.33 C ATOM 206 O TRP A 16 6.612 11.338 0.718 1.00 24.15 O ATOM 207 CB TRP A 16 4.295 9.570 1.043 1.00 25.43 C ATOM 208 CG TRP A 16 2.896 9.038 0.968 1.00 31.15 C ATOM 209 CD1 TRP A 16 2.012 9.296 -0.020 1.00 24.55 C ATOM 210 CD2 TRP A 16 2.219 8.100 1.854 1.00 63.21 C ATOM 211 NE1 TRP A 16 0.830 8.623 0.207 1.00 32.55 N ATOM 212 CE2 TRP A 16 0.919 7.833 1.336 1.00 54.24 C ATOM 213 CE3 TRP A 16 2.583 7.431 3.039 1.00 45.43 C ATOM 214 CZ2 TRP A 16 0.043 6.937 1.966 1.00 71.22 C ATOM 215 CZ3 TRP A 16 1.698 6.560 3.699 1.00 44.00 C ATOM 216 CH2 TRP A 16 0.423 6.315 3.165 1.00 1.11 C ATOM 0 H TRP A 16 4.064 12.232 0.178 1.00 64.10 H new ATOM 0 HA TRP A 16 4.154 10.796 2.782 1.00 13.21 H new ATOM 0 HB2 TRP A 16 4.680 9.661 0.027 1.00 25.43 H new ATOM 0 HB3 TRP A 16 4.914 8.832 1.554 1.00 25.43 H new ATOM 0 HD1 TRP A 16 2.204 9.938 -0.867 1.00 24.55 H new ATOM 0 HE1 TRP A 16 0.000 8.699 -0.381 1.00 32.55 H new ATOM 0 HE3 TRP A 16 3.568 7.591 3.452 1.00 45.43 H new ATOM 0 HZ2 TRP A 16 -0.922 6.726 1.529 1.00 71.22 H new ATOM 0 HZ3 TRP A 16 2.000 6.079 4.618 1.00 44.00 H new ATOM 0 HH2 TRP A 16 -0.261 5.652 3.674 1.00 1.11 H new ATOM 227 N SER A 17 6.456 11.813 2.901 1.00 34.25 N ATOM 228 CA SER A 17 7.827 12.307 3.018 1.00 44.32 C ATOM 229 C SER A 17 8.875 11.204 3.201 1.00 52.23 C ATOM 230 O SER A 17 10.040 11.510 3.453 1.00 23.22 O ATOM 231 CB SER A 17 7.924 13.313 4.151 1.00 1.42 C ATOM 232 OG SER A 17 7.021 14.377 3.922 1.00 34.34 O ATOM 0 H SER A 17 5.933 11.839 3.776 1.00 34.25 H new ATOM 0 HA SER A 17 8.057 12.786 2.066 1.00 44.32 H new ATOM 0 HB2 SER A 17 7.697 12.829 5.101 1.00 1.42 H new ATOM 0 HB3 SER A 17 8.942 13.696 4.224 1.00 1.42 H new ATOM 0 HG SER A 17 7.517 15.220 3.863 1.00 34.34 H new ATOM 238 N LYS A 18 8.494 9.933 3.084 1.00 41.44 N ATOM 239 CA LYS A 18 9.402 8.798 3.016 1.00 65.32 C ATOM 240 C LYS A 18 8.752 7.846 2.024 1.00 4.35 C ATOM 241 O LYS A 18 7.604 7.491 2.286 1.00 42.20 O ATOM 242 CB LYS A 18 9.566 8.177 4.415 1.00 12.24 C ATOM 243 CG LYS A 18 11.011 7.815 4.742 1.00 62.24 C ATOM 244 CD LYS A 18 11.869 9.062 5.020 1.00 14.33 C ATOM 245 CE LYS A 18 12.976 9.146 3.975 1.00 70.14 C ATOM 246 NZ LYS A 18 13.759 10.385 4.069 1.00 23.25 N ATOM 0 H LYS A 18 7.513 9.660 3.033 1.00 41.44 H new ATOM 0 HA LYS A 18 10.409 9.064 2.693 1.00 65.32 H new ATOM 0 HB2 LYS A 18 9.195 8.878 5.163 1.00 12.24 H new ATOM 0 HB3 LYS A 18 8.949 7.281 4.483 1.00 12.24 H new ATOM 0 HG2 LYS A 18 11.032 7.159 5.612 1.00 62.24 H new ATOM 0 HG3 LYS A 18 11.442 7.256 3.911 1.00 62.24 H new ATOM 0 HD2 LYS A 18 11.251 9.959 4.987 1.00 14.33 H new ATOM 0 HD3 LYS A 18 12.299 9.008 6.020 1.00 14.33 H new ATOM 0 HE2 LYS A 18 13.643 8.291 4.090 1.00 70.14 H new ATOM 0 HE3 LYS A 18 12.536 9.075 2.980 1.00 70.14 H new ATOM 0 HZ1 LYS A 18 14.496 10.387 3.335 1.00 23.25 H new ATOM 0 HZ2 LYS A 18 13.132 11.203 3.932 1.00 23.25 H new ATOM 0 HZ3 LYS A 18 14.205 10.444 5.007 1.00 23.25 H new ATOM 260 N VAL A 19 9.402 7.520 0.904 1.00 72.42 N ATOM 261 CA VAL A 19 8.903 6.568 -0.095 1.00 31.45 C ATOM 262 C VAL A 19 10.096 5.875 -0.789 1.00 43.43 C ATOM 263 O VAL A 19 11.166 6.487 -0.919 1.00 63.22 O ATOM 264 CB VAL A 19 7.988 7.249 -1.150 1.00 3.33 C ATOM 265 CG1 VAL A 19 6.667 7.767 -0.569 1.00 51.12 C ATOM 266 CG2 VAL A 19 8.654 8.425 -1.879 1.00 61.21 C ATOM 0 H VAL A 19 10.309 7.918 0.660 1.00 72.42 H new ATOM 0 HA VAL A 19 8.295 5.827 0.424 1.00 31.45 H new ATOM 0 HB VAL A 19 7.793 6.443 -1.857 1.00 3.33 H new ATOM 0 HG11 VAL A 19 6.078 8.230 -1.361 1.00 51.12 H new ATOM 0 HG12 VAL A 19 6.108 6.936 -0.140 1.00 51.12 H new ATOM 0 HG13 VAL A 19 6.875 8.504 0.207 1.00 51.12 H new ATOM 0 HG21 VAL A 19 7.955 8.850 -2.599 1.00 61.21 H new ATOM 0 HG22 VAL A 19 8.937 9.189 -1.155 1.00 61.21 H new ATOM 0 HG23 VAL A 19 9.544 8.073 -2.401 1.00 61.21 H new ATOM 276 N PRO A 20 9.929 4.634 -1.278 1.00 1.25 N ATOM 277 CA PRO A 20 10.938 3.893 -2.027 1.00 60.51 C ATOM 278 C PRO A 20 11.080 4.404 -3.469 1.00 54.14 C ATOM 279 O PRO A 20 10.152 4.976 -4.052 1.00 1.14 O ATOM 280 CB PRO A 20 10.446 2.439 -2.012 1.00 20.44 C ATOM 281 CG PRO A 20 8.931 2.589 -1.944 1.00 4.14 C ATOM 282 CD PRO A 20 8.756 3.812 -1.063 1.00 35.42 C ATOM 0 HA PRO A 20 11.926 4.008 -1.581 1.00 60.51 H new ATOM 0 HB2 PRO A 20 10.758 1.898 -2.906 1.00 20.44 H new ATOM 0 HB3 PRO A 20 10.836 1.890 -1.155 1.00 20.44 H new ATOM 0 HG2 PRO A 20 8.494 2.736 -2.932 1.00 4.14 H new ATOM 0 HG3 PRO A 20 8.456 1.708 -1.513 1.00 4.14 H new ATOM 0 HD2 PRO A 20 7.847 4.354 -1.325 1.00 35.42 H new ATOM 0 HD3 PRO A 20 8.667 3.527 -0.015 1.00 35.42 H new ATOM 290 N SER A 21 12.226 4.111 -4.084 1.00 4.31 N ATOM 291 CA SER A 21 12.510 4.419 -5.483 1.00 41.30 C ATOM 292 C SER A 21 11.928 3.365 -6.431 1.00 70.20 C ATOM 293 O SER A 21 11.740 3.664 -7.608 1.00 42.10 O ATOM 294 CB SER A 21 14.023 4.489 -5.721 1.00 73.14 C ATOM 295 OG SER A 21 14.711 5.201 -4.703 1.00 34.15 O ATOM 0 H SER A 21 12.999 3.642 -3.611 1.00 4.31 H new ATOM 0 HA SER A 21 12.044 5.382 -5.691 1.00 41.30 H new ATOM 0 HB2 SER A 21 14.423 3.477 -5.783 1.00 73.14 H new ATOM 0 HB3 SER A 21 14.213 4.966 -6.682 1.00 73.14 H new ATOM 0 HG SER A 21 15.670 5.213 -4.904 1.00 34.15 H new ATOM 301 N GLY A 22 11.666 2.136 -5.963 1.00 14.02 N ATOM 302 CA GLY A 22 11.175 1.048 -6.812 1.00 3.24 C ATOM 303 C GLY A 22 9.734 1.270 -7.274 1.00 54.13 C ATOM 304 O GLY A 22 9.275 0.621 -8.217 1.00 44.20 O ATOM 0 H GLY A 22 11.789 1.871 -4.986 1.00 14.02 H new ATOM 0 HA2 GLY A 22 11.822 0.952 -7.684 1.00 3.24 H new ATOM 0 HA3 GLY A 22 11.237 0.108 -6.264 1.00 3.24 H new ATOM 308 N LEU A 23 9.013 2.174 -6.603 1.00 10.24 N ATOM 309 CA LEU A 23 7.720 2.696 -7.001 1.00 13.02 C ATOM 310 C LEU A 23 7.881 3.494 -8.286 1.00 74.43 C ATOM 311 O LEU A 23 8.673 4.438 -8.346 1.00 24.23 O ATOM 312 CB LEU A 23 7.167 3.562 -5.857 1.00 50.01 C ATOM 313 CG LEU A 23 5.849 4.295 -6.196 1.00 3.22 C ATOM 314 CD1 LEU A 23 4.975 4.348 -4.943 1.00 24.12 C ATOM 315 CD2 LEU A 23 6.081 5.741 -6.648 1.00 52.14 C ATOM 0 H LEU A 23 9.340 2.576 -5.724 1.00 10.24 H new ATOM 0 HA LEU A 23 7.013 1.889 -7.194 1.00 13.02 H new ATOM 0 HB2 LEU A 23 7.004 2.930 -4.984 1.00 50.01 H new ATOM 0 HB3 LEU A 23 7.919 4.300 -5.579 1.00 50.01 H new ATOM 0 HG LEU A 23 5.377 3.744 -7.009 1.00 3.22 H new ATOM 0 HD11 LEU A 23 4.042 4.863 -5.172 1.00 24.12 H new ATOM 0 HD12 LEU A 23 4.757 3.334 -4.609 1.00 24.12 H new ATOM 0 HD13 LEU A 23 5.502 4.885 -4.154 1.00 24.12 H new ATOM 0 HD21 LEU A 23 5.123 6.210 -6.874 1.00 52.14 H new ATOM 0 HD22 LEU A 23 6.578 6.296 -5.852 1.00 52.14 H new ATOM 0 HD23 LEU A 23 6.707 5.747 -7.540 1.00 52.14 H new ATOM 327 N LYS A 24 7.055 3.161 -9.275 1.00 21.34 N ATOM 328 CA LYS A 24 6.855 3.938 -10.481 1.00 41.02 C ATOM 329 C LYS A 24 5.437 4.471 -10.418 1.00 54.42 C ATOM 330 O LYS A 24 4.494 3.697 -10.575 1.00 73.40 O ATOM 331 CB LYS A 24 7.088 3.095 -11.734 1.00 44.30 C ATOM 332 CG LYS A 24 8.511 2.533 -11.870 1.00 54.03 C ATOM 333 CD LYS A 24 8.868 2.172 -13.325 1.00 52.51 C ATOM 334 CE LYS A 24 8.325 0.835 -13.856 1.00 72.41 C ATOM 335 NZ LYS A 24 6.854 0.696 -13.805 1.00 14.43 N ATOM 0 H LYS A 24 6.490 2.312 -9.251 1.00 21.34 H new ATOM 0 HA LYS A 24 7.572 4.757 -10.541 1.00 41.02 H new ATOM 0 HB2 LYS A 24 6.382 2.265 -11.734 1.00 44.30 H new ATOM 0 HB3 LYS A 24 6.866 3.702 -12.611 1.00 44.30 H new ATOM 0 HG2 LYS A 24 9.225 3.267 -11.496 1.00 54.03 H new ATOM 0 HG3 LYS A 24 8.609 1.646 -11.245 1.00 54.03 H new ATOM 0 HD2 LYS A 24 8.503 2.969 -13.973 1.00 52.51 H new ATOM 0 HD3 LYS A 24 9.954 2.159 -13.416 1.00 52.51 H new ATOM 0 HE2 LYS A 24 8.651 0.711 -14.889 1.00 72.41 H new ATOM 0 HE3 LYS A 24 8.772 0.024 -13.281 1.00 72.41 H new ATOM 0 HZ1 LYS A 24 6.551 -0.036 -14.478 1.00 14.43 H new ATOM 0 HZ2 LYS A 24 6.564 0.424 -12.844 1.00 14.43 H new ATOM 0 HZ3 LYS A 24 6.411 1.603 -14.057 1.00 14.43 H new ATOM 349 N ASN A 25 5.279 5.764 -10.132 1.00 53.22 N ATOM 350 CA ASN A 25 4.024 6.519 -10.004 1.00 61.43 C ATOM 351 C ASN A 25 3.078 6.076 -8.883 1.00 73.11 C ATOM 352 O ASN A 25 2.359 6.917 -8.348 1.00 44.32 O ATOM 353 CB ASN A 25 3.313 6.606 -11.363 1.00 22.14 C ATOM 354 CG ASN A 25 2.036 7.439 -11.321 1.00 31.31 C ATOM 355 OD1 ASN A 25 0.937 6.902 -11.429 1.00 72.23 O ATOM 356 ND2 ASN A 25 2.133 8.751 -11.207 1.00 65.13 N ATOM 0 H ASN A 25 6.089 6.362 -9.970 1.00 53.22 H new ATOM 0 HA ASN A 25 4.327 7.516 -9.683 1.00 61.43 H new ATOM 0 HB2 ASN A 25 3.996 7.036 -12.096 1.00 22.14 H new ATOM 0 HB3 ASN A 25 3.071 5.599 -11.704 1.00 22.14 H new ATOM 0 HD21 ASN A 25 1.291 9.327 -11.208 1.00 65.13 H new ATOM 0 HD22 ASN A 25 3.050 9.189 -11.118 1.00 65.13 H new ATOM 363 N GLY A 26 3.106 4.812 -8.472 1.00 12.51 N ATOM 364 CA GLY A 26 2.291 4.189 -7.434 1.00 61.23 C ATOM 365 C GLY A 26 2.457 2.668 -7.445 1.00 2.35 C ATOM 366 O GLY A 26 2.180 1.998 -6.450 1.00 45.22 O ATOM 0 H GLY A 26 3.752 4.142 -8.890 1.00 12.51 H new ATOM 0 HA2 GLY A 26 2.576 4.582 -6.458 1.00 61.23 H new ATOM 0 HA3 GLY A 26 1.243 4.445 -7.587 1.00 61.23 H new ATOM 370 N GLU A 27 2.940 2.117 -8.561 1.00 23.05 N ATOM 371 CA GLU A 27 3.058 0.687 -8.793 1.00 33.40 C ATOM 372 C GLU A 27 4.488 0.261 -8.469 1.00 42.45 C ATOM 373 O GLU A 27 5.451 0.833 -8.990 1.00 14.25 O ATOM 374 CB GLU A 27 2.729 0.391 -10.264 1.00 5.13 C ATOM 375 CG GLU A 27 2.718 -1.114 -10.582 1.00 42.32 C ATOM 376 CD GLU A 27 3.274 -1.377 -11.982 1.00 43.53 C ATOM 377 OE1 GLU A 27 2.788 -0.792 -12.966 1.00 4.13 O ATOM 378 OE2 GLU A 27 4.264 -2.148 -12.109 1.00 11.41 O ATOM 0 H GLU A 27 3.268 2.676 -9.348 1.00 23.05 H new ATOM 0 HA GLU A 27 2.365 0.133 -8.160 1.00 33.40 H new ATOM 0 HB2 GLU A 27 1.755 0.816 -10.506 1.00 5.13 H new ATOM 0 HB3 GLU A 27 3.461 0.887 -10.902 1.00 5.13 H new ATOM 0 HG2 GLU A 27 3.313 -1.651 -9.843 1.00 42.32 H new ATOM 0 HG3 GLU A 27 1.700 -1.498 -10.512 1.00 42.32 H new ATOM 385 N LEU A 28 4.646 -0.745 -7.621 1.00 42.32 N ATOM 386 CA LEU A 28 5.939 -1.274 -7.206 1.00 4.22 C ATOM 387 C LEU A 28 6.330 -2.442 -8.120 1.00 44.31 C ATOM 388 O LEU A 28 5.563 -2.863 -8.985 1.00 74.52 O ATOM 389 CB LEU A 28 5.832 -1.707 -5.728 1.00 1.01 C ATOM 390 CG LEU A 28 5.878 -0.559 -4.698 1.00 35.52 C ATOM 391 CD1 LEU A 28 7.305 -0.030 -4.526 1.00 23.34 C ATOM 392 CD2 LEU A 28 4.872 0.577 -4.946 1.00 41.45 C ATOM 0 H LEU A 28 3.858 -1.229 -7.191 1.00 42.32 H new ATOM 0 HA LEU A 28 6.720 -0.518 -7.291 1.00 4.22 H new ATOM 0 HB2 LEU A 28 4.900 -2.256 -5.594 1.00 1.01 H new ATOM 0 HB3 LEU A 28 6.644 -2.401 -5.510 1.00 1.01 H new ATOM 0 HG LEU A 28 5.553 -1.005 -3.758 1.00 35.52 H new ATOM 0 HD11 LEU A 28 7.308 0.778 -3.795 1.00 23.34 H new ATOM 0 HD12 LEU A 28 7.952 -0.835 -4.179 1.00 23.34 H new ATOM 0 HD13 LEU A 28 7.672 0.344 -5.482 1.00 23.34 H new ATOM 0 HD21 LEU A 28 4.981 1.335 -4.171 1.00 41.45 H new ATOM 0 HD22 LEU A 28 5.062 1.025 -5.921 1.00 41.45 H new ATOM 0 HD23 LEU A 28 3.858 0.177 -4.922 1.00 41.45 H new ATOM 404 N LYS A 29 7.521 -3.001 -7.912 1.00 23.22 N ATOM 405 CA LYS A 29 7.868 -4.356 -8.344 1.00 64.33 C ATOM 406 C LYS A 29 8.347 -5.115 -7.109 1.00 33.50 C ATOM 407 O LYS A 29 8.716 -4.476 -6.124 1.00 60.35 O ATOM 408 CB LYS A 29 8.970 -4.325 -9.416 1.00 12.42 C ATOM 409 CG LYS A 29 8.640 -5.078 -10.713 1.00 44.05 C ATOM 410 CD LYS A 29 7.985 -4.158 -11.753 1.00 43.34 C ATOM 411 CE LYS A 29 7.978 -4.852 -13.122 1.00 20.34 C ATOM 412 NZ LYS A 29 7.503 -3.948 -14.190 1.00 34.41 N ATOM 0 H LYS A 29 8.282 -2.520 -7.433 1.00 23.22 H new ATOM 0 HA LYS A 29 7.002 -4.846 -8.788 1.00 64.33 H new ATOM 0 HB2 LYS A 29 9.186 -3.285 -9.663 1.00 12.42 H new ATOM 0 HB3 LYS A 29 9.881 -4.747 -8.991 1.00 12.42 H new ATOM 0 HG2 LYS A 29 9.553 -5.505 -11.128 1.00 44.05 H new ATOM 0 HG3 LYS A 29 7.972 -5.910 -10.491 1.00 44.05 H new ATOM 0 HD2 LYS A 29 6.966 -3.918 -11.450 1.00 43.34 H new ATOM 0 HD3 LYS A 29 8.530 -3.216 -11.814 1.00 43.34 H new ATOM 0 HE2 LYS A 29 8.984 -5.199 -13.359 1.00 20.34 H new ATOM 0 HE3 LYS A 29 7.338 -5.734 -13.080 1.00 20.34 H new ATOM 0 HZ1 LYS A 29 7.512 -4.451 -15.100 1.00 34.41 H new ATOM 0 HZ2 LYS A 29 6.534 -3.637 -13.976 1.00 34.41 H new ATOM 0 HZ3 LYS A 29 8.128 -3.119 -14.247 1.00 34.41 H new ATOM 426 N VAL A 30 8.267 -6.444 -7.147 1.00 73.55 N ATOM 427 CA VAL A 30 8.797 -7.416 -6.198 1.00 74.25 C ATOM 428 C VAL A 30 9.215 -8.619 -7.026 1.00 55.01 C ATOM 429 O VAL A 30 8.604 -8.920 -8.064 1.00 3.01 O ATOM 430 CB VAL A 30 7.749 -7.784 -5.119 1.00 14.42 C ATOM 431 CG1 VAL A 30 8.053 -9.053 -4.329 1.00 31.42 C ATOM 432 CG2 VAL A 30 7.581 -6.658 -4.078 1.00 54.32 C ATOM 0 H VAL A 30 7.784 -6.909 -7.916 1.00 73.55 H new ATOM 0 HA VAL A 30 9.645 -7.013 -5.645 1.00 74.25 H new ATOM 0 HB VAL A 30 6.844 -7.944 -5.704 1.00 14.42 H new ATOM 0 HG11 VAL A 30 7.262 -9.225 -3.599 1.00 31.42 H new ATOM 0 HG12 VAL A 30 8.109 -9.902 -5.011 1.00 31.42 H new ATOM 0 HG13 VAL A 30 9.006 -8.940 -3.812 1.00 31.42 H new ATOM 0 HG21 VAL A 30 6.837 -6.954 -3.338 1.00 54.32 H new ATOM 0 HG22 VAL A 30 8.534 -6.476 -3.582 1.00 54.32 H new ATOM 0 HG23 VAL A 30 7.253 -5.747 -4.578 1.00 54.32 H new ATOM 442 N GLU A 31 10.256 -9.300 -6.555 1.00 22.13 N ATOM 443 CA GLU A 31 10.682 -10.568 -7.112 1.00 40.25 C ATOM 444 C GLU A 31 10.210 -11.720 -6.237 1.00 34.33 C ATOM 445 O GLU A 31 9.580 -11.526 -5.198 1.00 3.10 O ATOM 446 CB GLU A 31 12.190 -10.598 -7.379 1.00 41.35 C ATOM 447 CG GLU A 31 13.037 -10.530 -6.112 1.00 62.51 C ATOM 448 CD GLU A 31 14.495 -10.346 -6.493 1.00 42.13 C ATOM 449 OE1 GLU A 31 14.905 -9.175 -6.698 1.00 64.52 O ATOM 450 OE2 GLU A 31 15.223 -11.352 -6.655 1.00 14.34 O ATOM 0 H GLU A 31 10.827 -8.981 -5.772 1.00 22.13 H new ATOM 0 HA GLU A 31 10.210 -10.690 -8.087 1.00 40.25 H new ATOM 0 HB2 GLU A 31 12.436 -11.511 -7.922 1.00 41.35 H new ATOM 0 HB3 GLU A 31 12.452 -9.761 -8.027 1.00 41.35 H new ATOM 0 HG2 GLU A 31 12.706 -9.703 -5.484 1.00 62.51 H new ATOM 0 HG3 GLU A 31 12.914 -11.443 -5.529 1.00 62.51 H new ATOM 457 N ALA A 32 10.532 -12.939 -6.645 1.00 40.03 N ATOM 458 CA ALA A 32 10.264 -14.183 -5.961 1.00 63.54 C ATOM 459 C ALA A 32 10.991 -14.316 -4.607 1.00 4.33 C ATOM 460 O ALA A 32 11.386 -15.417 -4.230 1.00 14.40 O ATOM 461 CB ALA A 32 10.656 -15.276 -6.947 1.00 61.31 C ATOM 0 H ALA A 32 11.022 -13.088 -7.527 1.00 40.03 H new ATOM 0 HA ALA A 32 9.213 -14.249 -5.682 1.00 63.54 H new ATOM 0 HB1 ALA A 32 10.480 -16.253 -6.496 1.00 61.31 H new ATOM 0 HB2 ALA A 32 10.057 -15.181 -7.853 1.00 61.31 H new ATOM 0 HB3 ALA A 32 11.712 -15.178 -7.198 1.00 61.31 H new ATOM 467 N GLU A 33 11.207 -13.225 -3.874 1.00 43.31 N ATOM 468 CA GLU A 33 11.699 -13.186 -2.504 1.00 64.53 C ATOM 469 C GLU A 33 10.817 -12.252 -1.702 1.00 34.50 C ATOM 470 O GLU A 33 10.466 -12.578 -0.574 1.00 51.21 O ATOM 471 CB GLU A 33 13.171 -12.764 -2.481 1.00 32.10 C ATOM 472 CG GLU A 33 13.502 -11.288 -2.729 1.00 22.10 C ATOM 473 CD GLU A 33 13.676 -10.422 -1.477 1.00 54.12 C ATOM 474 OE1 GLU A 33 13.360 -10.885 -0.355 1.00 40.02 O ATOM 475 OE2 GLU A 33 14.147 -9.278 -1.623 1.00 23.21 O ATOM 0 H GLU A 33 11.032 -12.291 -4.245 1.00 43.31 H new ATOM 0 HA GLU A 33 11.652 -14.176 -2.051 1.00 64.53 H new ATOM 0 HB2 GLU A 33 13.582 -13.039 -1.510 1.00 32.10 H new ATOM 0 HB3 GLU A 33 13.699 -13.355 -3.230 1.00 32.10 H new ATOM 0 HG2 GLU A 33 14.420 -11.235 -3.314 1.00 22.10 H new ATOM 0 HG3 GLU A 33 12.709 -10.855 -3.339 1.00 22.10 H new ATOM 482 N GLY A 34 10.408 -11.117 -2.273 1.00 4.30 N ATOM 483 CA GLY A 34 9.951 -10.043 -1.431 1.00 62.22 C ATOM 484 C GLY A 34 10.395 -8.664 -1.899 1.00 34.23 C ATOM 485 O GLY A 34 11.105 -8.523 -2.894 1.00 33.54 O ATOM 0 H GLY A 34 10.388 -10.933 -3.276 1.00 4.30 H new ATOM 0 HA2 GLY A 34 8.862 -10.068 -1.385 1.00 62.22 H new ATOM 0 HA3 GLY A 34 10.317 -10.208 -0.417 1.00 62.22 H new ATOM 489 N GLY A 35 9.935 -7.646 -1.183 1.00 43.05 N ATOM 490 CA GLY A 35 10.433 -6.290 -1.233 1.00 74.22 C ATOM 491 C GLY A 35 9.783 -5.472 -0.128 1.00 11.34 C ATOM 492 O GLY A 35 8.555 -5.452 0.015 1.00 62.52 O ATOM 0 H GLY A 35 9.167 -7.756 -0.521 1.00 43.05 H new ATOM 0 HA2 GLY A 35 11.517 -6.284 -1.115 1.00 74.22 H new ATOM 0 HA3 GLY A 35 10.216 -5.847 -2.205 1.00 74.22 H new ATOM 496 N SER A 36 10.631 -4.814 0.660 1.00 33.41 N ATOM 497 CA SER A 36 10.324 -4.339 2.006 1.00 22.21 C ATOM 498 C SER A 36 10.414 -2.815 2.015 1.00 14.21 C ATOM 499 O SER A 36 11.502 -2.269 1.835 1.00 34.13 O ATOM 500 CB SER A 36 11.262 -5.003 3.026 1.00 43.14 C ATOM 501 OG SER A 36 11.491 -6.363 2.677 1.00 40.22 O ATOM 0 H SER A 36 11.582 -4.590 0.368 1.00 33.41 H new ATOM 0 HA SER A 36 9.311 -4.616 2.297 1.00 22.21 H new ATOM 0 HB2 SER A 36 12.210 -4.466 3.062 1.00 43.14 H new ATOM 0 HB3 SER A 36 10.825 -4.945 4.023 1.00 43.14 H new ATOM 0 HG SER A 36 12.091 -6.773 3.334 1.00 40.22 H new ATOM 507 N SER A 37 9.278 -2.118 2.111 1.00 71.52 N ATOM 508 CA SER A 37 9.133 -0.737 1.656 1.00 34.14 C ATOM 509 C SER A 37 8.481 0.115 2.749 1.00 40.21 C ATOM 510 O SER A 37 7.537 -0.362 3.386 1.00 52.43 O ATOM 511 CB SER A 37 8.263 -0.776 0.396 1.00 62.54 C ATOM 512 OG SER A 37 8.653 -1.796 -0.516 1.00 23.11 O ATOM 0 H SER A 37 8.424 -2.504 2.512 1.00 71.52 H new ATOM 0 HA SER A 37 10.102 -0.288 1.437 1.00 34.14 H new ATOM 0 HB2 SER A 37 7.223 -0.931 0.684 1.00 62.54 H new ATOM 0 HB3 SER A 37 8.314 0.191 -0.105 1.00 62.54 H new ATOM 0 HG SER A 37 8.065 -1.777 -1.299 1.00 23.11 H new ATOM 518 N LEU A 38 8.943 1.357 2.946 1.00 71.40 N ATOM 519 CA LEU A 38 8.453 2.304 3.956 1.00 43.13 C ATOM 520 C LEU A 38 7.769 3.494 3.284 1.00 51.12 C ATOM 521 O LEU A 38 8.281 4.033 2.304 1.00 11.31 O ATOM 522 CB LEU A 38 9.636 2.802 4.812 1.00 61.30 C ATOM 523 CG LEU A 38 9.343 4.039 5.696 1.00 52.13 C ATOM 524 CD1 LEU A 38 8.248 3.820 6.742 1.00 21.14 C ATOM 525 CD2 LEU A 38 10.599 4.486 6.446 1.00 41.03 C ATOM 0 H LEU A 38 9.700 1.745 2.383 1.00 71.40 H new ATOM 0 HA LEU A 38 7.728 1.797 4.592 1.00 43.13 H new ATOM 0 HB2 LEU A 38 9.965 1.986 5.456 1.00 61.30 H new ATOM 0 HB3 LEU A 38 10.468 3.040 4.149 1.00 61.30 H new ATOM 0 HG LEU A 38 8.999 4.797 4.992 1.00 52.13 H new ATOM 0 HD11 LEU A 38 8.106 4.735 7.317 1.00 21.14 H new ATOM 0 HD12 LEU A 38 7.315 3.557 6.243 1.00 21.14 H new ATOM 0 HD13 LEU A 38 8.541 3.012 7.412 1.00 21.14 H new ATOM 0 HD21 LEU A 38 10.366 5.356 7.059 1.00 41.03 H new ATOM 0 HD22 LEU A 38 10.949 3.675 7.085 1.00 41.03 H new ATOM 0 HD23 LEU A 38 11.378 4.745 5.729 1.00 41.03 H new ATOM 537 N PHE A 39 6.654 3.944 3.859 1.00 23.31 N ATOM 538 CA PHE A 39 5.805 5.010 3.365 1.00 13.23 C ATOM 539 C PHE A 39 5.366 5.868 4.559 1.00 14.03 C ATOM 540 O PHE A 39 4.489 5.471 5.330 1.00 51.32 O ATOM 541 CB PHE A 39 4.623 4.396 2.606 1.00 42.22 C ATOM 542 CG PHE A 39 5.044 3.387 1.556 1.00 0.15 C ATOM 543 CD1 PHE A 39 5.399 3.817 0.267 1.00 34.12 C ATOM 544 CD2 PHE A 39 5.057 2.014 1.863 1.00 71.20 C ATOM 545 CE1 PHE A 39 5.732 2.871 -0.716 1.00 2.02 C ATOM 546 CE2 PHE A 39 5.377 1.070 0.876 1.00 74.33 C ATOM 547 CZ PHE A 39 5.718 1.497 -0.418 1.00 51.13 C ATOM 0 H PHE A 39 6.306 3.547 4.731 1.00 23.31 H new ATOM 0 HA PHE A 39 6.334 5.657 2.665 1.00 13.23 H new ATOM 0 HB2 PHE A 39 3.955 3.912 3.318 1.00 42.22 H new ATOM 0 HB3 PHE A 39 4.054 5.193 2.127 1.00 42.22 H new ATOM 0 HD1 PHE A 39 5.416 4.871 0.033 1.00 34.12 H new ATOM 0 HD2 PHE A 39 4.819 1.685 2.864 1.00 71.20 H new ATOM 0 HE1 PHE A 39 6.001 3.201 -1.708 1.00 2.02 H new ATOM 0 HE2 PHE A 39 5.361 0.016 1.111 1.00 74.33 H new ATOM 0 HZ PHE A 39 5.968 0.774 -1.180 1.00 51.13 H new ATOM 557 N ALA A 40 5.998 7.028 4.767 1.00 21.54 N ATOM 558 CA ALA A 40 5.671 7.912 5.896 1.00 14.31 C ATOM 559 C ALA A 40 4.818 9.087 5.429 1.00 41.34 C ATOM 560 O ALA A 40 5.240 9.841 4.551 1.00 21.21 O ATOM 561 CB ALA A 40 6.927 8.431 6.588 1.00 41.00 C ATOM 0 H ALA A 40 6.743 7.380 4.166 1.00 21.54 H new ATOM 0 HA ALA A 40 5.106 7.320 6.616 1.00 14.31 H new ATOM 0 HB1 ALA A 40 6.644 9.080 7.416 1.00 41.00 H new ATOM 0 HB2 ALA A 40 7.507 7.590 6.968 1.00 41.00 H new ATOM 0 HB3 ALA A 40 7.529 8.994 5.875 1.00 41.00 H new ATOM 567 N CYS A 41 3.621 9.240 5.989 1.00 12.01 N ATOM 568 CA CYS A 41 2.626 10.226 5.580 1.00 62.30 C ATOM 569 C CYS A 41 2.810 11.493 6.438 1.00 63.52 C ATOM 570 O CYS A 41 2.520 11.459 7.631 1.00 73.33 O ATOM 571 CB CYS A 41 1.245 9.568 5.761 1.00 41.10 C ATOM 572 SG CYS A 41 0.220 9.622 4.266 1.00 25.31 S ATOM 0 H CYS A 41 3.307 8.660 6.767 1.00 12.01 H new ATOM 0 HA CYS A 41 2.730 10.532 4.539 1.00 62.30 H new ATOM 0 HB2 CYS A 41 1.382 8.529 6.061 1.00 41.10 H new ATOM 0 HB3 CYS A 41 0.717 10.067 6.573 1.00 41.10 H new ATOM 0 HG CYS A 41 0.615 8.703 3.435 1.00 25.31 H new ATOM 578 N LYS A 42 3.340 12.600 5.895 1.00 52.01 N ATOM 579 CA LYS A 42 3.713 13.780 6.708 1.00 3.42 C ATOM 580 C LYS A 42 2.593 14.835 6.792 1.00 24.14 C ATOM 581 O LYS A 42 2.852 16.021 7.016 1.00 72.23 O ATOM 582 CB LYS A 42 5.024 14.393 6.204 1.00 5.02 C ATOM 583 CG LYS A 42 5.747 15.260 7.260 1.00 62.41 C ATOM 584 CD LYS A 42 6.629 16.322 6.592 1.00 14.42 C ATOM 585 CE LYS A 42 7.308 17.236 7.614 1.00 13.44 C ATOM 586 NZ LYS A 42 8.526 16.649 8.202 1.00 72.34 N ATOM 0 H LYS A 42 3.522 12.708 4.897 1.00 52.01 H new ATOM 0 HA LYS A 42 3.866 13.424 7.727 1.00 3.42 H new ATOM 0 HB2 LYS A 42 5.691 13.592 5.885 1.00 5.02 H new ATOM 0 HB3 LYS A 42 4.816 15.003 5.325 1.00 5.02 H new ATOM 0 HG2 LYS A 42 5.012 15.745 7.902 1.00 62.41 H new ATOM 0 HG3 LYS A 42 6.359 14.624 7.900 1.00 62.41 H new ATOM 0 HD2 LYS A 42 7.389 15.831 5.985 1.00 14.42 H new ATOM 0 HD3 LYS A 42 6.021 16.924 5.916 1.00 14.42 H new ATOM 0 HE2 LYS A 42 7.564 18.180 7.133 1.00 13.44 H new ATOM 0 HE3 LYS A 42 6.602 17.465 8.412 1.00 13.44 H new ATOM 0 HZ1 LYS A 42 8.938 17.316 8.885 1.00 72.34 H new ATOM 0 HZ2 LYS A 42 8.284 15.762 8.687 1.00 72.34 H new ATOM 0 HZ3 LYS A 42 9.216 16.455 7.449 1.00 72.34 H new ATOM 600 N ASN A 43 1.360 14.481 6.453 1.00 12.32 N ATOM 601 CA ASN A 43 0.232 15.418 6.437 1.00 12.42 C ATOM 602 C ASN A 43 -1.094 14.728 6.765 1.00 33.35 C ATOM 603 O ASN A 43 -2.135 15.384 6.793 1.00 22.35 O ATOM 604 CB ASN A 43 0.205 16.244 5.131 1.00 74.52 C ATOM 605 CG ASN A 43 0.385 15.455 3.861 1.00 14.45 C ATOM 606 OD1 ASN A 43 1.472 14.935 3.627 1.00 41.03 O ATOM 607 ND2 ASN A 43 -0.603 15.442 2.983 1.00 74.44 N ATOM 0 H ASN A 43 1.108 13.531 6.179 1.00 12.32 H new ATOM 0 HA ASN A 43 0.381 16.139 7.241 1.00 12.42 H new ATOM 0 HB2 ASN A 43 -0.746 16.775 5.077 1.00 74.52 H new ATOM 0 HB3 ASN A 43 0.989 16.999 5.183 1.00 74.52 H new ATOM 0 HD21 ASN A 43 -0.475 14.990 2.078 1.00 74.44 H new ATOM 0 HD22 ASN A 43 -1.494 15.884 3.211 1.00 74.44 H new ATOM 614 N TYR A 44 -1.068 13.438 7.104 1.00 13.35 N ATOM 615 CA TYR A 44 -2.150 12.698 7.735 1.00 50.44 C ATOM 616 C TYR A 44 -1.475 11.721 8.709 1.00 72.23 C ATOM 617 O TYR A 44 -0.428 11.162 8.391 1.00 31.55 O ATOM 618 CB TYR A 44 -2.990 11.972 6.668 1.00 31.45 C ATOM 619 CG TYR A 44 -3.826 12.876 5.763 1.00 34.21 C ATOM 620 CD1 TYR A 44 -5.075 13.351 6.211 1.00 4.41 C ATOM 621 CD2 TYR A 44 -3.386 13.213 4.465 1.00 44.10 C ATOM 622 CE1 TYR A 44 -5.876 14.149 5.374 1.00 50.10 C ATOM 623 CE2 TYR A 44 -4.185 14.016 3.618 1.00 12.35 C ATOM 624 CZ TYR A 44 -5.437 14.485 4.074 1.00 30.32 C ATOM 625 OH TYR A 44 -6.223 15.285 3.294 1.00 43.41 O ATOM 0 H TYR A 44 -0.248 12.856 6.935 1.00 13.35 H new ATOM 0 HA TYR A 44 -2.842 13.348 8.270 1.00 50.44 H new ATOM 0 HB2 TYR A 44 -2.320 11.381 6.043 1.00 31.45 H new ATOM 0 HB3 TYR A 44 -3.658 11.272 7.170 1.00 31.45 H new ATOM 0 HD1 TYR A 44 -5.419 13.101 7.204 1.00 4.41 H new ATOM 0 HD2 TYR A 44 -2.429 12.854 4.115 1.00 44.10 H new ATOM 0 HE1 TYR A 44 -6.832 14.507 5.727 1.00 50.10 H new ATOM 0 HE2 TYR A 44 -3.839 14.270 2.627 1.00 12.35 H new ATOM 0 HH TYR A 44 -5.787 15.428 2.428 1.00 43.41 H new ATOM 635 N LYS A 45 -2.047 11.524 9.896 1.00 62.54 N ATOM 636 CA LYS A 45 -1.615 10.603 10.959 1.00 54.32 C ATOM 637 C LYS A 45 -2.857 9.829 11.402 1.00 24.54 C ATOM 638 O LYS A 45 -3.192 9.774 12.584 1.00 22.53 O ATOM 639 CB LYS A 45 -1.000 11.412 12.116 1.00 3.45 C ATOM 640 CG LYS A 45 0.476 11.743 11.887 1.00 43.21 C ATOM 641 CD LYS A 45 0.795 13.218 12.103 1.00 50.21 C ATOM 642 CE LYS A 45 2.308 13.441 12.144 1.00 70.40 C ATOM 643 NZ LYS A 45 2.849 13.266 13.507 1.00 54.44 N ATOM 0 H LYS A 45 -2.886 12.039 10.164 1.00 62.54 H new ATOM 0 HA LYS A 45 -0.851 9.906 10.615 1.00 54.32 H new ATOM 0 HB2 LYS A 45 -1.560 12.338 12.244 1.00 3.45 H new ATOM 0 HB3 LYS A 45 -1.102 10.847 13.043 1.00 3.45 H new ATOM 0 HG2 LYS A 45 1.086 11.142 12.561 1.00 43.21 H new ATOM 0 HG3 LYS A 45 0.753 11.462 10.871 1.00 43.21 H new ATOM 0 HD2 LYS A 45 0.356 13.812 11.301 1.00 50.21 H new ATOM 0 HD3 LYS A 45 0.346 13.560 13.036 1.00 50.21 H new ATOM 0 HE2 LYS A 45 2.797 12.742 11.466 1.00 70.40 H new ATOM 0 HE3 LYS A 45 2.538 14.445 11.787 1.00 70.40 H new ATOM 0 HZ1 LYS A 45 3.877 13.425 13.496 1.00 54.44 H new ATOM 0 HZ2 LYS A 45 2.400 13.950 14.149 1.00 54.44 H new ATOM 0 HZ3 LYS A 45 2.652 12.300 13.837 1.00 54.44 H new ATOM 657 N SER A 46 -3.652 9.422 10.419 1.00 73.42 N ATOM 658 CA SER A 46 -5.089 9.343 10.599 1.00 72.30 C ATOM 659 C SER A 46 -5.746 8.602 9.433 1.00 32.13 C ATOM 660 O SER A 46 -6.726 9.079 8.855 1.00 2.23 O ATOM 661 CB SER A 46 -5.619 10.772 10.827 1.00 22.22 C ATOM 662 OG SER A 46 -4.937 11.773 10.070 1.00 32.43 O ATOM 0 H SER A 46 -3.324 9.144 9.494 1.00 73.42 H new ATOM 0 HA SER A 46 -5.348 8.751 11.477 1.00 72.30 H new ATOM 0 HB2 SER A 46 -6.679 10.800 10.575 1.00 22.22 H new ATOM 0 HB3 SER A 46 -5.537 11.014 11.887 1.00 22.22 H new ATOM 0 HG SER A 46 -5.326 12.651 10.263 1.00 32.43 H new ATOM 668 N PHE A 47 -5.197 7.448 9.061 1.00 31.34 N ATOM 669 CA PHE A 47 -5.673 6.626 7.951 1.00 52.31 C ATOM 670 C PHE A 47 -5.873 5.165 8.364 1.00 11.23 C ATOM 671 O PHE A 47 -5.566 4.783 9.497 1.00 54.12 O ATOM 672 CB PHE A 47 -4.743 6.803 6.738 1.00 24.41 C ATOM 673 CG PHE A 47 -3.293 6.379 6.890 1.00 20.35 C ATOM 674 CD1 PHE A 47 -2.337 7.283 7.393 1.00 2.15 C ATOM 675 CD2 PHE A 47 -2.881 5.113 6.437 1.00 61.35 C ATOM 676 CE1 PHE A 47 -0.980 6.919 7.453 1.00 72.50 C ATOM 677 CE2 PHE A 47 -1.523 4.757 6.467 1.00 23.21 C ATOM 678 CZ PHE A 47 -0.572 5.656 6.987 1.00 35.14 C ATOM 0 H PHE A 47 -4.388 7.048 9.536 1.00 31.34 H new ATOM 0 HA PHE A 47 -6.664 6.968 7.652 1.00 52.31 H new ATOM 0 HB2 PHE A 47 -5.170 6.245 5.905 1.00 24.41 H new ATOM 0 HB3 PHE A 47 -4.756 7.856 6.457 1.00 24.41 H new ATOM 0 HD1 PHE A 47 -2.647 8.260 7.734 1.00 2.15 H new ATOM 0 HD2 PHE A 47 -3.612 4.411 6.064 1.00 61.35 H new ATOM 0 HE1 PHE A 47 -0.252 7.608 7.856 1.00 72.50 H new ATOM 0 HE2 PHE A 47 -1.208 3.795 6.092 1.00 23.21 H new ATOM 0 HZ PHE A 47 0.470 5.376 7.028 1.00 35.14 H new ATOM 688 N TRP A 48 -6.426 4.342 7.472 1.00 74.13 N ATOM 689 CA TRP A 48 -6.691 2.924 7.697 1.00 44.02 C ATOM 690 C TRP A 48 -6.713 2.165 6.384 1.00 20.52 C ATOM 691 O TRP A 48 -6.722 2.736 5.296 1.00 15.31 O ATOM 692 CB TRP A 48 -8.040 2.760 8.413 1.00 72.21 C ATOM 693 CG TRP A 48 -9.259 3.248 7.690 1.00 3.04 C ATOM 694 CD1 TRP A 48 -9.925 2.569 6.730 1.00 54.42 C ATOM 695 CD2 TRP A 48 -9.992 4.496 7.868 1.00 23.42 C ATOM 696 NE1 TRP A 48 -10.985 3.316 6.271 1.00 13.10 N ATOM 697 CE2 TRP A 48 -11.085 4.509 6.951 1.00 52.24 C ATOM 698 CE3 TRP A 48 -9.875 5.593 8.749 1.00 3.11 C ATOM 699 CZ2 TRP A 48 -11.996 5.570 6.895 1.00 4.20 C ATOM 700 CZ3 TRP A 48 -10.801 6.653 8.717 1.00 62.45 C ATOM 701 CH2 TRP A 48 -11.844 6.652 7.775 1.00 73.22 C ATOM 0 H TRP A 48 -6.710 4.656 6.544 1.00 74.13 H new ATOM 0 HA TRP A 48 -5.893 2.516 8.318 1.00 44.02 H new ATOM 0 HB2 TRP A 48 -8.179 1.702 8.635 1.00 72.21 H new ATOM 0 HB3 TRP A 48 -7.982 3.281 9.369 1.00 72.21 H new ATOM 0 HD1 TRP A 48 -9.663 1.583 6.375 1.00 54.42 H new ATOM 0 HE1 TRP A 48 -11.615 3.024 5.524 1.00 13.10 H new ATOM 0 HE3 TRP A 48 -9.062 5.619 9.459 1.00 3.11 H new ATOM 0 HZ2 TRP A 48 -12.807 5.556 6.182 1.00 4.20 H new ATOM 0 HZ3 TRP A 48 -10.710 7.469 9.418 1.00 62.45 H new ATOM 0 HH2 TRP A 48 -12.529 7.485 7.728 1.00 73.22 H new ATOM 712 N ILE A 49 -6.734 0.844 6.529 1.00 53.24 N ATOM 713 CA ILE A 49 -6.795 -0.127 5.452 1.00 53.31 C ATOM 714 C ILE A 49 -8.227 -0.166 4.935 1.00 4.03 C ATOM 715 O ILE A 49 -9.108 -0.613 5.670 1.00 13.23 O ATOM 716 CB ILE A 49 -6.337 -1.501 5.980 1.00 3.34 C ATOM 717 CG1 ILE A 49 -4.947 -1.396 6.656 1.00 52.25 C ATOM 718 CG2 ILE A 49 -6.379 -2.521 4.829 1.00 74.41 C ATOM 719 CD1 ILE A 49 -3.806 -1.061 5.700 1.00 72.22 C ATOM 0 H ILE A 49 -6.707 0.404 7.449 1.00 53.24 H new ATOM 0 HA ILE A 49 -6.132 0.146 4.631 1.00 53.31 H new ATOM 0 HB ILE A 49 -7.017 -1.852 6.756 1.00 3.34 H new ATOM 0 HG12 ILE A 49 -4.991 -0.632 7.432 1.00 52.25 H new ATOM 0 HG13 ILE A 49 -4.725 -2.341 7.151 1.00 52.25 H new ATOM 0 HG21 ILE A 49 -6.056 -3.496 5.195 1.00 74.41 H new ATOM 0 HG22 ILE A 49 -7.397 -2.596 4.446 1.00 74.41 H new ATOM 0 HG23 ILE A 49 -5.714 -2.195 4.029 1.00 74.41 H new ATOM 0 HD11 ILE A 49 -2.870 -1.007 6.256 1.00 72.22 H new ATOM 0 HD12 ILE A 49 -3.731 -1.836 4.937 1.00 72.22 H new ATOM 0 HD13 ILE A 49 -4.001 -0.100 5.223 1.00 72.22 H new ATOM 731 N SER A 50 -8.451 0.299 3.706 1.00 3.43 N ATOM 732 CA SER A 50 -9.781 0.454 3.134 1.00 12.10 C ATOM 733 C SER A 50 -9.918 -0.261 1.777 1.00 14.52 C ATOM 734 O SER A 50 -11.006 -0.270 1.197 1.00 63.35 O ATOM 735 CB SER A 50 -10.105 1.953 3.069 1.00 13.32 C ATOM 736 OG SER A 50 -11.448 2.216 3.437 1.00 52.31 O ATOM 0 H SER A 50 -7.701 0.581 3.074 1.00 3.43 H new ATOM 0 HA SER A 50 -10.518 -0.034 3.772 1.00 12.10 H new ATOM 0 HB2 SER A 50 -9.433 2.499 3.731 1.00 13.32 H new ATOM 0 HB3 SER A 50 -9.926 2.320 2.059 1.00 13.32 H new ATOM 0 HG SER A 50 -11.619 3.180 3.386 1.00 52.31 H new ATOM 742 N SER A 51 -8.869 -0.911 1.257 1.00 31.14 N ATOM 743 CA SER A 51 -9.050 -2.045 0.360 1.00 54.43 C ATOM 744 C SER A 51 -7.842 -2.974 0.406 1.00 4.32 C ATOM 745 O SER A 51 -6.753 -2.572 0.825 1.00 23.04 O ATOM 746 CB SER A 51 -9.325 -1.592 -1.080 1.00 15.41 C ATOM 747 OG SER A 51 -8.178 -1.077 -1.727 1.00 24.00 O ATOM 0 H SER A 51 -7.896 -0.669 1.444 1.00 31.14 H new ATOM 0 HA SER A 51 -9.924 -2.595 0.707 1.00 54.43 H new ATOM 0 HB2 SER A 51 -9.710 -2.436 -1.653 1.00 15.41 H new ATOM 0 HB3 SER A 51 -10.104 -0.830 -1.072 1.00 15.41 H new ATOM 0 HG SER A 51 -8.227 -1.275 -2.686 1.00 24.00 H new ATOM 753 N VAL A 52 -8.034 -4.203 -0.078 1.00 31.00 N ATOM 754 CA VAL A 52 -6.993 -5.196 -0.294 1.00 32.20 C ATOM 755 C VAL A 52 -7.369 -5.948 -1.575 1.00 73.01 C ATOM 756 O VAL A 52 -8.510 -6.398 -1.680 1.00 1.12 O ATOM 757 CB VAL A 52 -6.925 -6.171 0.907 1.00 32.32 C ATOM 758 CG1 VAL A 52 -5.686 -7.070 0.791 1.00 13.20 C ATOM 759 CG2 VAL A 52 -6.951 -5.482 2.282 1.00 51.44 C ATOM 0 H VAL A 52 -8.960 -4.542 -0.339 1.00 31.00 H new ATOM 0 HA VAL A 52 -6.013 -4.728 -0.388 1.00 32.20 H new ATOM 0 HB VAL A 52 -7.834 -6.770 0.855 1.00 32.32 H new ATOM 0 HG11 VAL A 52 -5.650 -7.751 1.641 1.00 13.20 H new ATOM 0 HG12 VAL A 52 -5.739 -7.646 -0.133 1.00 13.20 H new ATOM 0 HG13 VAL A 52 -4.788 -6.452 0.782 1.00 13.20 H new ATOM 0 HG21 VAL A 52 -6.900 -6.236 3.068 1.00 51.44 H new ATOM 0 HG22 VAL A 52 -6.098 -4.810 2.368 1.00 51.44 H new ATOM 0 HG23 VAL A 52 -7.874 -4.912 2.386 1.00 51.44 H new ATOM 769 N LYS A 53 -6.441 -6.129 -2.522 1.00 41.13 N ATOM 770 CA LYS A 53 -6.506 -7.156 -3.576 1.00 55.21 C ATOM 771 C LYS A 53 -5.364 -8.109 -3.315 1.00 14.51 C ATOM 772 O LYS A 53 -4.273 -7.637 -3.030 1.00 23.31 O ATOM 773 CB LYS A 53 -6.362 -6.540 -4.985 1.00 42.34 C ATOM 774 CG LYS A 53 -6.067 -7.530 -6.137 1.00 71.13 C ATOM 775 CD LYS A 53 -6.426 -6.996 -7.538 1.00 2.13 C ATOM 776 CE LYS A 53 -5.566 -5.832 -8.035 1.00 20.44 C ATOM 777 NZ LYS A 53 -4.203 -6.271 -8.415 1.00 52.21 N ATOM 0 H LYS A 53 -5.602 -5.552 -2.581 1.00 41.13 H new ATOM 0 HA LYS A 53 -7.473 -7.659 -3.550 1.00 55.21 H new ATOM 0 HB2 LYS A 53 -7.282 -6.005 -5.220 1.00 42.34 H new ATOM 0 HB3 LYS A 53 -5.562 -5.801 -4.955 1.00 42.34 H new ATOM 0 HG2 LYS A 53 -5.008 -7.786 -6.119 1.00 71.13 H new ATOM 0 HG3 LYS A 53 -6.621 -8.452 -5.959 1.00 71.13 H new ATOM 0 HD2 LYS A 53 -6.347 -7.815 -8.252 1.00 2.13 H new ATOM 0 HD3 LYS A 53 -7.469 -6.679 -7.531 1.00 2.13 H new ATOM 0 HE2 LYS A 53 -6.049 -5.365 -8.894 1.00 20.44 H new ATOM 0 HE3 LYS A 53 -5.498 -5.073 -7.256 1.00 20.44 H new ATOM 0 HZ1 LYS A 53 -3.531 -5.494 -8.255 1.00 52.21 H new ATOM 0 HZ2 LYS A 53 -3.928 -7.091 -7.837 1.00 52.21 H new ATOM 0 HZ3 LYS A 53 -4.192 -6.537 -9.420 1.00 52.21 H new ATOM 791 N GLU A 54 -5.579 -9.407 -3.503 1.00 52.43 N ATOM 792 CA GLU A 54 -4.517 -10.410 -3.396 1.00 63.01 C ATOM 793 C GLU A 54 -4.571 -11.439 -4.534 1.00 52.34 C ATOM 794 O GLU A 54 -3.610 -12.173 -4.772 1.00 21.13 O ATOM 795 CB GLU A 54 -4.562 -11.074 -2.013 1.00 63.11 C ATOM 796 CG GLU A 54 -5.745 -12.028 -1.778 1.00 71.35 C ATOM 797 CD GLU A 54 -5.767 -12.601 -0.356 1.00 62.02 C ATOM 798 OE1 GLU A 54 -5.258 -11.947 0.576 1.00 34.14 O ATOM 799 OE2 GLU A 54 -6.406 -13.654 -0.138 1.00 71.32 O ATOM 0 H GLU A 54 -6.493 -9.797 -3.734 1.00 52.43 H new ATOM 0 HA GLU A 54 -3.558 -9.902 -3.501 1.00 63.01 H new ATOM 0 HB2 GLU A 54 -3.635 -11.628 -1.864 1.00 63.11 H new ATOM 0 HB3 GLU A 54 -4.591 -10.292 -1.254 1.00 63.11 H new ATOM 0 HG2 GLU A 54 -6.678 -11.497 -1.966 1.00 71.35 H new ATOM 0 HG3 GLU A 54 -5.694 -12.847 -2.495 1.00 71.35 H new ATOM 806 N GLU A 55 -5.664 -11.480 -5.294 1.00 55.31 N ATOM 807 CA GLU A 55 -6.000 -12.613 -6.166 1.00 2.53 C ATOM 808 C GLU A 55 -6.856 -12.152 -7.344 1.00 3.33 C ATOM 809 O GLU A 55 -7.920 -12.685 -7.648 1.00 51.31 O ATOM 810 CB GLU A 55 -6.602 -13.747 -5.335 1.00 60.41 C ATOM 811 CG GLU A 55 -7.861 -13.376 -4.553 1.00 61.32 C ATOM 812 CD GLU A 55 -8.219 -14.372 -3.446 1.00 0.31 C ATOM 813 OE1 GLU A 55 -7.855 -15.570 -3.519 1.00 61.23 O ATOM 814 OE2 GLU A 55 -9.015 -13.982 -2.568 1.00 54.42 O ATOM 0 H GLU A 55 -6.349 -10.724 -5.325 1.00 55.31 H new ATOM 0 HA GLU A 55 -5.099 -13.025 -6.620 1.00 2.53 H new ATOM 0 HB2 GLU A 55 -6.837 -14.579 -5.999 1.00 60.41 H new ATOM 0 HB3 GLU A 55 -5.848 -14.103 -4.633 1.00 60.41 H new ATOM 0 HG2 GLU A 55 -7.725 -12.389 -4.110 1.00 61.32 H new ATOM 0 HG3 GLU A 55 -8.699 -13.301 -5.246 1.00 61.32 H new ATOM 821 N GLY A 56 -6.406 -11.059 -7.955 1.00 75.23 N ATOM 822 CA GLY A 56 -7.075 -10.401 -9.073 1.00 0.31 C ATOM 823 C GLY A 56 -8.377 -9.682 -8.686 1.00 41.43 C ATOM 824 O GLY A 56 -8.911 -8.925 -9.495 1.00 33.12 O ATOM 0 H GLY A 56 -5.542 -10.594 -7.678 1.00 75.23 H new ATOM 0 HA2 GLY A 56 -6.391 -9.678 -9.518 1.00 0.31 H new ATOM 0 HA3 GLY A 56 -7.296 -11.144 -9.839 1.00 0.31 H new ATOM 828 N LYS A 57 -8.896 -9.856 -7.467 1.00 24.31 N ATOM 829 CA LYS A 57 -10.123 -9.240 -6.962 1.00 55.23 C ATOM 830 C LYS A 57 -9.920 -8.773 -5.522 1.00 52.55 C ATOM 831 O LYS A 57 -8.916 -9.144 -4.900 1.00 35.00 O ATOM 832 CB LYS A 57 -11.297 -10.227 -7.122 1.00 74.23 C ATOM 833 CG LYS A 57 -11.153 -11.582 -6.398 1.00 31.02 C ATOM 834 CD LYS A 57 -11.743 -11.549 -4.986 1.00 12.30 C ATOM 835 CE LYS A 57 -11.235 -12.653 -4.061 1.00 74.12 C ATOM 836 NZ LYS A 57 -11.542 -14.006 -4.556 1.00 42.12 N ATOM 0 H LYS A 57 -8.450 -10.458 -6.775 1.00 24.31 H new ATOM 0 HA LYS A 57 -10.370 -8.351 -7.543 1.00 55.23 H new ATOM 0 HB2 LYS A 57 -12.204 -9.741 -6.762 1.00 74.23 H new ATOM 0 HB3 LYS A 57 -11.439 -10.420 -8.185 1.00 74.23 H new ATOM 0 HG2 LYS A 57 -11.651 -12.358 -6.980 1.00 31.02 H new ATOM 0 HG3 LYS A 57 -10.098 -11.852 -6.343 1.00 31.02 H new ATOM 0 HD2 LYS A 57 -11.519 -10.583 -4.535 1.00 12.30 H new ATOM 0 HD3 LYS A 57 -12.828 -11.623 -5.058 1.00 12.30 H new ATOM 0 HE2 LYS A 57 -10.156 -12.552 -3.942 1.00 74.12 H new ATOM 0 HE3 LYS A 57 -11.678 -12.524 -3.073 1.00 74.12 H new ATOM 0 HZ1 LYS A 57 -11.173 -14.712 -3.888 1.00 42.12 H new ATOM 0 HZ2 LYS A 57 -12.572 -14.118 -4.644 1.00 42.12 H new ATOM 0 HZ3 LYS A 57 -11.098 -14.145 -5.486 1.00 42.12 H new ATOM 850 N PHE A 58 -10.850 -7.960 -5.019 1.00 1.31 N ATOM 851 CA PHE A 58 -10.746 -7.289 -3.724 1.00 74.14 C ATOM 852 C PHE A 58 -11.327 -8.147 -2.587 1.00 12.10 C ATOM 853 O PHE A 58 -12.054 -9.112 -2.835 1.00 31.44 O ATOM 854 CB PHE A 58 -11.432 -5.910 -3.807 1.00 11.52 C ATOM 855 CG PHE A 58 -10.574 -4.763 -4.338 1.00 24.40 C ATOM 856 CD1 PHE A 58 -9.625 -4.939 -5.368 1.00 63.01 C ATOM 857 CD2 PHE A 58 -10.726 -3.483 -3.776 1.00 74.22 C ATOM 858 CE1 PHE A 58 -8.796 -3.873 -5.768 1.00 31.22 C ATOM 859 CE2 PHE A 58 -9.930 -2.410 -4.207 1.00 3.13 C ATOM 860 CZ PHE A 58 -8.946 -2.604 -5.187 1.00 71.43 C ATOM 0 H PHE A 58 -11.716 -7.745 -5.513 1.00 1.31 H new ATOM 0 HA PHE A 58 -9.692 -7.144 -3.488 1.00 74.14 H new ATOM 0 HB2 PHE A 58 -12.312 -6.003 -4.443 1.00 11.52 H new ATOM 0 HB3 PHE A 58 -11.785 -5.642 -2.811 1.00 11.52 H new ATOM 0 HD1 PHE A 58 -9.534 -5.899 -5.854 1.00 63.01 H new ATOM 0 HD2 PHE A 58 -11.464 -3.324 -3.004 1.00 74.22 H new ATOM 0 HE1 PHE A 58 -8.042 -4.033 -6.525 1.00 31.22 H new ATOM 0 HE2 PHE A 58 -10.076 -1.428 -3.781 1.00 3.13 H new ATOM 0 HZ PHE A 58 -8.310 -1.786 -5.492 1.00 71.43 H new ATOM 870 N LYS A 59 -11.029 -7.811 -1.328 1.00 21.04 N ATOM 871 CA LYS A 59 -11.620 -8.453 -0.156 1.00 41.43 C ATOM 872 C LYS A 59 -12.016 -7.449 0.915 1.00 35.34 C ATOM 873 O LYS A 59 -11.771 -6.244 0.788 1.00 71.22 O ATOM 874 CB LYS A 59 -10.718 -9.579 0.376 1.00 71.04 C ATOM 875 CG LYS A 59 -9.467 -9.097 1.126 1.00 42.44 C ATOM 876 CD LYS A 59 -8.979 -10.174 2.105 1.00 2.14 C ATOM 877 CE LYS A 59 -8.145 -11.170 1.305 1.00 62.24 C ATOM 878 NZ LYS A 59 -7.901 -12.474 1.954 1.00 23.02 N ATOM 0 H LYS A 59 -10.362 -7.076 -1.094 1.00 21.04 H new ATOM 0 HA LYS A 59 -12.552 -8.922 -0.473 1.00 41.43 H new ATOM 0 HB2 LYS A 59 -11.304 -10.211 1.043 1.00 71.04 H new ATOM 0 HB3 LYS A 59 -10.405 -10.203 -0.462 1.00 71.04 H new ATOM 0 HG2 LYS A 59 -8.677 -8.860 0.413 1.00 42.44 H new ATOM 0 HG3 LYS A 59 -9.692 -8.179 1.669 1.00 42.44 H new ATOM 0 HD2 LYS A 59 -8.384 -9.728 2.902 1.00 2.14 H new ATOM 0 HD3 LYS A 59 -9.824 -10.674 2.579 1.00 2.14 H new ATOM 0 HE2 LYS A 59 -8.642 -11.348 0.352 1.00 62.24 H new ATOM 0 HE3 LYS A 59 -7.182 -10.711 1.081 1.00 62.24 H new ATOM 0 HZ1 LYS A 59 -7.540 -13.150 1.251 1.00 23.02 H new ATOM 0 HZ2 LYS A 59 -7.201 -12.358 2.714 1.00 23.02 H new ATOM 0 HZ3 LYS A 59 -8.791 -12.834 2.355 1.00 23.02 H new ATOM 892 N GLU A 60 -12.595 -7.993 1.981 1.00 1.43 N ATOM 893 CA GLU A 60 -12.943 -7.270 3.191 1.00 15.44 C ATOM 894 C GLU A 60 -11.712 -7.276 4.088 1.00 55.11 C ATOM 895 O GLU A 60 -10.867 -8.171 3.968 1.00 20.00 O ATOM 896 CB GLU A 60 -14.117 -7.945 3.921 1.00 61.42 C ATOM 897 CG GLU A 60 -15.447 -7.746 3.194 1.00 40.32 C ATOM 898 CD GLU A 60 -16.706 -7.906 4.061 1.00 20.03 C ATOM 899 OE1 GLU A 60 -16.721 -8.713 5.025 1.00 3.32 O ATOM 900 OE2 GLU A 60 -17.733 -7.262 3.747 1.00 2.30 O ATOM 0 H GLU A 60 -12.841 -8.982 2.024 1.00 1.43 H new ATOM 0 HA GLU A 60 -13.251 -6.254 2.943 1.00 15.44 H new ATOM 0 HB2 GLU A 60 -13.915 -9.012 4.019 1.00 61.42 H new ATOM 0 HB3 GLU A 60 -14.194 -7.541 4.931 1.00 61.42 H new ATOM 0 HG2 GLU A 60 -15.455 -6.749 2.754 1.00 40.32 H new ATOM 0 HG3 GLU A 60 -15.501 -8.458 2.371 1.00 40.32 H new ATOM 907 N ASN A 61 -11.626 -6.339 5.032 1.00 62.15 N ATOM 908 CA ASN A 61 -10.519 -6.276 5.963 1.00 64.42 C ATOM 909 C ASN A 61 -11.035 -6.265 7.384 1.00 40.14 C ATOM 910 O ASN A 61 -12.119 -5.747 7.643 1.00 15.13 O ATOM 911 CB ASN A 61 -9.582 -5.100 5.672 1.00 13.32 C ATOM 912 CG ASN A 61 -8.217 -5.463 6.226 1.00 4.14 C ATOM 913 OD1 ASN A 61 -7.667 -6.489 5.853 1.00 24.33 O ATOM 914 ND2 ASN A 61 -7.682 -4.725 7.175 1.00 73.44 N ATOM 0 H ASN A 61 -12.324 -5.608 5.166 1.00 62.15 H new ATOM 0 HA ASN A 61 -9.913 -7.173 5.832 1.00 64.42 H new ATOM 0 HB2 ASN A 61 -9.524 -4.911 4.600 1.00 13.32 H new ATOM 0 HB3 ASN A 61 -9.955 -4.187 6.137 1.00 13.32 H new ATOM 0 HD21 ASN A 61 -6.802 -5.008 7.605 1.00 73.44 H new ATOM 0 HD22 ASN A 61 -8.148 -3.870 7.480 1.00 73.44 H new ATOM 921 N THR A 62 -10.255 -6.829 8.298 1.00 32.52 N ATOM 922 CA THR A 62 -10.703 -7.160 9.647 1.00 54.01 C ATOM 923 C THR A 62 -10.051 -6.276 10.724 1.00 63.52 C ATOM 924 O THR A 62 -10.361 -6.394 11.911 1.00 73.34 O ATOM 925 CB THR A 62 -10.638 -8.692 9.833 1.00 1.21 C ATOM 926 OG1 THR A 62 -11.269 -9.127 11.022 1.00 31.54 O ATOM 927 CG2 THR A 62 -9.205 -9.220 9.767 1.00 44.01 C ATOM 0 H THR A 62 -9.280 -7.073 8.122 1.00 32.52 H new ATOM 0 HA THR A 62 -11.752 -6.901 9.788 1.00 54.01 H new ATOM 0 HB THR A 62 -11.194 -9.112 8.995 1.00 1.21 H new ATOM 0 HG1 THR A 62 -11.214 -8.420 11.699 1.00 31.54 H new ATOM 0 HG21 THR A 62 -9.209 -10.301 9.903 1.00 44.01 H new ATOM 0 HG22 THR A 62 -8.772 -8.978 8.796 1.00 44.01 H new ATOM 0 HG23 THR A 62 -8.610 -8.758 10.555 1.00 44.01 H new ATOM 935 N SER A 63 -9.195 -5.330 10.331 1.00 55.21 N ATOM 936 CA SER A 63 -8.697 -4.286 11.223 1.00 21.10 C ATOM 937 C SER A 63 -8.520 -2.984 10.439 1.00 73.11 C ATOM 938 O SER A 63 -8.248 -3.016 9.241 1.00 73.52 O ATOM 939 CB SER A 63 -7.370 -4.744 11.842 1.00 22.44 C ATOM 940 OG SER A 63 -7.402 -6.108 12.225 1.00 15.34 O ATOM 0 H SER A 63 -8.828 -5.268 9.381 1.00 55.21 H new ATOM 0 HA SER A 63 -9.411 -4.105 12.026 1.00 21.10 H new ATOM 0 HB2 SER A 63 -6.564 -4.588 11.125 1.00 22.44 H new ATOM 0 HB3 SER A 63 -7.146 -4.129 12.713 1.00 22.44 H new ATOM 0 HG SER A 63 -6.538 -6.359 12.613 1.00 15.34 H new ATOM 946 N TYR A 64 -8.515 -1.833 11.111 1.00 64.12 N ATOM 947 CA TYR A 64 -8.363 -0.533 10.452 1.00 53.23 C ATOM 948 C TYR A 64 -6.916 -0.058 10.576 1.00 14.22 C ATOM 949 O TYR A 64 -6.647 1.136 10.672 1.00 2.34 O ATOM 950 CB TYR A 64 -9.410 0.452 11.000 1.00 62.53 C ATOM 951 CG TYR A 64 -10.833 0.023 10.692 1.00 53.24 C ATOM 952 CD1 TYR A 64 -11.217 -0.225 9.361 1.00 72.23 C ATOM 953 CD2 TYR A 64 -11.768 -0.164 11.726 1.00 11.12 C ATOM 954 CE1 TYR A 64 -12.499 -0.716 9.078 1.00 31.22 C ATOM 955 CE2 TYR A 64 -13.059 -0.647 11.450 1.00 41.14 C ATOM 956 CZ TYR A 64 -13.422 -0.948 10.120 1.00 31.40 C ATOM 957 OH TYR A 64 -14.645 -1.460 9.828 1.00 15.11 O ATOM 0 H TYR A 64 -8.616 -1.774 12.124 1.00 64.12 H new ATOM 0 HA TYR A 64 -8.559 -0.610 9.383 1.00 53.23 H new ATOM 0 HB2 TYR A 64 -9.288 0.543 12.079 1.00 62.53 H new ATOM 0 HB3 TYR A 64 -9.232 1.440 10.574 1.00 62.53 H new ATOM 0 HD1 TYR A 64 -10.522 -0.037 8.556 1.00 72.23 H new ATOM 0 HD2 TYR A 64 -11.491 0.066 12.744 1.00 11.12 H new ATOM 0 HE1 TYR A 64 -12.782 -0.918 8.056 1.00 31.22 H new ATOM 0 HE2 TYR A 64 -13.769 -0.787 12.252 1.00 41.14 H new ATOM 0 HH TYR A 64 -15.163 -1.562 10.654 1.00 15.11 H new ATOM 967 N LYS A 65 -5.972 -1.002 10.597 1.00 41.14 N ATOM 968 CA LYS A 65 -4.551 -0.749 10.824 1.00 42.43 C ATOM 969 C LYS A 65 -3.636 -1.898 10.395 1.00 22.50 C ATOM 970 O LYS A 65 -2.422 -1.718 10.380 1.00 71.15 O ATOM 971 CB LYS A 65 -4.316 -0.426 12.312 1.00 1.32 C ATOM 972 CG LYS A 65 -4.959 -1.416 13.295 1.00 22.20 C ATOM 973 CD LYS A 65 -4.312 -1.270 14.675 1.00 71.55 C ATOM 974 CE LYS A 65 -5.146 -1.995 15.731 1.00 15.20 C ATOM 975 NZ LYS A 65 -4.411 -2.064 17.002 1.00 61.42 N ATOM 0 H LYS A 65 -6.183 -1.989 10.452 1.00 41.14 H new ATOM 0 HA LYS A 65 -4.287 0.100 10.194 1.00 42.43 H new ATOM 0 HB2 LYS A 65 -3.242 -0.397 12.498 1.00 1.32 H new ATOM 0 HB3 LYS A 65 -4.703 0.572 12.518 1.00 1.32 H new ATOM 0 HG2 LYS A 65 -6.031 -1.230 13.364 1.00 22.20 H new ATOM 0 HG3 LYS A 65 -4.835 -2.436 12.931 1.00 22.20 H new ATOM 0 HD2 LYS A 65 -3.302 -1.679 14.656 1.00 71.55 H new ATOM 0 HD3 LYS A 65 -4.224 -0.215 14.933 1.00 71.55 H new ATOM 0 HE2 LYS A 65 -6.092 -1.474 15.878 1.00 15.20 H new ATOM 0 HE3 LYS A 65 -5.386 -3.001 15.387 1.00 15.20 H new ATOM 0 HZ1 LYS A 65 -4.989 -2.559 17.711 1.00 61.42 H new ATOM 0 HZ2 LYS A 65 -3.520 -2.581 16.860 1.00 61.42 H new ATOM 0 HZ3 LYS A 65 -4.204 -1.101 17.336 1.00 61.42 H new ATOM 989 N GLU A 66 -4.167 -3.077 10.074 1.00 31.30 N ATOM 990 CA GLU A 66 -3.370 -4.276 9.849 1.00 51.35 C ATOM 991 C GLU A 66 -4.030 -5.116 8.773 1.00 32.42 C ATOM 992 O GLU A 66 -5.219 -4.946 8.487 1.00 61.42 O ATOM 993 CB GLU A 66 -3.292 -5.107 11.140 1.00 2.01 C ATOM 994 CG GLU A 66 -2.007 -4.870 11.921 1.00 0.12 C ATOM 995 CD GLU A 66 -2.037 -5.621 13.256 1.00 11.33 C ATOM 996 OE1 GLU A 66 -2.959 -5.384 14.076 1.00 34.20 O ATOM 997 OE2 GLU A 66 -1.155 -6.487 13.459 1.00 73.15 O ATOM 0 H GLU A 66 -5.170 -3.225 9.963 1.00 31.30 H new ATOM 0 HA GLU A 66 -2.366 -3.983 9.542 1.00 51.35 H new ATOM 0 HB2 GLU A 66 -4.146 -4.866 11.773 1.00 2.01 H new ATOM 0 HB3 GLU A 66 -3.369 -6.165 10.890 1.00 2.01 H new ATOM 0 HG2 GLU A 66 -1.152 -5.200 11.332 1.00 0.12 H new ATOM 0 HG3 GLU A 66 -1.877 -3.803 12.101 1.00 0.12 H new ATOM 1004 N PHE A 67 -3.259 -6.059 8.244 1.00 64.13 N ATOM 1005 CA PHE A 67 -3.733 -7.224 7.506 1.00 61.43 C ATOM 1006 C PHE A 67 -2.599 -8.245 7.440 1.00 1.31 C ATOM 1007 O PHE A 67 -1.425 -7.873 7.365 1.00 60.13 O ATOM 1008 CB PHE A 67 -4.160 -6.832 6.081 1.00 53.43 C ATOM 1009 CG PHE A 67 -4.526 -7.995 5.169 1.00 33.30 C ATOM 1010 CD1 PHE A 67 -5.693 -8.753 5.401 1.00 2.43 C ATOM 1011 CD2 PHE A 67 -3.692 -8.326 4.083 1.00 52.31 C ATOM 1012 CE1 PHE A 67 -6.050 -9.799 4.527 1.00 3.04 C ATOM 1013 CE2 PHE A 67 -4.041 -9.378 3.219 1.00 11.32 C ATOM 1014 CZ PHE A 67 -5.219 -10.109 3.440 1.00 4.20 C ATOM 0 H PHE A 67 -2.242 -6.031 8.321 1.00 64.13 H new ATOM 0 HA PHE A 67 -4.600 -7.647 8.014 1.00 61.43 H new ATOM 0 HB2 PHE A 67 -5.016 -6.160 6.148 1.00 53.43 H new ATOM 0 HB3 PHE A 67 -3.349 -6.270 5.618 1.00 53.43 H new ATOM 0 HD1 PHE A 67 -6.317 -8.530 6.254 1.00 2.43 H new ATOM 0 HD2 PHE A 67 -2.782 -7.770 3.914 1.00 52.31 H new ATOM 0 HE1 PHE A 67 -6.958 -10.359 4.693 1.00 3.04 H new ATOM 0 HE2 PHE A 67 -3.402 -9.624 2.384 1.00 11.32 H new ATOM 0 HZ PHE A 67 -5.487 -10.913 2.771 1.00 4.20 H new ATOM 1024 N ASP A 68 -2.951 -9.523 7.383 1.00 23.34 N ATOM 1025 CA ASP A 68 -2.061 -10.638 7.135 1.00 22.32 C ATOM 1026 C ASP A 68 -2.708 -11.524 6.081 1.00 75.35 C ATOM 1027 O ASP A 68 -3.771 -12.099 6.310 1.00 33.20 O ATOM 1028 CB ASP A 68 -1.800 -11.373 8.451 1.00 11.23 C ATOM 1029 CG ASP A 68 -1.579 -12.879 8.284 1.00 43.41 C ATOM 1030 OD1 ASP A 68 -0.725 -13.298 7.474 1.00 74.53 O ATOM 1031 OD2 ASP A 68 -2.265 -13.645 9.001 1.00 1.04 O ATOM 0 H ASP A 68 -3.918 -9.820 7.516 1.00 23.34 H new ATOM 0 HA ASP A 68 -1.092 -10.312 6.757 1.00 22.32 H new ATOM 0 HB2 ASP A 68 -0.924 -10.938 8.932 1.00 11.23 H new ATOM 0 HB3 ASP A 68 -2.645 -11.211 9.121 1.00 11.23 H new ATOM 1036 N GLY A 69 -2.086 -11.603 4.908 1.00 0.22 N ATOM 1037 CA GLY A 69 -2.509 -12.430 3.787 1.00 40.45 C ATOM 1038 C GLY A 69 -1.731 -13.744 3.694 1.00 73.41 C ATOM 1039 O GLY A 69 -1.746 -14.386 2.640 1.00 14.03 O ATOM 0 H GLY A 69 -1.240 -11.070 4.707 1.00 0.22 H new ATOM 0 HA2 GLY A 69 -3.572 -12.649 3.883 1.00 40.45 H new ATOM 0 HA3 GLY A 69 -2.381 -11.871 2.860 1.00 40.45 H new ATOM 1043 N GLY A 70 -0.980 -14.129 4.729 1.00 75.11 N ATOM 1044 CA GLY A 70 -0.136 -15.317 4.750 1.00 11.12 C ATOM 1045 C GLY A 70 1.187 -15.106 4.017 1.00 61.15 C ATOM 1046 O GLY A 70 2.230 -15.544 4.500 1.00 73.24 O ATOM 0 H GLY A 70 -0.945 -13.602 5.602 1.00 75.11 H new ATOM 0 HA2 GLY A 70 0.066 -15.598 5.784 1.00 11.12 H new ATOM 0 HA3 GLY A 70 -0.673 -16.148 4.293 1.00 11.12 H new ATOM 1050 N TRP A 71 1.188 -14.387 2.888 1.00 0.20 N ATOM 1051 CA TRP A 71 2.393 -14.059 2.124 1.00 35.32 C ATOM 1052 C TRP A 71 2.681 -12.553 2.054 1.00 12.21 C ATOM 1053 O TRP A 71 3.644 -12.128 1.414 1.00 44.21 O ATOM 1054 CB TRP A 71 2.356 -14.749 0.755 1.00 22.11 C ATOM 1055 CG TRP A 71 1.324 -14.340 -0.259 1.00 74.43 C ATOM 1056 CD1 TRP A 71 0.107 -14.906 -0.400 1.00 60.33 C ATOM 1057 CD2 TRP A 71 1.447 -13.406 -1.374 1.00 55.33 C ATOM 1058 NE1 TRP A 71 -0.502 -14.446 -1.557 1.00 13.21 N ATOM 1059 CE2 TRP A 71 0.305 -13.543 -2.222 1.00 21.21 C ATOM 1060 CE3 TRP A 71 2.427 -12.478 -1.775 1.00 3.30 C ATOM 1061 CZ2 TRP A 71 0.184 -12.835 -3.432 1.00 42.33 C ATOM 1062 CZ3 TRP A 71 2.313 -11.758 -2.976 1.00 64.22 C ATOM 1063 CH2 TRP A 71 1.210 -11.955 -3.818 1.00 20.30 C ATOM 0 H TRP A 71 0.335 -14.011 2.474 1.00 0.20 H new ATOM 0 HA TRP A 71 3.251 -14.458 2.665 1.00 35.32 H new ATOM 0 HB2 TRP A 71 3.335 -14.613 0.296 1.00 22.11 H new ATOM 0 HB3 TRP A 71 2.232 -15.817 0.932 1.00 22.11 H new ATOM 0 HD1 TRP A 71 -0.329 -15.614 0.289 1.00 60.33 H new ATOM 0 HE1 TRP A 71 -1.426 -14.736 -1.876 1.00 13.21 H new ATOM 0 HE3 TRP A 71 3.288 -12.316 -1.144 1.00 3.30 H new ATOM 0 HZ2 TRP A 71 -0.687 -12.966 -4.057 1.00 42.33 H new ATOM 0 HZ3 TRP A 71 3.079 -11.049 -3.252 1.00 64.22 H new ATOM 0 HH2 TRP A 71 1.148 -11.432 -4.761 1.00 20.30 H new ATOM 1074 N TYR A 72 1.858 -11.733 2.710 1.00 34.22 N ATOM 1075 CA TYR A 72 1.878 -10.280 2.621 1.00 71.31 C ATOM 1076 C TYR A 72 1.367 -9.726 3.945 1.00 55.21 C ATOM 1077 O TYR A 72 0.368 -10.236 4.456 1.00 14.43 O ATOM 1078 CB TYR A 72 0.952 -9.878 1.472 1.00 53.41 C ATOM 1079 CG TYR A 72 0.911 -8.399 1.174 1.00 52.33 C ATOM 1080 CD1 TYR A 72 1.843 -7.865 0.269 1.00 0.10 C ATOM 1081 CD2 TYR A 72 -0.069 -7.572 1.757 1.00 61.35 C ATOM 1082 CE1 TYR A 72 1.823 -6.496 -0.033 1.00 72.23 C ATOM 1083 CE2 TYR A 72 -0.105 -6.205 1.436 1.00 64.44 C ATOM 1084 CZ TYR A 72 0.863 -5.660 0.570 1.00 24.21 C ATOM 1085 OH TYR A 72 0.861 -4.327 0.303 1.00 15.32 O ATOM 0 H TYR A 72 1.134 -12.080 3.340 1.00 34.22 H new ATOM 0 HA TYR A 72 2.879 -9.891 2.433 1.00 71.31 H new ATOM 0 HB2 TYR A 72 1.265 -10.406 0.571 1.00 53.41 H new ATOM 0 HB3 TYR A 72 -0.058 -10.215 1.705 1.00 53.41 H new ATOM 0 HD1 TYR A 72 2.575 -8.509 -0.194 1.00 0.10 H new ATOM 0 HD2 TYR A 72 -0.789 -7.987 2.447 1.00 61.35 H new ATOM 0 HE1 TYR A 72 2.542 -6.084 -0.726 1.00 72.23 H new ATOM 0 HE2 TYR A 72 -0.874 -5.572 1.853 1.00 64.44 H new ATOM 0 HH TYR A 72 1.162 -4.177 -0.618 1.00 15.32 H new ATOM 1095 N LEU A 73 2.036 -8.720 4.515 1.00 13.21 N ATOM 1096 CA LEU A 73 1.835 -8.292 5.900 1.00 32.44 C ATOM 1097 C LEU A 73 1.774 -6.759 5.942 1.00 15.22 C ATOM 1098 O LEU A 73 2.734 -6.082 5.554 1.00 13.11 O ATOM 1099 CB LEU A 73 2.973 -8.889 6.773 1.00 55.42 C ATOM 1100 CG LEU A 73 2.555 -9.904 7.865 1.00 0.20 C ATOM 1101 CD1 LEU A 73 1.663 -9.347 8.981 1.00 31.23 C ATOM 1102 CD2 LEU A 73 1.908 -11.149 7.251 1.00 51.04 C ATOM 0 H LEU A 73 2.741 -8.174 4.020 1.00 13.21 H new ATOM 0 HA LEU A 73 0.892 -8.658 6.306 1.00 32.44 H new ATOM 0 HB2 LEU A 73 3.688 -9.377 6.111 1.00 55.42 H new ATOM 0 HB3 LEU A 73 3.497 -8.065 7.257 1.00 55.42 H new ATOM 0 HG LEU A 73 3.495 -10.168 8.350 1.00 0.20 H new ATOM 0 HD11 LEU A 73 1.430 -10.141 9.691 1.00 31.23 H new ATOM 0 HD12 LEU A 73 2.185 -8.541 9.496 1.00 31.23 H new ATOM 0 HD13 LEU A 73 0.738 -8.963 8.550 1.00 31.23 H new ATOM 0 HD21 LEU A 73 1.626 -11.841 8.044 1.00 51.04 H new ATOM 0 HD22 LEU A 73 1.020 -10.858 6.690 1.00 51.04 H new ATOM 0 HD23 LEU A 73 2.617 -11.635 6.581 1.00 51.04 H new ATOM 1114 N VAL A 74 0.648 -6.211 6.416 1.00 51.42 N ATOM 1115 CA VAL A 74 0.403 -4.778 6.563 1.00 3.01 C ATOM 1116 C VAL A 74 0.342 -4.435 8.039 1.00 33.31 C ATOM 1117 O VAL A 74 -0.227 -5.191 8.831 1.00 11.40 O ATOM 1118 CB VAL A 74 -0.901 -4.324 5.870 1.00 62.34 C ATOM 1119 CG1 VAL A 74 -1.065 -2.806 5.994 1.00 1.10 C ATOM 1120 CG2 VAL A 74 -0.921 -4.796 4.415 1.00 34.42 C ATOM 0 H VAL A 74 -0.144 -6.778 6.718 1.00 51.42 H new ATOM 0 HA VAL A 74 1.224 -4.250 6.077 1.00 3.01 H new ATOM 0 HB VAL A 74 -1.755 -4.783 6.368 1.00 62.34 H new ATOM 0 HG11 VAL A 74 -1.988 -2.498 5.502 1.00 1.10 H new ATOM 0 HG12 VAL A 74 -1.106 -2.529 7.048 1.00 1.10 H new ATOM 0 HG13 VAL A 74 -0.218 -2.309 5.521 1.00 1.10 H new ATOM 0 HG21 VAL A 74 -1.846 -4.469 3.939 1.00 34.42 H new ATOM 0 HG22 VAL A 74 -0.069 -4.372 3.883 1.00 34.42 H new ATOM 0 HG23 VAL A 74 -0.862 -5.884 4.385 1.00 34.42 H new ATOM 1130 N LYS A 75 0.926 -3.294 8.399 1.00 75.25 N ATOM 1131 CA LYS A 75 0.753 -2.599 9.662 1.00 72.44 C ATOM 1132 C LYS A 75 0.753 -1.108 9.353 1.00 3.03 C ATOM 1133 O LYS A 75 1.448 -0.685 8.422 1.00 43.21 O ATOM 1134 CB LYS A 75 1.935 -2.892 10.585 1.00 43.03 C ATOM 1135 CG LYS A 75 1.944 -4.259 11.254 1.00 2.21 C ATOM 1136 CD LYS A 75 3.383 -4.628 11.680 1.00 55.42 C ATOM 1137 CE LYS A 75 4.332 -4.995 10.513 1.00 24.30 C ATOM 1138 NZ LYS A 75 4.963 -6.316 10.711 1.00 35.11 N ATOM 0 H LYS A 75 1.570 -2.805 7.776 1.00 75.25 H new ATOM 0 HA LYS A 75 -0.170 -2.918 10.147 1.00 72.44 H new ATOM 0 HB2 LYS A 75 2.854 -2.787 10.008 1.00 43.03 H new ATOM 0 HB3 LYS A 75 1.959 -2.130 11.364 1.00 43.03 H new ATOM 0 HG2 LYS A 75 1.289 -4.251 12.125 1.00 2.21 H new ATOM 0 HG3 LYS A 75 1.554 -5.011 10.568 1.00 2.21 H new ATOM 0 HD2 LYS A 75 3.811 -3.788 12.228 1.00 55.42 H new ATOM 0 HD3 LYS A 75 3.338 -5.470 12.371 1.00 55.42 H new ATOM 0 HE2 LYS A 75 3.773 -4.996 9.577 1.00 24.30 H new ATOM 0 HE3 LYS A 75 5.106 -4.233 10.421 1.00 24.30 H new ATOM 0 HZ1 LYS A 75 5.591 -6.525 9.908 1.00 35.11 H new ATOM 0 HZ2 LYS A 75 5.517 -6.308 11.591 1.00 35.11 H new ATOM 0 HZ3 LYS A 75 4.226 -7.047 10.773 1.00 35.11 H new ATOM 1152 N ILE A 76 0.046 -0.330 10.159 1.00 71.31 N ATOM 1153 CA ILE A 76 0.100 1.121 10.213 1.00 71.45 C ATOM 1154 C ILE A 76 0.422 1.451 11.665 1.00 4.10 C ATOM 1155 O ILE A 76 -0.275 0.991 12.576 1.00 12.01 O ATOM 1156 CB ILE A 76 -1.234 1.756 9.741 1.00 55.01 C ATOM 1157 CG1 ILE A 76 -1.503 1.445 8.255 1.00 21.51 C ATOM 1158 CG2 ILE A 76 -1.184 3.287 9.944 1.00 73.31 C ATOM 1159 CD1 ILE A 76 -2.942 1.716 7.810 1.00 33.22 C ATOM 0 H ILE A 76 -0.618 -0.717 10.830 1.00 71.31 H new ATOM 0 HA ILE A 76 0.854 1.531 9.541 1.00 71.45 H new ATOM 0 HB ILE A 76 -2.042 1.329 10.335 1.00 55.01 H new ATOM 0 HG12 ILE A 76 -0.826 2.040 7.642 1.00 21.51 H new ATOM 0 HG13 ILE A 76 -1.267 0.398 8.066 1.00 21.51 H new ATOM 0 HG21 ILE A 76 -2.123 3.729 9.611 1.00 73.31 H new ATOM 0 HG22 ILE A 76 -1.033 3.509 11.000 1.00 73.31 H new ATOM 0 HG23 ILE A 76 -0.361 3.704 9.364 1.00 73.31 H new ATOM 0 HD11 ILE A 76 -3.048 1.472 6.753 1.00 33.22 H new ATOM 0 HD12 ILE A 76 -3.626 1.101 8.395 1.00 33.22 H new ATOM 0 HD13 ILE A 76 -3.179 2.769 7.965 1.00 33.22 H new ATOM 1171 N GLU A 77 1.464 2.254 11.880 1.00 55.14 N ATOM 1172 CA GLU A 77 1.881 2.710 13.192 1.00 41.43 C ATOM 1173 C GLU A 77 2.233 4.189 13.117 1.00 61.40 C ATOM 1174 O GLU A 77 3.157 4.577 12.400 1.00 31.34 O ATOM 1175 CB GLU A 77 3.090 1.904 13.672 1.00 73.52 C ATOM 1176 CG GLU A 77 2.705 0.546 14.266 1.00 2.04 C ATOM 1177 CD GLU A 77 2.206 0.707 15.694 1.00 15.20 C ATOM 1178 OE1 GLU A 77 1.041 1.122 15.915 1.00 62.42 O ATOM 1179 OE2 GLU A 77 2.990 0.435 16.626 1.00 23.44 O ATOM 0 H GLU A 77 2.050 2.610 11.125 1.00 55.14 H new ATOM 0 HA GLU A 77 1.067 2.565 13.902 1.00 41.43 H new ATOM 0 HB2 GLU A 77 3.772 1.749 12.836 1.00 73.52 H new ATOM 0 HB3 GLU A 77 3.631 2.482 14.421 1.00 73.52 H new ATOM 0 HG2 GLU A 77 1.931 0.082 13.655 1.00 2.04 H new ATOM 0 HG3 GLU A 77 3.567 -0.121 14.249 1.00 2.04 H new ATOM 1186 N ASP A 78 1.514 4.993 13.898 1.00 74.54 N ATOM 1187 CA ASP A 78 1.637 6.438 14.090 1.00 51.03 C ATOM 1188 C ASP A 78 1.322 7.215 12.810 1.00 11.05 C ATOM 1189 O ASP A 78 0.323 7.936 12.763 1.00 35.22 O ATOM 1190 CB ASP A 78 2.991 6.819 14.731 1.00 13.03 C ATOM 1191 CG ASP A 78 2.805 7.610 16.030 1.00 23.15 C ATOM 1192 OD1 ASP A 78 2.000 7.202 16.901 1.00 24.53 O ATOM 1193 OD2 ASP A 78 3.485 8.642 16.221 1.00 21.21 O ATOM 0 H ASP A 78 0.758 4.613 14.467 1.00 74.54 H new ATOM 0 HA ASP A 78 0.876 6.741 14.809 1.00 51.03 H new ATOM 0 HB2 ASP A 78 3.563 5.914 14.936 1.00 13.03 H new ATOM 0 HB3 ASP A 78 3.573 7.412 14.025 1.00 13.03 H new ATOM 1198 N ASN A 79 2.164 7.069 11.783 1.00 20.54 N ATOM 1199 CA ASN A 79 2.006 7.610 10.434 1.00 44.32 C ATOM 1200 C ASN A 79 2.869 6.892 9.385 1.00 55.10 C ATOM 1201 O ASN A 79 2.927 7.346 8.238 1.00 52.43 O ATOM 1202 CB ASN A 79 2.342 9.105 10.421 1.00 0.42 C ATOM 1203 CG ASN A 79 3.831 9.421 10.357 1.00 3.42 C ATOM 1204 OD1 ASN A 79 4.658 8.889 11.095 1.00 1.24 O ATOM 1205 ND2 ASN A 79 4.216 10.380 9.544 1.00 51.22 N ATOM 0 H ASN A 79 3.028 6.536 11.880 1.00 20.54 H new ATOM 0 HA ASN A 79 0.963 7.448 10.162 1.00 44.32 H new ATOM 0 HB2 ASN A 79 1.849 9.567 9.566 1.00 0.42 H new ATOM 0 HB3 ASN A 79 1.925 9.565 11.317 1.00 0.42 H new ATOM 0 HD21 ASN A 79 5.192 10.675 9.530 1.00 51.22 H new ATOM 0 HD22 ASN A 79 3.539 10.828 8.927 1.00 51.22 H new ATOM 1212 N GLU A 80 3.564 5.812 9.753 1.00 61.41 N ATOM 1213 CA GLU A 80 4.417 5.050 8.852 1.00 21.55 C ATOM 1214 C GLU A 80 3.701 3.753 8.501 1.00 52.41 C ATOM 1215 O GLU A 80 3.592 2.839 9.320 1.00 13.42 O ATOM 1216 CB GLU A 80 5.810 4.808 9.452 1.00 62.51 C ATOM 1217 CG GLU A 80 6.624 6.112 9.517 1.00 1.03 C ATOM 1218 CD GLU A 80 8.138 5.904 9.573 1.00 32.52 C ATOM 1219 OE1 GLU A 80 8.603 4.883 10.136 1.00 41.44 O ATOM 1220 OE2 GLU A 80 8.876 6.778 9.060 1.00 13.01 O ATOM 0 H GLU A 80 3.546 5.441 10.703 1.00 61.41 H new ATOM 0 HA GLU A 80 4.592 5.620 7.939 1.00 21.55 H new ATOM 0 HB2 GLU A 80 5.709 4.389 10.453 1.00 62.51 H new ATOM 0 HB3 GLU A 80 6.345 4.072 8.851 1.00 62.51 H new ATOM 0 HG2 GLU A 80 6.384 6.721 8.645 1.00 1.03 H new ATOM 0 HG3 GLU A 80 6.314 6.677 10.396 1.00 1.03 H new ATOM 1227 N LEU A 81 3.178 3.705 7.278 1.00 34.23 N ATOM 1228 CA LEU A 81 2.740 2.483 6.626 1.00 71.32 C ATOM 1229 C LEU A 81 3.988 1.846 6.031 1.00 61.13 C ATOM 1230 O LEU A 81 4.858 2.533 5.496 1.00 51.30 O ATOM 1231 CB LEU A 81 1.693 2.865 5.569 1.00 44.24 C ATOM 1232 CG LEU A 81 1.035 1.757 4.725 1.00 53.03 C ATOM 1233 CD1 LEU A 81 1.799 1.468 3.437 1.00 11.42 C ATOM 1234 CD2 LEU A 81 0.766 0.449 5.466 1.00 15.23 C ATOM 0 H LEU A 81 3.046 4.537 6.703 1.00 34.23 H new ATOM 0 HA LEU A 81 2.270 1.766 7.299 1.00 71.32 H new ATOM 0 HB2 LEU A 81 0.896 3.406 6.078 1.00 44.24 H new ATOM 0 HB3 LEU A 81 2.164 3.566 4.880 1.00 44.24 H new ATOM 0 HG LEU A 81 0.061 2.180 4.481 1.00 53.03 H new ATOM 0 HD11 LEU A 81 1.291 0.679 2.882 1.00 11.42 H new ATOM 0 HD12 LEU A 81 1.841 2.371 2.828 1.00 11.42 H new ATOM 0 HD13 LEU A 81 2.812 1.146 3.679 1.00 11.42 H new ATOM 0 HD21 LEU A 81 0.302 -0.266 4.786 1.00 15.23 H new ATOM 0 HD22 LEU A 81 1.706 0.040 5.836 1.00 15.23 H new ATOM 0 HD23 LEU A 81 0.097 0.638 6.306 1.00 15.23 H new ATOM 1246 N LYS A 82 4.124 0.532 6.144 1.00 21.11 N ATOM 1247 CA LYS A 82 5.247 -0.216 5.585 1.00 63.35 C ATOM 1248 C LYS A 82 4.661 -1.490 5.024 1.00 52.05 C ATOM 1249 O LYS A 82 3.651 -1.981 5.533 1.00 0.03 O ATOM 1250 CB LYS A 82 6.339 -0.541 6.631 1.00 23.42 C ATOM 1251 CG LYS A 82 6.718 0.645 7.536 1.00 61.23 C ATOM 1252 CD LYS A 82 7.294 0.247 8.897 1.00 15.02 C ATOM 1253 CE LYS A 82 7.133 1.451 9.833 1.00 11.41 C ATOM 1254 NZ LYS A 82 7.539 1.149 11.216 1.00 44.40 N ATOM 0 H LYS A 82 3.449 -0.055 6.633 1.00 21.11 H new ATOM 0 HA LYS A 82 5.746 0.384 4.824 1.00 63.35 H new ATOM 0 HB2 LYS A 82 5.994 -1.365 7.256 1.00 23.42 H new ATOM 0 HB3 LYS A 82 7.232 -0.887 6.112 1.00 23.42 H new ATOM 0 HG2 LYS A 82 7.447 1.265 7.014 1.00 61.23 H new ATOM 0 HG3 LYS A 82 5.833 1.261 7.696 1.00 61.23 H new ATOM 0 HD2 LYS A 82 6.771 -0.622 9.296 1.00 15.02 H new ATOM 0 HD3 LYS A 82 8.344 -0.029 8.803 1.00 15.02 H new ATOM 0 HE2 LYS A 82 7.729 2.282 9.456 1.00 11.41 H new ATOM 0 HE3 LYS A 82 6.093 1.776 9.826 1.00 11.41 H new ATOM 0 HZ1 LYS A 82 7.411 1.995 11.808 1.00 44.40 H new ATOM 0 HZ2 LYS A 82 6.954 0.374 11.588 1.00 44.40 H new ATOM 0 HZ3 LYS A 82 8.539 0.865 11.230 1.00 44.40 H new ATOM 1268 N VAL A 83 5.279 -2.051 4.002 1.00 73.41 N ATOM 1269 CA VAL A 83 4.845 -3.283 3.367 1.00 24.22 C ATOM 1270 C VAL A 83 6.047 -4.204 3.468 1.00 23.43 C ATOM 1271 O VAL A 83 7.112 -3.848 2.955 1.00 75.25 O ATOM 1272 CB VAL A 83 4.439 -2.996 1.904 1.00 75.31 C ATOM 1273 CG1 VAL A 83 4.251 -4.284 1.092 1.00 52.44 C ATOM 1274 CG2 VAL A 83 3.146 -2.174 1.823 1.00 31.30 C ATOM 0 H VAL A 83 6.118 -1.653 3.579 1.00 73.41 H new ATOM 0 HA VAL A 83 3.970 -3.734 3.835 1.00 24.22 H new ATOM 0 HB VAL A 83 5.262 -2.423 1.477 1.00 75.31 H new ATOM 0 HG11 VAL A 83 3.966 -4.032 0.071 1.00 52.44 H new ATOM 0 HG12 VAL A 83 5.185 -4.846 1.080 1.00 52.44 H new ATOM 0 HG13 VAL A 83 3.468 -4.890 1.548 1.00 52.44 H new ATOM 0 HG21 VAL A 83 2.895 -1.993 0.778 1.00 31.30 H new ATOM 0 HG22 VAL A 83 2.335 -2.723 2.302 1.00 31.30 H new ATOM 0 HG23 VAL A 83 3.288 -1.221 2.332 1.00 31.30 H new ATOM 1284 N ILE A 84 5.904 -5.348 4.144 1.00 43.24 N ATOM 1285 CA ILE A 84 6.831 -6.457 3.977 1.00 75.24 C ATOM 1286 C ILE A 84 6.062 -7.601 3.313 1.00 51.02 C ATOM 1287 O ILE A 84 4.945 -7.943 3.711 1.00 22.20 O ATOM 1288 CB ILE A 84 7.501 -6.818 5.316 1.00 23.13 C ATOM 1289 CG1 ILE A 84 8.263 -5.598 5.897 1.00 33.10 C ATOM 1290 CG2 ILE A 84 8.523 -7.947 5.095 1.00 2.00 C ATOM 1291 CD1 ILE A 84 7.659 -5.071 7.198 1.00 53.11 C ATOM 0 H ILE A 84 5.153 -5.524 4.811 1.00 43.24 H new ATOM 0 HA ILE A 84 7.665 -6.197 3.326 1.00 75.24 H new ATOM 0 HB ILE A 84 6.719 -7.130 6.009 1.00 23.13 H new ATOM 0 HG12 ILE A 84 9.301 -5.878 6.074 1.00 33.10 H new ATOM 0 HG13 ILE A 84 8.270 -4.797 5.157 1.00 33.10 H new ATOM 0 HG21 ILE A 84 8.996 -8.201 6.044 1.00 2.00 H new ATOM 0 HG22 ILE A 84 8.015 -8.825 4.697 1.00 2.00 H new ATOM 0 HG23 ILE A 84 9.284 -7.616 4.388 1.00 2.00 H new ATOM 0 HD11 ILE A 84 8.240 -4.218 7.550 1.00 53.11 H new ATOM 0 HD12 ILE A 84 6.629 -4.760 7.021 1.00 53.11 H new ATOM 0 HD13 ILE A 84 7.676 -5.858 7.952 1.00 53.11 H new ATOM 1303 N ILE A 85 6.659 -8.169 2.268 1.00 44.12 N ATOM 1304 CA ILE A 85 6.147 -9.302 1.501 1.00 32.12 C ATOM 1305 C ILE A 85 7.014 -10.516 1.879 1.00 3.34 C ATOM 1306 O ILE A 85 8.045 -10.364 2.538 1.00 20.10 O ATOM 1307 CB ILE A 85 6.126 -8.931 -0.010 1.00 42.45 C ATOM 1308 CG1 ILE A 85 5.423 -7.559 -0.192 1.00 42.13 C ATOM 1309 CG2 ILE A 85 5.458 -10.024 -0.864 1.00 34.50 C ATOM 1310 CD1 ILE A 85 4.933 -7.215 -1.603 1.00 3.33 C ATOM 0 H ILE A 85 7.556 -7.836 1.916 1.00 44.12 H new ATOM 0 HA ILE A 85 5.113 -9.560 1.731 1.00 32.12 H new ATOM 0 HB ILE A 85 7.155 -8.855 -0.362 1.00 42.45 H new ATOM 0 HG12 ILE A 85 4.568 -7.524 0.483 1.00 42.13 H new ATOM 0 HG13 ILE A 85 6.114 -6.778 0.127 1.00 42.13 H new ATOM 0 HG21 ILE A 85 5.466 -9.723 -1.912 1.00 34.50 H new ATOM 0 HG22 ILE A 85 6.006 -10.959 -0.751 1.00 34.50 H new ATOM 0 HG23 ILE A 85 4.429 -10.165 -0.534 1.00 34.50 H new ATOM 0 HD11 ILE A 85 4.461 -6.232 -1.595 1.00 3.33 H new ATOM 0 HD12 ILE A 85 5.779 -7.206 -2.290 1.00 3.33 H new ATOM 0 HD13 ILE A 85 4.209 -7.962 -1.929 1.00 3.33 H new ATOM 1322 N ASN A 86 6.573 -11.731 1.555 1.00 32.21 N ATOM 1323 CA ASN A 86 7.328 -12.966 1.793 1.00 52.14 C ATOM 1324 C ASN A 86 7.751 -13.578 0.460 1.00 3.04 C ATOM 1325 O ASN A 86 7.307 -13.155 -0.612 1.00 40.02 O ATOM 1326 CB ASN A 86 6.455 -13.971 2.558 1.00 21.50 C ATOM 1327 CG ASN A 86 6.343 -13.691 4.047 1.00 34.13 C ATOM 1328 OD1 ASN A 86 6.213 -12.453 4.478 1.00 44.05 O flip ATOM 1329 ND2 ASN A 86 6.358 -14.612 4.853 1.00 13.32 N flip ATOM 0 H ASN A 86 5.668 -11.890 1.113 1.00 32.21 H new ATOM 0 HA ASN A 86 8.214 -12.731 2.383 1.00 52.14 H new ATOM 0 HB2 ASN A 86 5.455 -13.971 2.124 1.00 21.50 H new ATOM 0 HB3 ASN A 86 6.864 -14.971 2.418 1.00 21.50 H new ATOM 0 HD21 ASN A 86 6.458 -15.573 4.527 1.00 13.32 H new ATOM 0 HD22 ASN A 86 6.270 -14.418 5.851 1.00 13.32 H new ATOM 1336 N ARG A 87 8.577 -14.621 0.520 1.00 13.11 N ATOM 1337 CA ARG A 87 9.025 -15.326 -0.667 1.00 21.43 C ATOM 1338 C ARG A 87 7.863 -16.066 -1.297 1.00 31.30 C ATOM 1339 O ARG A 87 7.240 -16.900 -0.638 1.00 12.04 O ATOM 1340 CB ARG A 87 10.218 -16.233 -0.348 1.00 32.24 C ATOM 1341 CG ARG A 87 10.591 -17.081 -1.574 1.00 21.20 C ATOM 1342 CD ARG A 87 10.079 -18.530 -1.529 1.00 22.43 C ATOM 1343 NE ARG A 87 11.137 -19.534 -1.303 1.00 62.53 N ATOM 1344 CZ ARG A 87 10.968 -20.759 -0.781 1.00 11.00 C ATOM 1345 NH1 ARG A 87 9.830 -21.100 -0.187 1.00 0.44 N ATOM 1346 NH2 ARG A 87 11.937 -21.661 -0.822 1.00 51.45 N ATOM 0 H ARG A 87 8.950 -14.996 1.392 1.00 13.11 H new ATOM 0 HA ARG A 87 9.384 -14.608 -1.404 1.00 21.43 H new ATOM 0 HB2 ARG A 87 11.072 -15.628 -0.044 1.00 32.24 H new ATOM 0 HB3 ARG A 87 9.973 -16.884 0.491 1.00 32.24 H new ATOM 0 HG2 ARG A 87 10.196 -16.598 -2.468 1.00 21.20 H new ATOM 0 HG3 ARG A 87 11.676 -17.096 -1.673 1.00 21.20 H new ATOM 0 HD2 ARG A 87 9.335 -18.617 -0.737 1.00 22.43 H new ATOM 0 HD3 ARG A 87 9.573 -18.755 -2.468 1.00 22.43 H new ATOM 0 HE ARG A 87 12.086 -19.272 -1.569 1.00 62.53 H new ATOM 0 HH11 ARG A 87 9.067 -20.426 -0.122 1.00 0.44 H new ATOM 0 HH12 ARG A 87 9.719 -22.036 0.204 1.00 0.44 H new ATOM 0 HH21 ARG A 87 12.831 -21.430 -1.256 1.00 51.45 H new ATOM 0 HH22 ARG A 87 11.789 -22.587 -0.420 1.00 51.45 H new ATOM 1360 N ASN A 88 7.624 -15.783 -2.578 1.00 0.34 N ATOM 1361 CA ASN A 88 6.686 -16.544 -3.386 1.00 3.32 C ATOM 1362 C ASN A 88 7.289 -17.900 -3.667 1.00 4.41 C ATOM 1363 O ASN A 88 8.322 -17.983 -4.334 1.00 14.31 O ATOM 1364 CB ASN A 88 6.339 -15.842 -4.706 1.00 32.22 C ATOM 1365 CG ASN A 88 5.343 -16.638 -5.546 1.00 20.12 C ATOM 1366 OD1 ASN A 88 4.757 -17.627 -5.108 1.00 22.12 O ATOM 1367 ND2 ASN A 88 5.114 -16.193 -6.768 1.00 14.44 N ATOM 0 H ASN A 88 8.078 -15.019 -3.079 1.00 0.34 H new ATOM 0 HA ASN A 88 5.754 -16.639 -2.828 1.00 3.32 H new ATOM 0 HB2 ASN A 88 5.924 -14.857 -4.492 1.00 32.22 H new ATOM 0 HB3 ASN A 88 7.251 -15.685 -5.281 1.00 32.22 H new ATOM 0 HD21 ASN A 88 4.441 -16.671 -7.367 1.00 14.44 H new ATOM 0 HD22 ASN A 88 5.610 -15.371 -7.113 1.00 14.44 H new ATOM 1374 N GLU A 89 6.674 -18.942 -3.122 1.00 13.12 N ATOM 1375 CA GLU A 89 7.189 -20.301 -3.148 1.00 11.34 C ATOM 1376 C GLU A 89 6.561 -21.164 -4.240 1.00 33.33 C ATOM 1377 O GLU A 89 6.852 -22.362 -4.290 1.00 62.14 O ATOM 1378 CB GLU A 89 7.076 -20.891 -1.738 1.00 73.23 C ATOM 1379 CG GLU A 89 5.659 -21.205 -1.241 1.00 51.43 C ATOM 1380 CD GLU A 89 5.605 -21.383 0.282 1.00 21.40 C ATOM 1381 OE1 GLU A 89 6.500 -20.887 1.014 1.00 32.42 O ATOM 1382 OE2 GLU A 89 4.613 -21.960 0.777 1.00 60.32 O ATOM 0 H GLU A 89 5.780 -18.861 -2.638 1.00 13.12 H new ATOM 0 HA GLU A 89 8.242 -20.282 -3.428 1.00 11.34 H new ATOM 0 HB2 GLU A 89 7.661 -21.810 -1.704 1.00 73.23 H new ATOM 0 HB3 GLU A 89 7.537 -20.194 -1.038 1.00 73.23 H new ATOM 0 HG2 GLU A 89 4.986 -20.400 -1.535 1.00 51.43 H new ATOM 0 HG3 GLU A 89 5.299 -22.113 -1.724 1.00 51.43 H new ATOM 1389 N THR A 90 5.745 -20.589 -5.131 1.00 72.13 N ATOM 1390 CA THR A 90 5.280 -21.312 -6.305 1.00 24.53 C ATOM 1391 C THR A 90 5.739 -20.642 -7.590 1.00 12.20 C ATOM 1392 O THR A 90 6.172 -19.487 -7.628 1.00 41.44 O ATOM 1393 CB THR A 90 3.765 -21.561 -6.307 1.00 31.14 C ATOM 1394 OG1 THR A 90 3.041 -20.427 -6.732 1.00 72.54 O ATOM 1395 CG2 THR A 90 3.211 -22.105 -4.992 1.00 22.42 C ATOM 0 H THR A 90 5.399 -19.632 -5.057 1.00 72.13 H new ATOM 0 HA THR A 90 5.744 -22.297 -6.254 1.00 24.53 H new ATOM 0 HB THR A 90 3.620 -22.356 -7.039 1.00 31.14 H new ATOM 0 HG1 THR A 90 2.082 -20.628 -6.720 1.00 72.54 H new ATOM 0 HG21 THR A 90 2.135 -22.251 -5.083 1.00 22.42 H new ATOM 0 HG22 THR A 90 3.688 -23.058 -4.763 1.00 22.42 H new ATOM 0 HG23 THR A 90 3.414 -21.395 -4.190 1.00 22.42 H new ATOM 1403 N ASN A 91 5.584 -21.395 -8.672 1.00 35.11 N ATOM 1404 CA ASN A 91 5.900 -20.990 -10.024 1.00 43.23 C ATOM 1405 C ASN A 91 4.870 -20.044 -10.664 1.00 74.13 C ATOM 1406 O ASN A 91 5.029 -19.754 -11.846 1.00 64.05 O ATOM 1407 CB ASN A 91 6.159 -22.239 -10.883 1.00 43.42 C ATOM 1408 CG ASN A 91 4.940 -22.797 -11.597 1.00 52.15 C ATOM 1409 OD1 ASN A 91 4.956 -22.943 -12.814 1.00 14.11 O ATOM 1410 ND2 ASN A 91 3.898 -23.129 -10.856 1.00 31.03 N ATOM 0 H ASN A 91 5.218 -22.346 -8.622 1.00 35.11 H new ATOM 0 HA ASN A 91 6.808 -20.388 -9.974 1.00 43.23 H new ATOM 0 HB2 ASN A 91 6.917 -21.997 -11.628 1.00 43.42 H new ATOM 0 HB3 ASN A 91 6.575 -23.019 -10.245 1.00 43.42 H new ATOM 0 HD21 ASN A 91 3.066 -23.523 -11.294 1.00 31.03 H new ATOM 0 HD22 ASN A 91 3.926 -22.991 -9.846 1.00 31.03 H new ATOM 1417 N ALA A 92 3.874 -19.519 -9.935 1.00 41.34 N ATOM 1418 CA ALA A 92 2.888 -18.580 -10.480 1.00 44.15 C ATOM 1419 C ALA A 92 3.065 -17.183 -9.878 1.00 13.13 C ATOM 1420 O ALA A 92 3.133 -17.037 -8.651 1.00 22.10 O ATOM 1421 CB ALA A 92 1.469 -19.089 -10.226 1.00 62.02 C ATOM 0 H ALA A 92 3.731 -19.736 -8.949 1.00 41.34 H new ATOM 0 HA ALA A 92 3.050 -18.510 -11.556 1.00 44.15 H new ATOM 0 HB1 ALA A 92 0.749 -18.381 -10.637 1.00 62.02 H new ATOM 0 HB2 ALA A 92 1.339 -20.058 -10.707 1.00 62.02 H new ATOM 0 HB3 ALA A 92 1.306 -19.191 -9.153 1.00 62.02 H new ATOM 1427 N SER A 93 3.133 -16.157 -10.731 1.00 71.03 N ATOM 1428 CA SER A 93 3.093 -14.759 -10.373 1.00 51.51 C ATOM 1429 C SER A 93 1.740 -14.360 -9.803 1.00 0.53 C ATOM 1430 O SER A 93 0.782 -15.134 -9.831 1.00 33.30 O ATOM 1431 CB SER A 93 3.484 -13.945 -11.607 1.00 23.03 C ATOM 1432 OG SER A 93 2.389 -13.509 -12.398 1.00 42.55 O ATOM 0 H SER A 93 3.222 -16.299 -11.737 1.00 71.03 H new ATOM 0 HA SER A 93 3.805 -14.555 -9.573 1.00 51.51 H new ATOM 0 HB2 SER A 93 4.053 -13.073 -11.285 1.00 23.03 H new ATOM 0 HB3 SER A 93 4.147 -14.547 -12.228 1.00 23.03 H new ATOM 0 HG SER A 93 2.722 -12.996 -13.164 1.00 42.55 H new ATOM 1438 N ARG A 94 1.674 -13.151 -9.253 1.00 14.11 N ATOM 1439 CA ARG A 94 0.566 -12.706 -8.412 1.00 21.12 C ATOM 1440 C ARG A 94 0.712 -11.210 -8.170 1.00 40.54 C ATOM 1441 O ARG A 94 1.839 -10.718 -8.141 1.00 74.33 O ATOM 1442 CB ARG A 94 0.568 -13.519 -7.094 1.00 33.12 C ATOM 1443 CG ARG A 94 1.965 -13.976 -6.584 1.00 24.02 C ATOM 1444 CD ARG A 94 2.013 -14.852 -5.325 1.00 52.44 C ATOM 1445 NE ARG A 94 0.750 -15.527 -4.997 1.00 71.21 N ATOM 1446 CZ ARG A 94 0.170 -16.547 -5.640 1.00 64.41 C ATOM 1447 NH1 ARG A 94 0.711 -17.107 -6.723 1.00 72.15 N ATOM 1448 NH2 ARG A 94 -1.006 -16.968 -5.191 1.00 42.42 N ATOM 0 H ARG A 94 2.398 -12.443 -9.380 1.00 14.11 H new ATOM 0 HA ARG A 94 -0.394 -12.878 -8.899 1.00 21.12 H new ATOM 0 HB2 ARG A 94 0.097 -12.917 -6.317 1.00 33.12 H new ATOM 0 HB3 ARG A 94 -0.054 -14.403 -7.233 1.00 33.12 H new ATOM 0 HG2 ARG A 94 2.455 -14.521 -7.391 1.00 24.02 H new ATOM 0 HG3 ARG A 94 2.561 -13.083 -6.395 1.00 24.02 H new ATOM 0 HD2 ARG A 94 2.789 -15.606 -5.453 1.00 52.44 H new ATOM 0 HD3 ARG A 94 2.308 -14.232 -4.479 1.00 52.44 H new ATOM 0 HE ARG A 94 0.254 -15.175 -4.178 1.00 71.21 H new ATOM 0 HH11 ARG A 94 1.597 -16.759 -7.088 1.00 72.15 H new ATOM 0 HH12 ARG A 94 0.238 -17.883 -7.186 1.00 72.15 H new ATOM 0 HH21 ARG A 94 -1.435 -16.516 -4.383 1.00 42.42 H new ATOM 0 HH22 ARG A 94 -1.481 -17.743 -5.654 1.00 42.42 H new ATOM 1462 N SER A 95 -0.388 -10.483 -7.958 1.00 53.13 N ATOM 1463 CA SER A 95 -0.304 -9.042 -7.736 1.00 75.35 C ATOM 1464 C SER A 95 -1.366 -8.503 -6.786 1.00 54.35 C ATOM 1465 O SER A 95 -2.578 -8.701 -6.965 1.00 1.23 O ATOM 1466 CB SER A 95 -0.397 -8.259 -9.045 1.00 73.43 C ATOM 1467 OG SER A 95 0.312 -8.806 -10.141 1.00 4.21 O ATOM 0 H SER A 95 -1.334 -10.864 -7.936 1.00 53.13 H new ATOM 0 HA SER A 95 0.673 -8.898 -7.275 1.00 75.35 H new ATOM 0 HB2 SER A 95 -1.448 -8.174 -9.322 1.00 73.43 H new ATOM 0 HB3 SER A 95 -0.031 -7.247 -8.868 1.00 73.43 H new ATOM 0 HG SER A 95 0.189 -8.235 -10.928 1.00 4.21 H new ATOM 1473 N PHE A 96 -0.872 -7.796 -5.784 1.00 63.43 N ATOM 1474 CA PHE A 96 -1.563 -7.290 -4.626 1.00 22.34 C ATOM 1475 C PHE A 96 -2.024 -5.852 -4.894 1.00 11.21 C ATOM 1476 O PHE A 96 -1.617 -5.209 -5.867 1.00 41.32 O ATOM 1477 CB PHE A 96 -0.554 -7.356 -3.461 1.00 3.02 C ATOM 1478 CG PHE A 96 -0.969 -8.232 -2.306 1.00 11.21 C ATOM 1479 CD1 PHE A 96 -1.936 -7.792 -1.385 1.00 61.23 C ATOM 1480 CD2 PHE A 96 -0.391 -9.504 -2.161 1.00 54.41 C ATOM 1481 CE1 PHE A 96 -2.406 -8.670 -0.394 1.00 22.10 C ATOM 1482 CE2 PHE A 96 -0.875 -10.378 -1.171 1.00 33.12 C ATOM 1483 CZ PHE A 96 -1.899 -9.976 -0.297 1.00 75.43 C ATOM 0 H PHE A 96 0.116 -7.542 -5.766 1.00 63.43 H new ATOM 0 HA PHE A 96 -2.454 -7.871 -4.387 1.00 22.34 H new ATOM 0 HB2 PHE A 96 0.400 -7.717 -3.846 1.00 3.02 H new ATOM 0 HB3 PHE A 96 -0.386 -6.346 -3.089 1.00 3.02 H new ATOM 0 HD1 PHE A 96 -2.316 -6.783 -1.439 1.00 61.23 H new ATOM 0 HD2 PHE A 96 0.420 -9.809 -2.806 1.00 54.41 H new ATOM 0 HE1 PHE A 96 -3.164 -8.337 0.300 1.00 22.10 H new ATOM 0 HE2 PHE A 96 -0.455 -11.369 -1.082 1.00 33.12 H new ATOM 0 HZ PHE A 96 -2.291 -10.662 0.439 1.00 75.43 H new ATOM 1493 N THR A 97 -2.877 -5.303 -4.041 1.00 1.51 N ATOM 1494 CA THR A 97 -3.128 -3.864 -3.955 1.00 42.52 C ATOM 1495 C THR A 97 -3.558 -3.535 -2.529 1.00 43.12 C ATOM 1496 O THR A 97 -4.205 -4.357 -1.879 1.00 15.32 O ATOM 1497 CB THR A 97 -4.205 -3.411 -4.960 1.00 21.13 C ATOM 1498 OG1 THR A 97 -3.935 -3.948 -6.241 1.00 51.45 O ATOM 1499 CG2 THR A 97 -4.275 -1.895 -5.122 1.00 42.34 C ATOM 0 H THR A 97 -3.425 -5.850 -3.377 1.00 1.51 H new ATOM 0 HA THR A 97 -2.213 -3.328 -4.208 1.00 42.52 H new ATOM 0 HB THR A 97 -5.152 -3.770 -4.557 1.00 21.13 H new ATOM 0 HG1 THR A 97 -2.975 -4.125 -6.326 1.00 51.45 H new ATOM 0 HG21 THR A 97 -5.052 -1.642 -5.843 1.00 42.34 H new ATOM 0 HG22 THR A 97 -4.508 -1.437 -4.161 1.00 42.34 H new ATOM 0 HG23 THR A 97 -3.315 -1.522 -5.478 1.00 42.34 H new ATOM 1507 N VAL A 98 -3.219 -2.331 -2.075 1.00 62.33 N ATOM 1508 CA VAL A 98 -3.670 -1.709 -0.839 1.00 41.31 C ATOM 1509 C VAL A 98 -4.181 -0.321 -1.230 1.00 74.44 C ATOM 1510 O VAL A 98 -3.510 0.364 -2.005 1.00 60.21 O ATOM 1511 CB VAL A 98 -2.510 -1.622 0.186 1.00 20.21 C ATOM 1512 CG1 VAL A 98 -2.207 -2.966 0.849 1.00 21.51 C ATOM 1513 CG2 VAL A 98 -1.190 -1.112 -0.406 1.00 31.53 C ATOM 0 H VAL A 98 -2.582 -1.728 -2.595 1.00 62.33 H new ATOM 0 HA VAL A 98 -4.456 -2.291 -0.357 1.00 41.31 H new ATOM 0 HB VAL A 98 -2.880 -0.904 0.917 1.00 20.21 H new ATOM 0 HG11 VAL A 98 -1.387 -2.846 1.557 1.00 21.51 H new ATOM 0 HG12 VAL A 98 -3.093 -3.319 1.377 1.00 21.51 H new ATOM 0 HG13 VAL A 98 -1.925 -3.692 0.087 1.00 21.51 H new ATOM 0 HG21 VAL A 98 -0.430 -1.080 0.374 1.00 31.53 H new ATOM 0 HG22 VAL A 98 -0.865 -1.782 -1.202 1.00 31.53 H new ATOM 0 HG23 VAL A 98 -1.336 -0.111 -0.811 1.00 31.53 H new ATOM 1523 N CYS A 99 -5.333 0.105 -0.714 1.00 32.20 N ATOM 1524 CA CYS A 99 -5.761 1.500 -0.745 1.00 73.22 C ATOM 1525 C CYS A 99 -5.989 1.924 0.698 1.00 75.32 C ATOM 1526 O CYS A 99 -6.544 1.151 1.493 1.00 31.32 O ATOM 1527 CB CYS A 99 -7.027 1.670 -1.595 1.00 22.41 C ATOM 1528 SG CYS A 99 -7.293 3.400 -2.075 1.00 61.05 S ATOM 0 H CYS A 99 -6.001 -0.516 -0.258 1.00 32.20 H new ATOM 0 HA CYS A 99 -5.002 2.130 -1.208 1.00 73.22 H new ATOM 0 HB2 CYS A 99 -6.949 1.053 -2.490 1.00 22.41 H new ATOM 0 HB3 CYS A 99 -7.891 1.312 -1.035 1.00 22.41 H new ATOM 0 HG CYS A 99 -6.238 4.099 -1.780 1.00 61.05 H new ATOM 1534 N VAL A 100 -5.546 3.128 1.040 1.00 22.11 N ATOM 1535 CA VAL A 100 -5.666 3.670 2.387 1.00 33.13 C ATOM 1536 C VAL A 100 -6.395 5.006 2.315 1.00 42.34 C ATOM 1537 O VAL A 100 -6.012 5.842 1.498 1.00 23.00 O ATOM 1538 CB VAL A 100 -4.277 3.788 3.055 1.00 35.53 C ATOM 1539 CG1 VAL A 100 -3.729 2.394 3.386 1.00 1.12 C ATOM 1540 CG2 VAL A 100 -3.204 4.520 2.230 1.00 43.23 C ATOM 0 H VAL A 100 -5.089 3.761 0.383 1.00 22.11 H new ATOM 0 HA VAL A 100 -6.249 2.995 3.014 1.00 33.13 H new ATOM 0 HB VAL A 100 -4.461 4.390 3.945 1.00 35.53 H new ATOM 0 HG11 VAL A 100 -2.750 2.490 3.856 1.00 1.12 H new ATOM 0 HG12 VAL A 100 -4.411 1.887 4.069 1.00 1.12 H new ATOM 0 HG13 VAL A 100 -3.635 1.813 2.469 1.00 1.12 H new ATOM 0 HG21 VAL A 100 -2.269 4.546 2.790 1.00 43.23 H new ATOM 0 HG22 VAL A 100 -3.048 3.994 1.288 1.00 43.23 H new ATOM 0 HG23 VAL A 100 -3.534 5.539 2.026 1.00 43.23 H new ATOM 1550 N GLU A 101 -7.415 5.215 3.148 1.00 32.14 N ATOM 1551 CA GLU A 101 -8.188 6.454 3.201 1.00 40.52 C ATOM 1552 C GLU A 101 -7.869 7.150 4.527 1.00 13.21 C ATOM 1553 O GLU A 101 -7.710 6.493 5.559 1.00 41.22 O ATOM 1554 CB GLU A 101 -9.691 6.148 3.013 1.00 24.14 C ATOM 1555 CG GLU A 101 -10.627 7.373 3.005 1.00 32.23 C ATOM 1556 CD GLU A 101 -11.907 7.183 3.841 1.00 61.42 C ATOM 1557 OE1 GLU A 101 -12.684 6.227 3.591 1.00 71.12 O ATOM 1558 OE2 GLU A 101 -12.165 8.048 4.709 1.00 5.41 O ATOM 0 H GLU A 101 -7.732 4.514 3.817 1.00 32.14 H new ATOM 0 HA GLU A 101 -7.919 7.131 2.390 1.00 40.52 H new ATOM 0 HB2 GLU A 101 -9.819 5.610 2.074 1.00 24.14 H new ATOM 0 HB3 GLU A 101 -10.009 5.476 3.811 1.00 24.14 H new ATOM 0 HG2 GLU A 101 -10.082 8.238 3.384 1.00 32.23 H new ATOM 0 HG3 GLU A 101 -10.907 7.598 1.976 1.00 32.23 H new ATOM 1565 N ALA A 102 -7.752 8.479 4.485 1.00 4.23 N ATOM 1566 CA ALA A 102 -7.403 9.386 5.573 1.00 73.31 C ATOM 1567 C ALA A 102 -8.522 10.407 5.825 1.00 1.34 C ATOM 1568 O ALA A 102 -8.256 11.568 6.161 1.00 1.01 O ATOM 1569 CB ALA A 102 -6.081 10.091 5.250 1.00 11.31 C ATOM 0 H ALA A 102 -7.913 8.987 3.615 1.00 4.23 H new ATOM 0 HA ALA A 102 -7.281 8.805 6.487 1.00 73.31 H new ATOM 0 HB1 ALA A 102 -5.822 10.768 6.064 1.00 11.31 H new ATOM 0 HB2 ALA A 102 -5.292 9.348 5.131 1.00 11.31 H new ATOM 0 HB3 ALA A 102 -6.188 10.659 4.326 1.00 11.31 H new ATOM 1575 N GLY A 103 -9.781 10.026 5.611 1.00 23.34 N ATOM 1576 CA GLY A 103 -10.915 10.921 5.739 1.00 70.13 C ATOM 1577 C GLY A 103 -11.104 11.682 4.435 1.00 10.11 C ATOM 1578 O GLY A 103 -11.956 11.312 3.623 1.00 45.54 O ATOM 0 H GLY A 103 -10.038 9.076 5.341 1.00 23.34 H new ATOM 0 HA2 GLY A 103 -11.815 10.354 5.977 1.00 70.13 H new ATOM 0 HA3 GLY A 103 -10.752 11.619 6.560 1.00 70.13 H new ATOM 1582 N ASN A 104 -10.318 12.746 4.232 1.00 63.10 N ATOM 1583 CA ASN A 104 -10.509 13.645 3.090 1.00 3.23 C ATOM 1584 C ASN A 104 -9.755 13.177 1.840 1.00 33.31 C ATOM 1585 O ASN A 104 -9.924 13.779 0.778 1.00 11.22 O ATOM 1586 CB ASN A 104 -10.106 15.097 3.421 1.00 62.42 C ATOM 1587 CG ASN A 104 -10.874 15.683 4.594 1.00 64.33 C ATOM 1588 OD1 ASN A 104 -10.434 15.579 5.737 1.00 21.44 O ATOM 1589 ND2 ASN A 104 -12.015 16.291 4.351 1.00 30.23 N ATOM 0 H ASN A 104 -9.544 13.005 4.844 1.00 63.10 H new ATOM 0 HA ASN A 104 -11.577 13.618 2.875 1.00 3.23 H new ATOM 0 HB2 ASN A 104 -9.039 15.129 3.642 1.00 62.42 H new ATOM 0 HB3 ASN A 104 -10.268 15.721 2.542 1.00 62.42 H new ATOM 0 HD21 ASN A 104 -12.555 16.689 5.120 1.00 30.23 H new ATOM 0 HD22 ASN A 104 -12.360 16.365 3.394 1.00 30.23 H new ATOM 1596 N ALA A 105 -8.896 12.160 1.945 1.00 61.42 N ATOM 1597 CA ALA A 105 -7.972 11.743 0.897 1.00 71.13 C ATOM 1598 C ALA A 105 -7.759 10.237 0.930 1.00 65.00 C ATOM 1599 O ALA A 105 -8.046 9.611 1.950 1.00 41.43 O ATOM 1600 CB ALA A 105 -6.630 12.442 1.136 1.00 70.33 C ATOM 0 H ALA A 105 -8.825 11.590 2.788 1.00 61.42 H new ATOM 0 HA ALA A 105 -8.386 12.011 -0.075 1.00 71.13 H new ATOM 0 HB1 ALA A 105 -5.922 12.144 0.363 1.00 70.33 H new ATOM 0 HB2 ALA A 105 -6.771 13.522 1.102 1.00 70.33 H new ATOM 0 HB3 ALA A 105 -6.240 12.157 2.113 1.00 70.33 H new ATOM 1606 N PHE A 106 -7.173 9.678 -0.129 1.00 31.43 N ATOM 1607 CA PHE A 106 -6.681 8.306 -0.165 1.00 24.21 C ATOM 1608 C PHE A 106 -5.550 8.188 -1.188 1.00 24.35 C ATOM 1609 O PHE A 106 -5.352 9.071 -2.033 1.00 34.24 O ATOM 1610 CB PHE A 106 -7.820 7.313 -0.484 1.00 25.30 C ATOM 1611 CG PHE A 106 -8.604 7.634 -1.732 1.00 30.42 C ATOM 1612 CD1 PHE A 106 -9.703 8.501 -1.635 1.00 42.45 C ATOM 1613 CD2 PHE A 106 -8.235 7.086 -2.974 1.00 12.31 C ATOM 1614 CE1 PHE A 106 -10.362 8.914 -2.805 1.00 71.03 C ATOM 1615 CE2 PHE A 106 -8.928 7.463 -4.138 1.00 63.44 C ATOM 1616 CZ PHE A 106 -9.969 8.404 -4.056 1.00 74.45 C ATOM 0 H PHE A 106 -7.025 10.180 -1.004 1.00 31.43 H new ATOM 0 HA PHE A 106 -6.292 8.050 0.821 1.00 24.21 H new ATOM 0 HB2 PHE A 106 -7.395 6.314 -0.585 1.00 25.30 H new ATOM 0 HB3 PHE A 106 -8.506 7.284 0.362 1.00 25.30 H new ATOM 0 HD1 PHE A 106 -10.039 8.848 -0.669 1.00 42.45 H new ATOM 0 HD2 PHE A 106 -7.422 6.378 -3.033 1.00 12.31 H new ATOM 0 HE1 PHE A 106 -11.173 9.625 -2.744 1.00 71.03 H new ATOM 0 HE2 PHE A 106 -8.661 7.031 -5.091 1.00 63.44 H new ATOM 0 HZ PHE A 106 -10.468 8.736 -4.955 1.00 74.45 H new ATOM 1626 N ASP A 107 -4.823 7.076 -1.159 1.00 65.33 N ATOM 1627 CA ASP A 107 -3.825 6.713 -2.165 1.00 21.03 C ATOM 1628 C ASP A 107 -3.847 5.189 -2.294 1.00 4.51 C ATOM 1629 O ASP A 107 -4.123 4.494 -1.309 1.00 45.45 O ATOM 1630 CB ASP A 107 -2.443 7.262 -1.755 1.00 72.30 C ATOM 1631 CG ASP A 107 -1.425 7.378 -2.892 1.00 12.25 C ATOM 1632 OD1 ASP A 107 -1.753 7.022 -4.050 1.00 54.22 O ATOM 1633 OD2 ASP A 107 -0.321 7.912 -2.636 1.00 34.55 O ATOM 0 H ASP A 107 -4.912 6.382 -0.416 1.00 65.33 H new ATOM 0 HA ASP A 107 -4.048 7.152 -3.137 1.00 21.03 H new ATOM 0 HB2 ASP A 107 -2.579 8.247 -1.308 1.00 72.30 H new ATOM 0 HB3 ASP A 107 -2.028 6.616 -0.981 1.00 72.30 H new ATOM 1638 N GLU A 108 -3.597 4.666 -3.496 1.00 1.43 N ATOM 1639 CA GLU A 108 -3.676 3.240 -3.798 1.00 73.44 C ATOM 1640 C GLU A 108 -2.340 2.799 -4.378 1.00 43.25 C ATOM 1641 O GLU A 108 -1.754 3.500 -5.213 1.00 32.24 O ATOM 1642 CB GLU A 108 -4.844 2.929 -4.759 1.00 12.22 C ATOM 1643 CG GLU A 108 -5.065 1.412 -4.911 1.00 55.32 C ATOM 1644 CD GLU A 108 -6.305 1.036 -5.731 1.00 60.22 C ATOM 1645 OE1 GLU A 108 -6.181 0.940 -6.977 1.00 11.32 O ATOM 1646 OE2 GLU A 108 -7.381 0.800 -5.136 1.00 75.02 O ATOM 0 H GLU A 108 -3.329 5.234 -4.300 1.00 1.43 H new ATOM 0 HA GLU A 108 -3.878 2.682 -2.883 1.00 73.44 H new ATOM 0 HB2 GLU A 108 -5.756 3.395 -4.386 1.00 12.22 H new ATOM 0 HB3 GLU A 108 -4.639 3.367 -5.736 1.00 12.22 H new ATOM 0 HG2 GLU A 108 -4.185 0.974 -5.382 1.00 55.32 H new ATOM 0 HG3 GLU A 108 -5.151 0.968 -3.919 1.00 55.32 H new ATOM 1653 N PHE A 109 -1.866 1.626 -3.962 1.00 34.43 N ATOM 1654 CA PHE A 109 -0.540 1.124 -4.285 1.00 54.14 C ATOM 1655 C PHE A 109 -0.619 -0.303 -4.796 1.00 13.12 C ATOM 1656 O PHE A 109 -0.905 -1.230 -4.031 1.00 71.14 O ATOM 1657 CB PHE A 109 0.354 1.241 -3.056 1.00 2.40 C ATOM 1658 CG PHE A 109 0.396 2.647 -2.498 1.00 71.14 C ATOM 1659 CD1 PHE A 109 0.974 3.668 -3.273 1.00 54.44 C ATOM 1660 CD2 PHE A 109 -0.156 2.942 -1.235 1.00 2.12 C ATOM 1661 CE1 PHE A 109 1.077 4.962 -2.748 1.00 65.40 C ATOM 1662 CE2 PHE A 109 -0.086 4.250 -0.728 1.00 51.00 C ATOM 1663 CZ PHE A 109 0.569 5.245 -1.469 1.00 51.42 C ATOM 0 H PHE A 109 -2.408 0.988 -3.379 1.00 34.43 H new ATOM 0 HA PHE A 109 -0.104 1.723 -5.084 1.00 54.14 H new ATOM 0 HB2 PHE A 109 -0.004 0.559 -2.285 1.00 2.40 H new ATOM 0 HB3 PHE A 109 1.365 0.927 -3.316 1.00 2.40 H new ATOM 0 HD1 PHE A 109 1.337 3.455 -4.268 1.00 54.44 H new ATOM 0 HD2 PHE A 109 -0.632 2.163 -0.658 1.00 2.12 H new ATOM 0 HE1 PHE A 109 1.547 5.743 -3.327 1.00 65.40 H new ATOM 0 HE2 PHE A 109 -0.533 4.488 0.226 1.00 51.00 H new ATOM 0 HZ PHE A 109 0.684 6.235 -1.053 1.00 51.42 H new ATOM 1673 N LYS A 110 -0.385 -0.480 -6.095 1.00 64.34 N ATOM 1674 CA LYS A 110 -0.265 -1.804 -6.685 1.00 44.24 C ATOM 1675 C LYS A 110 1.084 -2.391 -6.320 1.00 24.43 C ATOM 1676 O LYS A 110 2.125 -1.763 -6.533 1.00 55.34 O ATOM 1677 CB LYS A 110 -0.448 -1.761 -8.211 1.00 14.44 C ATOM 1678 CG LYS A 110 -1.919 -1.788 -8.652 1.00 31.33 C ATOM 1679 CD LYS A 110 -2.696 -0.501 -8.340 1.00 75.15 C ATOM 1680 CE LYS A 110 -4.147 -0.546 -8.828 1.00 44.11 C ATOM 1681 NZ LYS A 110 -4.226 -0.622 -10.300 1.00 11.34 N ATOM 0 H LYS A 110 -0.275 0.286 -6.760 1.00 64.34 H new ATOM 0 HA LYS A 110 -1.057 -2.438 -6.287 1.00 44.24 H new ATOM 0 HB2 LYS A 110 0.023 -0.859 -8.600 1.00 14.44 H new ATOM 0 HB3 LYS A 110 0.072 -2.610 -8.656 1.00 14.44 H new ATOM 0 HG2 LYS A 110 -1.961 -1.973 -9.725 1.00 31.33 H new ATOM 0 HG3 LYS A 110 -2.417 -2.626 -8.165 1.00 31.33 H new ATOM 0 HD2 LYS A 110 -2.685 -0.328 -7.264 1.00 75.15 H new ATOM 0 HD3 LYS A 110 -2.188 0.345 -8.804 1.00 75.15 H new ATOM 0 HE2 LYS A 110 -4.651 -1.408 -8.392 1.00 44.11 H new ATOM 0 HE3 LYS A 110 -4.675 0.342 -8.481 1.00 44.11 H new ATOM 0 HZ1 LYS A 110 -5.213 -0.497 -10.602 1.00 11.34 H new ATOM 0 HZ2 LYS A 110 -3.639 0.128 -10.718 1.00 11.34 H new ATOM 0 HZ3 LYS A 110 -3.881 -1.550 -10.619 1.00 11.34 H new ATOM 1695 N PHE A 111 1.072 -3.632 -5.842 1.00 34.21 N ATOM 1696 CA PHE A 111 2.246 -4.465 -5.710 1.00 52.12 C ATOM 1697 C PHE A 111 2.064 -5.637 -6.678 1.00 31.12 C ATOM 1698 O PHE A 111 0.950 -6.076 -6.941 1.00 21.02 O ATOM 1699 CB PHE A 111 2.406 -4.913 -4.247 1.00 4.12 C ATOM 1700 CG PHE A 111 2.773 -3.800 -3.281 1.00 23.32 C ATOM 1701 CD1 PHE A 111 1.784 -2.969 -2.714 1.00 2.04 C ATOM 1702 CD2 PHE A 111 4.127 -3.583 -2.962 1.00 64.23 C ATOM 1703 CE1 PHE A 111 2.163 -1.872 -1.924 1.00 75.42 C ATOM 1704 CE2 PHE A 111 4.497 -2.519 -2.123 1.00 73.21 C ATOM 1705 CZ PHE A 111 3.518 -1.628 -1.653 1.00 64.55 C ATOM 0 H PHE A 111 0.217 -4.092 -5.529 1.00 34.21 H new ATOM 0 HA PHE A 111 3.163 -3.932 -5.962 1.00 52.12 H new ATOM 0 HB2 PHE A 111 1.473 -5.370 -3.917 1.00 4.12 H new ATOM 0 HB3 PHE A 111 3.174 -5.685 -4.199 1.00 4.12 H new ATOM 0 HD1 PHE A 111 0.738 -3.176 -2.887 1.00 2.04 H new ATOM 0 HD2 PHE A 111 4.885 -4.238 -3.365 1.00 64.23 H new ATOM 0 HE1 PHE A 111 1.408 -1.212 -1.523 1.00 75.42 H new ATOM 0 HE2 PHE A 111 5.531 -2.386 -1.840 1.00 73.21 H new ATOM 0 HZ PHE A 111 3.808 -0.757 -1.084 1.00 64.55 H new ATOM 1715 N VAL A 112 3.147 -6.160 -7.222 1.00 64.23 N ATOM 1716 CA VAL A 112 3.190 -7.303 -8.118 1.00 75.05 C ATOM 1717 C VAL A 112 4.429 -8.102 -7.736 1.00 11.13 C ATOM 1718 O VAL A 112 5.506 -7.513 -7.611 1.00 0.30 O ATOM 1719 CB VAL A 112 3.150 -6.840 -9.589 1.00 55.52 C ATOM 1720 CG1 VAL A 112 4.068 -5.661 -9.928 1.00 41.53 C ATOM 1721 CG2 VAL A 112 3.461 -7.988 -10.565 1.00 52.42 C ATOM 0 H VAL A 112 4.075 -5.777 -7.040 1.00 64.23 H new ATOM 0 HA VAL A 112 2.318 -7.950 -8.019 1.00 75.05 H new ATOM 0 HB VAL A 112 2.123 -6.496 -9.711 1.00 55.52 H new ATOM 0 HG11 VAL A 112 3.966 -5.413 -10.984 1.00 41.53 H new ATOM 0 HG12 VAL A 112 3.789 -4.798 -9.324 1.00 41.53 H new ATOM 0 HG13 VAL A 112 5.102 -5.933 -9.717 1.00 41.53 H new ATOM 0 HG21 VAL A 112 3.422 -7.616 -11.589 1.00 52.42 H new ATOM 0 HG22 VAL A 112 4.457 -8.380 -10.360 1.00 52.42 H new ATOM 0 HG23 VAL A 112 2.725 -8.782 -10.439 1.00 52.42 H new ATOM 1731 N GLN A 113 4.255 -9.400 -7.501 1.00 24.44 N ATOM 1732 CA GLN A 113 5.318 -10.340 -7.152 1.00 43.32 C ATOM 1733 C GLN A 113 5.454 -11.404 -8.237 1.00 21.31 C ATOM 1734 O GLN A 113 4.478 -12.045 -8.639 1.00 43.45 O ATOM 1735 CB GLN A 113 5.085 -10.949 -5.761 1.00 22.12 C ATOM 1736 CG GLN A 113 6.156 -12.002 -5.415 1.00 62.22 C ATOM 1737 CD GLN A 113 6.303 -12.188 -3.909 1.00 60.24 C ATOM 1738 OE1 GLN A 113 5.308 -12.365 -3.230 1.00 32.54 O ATOM 1739 NE2 GLN A 113 7.498 -12.166 -3.338 1.00 52.31 N ATOM 0 H GLN A 113 3.337 -9.842 -7.550 1.00 24.44 H new ATOM 0 HA GLN A 113 6.264 -9.801 -7.099 1.00 43.32 H new ATOM 0 HB2 GLN A 113 5.096 -10.158 -5.011 1.00 22.12 H new ATOM 0 HB3 GLN A 113 4.097 -11.409 -5.725 1.00 22.12 H new ATOM 0 HG2 GLN A 113 5.891 -12.954 -5.874 1.00 62.22 H new ATOM 0 HG3 GLN A 113 7.113 -11.699 -5.839 1.00 62.22 H new ATOM 0 HE21 GLN A 113 8.332 -12.018 -3.906 1.00 52.31 H new ATOM 0 HE22 GLN A 113 7.584 -12.297 -2.330 1.00 52.31 H new ATOM 1748 N ASP A 114 6.693 -11.580 -8.697 1.00 13.12 N ATOM 1749 CA ASP A 114 6.985 -12.615 -9.705 1.00 4.30 C ATOM 1750 C ASP A 114 6.915 -14.033 -9.131 1.00 60.34 C ATOM 1751 O ASP A 114 6.878 -14.250 -7.917 1.00 4.31 O ATOM 1752 CB ASP A 114 8.341 -12.389 -10.403 1.00 75.32 C ATOM 1753 CG ASP A 114 8.167 -11.650 -11.739 1.00 2.12 C ATOM 1754 OD1 ASP A 114 7.250 -12.014 -12.505 1.00 55.34 O ATOM 1755 OD2 ASP A 114 8.947 -10.708 -12.027 1.00 62.34 O ATOM 0 H ASP A 114 7.501 -11.034 -8.398 1.00 13.12 H new ATOM 0 HA ASP A 114 6.199 -12.520 -10.454 1.00 4.30 H new ATOM 0 HB2 ASP A 114 8.997 -11.813 -9.750 1.00 75.32 H new ATOM 0 HB3 ASP A 114 8.827 -13.349 -10.577 1.00 75.32 H new ATOM 1760 N ALA A 115 6.901 -15.014 -10.037 1.00 32.20 N ATOM 1761 CA ALA A 115 6.974 -16.439 -9.749 1.00 14.20 C ATOM 1762 C ALA A 115 8.377 -16.874 -9.348 1.00 44.34 C ATOM 1763 O ALA A 115 9.368 -16.329 -9.845 1.00 61.42 O ATOM 1764 CB ALA A 115 6.625 -17.198 -11.026 1.00 1.50 C ATOM 0 H ALA A 115 6.835 -14.822 -11.037 1.00 32.20 H new ATOM 0 HA ALA A 115 6.289 -16.648 -8.927 1.00 14.20 H new ATOM 0 HB1 ALA A 115 6.673 -18.270 -10.836 1.00 1.50 H new ATOM 0 HB2 ALA A 115 5.618 -16.930 -11.345 1.00 1.50 H new ATOM 0 HB3 ALA A 115 7.335 -16.936 -11.810 1.00 1.50 H new ATOM 1770 N ALA A 116 8.461 -17.951 -8.572 1.00 0.24 N ATOM 1771 CA ALA A 116 9.679 -18.721 -8.406 1.00 20.44 C ATOM 1772 C ALA A 116 10.034 -19.455 -9.692 1.00 73.24 C ATOM 1773 O ALA A 116 9.172 -19.800 -10.508 1.00 55.32 O ATOM 1774 CB ALA A 116 9.463 -19.751 -7.294 1.00 62.31 C ATOM 0 H ALA A 116 7.672 -18.314 -8.036 1.00 0.24 H new ATOM 0 HA ALA A 116 10.493 -18.042 -8.153 1.00 20.44 H new ATOM 0 HB1 ALA A 116 10.372 -20.337 -7.159 1.00 62.31 H new ATOM 0 HB2 ALA A 116 9.221 -19.237 -6.364 1.00 62.31 H new ATOM 0 HB3 ALA A 116 8.641 -20.414 -7.566 1.00 62.31 H new ATOM 1780 N LYS A 117 11.317 -19.755 -9.844 1.00 33.24 N ATOM 1781 CA LYS A 117 11.843 -20.637 -10.867 1.00 44.12 C ATOM 1782 C LYS A 117 12.637 -21.732 -10.172 1.00 53.31 C ATOM 1783 O LYS A 117 13.867 -21.772 -10.211 1.00 60.23 O ATOM 1784 CB LYS A 117 12.640 -19.845 -11.899 1.00 74.23 C ATOM 1785 CG LYS A 117 12.931 -20.750 -13.110 1.00 53.33 C ATOM 1786 CD LYS A 117 13.871 -20.051 -14.082 1.00 74.34 C ATOM 1787 CE LYS A 117 13.136 -19.003 -14.915 1.00 20.21 C ATOM 1788 NZ LYS A 117 14.050 -17.938 -15.356 1.00 43.45 N ATOM 0 H LYS A 117 12.042 -19.376 -9.235 1.00 33.24 H new ATOM 0 HA LYS A 117 11.045 -21.114 -11.436 1.00 44.12 H new ATOM 0 HB2 LYS A 117 12.079 -18.965 -12.213 1.00 74.23 H new ATOM 0 HB3 LYS A 117 13.573 -19.489 -11.462 1.00 74.23 H new ATOM 0 HG2 LYS A 117 13.376 -21.686 -12.774 1.00 53.33 H new ATOM 0 HG3 LYS A 117 11.999 -21.004 -13.615 1.00 53.33 H new ATOM 0 HD2 LYS A 117 14.680 -19.575 -13.528 1.00 74.34 H new ATOM 0 HD3 LYS A 117 14.327 -20.788 -14.743 1.00 74.34 H new ATOM 0 HE2 LYS A 117 12.681 -19.479 -15.784 1.00 20.21 H new ATOM 0 HE3 LYS A 117 12.326 -18.571 -14.328 1.00 20.21 H new ATOM 0 HZ1 LYS A 117 13.524 -17.240 -15.920 1.00 43.45 H new ATOM 0 HZ2 LYS A 117 14.465 -17.470 -14.525 1.00 43.45 H new ATOM 0 HZ3 LYS A 117 14.809 -18.350 -15.936 1.00 43.45 H new ATOM 1802 N GLN A 118 11.907 -22.566 -9.442 1.00 4.20 N ATOM 1803 CA GLN A 118 12.422 -23.673 -8.664 1.00 55.35 C ATOM 1804 C GLN A 118 11.464 -24.822 -8.956 1.00 31.22 C ATOM 1805 O GLN A 118 10.812 -25.329 -8.018 1.00 51.45 O ATOM 1806 CB GLN A 118 12.496 -23.244 -7.182 1.00 2.13 C ATOM 1807 CG GLN A 118 13.521 -22.135 -6.865 1.00 31.23 C ATOM 1808 CD GLN A 118 13.032 -21.228 -5.741 1.00 41.33 C ATOM 1809 OE1 GLN A 118 12.906 -21.642 -4.592 1.00 21.43 O ATOM 1810 NE2 GLN A 118 12.765 -19.968 -6.032 1.00 75.12 N ATOM 0 H GLN A 118 10.893 -22.480 -9.377 1.00 4.20 H new ATOM 0 HA GLN A 118 13.436 -23.985 -8.914 1.00 55.35 H new ATOM 0 HB2 GLN A 118 11.509 -22.903 -6.870 1.00 2.13 H new ATOM 0 HB3 GLN A 118 12.736 -24.120 -6.579 1.00 2.13 H new ATOM 0 HG2 GLN A 118 14.472 -22.587 -6.582 1.00 31.23 H new ATOM 0 HG3 GLN A 118 13.704 -21.541 -7.760 1.00 31.23 H new ATOM 0 HE21 GLN A 118 12.872 -19.632 -6.989 1.00 75.12 H new ATOM 0 HE22 GLN A 118 12.452 -19.331 -5.300 1.00 75.12 H new