USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 707 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: B 237 SER OG : rot -118:sc= 0.276 USER MOD Set 1.2: B 239 SER OG : rot 180:sc= 0.207 USER MOD Set 2.1: A 49 HIS : no HE2:sc= 0.81 K(o=2.2,f=-6.2!) USER MOD Set 2.2: B 241 TYR OH : rot -128:sc= 1.4 USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= -0.0273 (180deg=-0.222) USER MOD Single : A 13 THR OG1 : rot 8:sc= 0.149 USER MOD Single : A 14 LYS NZ :NH3+ -117:sc= -0.0216 (180deg=-0.235) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0464 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0781 X(o=-0.078,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 161:sc= -0.137 (180deg=-0.644) USER MOD Single : A 39 SER OG : rot -78:sc= 0.433 USER MOD Single : A 41 TYR OH : rot 180:sc= 0.871 USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : B 213 THR OG1 : rot 180:sc= -0.0907 USER MOD Single : B 214 LYS NZ :NH3+ -169:sc= -0.02 (180deg=-0.16) USER MOD Single : B 221 TYR OH : rot 41:sc= 0.0261 USER MOD Single : B 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 230 SER OG : rot -19:sc= 0.426 USER MOD Single : B 235 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 236 THR OG1 : rot 180:sc= 0 USER MOD Single : B 238 MET CE :methyl 163:sc= -0.19 (180deg=-1.08) USER MOD Single : B 248 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : B 249 HIS : no HD1:sc= -0.102 K(o=-0.1,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 11 5.010 13.192 -9.092 1.00 4.11 N ATOM 146 CA LYS A 11 6.072 12.184 -9.216 1.00 25.15 C ATOM 147 C LYS A 11 6.852 12.033 -7.898 1.00 43.12 C ATOM 148 O LYS A 11 7.967 11.509 -7.875 1.00 4.55 O ATOM 149 CB LYS A 11 7.024 12.565 -10.358 1.00 1.54 C ATOM 150 CG LYS A 11 7.737 13.901 -10.156 1.00 33.23 C ATOM 151 CD LYS A 11 8.652 14.234 -11.332 1.00 31.21 C ATOM 152 CE LYS A 11 9.406 15.542 -11.116 1.00 42.33 C ATOM 153 NZ LYS A 11 10.291 15.484 -9.923 1.00 31.02 N ATOM 0 HA LYS A 11 5.608 11.224 -9.442 1.00 25.15 H new ATOM 0 HB2 LYS A 11 7.772 11.780 -10.471 1.00 1.54 H new ATOM 0 HB3 LYS A 11 6.459 12.604 -11.290 1.00 1.54 H new ATOM 0 HG2 LYS A 11 6.998 14.693 -10.033 1.00 33.23 H new ATOM 0 HG3 LYS A 11 8.323 13.866 -9.237 1.00 33.23 H new ATOM 0 HD2 LYS A 11 9.366 13.423 -11.477 1.00 31.21 H new ATOM 0 HD3 LYS A 11 8.059 14.303 -12.244 1.00 31.21 H new ATOM 0 HE2 LYS A 11 10.003 15.766 -12.000 1.00 42.33 H new ATOM 0 HE3 LYS A 11 8.692 16.357 -10.998 1.00 42.33 H new ATOM 0 HZ1 LYS A 11 10.954 16.285 -9.943 1.00 31.02 H new ATOM 0 HZ2 LYS A 11 9.713 15.534 -9.060 1.00 31.02 H new ATOM 0 HZ3 LYS A 11 10.826 14.592 -9.931 1.00 31.02 H new ATOM 167 N ASP A 12 6.246 12.489 -6.803 1.00 34.41 N ATOM 168 CA ASP A 12 6.852 12.385 -5.472 1.00 35.15 C ATOM 169 C ASP A 12 6.889 10.924 -5.001 1.00 55.43 C ATOM 170 O ASP A 12 7.690 10.544 -4.144 1.00 61.42 O ATOM 171 CB ASP A 12 6.061 13.248 -4.472 1.00 52.31 C ATOM 172 CG ASP A 12 4.630 12.763 -4.242 1.00 60.11 C ATOM 173 OD1 ASP A 12 4.046 12.121 -5.146 1.00 44.32 O ATOM 174 OD2 ASP A 12 4.075 13.036 -3.153 1.00 64.32 O ATOM 0 H ASP A 12 5.330 12.937 -6.810 1.00 34.41 H new ATOM 0 HA ASP A 12 7.878 12.749 -5.527 1.00 35.15 H new ATOM 0 HB2 ASP A 12 6.589 13.260 -3.519 1.00 52.31 H new ATOM 0 HB3 ASP A 12 6.033 14.276 -4.834 1.00 52.31 H new ATOM 179 N THR A 13 6.008 10.119 -5.580 1.00 43.02 N ATOM 180 CA THR A 13 5.874 8.703 -5.237 1.00 70.24 C ATOM 181 C THR A 13 5.848 7.825 -6.493 1.00 61.21 C ATOM 182 O THR A 13 5.174 8.144 -7.474 1.00 43.55 O ATOM 183 CB THR A 13 4.587 8.452 -4.417 1.00 45.20 C ATOM 184 OG1 THR A 13 3.457 9.079 -5.048 1.00 62.24 O ATOM 185 CG2 THR A 13 4.727 8.972 -2.995 1.00 75.11 C ATOM 0 H THR A 13 5.361 10.428 -6.305 1.00 43.02 H new ATOM 0 HA THR A 13 6.743 8.436 -4.636 1.00 70.24 H new ATOM 0 HB THR A 13 4.428 7.374 -4.378 1.00 45.20 H new ATOM 0 HG1 THR A 13 3.722 9.423 -5.926 1.00 62.24 H new ATOM 0 HG21 THR A 13 3.806 8.780 -2.445 1.00 75.11 H new ATOM 0 HG22 THR A 13 5.556 8.465 -2.502 1.00 75.11 H new ATOM 0 HG23 THR A 13 4.920 10.045 -3.017 1.00 75.11 H new ATOM 193 N LYS A 14 6.583 6.716 -6.457 1.00 53.33 N ATOM 194 CA LYS A 14 6.678 5.813 -7.608 1.00 63.42 C ATOM 195 C LYS A 14 5.477 4.852 -7.668 1.00 11.12 C ATOM 196 O LYS A 14 4.989 4.389 -6.631 1.00 54.11 O ATOM 197 CB LYS A 14 7.995 5.022 -7.551 1.00 43.15 C ATOM 198 CG LYS A 14 9.239 5.908 -7.493 1.00 70.51 C ATOM 199 CD LYS A 14 9.301 6.888 -8.665 1.00 21.30 C ATOM 200 CE LYS A 14 10.489 7.842 -8.556 1.00 60.32 C ATOM 201 NZ LYS A 14 11.796 7.134 -8.626 1.00 55.05 N ATOM 0 H LYS A 14 7.123 6.418 -5.644 1.00 53.33 H new ATOM 0 HA LYS A 14 6.665 6.418 -8.514 1.00 63.42 H new ATOM 0 HB2 LYS A 14 7.981 4.372 -6.676 1.00 43.15 H new ATOM 0 HB3 LYS A 14 8.060 4.376 -8.427 1.00 43.15 H new ATOM 0 HG2 LYS A 14 9.245 6.464 -6.555 1.00 70.51 H new ATOM 0 HG3 LYS A 14 10.131 5.281 -7.497 1.00 70.51 H new ATOM 0 HD2 LYS A 14 9.369 6.331 -9.599 1.00 21.30 H new ATOM 0 HD3 LYS A 14 8.377 7.464 -8.704 1.00 21.30 H new ATOM 0 HE2 LYS A 14 10.435 8.578 -9.358 1.00 60.32 H new ATOM 0 HE3 LYS A 14 10.426 8.390 -7.616 1.00 60.32 H new ATOM 0 HZ1 LYS A 14 12.309 7.263 -7.731 1.00 55.05 H new ATOM 0 HZ2 LYS A 14 11.633 6.120 -8.788 1.00 55.05 H new ATOM 0 HZ3 LYS A 14 12.360 7.523 -9.408 1.00 55.05 H new ATOM 215 N PRO A 15 4.982 4.542 -8.885 1.00 24.11 N ATOM 216 CA PRO A 15 3.803 3.677 -9.072 1.00 23.25 C ATOM 217 C PRO A 15 4.077 2.190 -8.777 1.00 33.34 C ATOM 218 O PRO A 15 5.027 1.597 -9.303 1.00 34.50 O ATOM 219 CB PRO A 15 3.453 3.883 -10.552 1.00 42.43 C ATOM 220 CG PRO A 15 4.750 4.231 -11.199 1.00 31.14 C ATOM 221 CD PRO A 15 5.525 5.021 -10.176 1.00 14.11 C ATOM 0 HA PRO A 15 3.001 3.938 -8.381 1.00 23.25 H new ATOM 0 HB2 PRO A 15 3.022 2.981 -10.987 1.00 42.43 H new ATOM 0 HB3 PRO A 15 2.720 4.680 -10.679 1.00 42.43 H new ATOM 0 HG2 PRO A 15 5.293 3.333 -11.492 1.00 31.14 H new ATOM 0 HG3 PRO A 15 4.590 4.816 -12.105 1.00 31.14 H new ATOM 0 HD2 PRO A 15 6.596 4.836 -10.254 1.00 14.11 H new ATOM 0 HD3 PRO A 15 5.376 6.094 -10.301 1.00 14.11 H new ATOM 229 N VAL A 16 3.236 1.597 -7.934 1.00 10.30 N ATOM 230 CA VAL A 16 3.335 0.177 -7.589 1.00 63.42 C ATOM 231 C VAL A 16 1.938 -0.435 -7.394 1.00 63.51 C ATOM 232 O VAL A 16 1.038 0.204 -6.849 1.00 13.34 O ATOM 233 CB VAL A 16 4.187 -0.030 -6.307 1.00 33.32 C ATOM 234 CG1 VAL A 16 3.594 0.730 -5.117 1.00 20.12 C ATOM 235 CG2 VAL A 16 4.345 -1.518 -5.985 1.00 1.15 C ATOM 0 H VAL A 16 2.468 2.083 -7.471 1.00 10.30 H new ATOM 0 HA VAL A 16 3.829 -0.330 -8.418 1.00 63.42 H new ATOM 0 HB VAL A 16 5.179 0.378 -6.500 1.00 33.32 H new ATOM 0 HG11 VAL A 16 4.213 0.565 -4.235 1.00 20.12 H new ATOM 0 HG12 VAL A 16 3.563 1.796 -5.345 1.00 20.12 H new ATOM 0 HG13 VAL A 16 2.583 0.371 -4.923 1.00 20.12 H new ATOM 0 HG21 VAL A 16 4.946 -1.633 -5.083 1.00 1.15 H new ATOM 0 HG22 VAL A 16 3.362 -1.962 -5.826 1.00 1.15 H new ATOM 0 HG23 VAL A 16 4.840 -2.020 -6.817 1.00 1.15 H new ATOM 245 N VAL A 17 1.749 -1.664 -7.858 1.00 12.30 N ATOM 246 CA VAL A 17 0.445 -2.327 -7.759 1.00 4.42 C ATOM 247 C VAL A 17 0.352 -3.243 -6.525 1.00 22.34 C ATOM 248 O VAL A 17 1.171 -4.143 -6.331 1.00 11.12 O ATOM 249 CB VAL A 17 0.126 -3.145 -9.039 1.00 3.51 C ATOM 250 CG1 VAL A 17 1.179 -4.221 -9.290 1.00 44.52 C ATOM 251 CG2 VAL A 17 -1.273 -3.761 -8.958 1.00 32.34 C ATOM 0 H VAL A 17 2.475 -2.224 -8.305 1.00 12.30 H new ATOM 0 HA VAL A 17 -0.294 -1.533 -7.652 1.00 4.42 H new ATOM 0 HB VAL A 17 0.148 -2.457 -9.884 1.00 3.51 H new ATOM 0 HG11 VAL A 17 0.925 -4.775 -10.194 1.00 44.52 H new ATOM 0 HG12 VAL A 17 2.155 -3.753 -9.414 1.00 44.52 H new ATOM 0 HG13 VAL A 17 1.210 -4.905 -8.442 1.00 44.52 H new ATOM 0 HG21 VAL A 17 -1.473 -4.329 -9.866 1.00 32.34 H new ATOM 0 HG22 VAL A 17 -1.329 -4.425 -8.095 1.00 32.34 H new ATOM 0 HG23 VAL A 17 -2.014 -2.968 -8.855 1.00 32.34 H new ATOM 261 N VAL A 18 -0.650 -2.992 -5.689 1.00 2.14 N ATOM 262 CA VAL A 18 -0.945 -3.847 -4.537 1.00 40.21 C ATOM 263 C VAL A 18 -2.307 -4.534 -4.725 1.00 4.22 C ATOM 264 O VAL A 18 -3.248 -3.931 -5.234 1.00 31.23 O ATOM 265 CB VAL A 18 -0.940 -3.036 -3.212 1.00 50.52 C ATOM 266 CG1 VAL A 18 -2.005 -1.937 -3.232 1.00 52.14 C ATOM 267 CG2 VAL A 18 -1.122 -3.959 -2.005 1.00 24.42 C ATOM 0 H VAL A 18 -1.279 -2.195 -5.787 1.00 2.14 H new ATOM 0 HA VAL A 18 -0.163 -4.603 -4.473 1.00 40.21 H new ATOM 0 HB VAL A 18 0.032 -2.552 -3.120 1.00 50.52 H new ATOM 0 HG11 VAL A 18 -1.977 -1.387 -2.292 1.00 52.14 H new ATOM 0 HG12 VAL A 18 -1.808 -1.254 -4.058 1.00 52.14 H new ATOM 0 HG13 VAL A 18 -2.990 -2.387 -3.360 1.00 52.14 H new ATOM 0 HG21 VAL A 18 -1.115 -3.367 -1.090 1.00 24.42 H new ATOM 0 HG22 VAL A 18 -2.073 -4.485 -2.089 1.00 24.42 H new ATOM 0 HG23 VAL A 18 -0.308 -4.683 -1.975 1.00 24.42 H new ATOM 277 N ARG A 19 -2.414 -5.800 -4.339 1.00 21.32 N ATOM 278 CA ARG A 19 -3.649 -6.558 -4.556 1.00 51.35 C ATOM 279 C ARG A 19 -4.370 -6.873 -3.234 1.00 71.51 C ATOM 280 O ARG A 19 -3.827 -7.553 -2.361 1.00 42.50 O ATOM 281 CB ARG A 19 -3.347 -7.848 -5.331 1.00 53.14 C ATOM 282 CG ARG A 19 -2.711 -7.608 -6.698 1.00 64.33 C ATOM 283 CD ARG A 19 -2.529 -8.903 -7.487 1.00 23.21 C ATOM 284 NE ARG A 19 -3.806 -9.538 -7.824 1.00 41.04 N ATOM 285 CZ ARG A 19 -4.175 -9.847 -9.042 1.00 44.33 C ATOM 286 NH1 ARG A 19 -3.436 -9.530 -10.059 1.00 44.14 N ATOM 287 NH2 ARG A 19 -5.301 -10.449 -9.243 1.00 71.43 N ATOM 0 H ARG A 19 -1.670 -6.323 -3.878 1.00 21.32 H new ATOM 0 HA ARG A 19 -4.321 -5.937 -5.148 1.00 51.35 H new ATOM 0 HB2 ARG A 19 -2.681 -8.472 -4.735 1.00 53.14 H new ATOM 0 HB3 ARG A 19 -4.273 -8.407 -5.464 1.00 53.14 H new ATOM 0 HG2 ARG A 19 -3.334 -6.921 -7.271 1.00 64.33 H new ATOM 0 HG3 ARG A 19 -1.742 -7.126 -6.566 1.00 64.33 H new ATOM 0 HD2 ARG A 19 -1.979 -8.692 -8.404 1.00 23.21 H new ATOM 0 HD3 ARG A 19 -1.924 -9.598 -6.905 1.00 23.21 H new ATOM 0 HE ARG A 19 -4.448 -9.753 -7.061 1.00 41.04 H new ATOM 0 HH11 ARG A 19 -2.556 -9.034 -9.915 1.00 44.14 H new ATOM 0 HH12 ARG A 19 -3.734 -9.776 -11.003 1.00 44.14 H new ATOM 0 HH21 ARG A 19 -5.902 -10.683 -8.453 1.00 71.43 H new ATOM 0 HH22 ARG A 19 -5.588 -10.690 -10.192 1.00 71.43 H new ATOM 301 N LEU A 20 -5.601 -6.382 -3.109 1.00 43.43 N ATOM 302 CA LEU A 20 -6.405 -6.566 -1.890 1.00 65.21 C ATOM 303 C LEU A 20 -7.632 -7.458 -2.168 1.00 35.52 C ATOM 304 O LEU A 20 -8.073 -7.581 -3.310 1.00 14.10 O ATOM 305 CB LEU A 20 -6.850 -5.195 -1.346 1.00 62.42 C ATOM 306 CG LEU A 20 -7.614 -5.221 -0.006 1.00 20.31 C ATOM 307 CD1 LEU A 20 -6.750 -5.823 1.101 1.00 52.44 C ATOM 308 CD2 LEU A 20 -8.088 -3.817 0.375 1.00 2.33 C ATOM 0 H LEU A 20 -6.072 -5.849 -3.840 1.00 43.43 H new ATOM 0 HA LEU A 20 -5.790 -7.065 -1.141 1.00 65.21 H new ATOM 0 HB2 LEU A 20 -5.966 -4.568 -1.227 1.00 62.42 H new ATOM 0 HB3 LEU A 20 -7.482 -4.716 -2.094 1.00 62.42 H new ATOM 0 HG LEU A 20 -8.493 -5.854 -0.129 1.00 20.31 H new ATOM 0 HD11 LEU A 20 -7.310 -5.831 2.036 1.00 52.44 H new ATOM 0 HD12 LEU A 20 -6.476 -6.844 0.834 1.00 52.44 H new ATOM 0 HD13 LEU A 20 -5.847 -5.225 1.224 1.00 52.44 H new ATOM 0 HD21 LEU A 20 -8.624 -3.859 1.323 1.00 2.33 H new ATOM 0 HD22 LEU A 20 -7.227 -3.157 0.474 1.00 2.33 H new ATOM 0 HD23 LEU A 20 -8.751 -3.434 -0.400 1.00 2.33 H new ATOM 320 N TYR A 21 -8.180 -8.075 -1.123 1.00 65.24 N ATOM 321 CA TYR A 21 -9.309 -9.008 -1.268 1.00 12.34 C ATOM 322 C TYR A 21 -10.634 -8.266 -1.560 1.00 42.23 C ATOM 323 O TYR A 21 -10.901 -7.210 -0.985 1.00 62.35 O ATOM 324 CB TYR A 21 -9.435 -9.861 0.003 1.00 74.52 C ATOM 325 CG TYR A 21 -8.166 -10.622 0.346 1.00 75.54 C ATOM 326 CD1 TYR A 21 -7.126 -10.005 1.037 1.00 34.14 C ATOM 327 CD2 TYR A 21 -8.006 -11.955 -0.018 1.00 15.35 C ATOM 328 CE1 TYR A 21 -5.971 -10.689 1.350 1.00 62.01 C ATOM 329 CE2 TYR A 21 -6.852 -12.646 0.292 1.00 14.30 C ATOM 330 CZ TYR A 21 -5.839 -12.010 0.978 1.00 32.23 C ATOM 331 OH TYR A 21 -4.687 -12.694 1.289 1.00 23.35 O ATOM 0 H TYR A 21 -7.863 -7.949 -0.162 1.00 65.24 H new ATOM 0 HA TYR A 21 -9.110 -9.655 -2.122 1.00 12.34 H new ATOM 0 HB2 TYR A 21 -9.700 -9.215 0.840 1.00 74.52 H new ATOM 0 HB3 TYR A 21 -10.253 -10.571 -0.124 1.00 74.52 H new ATOM 0 HD1 TYR A 21 -7.226 -8.971 1.333 1.00 34.14 H new ATOM 0 HD2 TYR A 21 -8.798 -12.458 -0.552 1.00 15.35 H new ATOM 0 HE1 TYR A 21 -5.174 -10.193 1.884 1.00 62.01 H new ATOM 0 HE2 TYR A 21 -6.743 -13.680 -0.001 1.00 14.30 H new ATOM 0 HH TYR A 21 -4.753 -13.614 0.958 1.00 23.35 H new ATOM 341 N PRO A 22 -11.491 -8.832 -2.446 1.00 31.42 N ATOM 342 CA PRO A 22 -12.745 -8.181 -2.896 1.00 62.24 C ATOM 343 C PRO A 22 -13.643 -7.695 -1.748 1.00 13.11 C ATOM 344 O PRO A 22 -14.039 -6.528 -1.712 1.00 41.40 O ATOM 345 CB PRO A 22 -13.450 -9.287 -3.697 1.00 5.11 C ATOM 346 CG PRO A 22 -12.345 -10.169 -4.172 1.00 71.24 C ATOM 347 CD PRO A 22 -11.308 -10.153 -3.080 1.00 43.31 C ATOM 0 HA PRO A 22 -12.533 -7.276 -3.465 1.00 62.24 H new ATOM 0 HB2 PRO A 22 -14.157 -9.837 -3.076 1.00 5.11 H new ATOM 0 HB3 PRO A 22 -14.014 -8.873 -4.533 1.00 5.11 H new ATOM 0 HG2 PRO A 22 -12.704 -11.182 -4.355 1.00 71.24 H new ATOM 0 HG3 PRO A 22 -11.929 -9.804 -5.111 1.00 71.24 H new ATOM 0 HD2 PRO A 22 -11.463 -10.964 -2.368 1.00 43.31 H new ATOM 0 HD3 PRO A 22 -10.301 -10.269 -3.481 1.00 43.31 H new ATOM 355 N ASP A 23 -13.963 -8.589 -0.814 1.00 43.33 N ATOM 356 CA ASP A 23 -14.854 -8.250 0.304 1.00 12.51 C ATOM 357 C ASP A 23 -14.263 -7.129 1.177 1.00 3.23 C ATOM 358 O ASP A 23 -14.992 -6.283 1.697 1.00 54.21 O ATOM 359 CB ASP A 23 -15.133 -9.495 1.151 1.00 33.12 C ATOM 360 CG ASP A 23 -15.613 -10.663 0.306 1.00 42.33 C ATOM 361 OD1 ASP A 23 -16.590 -10.496 -0.456 1.00 31.52 O ATOM 362 OD2 ASP A 23 -15.008 -11.753 0.393 1.00 42.14 O ATOM 0 H ASP A 23 -13.622 -9.550 -0.805 1.00 43.33 H new ATOM 0 HA ASP A 23 -15.792 -7.884 -0.113 1.00 12.51 H new ATOM 0 HB2 ASP A 23 -14.226 -9.782 1.684 1.00 33.12 H new ATOM 0 HB3 ASP A 23 -15.885 -9.260 1.905 1.00 33.12 H new ATOM 367 N GLU A 24 -12.939 -7.119 1.312 1.00 74.54 N ATOM 368 CA GLU A 24 -12.241 -6.077 2.072 1.00 55.30 C ATOM 369 C GLU A 24 -12.288 -4.728 1.334 1.00 70.10 C ATOM 370 O GLU A 24 -12.504 -3.681 1.945 1.00 62.34 O ATOM 371 CB GLU A 24 -10.795 -6.519 2.347 1.00 64.21 C ATOM 372 CG GLU A 24 -10.710 -7.715 3.295 1.00 34.33 C ATOM 373 CD GLU A 24 -9.319 -8.325 3.396 1.00 14.53 C ATOM 374 OE1 GLU A 24 -8.329 -7.574 3.418 1.00 42.03 O ATOM 375 OE2 GLU A 24 -9.222 -9.571 3.479 1.00 23.33 O ATOM 0 H GLU A 24 -12.323 -7.822 0.904 1.00 74.54 H new ATOM 0 HA GLU A 24 -12.747 -5.936 3.027 1.00 55.30 H new ATOM 0 HB2 GLU A 24 -10.313 -6.774 1.404 1.00 64.21 H new ATOM 0 HB3 GLU A 24 -10.240 -5.684 2.773 1.00 64.21 H new ATOM 0 HG2 GLU A 24 -11.032 -7.402 4.288 1.00 34.33 H new ATOM 0 HG3 GLU A 24 -11.409 -8.482 2.960 1.00 34.33 H new ATOM 382 N ILE A 25 -12.105 -4.762 0.013 1.00 24.02 N ATOM 383 CA ILE A 25 -12.290 -3.568 -0.825 1.00 64.40 C ATOM 384 C ILE A 25 -13.747 -3.073 -0.749 1.00 52.11 C ATOM 385 O ILE A 25 -14.018 -1.871 -0.741 1.00 43.25 O ATOM 386 CB ILE A 25 -11.933 -3.857 -2.308 1.00 53.11 C ATOM 387 CG1 ILE A 25 -10.475 -4.333 -2.431 1.00 61.44 C ATOM 388 CG2 ILE A 25 -12.174 -2.619 -3.177 1.00 34.02 C ATOM 389 CD1 ILE A 25 -10.051 -4.674 -3.847 1.00 71.15 C ATOM 0 H ILE A 25 -11.830 -5.599 -0.502 1.00 24.02 H new ATOM 0 HA ILE A 25 -11.619 -2.798 -0.443 1.00 64.40 H new ATOM 0 HB ILE A 25 -12.585 -4.654 -2.666 1.00 53.11 H new ATOM 0 HG12 ILE A 25 -9.817 -3.556 -2.044 1.00 61.44 H new ATOM 0 HG13 ILE A 25 -10.337 -5.211 -1.800 1.00 61.44 H new ATOM 0 HG21 ILE A 25 -11.917 -2.845 -4.212 1.00 34.02 H new ATOM 0 HG22 ILE A 25 -13.224 -2.332 -3.118 1.00 34.02 H new ATOM 0 HG23 ILE A 25 -11.553 -1.797 -2.820 1.00 34.02 H new ATOM 0 HD11 ILE A 25 -9.011 -5.001 -3.847 1.00 71.15 H new ATOM 0 HD12 ILE A 25 -10.683 -5.474 -4.233 1.00 71.15 H new ATOM 0 HD13 ILE A 25 -10.154 -3.793 -4.480 1.00 71.15 H new ATOM 401 N GLU A 26 -14.677 -4.023 -0.686 1.00 52.32 N ATOM 402 CA GLU A 26 -16.112 -3.729 -0.588 1.00 55.11 C ATOM 403 C GLU A 26 -16.464 -3.097 0.769 1.00 1.50 C ATOM 404 O GLU A 26 -17.335 -2.231 0.862 1.00 64.32 O ATOM 405 CB GLU A 26 -16.912 -5.018 -0.821 1.00 74.32 C ATOM 406 CG GLU A 26 -18.427 -4.850 -0.761 1.00 30.32 C ATOM 407 CD GLU A 26 -19.161 -6.049 -1.343 1.00 20.25 C ATOM 408 OE1 GLU A 26 -19.201 -7.112 -0.688 1.00 21.32 O ATOM 409 OE2 GLU A 26 -19.685 -5.938 -2.474 1.00 65.21 O ATOM 0 H GLU A 26 -14.461 -5.020 -0.701 1.00 52.32 H new ATOM 0 HA GLU A 26 -16.375 -3.001 -1.356 1.00 55.11 H new ATOM 0 HB2 GLU A 26 -16.644 -5.424 -1.796 1.00 74.32 H new ATOM 0 HB3 GLU A 26 -16.612 -5.755 -0.076 1.00 74.32 H new ATOM 0 HG2 GLU A 26 -18.734 -4.706 0.275 1.00 30.32 H new ATOM 0 HG3 GLU A 26 -18.713 -3.951 -1.307 1.00 30.32 H new ATOM 416 N ALA A 27 -15.776 -3.534 1.820 1.00 70.14 N ATOM 417 CA ALA A 27 -15.913 -2.920 3.144 1.00 65.33 C ATOM 418 C ALA A 27 -15.245 -1.533 3.187 1.00 73.33 C ATOM 419 O ALA A 27 -15.695 -0.629 3.894 1.00 52.40 O ATOM 420 CB ALA A 27 -15.313 -3.836 4.208 1.00 42.44 C ATOM 0 H ALA A 27 -15.117 -4.311 1.784 1.00 70.14 H new ATOM 0 HA ALA A 27 -16.975 -2.784 3.350 1.00 65.33 H new ATOM 0 HB1 ALA A 27 -15.419 -3.372 5.189 1.00 42.44 H new ATOM 0 HB2 ALA A 27 -15.835 -4.793 4.201 1.00 42.44 H new ATOM 0 HB3 ALA A 27 -14.256 -3.997 3.995 1.00 42.44 H new ATOM 426 N LEU A 28 -14.170 -1.376 2.413 1.00 13.44 N ATOM 427 CA LEU A 28 -13.426 -0.113 2.354 1.00 22.30 C ATOM 428 C LEU A 28 -14.190 0.970 1.569 1.00 3.14 C ATOM 429 O LEU A 28 -14.326 2.101 2.035 1.00 65.42 O ATOM 430 CB LEU A 28 -12.044 -0.346 1.720 1.00 12.13 C ATOM 431 CG LEU A 28 -11.133 0.893 1.645 1.00 45.55 C ATOM 432 CD1 LEU A 28 -10.849 1.447 3.042 1.00 2.44 C ATOM 433 CD2 LEU A 28 -9.832 0.557 0.921 1.00 2.12 C ATOM 0 H LEU A 28 -13.792 -2.111 1.815 1.00 13.44 H new ATOM 0 HA LEU A 28 -13.305 0.246 3.376 1.00 22.30 H new ATOM 0 HB2 LEU A 28 -11.529 -1.121 2.288 1.00 12.13 H new ATOM 0 HB3 LEU A 28 -12.187 -0.732 0.711 1.00 12.13 H new ATOM 0 HG LEU A 28 -11.653 1.665 1.077 1.00 45.55 H new ATOM 0 HD11 LEU A 28 -10.204 2.322 2.962 1.00 2.44 H new ATOM 0 HD12 LEU A 28 -11.787 1.731 3.519 1.00 2.44 H new ATOM 0 HD13 LEU A 28 -10.353 0.684 3.642 1.00 2.44 H new ATOM 0 HD21 LEU A 28 -9.200 1.444 0.877 1.00 2.12 H new ATOM 0 HD22 LEU A 28 -9.310 -0.234 1.459 1.00 2.12 H new ATOM 0 HD23 LEU A 28 -10.055 0.220 -0.091 1.00 2.12 H new ATOM 445 N LYS A 29 -14.701 0.617 0.386 1.00 63.01 N ATOM 446 CA LYS A 29 -15.393 1.581 -0.492 1.00 14.33 C ATOM 447 C LYS A 29 -16.582 2.262 0.212 1.00 32.41 C ATOM 448 O LYS A 29 -16.973 3.371 -0.143 1.00 44.43 O ATOM 449 CB LYS A 29 -15.888 0.886 -1.772 1.00 43.41 C ATOM 450 CG LYS A 29 -16.953 -0.179 -1.523 1.00 55.22 C ATOM 451 CD LYS A 29 -17.517 -0.752 -2.823 1.00 64.21 C ATOM 452 CE LYS A 29 -16.453 -1.463 -3.652 1.00 41.12 C ATOM 453 NZ LYS A 29 -17.017 -2.029 -4.904 1.00 54.14 N ATOM 0 H LYS A 29 -14.651 -0.329 0.009 1.00 63.01 H new ATOM 0 HA LYS A 29 -14.666 2.352 -0.748 1.00 14.33 H new ATOM 0 HB2 LYS A 29 -16.291 1.638 -2.450 1.00 43.41 H new ATOM 0 HB3 LYS A 29 -15.038 0.426 -2.276 1.00 43.41 H new ATOM 0 HG2 LYS A 29 -16.524 -0.986 -0.929 1.00 55.22 H new ATOM 0 HG3 LYS A 29 -17.764 0.252 -0.937 1.00 55.22 H new ATOM 0 HD2 LYS A 29 -18.321 -1.451 -2.591 1.00 64.21 H new ATOM 0 HD3 LYS A 29 -17.955 0.053 -3.412 1.00 64.21 H new ATOM 0 HE2 LYS A 29 -15.655 -0.762 -3.897 1.00 41.12 H new ATOM 0 HE3 LYS A 29 -16.005 -2.262 -3.061 1.00 41.12 H new ATOM 0 HZ1 LYS A 29 -16.263 -2.504 -5.440 1.00 54.14 H new ATOM 0 HZ2 LYS A 29 -17.762 -2.716 -4.670 1.00 54.14 H new ATOM 0 HZ3 LYS A 29 -17.422 -1.263 -5.480 1.00 54.14 H new ATOM 467 N SER A 30 -17.148 1.584 1.206 1.00 2.40 N ATOM 468 CA SER A 30 -18.301 2.111 1.954 1.00 3.31 C ATOM 469 C SER A 30 -17.904 3.260 2.895 1.00 44.32 C ATOM 470 O SER A 30 -18.741 4.074 3.286 1.00 61.23 O ATOM 471 CB SER A 30 -18.956 0.988 2.766 1.00 74.42 C ATOM 472 OG SER A 30 -20.047 1.469 3.534 1.00 4.43 O ATOM 0 H SER A 30 -16.831 0.666 1.518 1.00 2.40 H new ATOM 0 HA SER A 30 -19.008 2.506 1.225 1.00 3.31 H new ATOM 0 HB2 SER A 30 -19.302 0.205 2.092 1.00 74.42 H new ATOM 0 HB3 SER A 30 -18.216 0.536 3.427 1.00 74.42 H new ATOM 0 HG SER A 30 -20.444 0.728 4.039 1.00 4.43 H new ATOM 478 N ARG A 31 -16.622 3.329 3.254 1.00 42.35 N ATOM 479 CA ARG A 31 -16.137 4.318 4.230 1.00 73.02 C ATOM 480 C ARG A 31 -15.072 5.258 3.636 1.00 33.20 C ATOM 481 O ARG A 31 -14.290 5.866 4.371 1.00 10.02 O ATOM 482 CB ARG A 31 -15.570 3.590 5.457 1.00 22.30 C ATOM 483 CG ARG A 31 -14.451 2.607 5.125 1.00 70.40 C ATOM 484 CD ARG A 31 -13.947 1.872 6.363 1.00 23.44 C ATOM 485 NE ARG A 31 -12.941 0.860 6.037 1.00 53.44 N ATOM 486 CZ ARG A 31 -12.314 0.143 6.932 1.00 2.34 C ATOM 487 NH1 ARG A 31 -12.536 0.328 8.193 1.00 25.31 N ATOM 488 NH2 ARG A 31 -11.457 -0.756 6.568 1.00 30.33 N ATOM 0 H ARG A 31 -15.897 2.714 2.886 1.00 42.35 H new ATOM 0 HA ARG A 31 -16.985 4.939 4.519 1.00 73.02 H new ATOM 0 HB2 ARG A 31 -15.194 4.329 6.165 1.00 22.30 H new ATOM 0 HB3 ARG A 31 -16.377 3.053 5.955 1.00 22.30 H new ATOM 0 HG2 ARG A 31 -14.811 1.882 4.395 1.00 70.40 H new ATOM 0 HG3 ARG A 31 -13.624 3.144 4.661 1.00 70.40 H new ATOM 0 HD2 ARG A 31 -13.522 2.592 7.062 1.00 23.44 H new ATOM 0 HD3 ARG A 31 -14.788 1.396 6.868 1.00 23.44 H new ATOM 0 HE ARG A 31 -12.716 0.705 5.054 1.00 53.44 H new ATOM 0 HH11 ARG A 31 -13.204 1.037 8.495 1.00 25.31 H new ATOM 0 HH12 ARG A 31 -12.043 -0.235 8.886 1.00 25.31 H new ATOM 0 HH21 ARG A 31 -11.267 -0.908 5.577 1.00 30.33 H new ATOM 0 HH22 ARG A 31 -10.971 -1.312 7.272 1.00 30.33 H new ATOM 502 N VAL A 32 -15.045 5.393 2.313 1.00 40.50 N ATOM 503 CA VAL A 32 -14.109 6.317 1.658 1.00 44.31 C ATOM 504 C VAL A 32 -14.724 7.721 1.498 1.00 31.33 C ATOM 505 O VAL A 32 -15.939 7.863 1.328 1.00 22.51 O ATOM 506 CB VAL A 32 -13.652 5.794 0.269 1.00 25.44 C ATOM 507 CG1 VAL A 32 -12.899 4.472 0.408 1.00 33.32 C ATOM 508 CG2 VAL A 32 -14.837 5.648 -0.686 1.00 21.22 C ATOM 0 H VAL A 32 -15.653 4.881 1.673 1.00 40.50 H new ATOM 0 HA VAL A 32 -13.236 6.381 2.308 1.00 44.31 H new ATOM 0 HB VAL A 32 -12.971 6.531 -0.157 1.00 25.44 H new ATOM 0 HG11 VAL A 32 -12.589 4.125 -0.577 1.00 33.32 H new ATOM 0 HG12 VAL A 32 -12.019 4.618 1.035 1.00 33.32 H new ATOM 0 HG13 VAL A 32 -13.551 3.728 0.866 1.00 33.32 H new ATOM 0 HG21 VAL A 32 -14.485 5.280 -1.650 1.00 21.22 H new ATOM 0 HG22 VAL A 32 -15.556 4.942 -0.269 1.00 21.22 H new ATOM 0 HG23 VAL A 32 -15.317 6.617 -0.821 1.00 21.22 H new ATOM 518 N PRO A 33 -13.899 8.783 1.567 1.00 34.42 N ATOM 519 CA PRO A 33 -14.373 10.170 1.413 1.00 52.41 C ATOM 520 C PRO A 33 -14.666 10.543 -0.052 1.00 74.02 C ATOM 521 O PRO A 33 -14.309 9.816 -0.983 1.00 13.03 O ATOM 522 CB PRO A 33 -13.205 10.992 1.966 1.00 63.44 C ATOM 523 CG PRO A 33 -12.000 10.160 1.677 1.00 54.54 C ATOM 524 CD PRO A 33 -12.442 8.724 1.804 1.00 71.12 C ATOM 0 HA PRO A 33 -15.319 10.342 1.927 1.00 52.41 H new ATOM 0 HB2 PRO A 33 -13.141 11.967 1.483 1.00 63.44 H new ATOM 0 HB3 PRO A 33 -13.317 11.173 3.035 1.00 63.44 H new ATOM 0 HG2 PRO A 33 -11.617 10.363 0.677 1.00 54.54 H new ATOM 0 HG3 PRO A 33 -11.195 10.383 2.377 1.00 54.54 H new ATOM 0 HD2 PRO A 33 -11.943 8.086 1.075 1.00 71.12 H new ATOM 0 HD3 PRO A 33 -12.213 8.320 2.790 1.00 71.12 H new ATOM 532 N ALA A 34 -15.315 11.688 -0.252 1.00 0.22 N ATOM 533 CA ALA A 34 -15.682 12.150 -1.595 1.00 72.42 C ATOM 534 C ALA A 34 -14.658 13.147 -2.172 1.00 34.33 C ATOM 535 O ALA A 34 -14.939 13.842 -3.147 1.00 31.11 O ATOM 536 CB ALA A 34 -17.073 12.777 -1.553 1.00 60.20 C ATOM 0 H ALA A 34 -15.600 12.317 0.499 1.00 0.22 H new ATOM 0 HA ALA A 34 -15.686 11.285 -2.258 1.00 72.42 H new ATOM 0 HB1 ALA A 34 -17.347 13.121 -2.550 1.00 60.20 H new ATOM 0 HB2 ALA A 34 -17.796 12.036 -1.213 1.00 60.20 H new ATOM 0 HB3 ALA A 34 -17.070 13.623 -0.866 1.00 60.20 H new ATOM 542 N ASN A 35 -13.463 13.202 -1.578 1.00 75.40 N ATOM 543 CA ASN A 35 -12.414 14.130 -2.034 1.00 22.25 C ATOM 544 C ASN A 35 -11.238 13.376 -2.682 1.00 20.25 C ATOM 545 O ASN A 35 -11.005 13.480 -3.889 1.00 12.05 O ATOM 546 CB ASN A 35 -11.902 14.981 -0.863 1.00 21.12 C ATOM 547 CG ASN A 35 -13.030 15.592 -0.053 1.00 4.34 C ATOM 548 OD1 ASN A 35 -13.522 16.671 -0.359 1.00 53.41 O ATOM 549 ND2 ASN A 35 -13.431 14.916 1.004 1.00 62.22 N ATOM 0 H ASN A 35 -13.195 12.620 -0.784 1.00 75.40 H new ATOM 0 HA ASN A 35 -12.858 14.782 -2.786 1.00 22.25 H new ATOM 0 HB2 ASN A 35 -11.284 14.363 -0.211 1.00 21.12 H new ATOM 0 HB3 ASN A 35 -11.263 15.776 -1.248 1.00 21.12 H new ATOM 0 HD21 ASN A 35 -14.173 15.289 1.596 1.00 62.22 H new ATOM 0 HD22 ASN A 35 -12.999 14.020 1.230 1.00 62.22 H new ATOM 556 N THR A 36 -10.495 12.625 -1.869 1.00 21.11 N ATOM 557 CA THR A 36 -9.323 11.876 -2.347 1.00 35.20 C ATOM 558 C THR A 36 -9.722 10.509 -2.934 1.00 41.10 C ATOM 559 O THR A 36 -10.404 9.720 -2.279 1.00 13.23 O ATOM 560 CB THR A 36 -8.304 11.640 -1.202 1.00 21.31 C ATOM 561 OG1 THR A 36 -8.005 12.874 -0.524 1.00 42.15 O ATOM 562 CG2 THR A 36 -7.012 11.029 -1.736 1.00 55.05 C ATOM 0 H THR A 36 -10.681 12.516 -0.872 1.00 21.11 H new ATOM 0 HA THR A 36 -8.866 12.483 -3.128 1.00 35.20 H new ATOM 0 HB THR A 36 -8.758 10.944 -0.497 1.00 21.31 H new ATOM 0 HG1 THR A 36 -7.362 12.704 0.196 1.00 42.15 H new ATOM 0 HG21 THR A 36 -6.315 10.874 -0.912 1.00 55.05 H new ATOM 0 HG22 THR A 36 -7.231 10.073 -2.211 1.00 55.05 H new ATOM 0 HG23 THR A 36 -6.566 11.703 -2.467 1.00 55.05 H new ATOM 570 N SER A 37 -9.290 10.234 -4.165 1.00 30.50 N ATOM 571 CA SER A 37 -9.570 8.947 -4.824 1.00 45.24 C ATOM 572 C SER A 37 -8.713 7.811 -4.243 1.00 30.44 C ATOM 573 O SER A 37 -7.694 8.057 -3.599 1.00 65.44 O ATOM 574 CB SER A 37 -9.338 9.058 -6.334 1.00 22.31 C ATOM 575 OG SER A 37 -8.001 9.439 -6.629 1.00 15.41 O ATOM 0 H SER A 37 -8.743 10.883 -4.731 1.00 30.50 H new ATOM 0 HA SER A 37 -10.616 8.706 -4.637 1.00 45.24 H new ATOM 0 HB2 SER A 37 -9.558 8.102 -6.808 1.00 22.31 H new ATOM 0 HB3 SER A 37 -10.027 9.789 -6.756 1.00 22.31 H new ATOM 0 HG SER A 37 -7.885 9.499 -7.600 1.00 15.41 H new ATOM 581 N MET A 38 -9.120 6.564 -4.501 1.00 12.23 N ATOM 582 CA MET A 38 -8.497 5.381 -3.880 1.00 32.02 C ATOM 583 C MET A 38 -6.962 5.341 -4.040 1.00 32.34 C ATOM 584 O MET A 38 -6.235 5.253 -3.049 1.00 11.31 O ATOM 585 CB MET A 38 -9.106 4.094 -4.457 1.00 51.13 C ATOM 586 CG MET A 38 -10.586 3.919 -4.148 1.00 63.32 C ATOM 587 SD MET A 38 -11.259 2.388 -4.828 1.00 4.21 S ATOM 588 CE MET A 38 -10.283 1.150 -3.971 1.00 64.14 C ATOM 0 H MET A 38 -9.884 6.343 -5.140 1.00 12.23 H new ATOM 0 HA MET A 38 -8.705 5.454 -2.812 1.00 32.02 H new ATOM 0 HB2 MET A 38 -8.968 4.092 -5.538 1.00 51.13 H new ATOM 0 HB3 MET A 38 -8.559 3.237 -4.064 1.00 51.13 H new ATOM 0 HG2 MET A 38 -10.732 3.928 -3.068 1.00 63.32 H new ATOM 0 HG3 MET A 38 -11.141 4.766 -4.551 1.00 63.32 H new ATOM 0 HE1 MET A 38 -10.791 0.187 -4.021 1.00 64.14 H new ATOM 0 HE2 MET A 38 -9.304 1.068 -4.442 1.00 64.14 H new ATOM 0 HE3 MET A 38 -10.160 1.441 -2.928 1.00 64.14 H new ATOM 598 N SER A 39 -6.478 5.410 -5.280 1.00 41.21 N ATOM 599 CA SER A 39 -5.034 5.287 -5.570 1.00 13.24 C ATOM 600 C SER A 39 -4.182 6.287 -4.768 1.00 30.14 C ATOM 601 O SER A 39 -3.024 6.013 -4.447 1.00 20.43 O ATOM 602 CB SER A 39 -4.774 5.478 -7.071 1.00 12.23 C ATOM 603 OG SER A 39 -5.465 4.503 -7.843 1.00 14.14 O ATOM 0 H SER A 39 -7.059 5.550 -6.107 1.00 41.21 H new ATOM 0 HA SER A 39 -4.737 4.284 -5.265 1.00 13.24 H new ATOM 0 HB2 SER A 39 -5.091 6.476 -7.373 1.00 12.23 H new ATOM 0 HB3 SER A 39 -3.704 5.410 -7.269 1.00 12.23 H new ATOM 0 HG SER A 39 -4.980 3.653 -7.806 1.00 14.14 H new ATOM 609 N ALA A 40 -4.748 7.449 -4.454 1.00 63.34 N ATOM 610 CA ALA A 40 -4.050 8.452 -3.640 1.00 73.01 C ATOM 611 C ALA A 40 -4.380 8.294 -2.144 1.00 42.32 C ATOM 612 O ALA A 40 -3.537 8.531 -1.279 1.00 21.21 O ATOM 613 CB ALA A 40 -4.413 9.852 -4.121 1.00 30.30 C ATOM 0 H ALA A 40 -5.685 7.723 -4.748 1.00 63.34 H new ATOM 0 HA ALA A 40 -2.977 8.298 -3.757 1.00 73.01 H new ATOM 0 HB1 ALA A 40 -3.892 10.592 -3.513 1.00 30.30 H new ATOM 0 HB2 ALA A 40 -4.118 9.966 -5.164 1.00 30.30 H new ATOM 0 HB3 ALA A 40 -5.489 10.000 -4.030 1.00 30.30 H new ATOM 619 N TYR A 41 -5.609 7.874 -1.858 1.00 20.23 N ATOM 620 CA TYR A 41 -6.099 7.720 -0.480 1.00 60.35 C ATOM 621 C TYR A 41 -5.339 6.622 0.278 1.00 20.21 C ATOM 622 O TYR A 41 -4.972 6.792 1.441 1.00 44.55 O ATOM 623 CB TYR A 41 -7.603 7.407 -0.511 1.00 71.13 C ATOM 624 CG TYR A 41 -8.230 7.183 0.854 1.00 22.12 C ATOM 625 CD1 TYR A 41 -8.473 8.249 1.715 1.00 54.13 C ATOM 626 CD2 TYR A 41 -8.577 5.904 1.282 1.00 51.43 C ATOM 627 CE1 TYR A 41 -9.045 8.047 2.957 1.00 2.33 C ATOM 628 CE2 TYR A 41 -9.149 5.696 2.522 1.00 53.15 C ATOM 629 CZ TYR A 41 -9.379 6.770 3.355 1.00 24.14 C ATOM 630 OH TYR A 41 -9.942 6.562 4.595 1.00 44.13 O ATOM 0 H TYR A 41 -6.297 7.629 -2.570 1.00 20.23 H new ATOM 0 HA TYR A 41 -5.926 8.655 0.053 1.00 60.35 H new ATOM 0 HB2 TYR A 41 -8.122 8.229 -1.004 1.00 71.13 H new ATOM 0 HB3 TYR A 41 -7.763 6.518 -1.120 1.00 71.13 H new ATOM 0 HD1 TYR A 41 -8.210 9.250 1.408 1.00 54.13 H new ATOM 0 HD2 TYR A 41 -8.396 5.060 0.633 1.00 51.43 H new ATOM 0 HE1 TYR A 41 -9.229 8.885 3.612 1.00 2.33 H new ATOM 0 HE2 TYR A 41 -9.415 4.698 2.837 1.00 53.15 H new ATOM 0 HH TYR A 41 -10.118 5.606 4.718 1.00 44.13 H new ATOM 640 N ILE A 42 -5.096 5.498 -0.388 1.00 74.32 N ATOM 641 CA ILE A 42 -4.396 4.365 0.226 1.00 64.25 C ATOM 642 C ILE A 42 -2.932 4.714 0.566 1.00 55.43 C ATOM 643 O ILE A 42 -2.314 4.084 1.431 1.00 21.00 O ATOM 644 CB ILE A 42 -4.433 3.124 -0.709 1.00 13.11 C ATOM 645 CG1 ILE A 42 -5.884 2.777 -1.088 1.00 4.33 C ATOM 646 CG2 ILE A 42 -3.754 1.919 -0.055 1.00 75.11 C ATOM 647 CD1 ILE A 42 -6.778 2.458 0.095 1.00 64.21 C ATOM 0 H ILE A 42 -5.373 5.343 -1.357 1.00 74.32 H new ATOM 0 HA ILE A 42 -4.916 4.132 1.155 1.00 64.25 H new ATOM 0 HB ILE A 42 -3.882 3.373 -1.616 1.00 13.11 H new ATOM 0 HG12 ILE A 42 -6.314 3.614 -1.638 1.00 4.33 H new ATOM 0 HG13 ILE A 42 -5.876 1.922 -1.764 1.00 4.33 H new ATOM 0 HG21 ILE A 42 -3.795 1.066 -0.732 1.00 75.11 H new ATOM 0 HG22 ILE A 42 -2.713 2.161 0.161 1.00 75.11 H new ATOM 0 HG23 ILE A 42 -4.269 1.671 0.873 1.00 75.11 H new ATOM 0 HD11 ILE A 42 -7.782 2.225 -0.260 1.00 64.21 H new ATOM 0 HD12 ILE A 42 -6.376 1.601 0.634 1.00 64.21 H new ATOM 0 HD13 ILE A 42 -6.820 3.319 0.762 1.00 64.21 H new ATOM 659 N ARG A 43 -2.396 5.742 -0.095 1.00 61.44 N ATOM 660 CA ARG A 43 -0.993 6.134 0.079 1.00 24.14 C ATOM 661 C ARG A 43 -0.680 6.520 1.538 1.00 53.33 C ATOM 662 O ARG A 43 0.428 6.285 2.022 1.00 23.35 O ATOM 663 CB ARG A 43 -0.634 7.286 -0.879 1.00 41.05 C ATOM 664 CG ARG A 43 0.871 7.527 -1.014 1.00 55.50 C ATOM 665 CD ARG A 43 1.211 8.513 -2.136 1.00 73.22 C ATOM 666 NE ARG A 43 0.947 9.906 -1.770 1.00 14.45 N ATOM 667 CZ ARG A 43 1.474 10.940 -2.380 1.00 63.30 C ATOM 668 NH1 ARG A 43 2.229 10.783 -3.422 1.00 23.01 N ATOM 669 NH2 ARG A 43 1.229 12.136 -1.958 1.00 1.41 N ATOM 0 H ARG A 43 -2.913 6.320 -0.758 1.00 61.44 H new ATOM 0 HA ARG A 43 -0.377 5.269 -0.165 1.00 24.14 H new ATOM 0 HB2 ARG A 43 -1.048 7.070 -1.864 1.00 41.05 H new ATOM 0 HB3 ARG A 43 -1.109 8.201 -0.527 1.00 41.05 H new ATOM 0 HG2 ARG A 43 1.260 7.908 -0.070 1.00 55.50 H new ATOM 0 HG3 ARG A 43 1.372 6.578 -1.205 1.00 55.50 H new ATOM 0 HD2 ARG A 43 2.263 8.405 -2.401 1.00 73.22 H new ATOM 0 HD3 ARG A 43 0.631 8.260 -3.024 1.00 73.22 H new ATOM 0 HE ARG A 43 0.313 10.083 -0.991 1.00 14.45 H new ATOM 0 HH11 ARG A 43 2.420 9.846 -3.777 1.00 23.01 H new ATOM 0 HH12 ARG A 43 2.632 11.596 -3.887 1.00 23.01 H new ATOM 0 HH21 ARG A 43 0.625 12.277 -1.149 1.00 1.41 H new ATOM 0 HH22 ARG A 43 1.640 12.939 -2.434 1.00 1.41 H new ATOM 683 N ARG A 44 -1.663 7.092 2.245 1.00 42.11 N ATOM 684 CA ARG A 44 -1.473 7.458 3.658 1.00 42.43 C ATOM 685 C ARG A 44 -1.344 6.206 4.548 1.00 73.52 C ATOM 686 O ARG A 44 -0.568 6.187 5.500 1.00 43.13 O ATOM 687 CB ARG A 44 -2.629 8.338 4.175 1.00 62.22 C ATOM 688 CG ARG A 44 -3.975 7.618 4.275 1.00 10.13 C ATOM 689 CD ARG A 44 -4.999 8.431 5.068 1.00 22.43 C ATOM 690 NE ARG A 44 -6.296 7.754 5.176 1.00 42.10 N ATOM 691 CZ ARG A 44 -6.583 6.836 6.065 1.00 41.40 C ATOM 692 NH1 ARG A 44 -5.698 6.448 6.926 1.00 21.23 N ATOM 693 NH2 ARG A 44 -7.766 6.314 6.099 1.00 0.23 N ATOM 0 H ARG A 44 -2.586 7.310 1.870 1.00 42.11 H new ATOM 0 HA ARG A 44 -0.546 8.029 3.713 1.00 42.43 H new ATOM 0 HB2 ARG A 44 -2.363 8.724 5.159 1.00 62.22 H new ATOM 0 HB3 ARG A 44 -2.739 9.198 3.514 1.00 62.22 H new ATOM 0 HG2 ARG A 44 -4.360 7.427 3.273 1.00 10.13 H new ATOM 0 HG3 ARG A 44 -3.833 6.648 4.752 1.00 10.13 H new ATOM 0 HD2 ARG A 44 -4.609 8.623 6.068 1.00 22.43 H new ATOM 0 HD3 ARG A 44 -5.138 9.400 4.589 1.00 22.43 H new ATOM 0 HE ARG A 44 -7.025 8.016 4.513 1.00 42.10 H new ATOM 0 HH11 ARG A 44 -4.764 6.858 6.917 1.00 21.23 H new ATOM 0 HH12 ARG A 44 -5.934 5.732 7.613 1.00 21.23 H new ATOM 0 HH21 ARG A 44 -8.477 6.617 5.433 1.00 0.23 H new ATOM 0 HH22 ARG A 44 -7.988 5.599 6.792 1.00 0.23 H new ATOM 707 N ILE A 45 -2.103 5.161 4.216 1.00 0.33 N ATOM 708 CA ILE A 45 -2.133 3.933 5.019 1.00 73.40 C ATOM 709 C ILE A 45 -0.761 3.240 5.041 1.00 34.11 C ATOM 710 O ILE A 45 -0.229 2.924 6.108 1.00 34.41 O ATOM 711 CB ILE A 45 -3.203 2.948 4.480 1.00 51.32 C ATOM 712 CG1 ILE A 45 -4.595 3.608 4.502 1.00 35.13 C ATOM 713 CG2 ILE A 45 -3.201 1.648 5.283 1.00 21.35 C ATOM 714 CD1 ILE A 45 -5.708 2.716 3.984 1.00 3.23 C ATOM 0 H ILE A 45 -2.708 5.138 3.395 1.00 0.33 H new ATOM 0 HA ILE A 45 -2.391 4.221 6.038 1.00 73.40 H new ATOM 0 HB ILE A 45 -2.956 2.701 3.448 1.00 51.32 H new ATOM 0 HG12 ILE A 45 -4.828 3.907 5.524 1.00 35.13 H new ATOM 0 HG13 ILE A 45 -4.564 4.518 3.903 1.00 35.13 H new ATOM 0 HG21 ILE A 45 -3.960 0.974 4.886 1.00 21.35 H new ATOM 0 HG22 ILE A 45 -2.221 1.176 5.209 1.00 21.35 H new ATOM 0 HG23 ILE A 45 -3.420 1.866 6.328 1.00 21.35 H new ATOM 0 HD11 ILE A 45 -6.656 3.252 4.032 1.00 3.23 H new ATOM 0 HD12 ILE A 45 -5.500 2.438 2.951 1.00 3.23 H new ATOM 0 HD13 ILE A 45 -5.769 1.817 4.597 1.00 3.23 H new ATOM 726 N ILE A 46 -0.196 3.009 3.861 1.00 14.32 N ATOM 727 CA ILE A 46 1.121 2.375 3.748 1.00 22.14 C ATOM 728 C ILE A 46 2.239 3.277 4.303 1.00 40.10 C ATOM 729 O ILE A 46 3.176 2.791 4.939 1.00 41.44 O ATOM 730 CB ILE A 46 1.441 1.988 2.280 1.00 30.31 C ATOM 731 CG1 ILE A 46 1.367 3.219 1.356 1.00 43.21 C ATOM 732 CG2 ILE A 46 0.486 0.895 1.802 1.00 63.43 C ATOM 733 CD1 ILE A 46 1.682 2.922 -0.099 1.00 70.25 C ATOM 0 H ILE A 46 -0.625 3.249 2.968 1.00 14.32 H new ATOM 0 HA ILE A 46 1.081 1.467 4.349 1.00 22.14 H new ATOM 0 HB ILE A 46 2.460 1.602 2.241 1.00 30.31 H new ATOM 0 HG12 ILE A 46 0.367 3.648 1.420 1.00 43.21 H new ATOM 0 HG13 ILE A 46 2.062 3.975 1.720 1.00 43.21 H new ATOM 0 HG21 ILE A 46 0.721 0.632 0.771 1.00 63.43 H new ATOM 0 HG22 ILE A 46 0.595 0.014 2.435 1.00 63.43 H new ATOM 0 HG23 ILE A 46 -0.540 1.258 1.859 1.00 63.43 H new ATOM 0 HD11 ILE A 46 1.608 3.840 -0.682 1.00 70.25 H new ATOM 0 HD12 ILE A 46 2.693 2.522 -0.178 1.00 70.25 H new ATOM 0 HD13 ILE A 46 0.971 2.190 -0.483 1.00 70.25 H new ATOM 745 N LEU A 47 2.120 4.590 4.077 1.00 21.31 N ATOM 746 CA LEU A 47 3.113 5.565 4.552 1.00 43.22 C ATOM 747 C LEU A 47 3.342 5.453 6.069 1.00 22.43 C ATOM 748 O LEU A 47 4.476 5.545 6.546 1.00 61.01 O ATOM 749 CB LEU A 47 2.651 6.988 4.199 1.00 12.14 C ATOM 750 CG LEU A 47 3.611 8.120 4.605 1.00 30.24 C ATOM 751 CD1 LEU A 47 4.963 7.966 3.912 1.00 13.32 C ATOM 752 CD2 LEU A 47 2.998 9.486 4.299 1.00 71.22 C ATOM 0 H LEU A 47 1.342 5.006 3.565 1.00 21.31 H new ATOM 0 HA LEU A 47 4.059 5.348 4.056 1.00 43.22 H new ATOM 0 HB2 LEU A 47 2.490 7.042 3.122 1.00 12.14 H new ATOM 0 HB3 LEU A 47 1.687 7.166 4.675 1.00 12.14 H new ATOM 0 HG LEU A 47 3.775 8.053 5.681 1.00 30.24 H new ATOM 0 HD11 LEU A 47 5.622 8.779 4.216 1.00 13.32 H new ATOM 0 HD12 LEU A 47 5.409 7.012 4.193 1.00 13.32 H new ATOM 0 HD13 LEU A 47 4.824 7.997 2.831 1.00 13.32 H new ATOM 0 HD21 LEU A 47 3.694 10.271 4.594 1.00 71.22 H new ATOM 0 HD22 LEU A 47 2.796 9.563 3.231 1.00 71.22 H new ATOM 0 HD23 LEU A 47 2.067 9.599 4.854 1.00 71.22 H new ATOM 764 N ASN A 48 2.262 5.242 6.819 1.00 22.11 N ATOM 765 CA ASN A 48 2.342 5.105 8.280 1.00 20.44 C ATOM 766 C ASN A 48 3.339 4.008 8.702 1.00 44.14 C ATOM 767 O ASN A 48 4.132 4.198 9.622 1.00 20.32 O ATOM 768 CB ASN A 48 0.957 4.804 8.865 1.00 11.43 C ATOM 769 CG ASN A 48 -0.047 5.906 8.573 1.00 10.42 C ATOM 770 OD1 ASN A 48 0.306 7.075 8.460 1.00 71.42 O ATOM 771 ND2 ASN A 48 -1.307 5.546 8.453 1.00 63.35 N ATOM 0 H ASN A 48 1.318 5.161 6.442 1.00 22.11 H new ATOM 0 HA ASN A 48 2.704 6.054 8.675 1.00 20.44 H new ATOM 0 HB2 ASN A 48 0.589 3.863 8.455 1.00 11.43 H new ATOM 0 HB3 ASN A 48 1.042 4.670 9.943 1.00 11.43 H new ATOM 0 HD21 ASN A 48 -2.022 6.248 8.261 1.00 63.35 H new ATOM 0 HD22 ASN A 48 -1.569 4.565 8.552 1.00 63.35 H new ATOM 778 N HIS A 49 3.307 2.868 8.013 1.00 54.10 N ATOM 779 CA HIS A 49 4.206 1.749 8.332 1.00 65.31 C ATOM 780 C HIS A 49 5.666 2.080 7.978 1.00 54.54 C ATOM 781 O HIS A 49 6.592 1.446 8.479 1.00 71.01 O ATOM 782 CB HIS A 49 3.759 0.483 7.594 1.00 23.11 C ATOM 783 CG HIS A 49 4.554 -0.741 7.950 1.00 20.13 C ATOM 784 ND1 HIS A 49 4.268 -1.536 9.040 1.00 44.32 N ATOM 785 CD2 HIS A 49 5.631 -1.310 7.351 1.00 41.15 C ATOM 786 CE1 HIS A 49 5.129 -2.534 9.094 1.00 61.32 C ATOM 787 NE2 HIS A 49 5.964 -2.421 8.081 1.00 75.54 N ATOM 0 H HIS A 49 2.673 2.691 7.234 1.00 54.10 H new ATOM 0 HA HIS A 49 4.153 1.576 9.407 1.00 65.31 H new ATOM 0 HB2 HIS A 49 2.708 0.298 7.814 1.00 23.11 H new ATOM 0 HB3 HIS A 49 3.835 0.654 6.520 1.00 23.11 H new ATOM 0 HD1 HIS A 49 3.508 -1.377 9.702 1.00 44.32 H new ATOM 0 HD2 HIS A 49 6.133 -0.953 6.464 1.00 41.15 H new ATOM 0 HE1 HIS A 49 5.147 -3.312 9.842 1.00 61.32 H new ATOM 796 N LEU A 50 5.866 3.063 7.103 1.00 42.00 N ATOM 797 CA LEU A 50 7.217 3.502 6.732 1.00 34.23 C ATOM 798 C LEU A 50 7.798 4.490 7.761 1.00 72.53 C ATOM 799 O LEU A 50 8.813 4.202 8.400 1.00 40.24 O ATOM 800 CB LEU A 50 7.226 4.136 5.326 1.00 15.30 C ATOM 801 CG LEU A 50 7.292 3.151 4.140 1.00 42.23 C ATOM 802 CD1 LEU A 50 8.587 2.344 4.178 1.00 20.23 C ATOM 803 CD2 LEU A 50 6.079 2.224 4.122 1.00 11.11 C ATOM 0 H LEU A 50 5.115 3.572 6.637 1.00 42.00 H new ATOM 0 HA LEU A 50 7.850 2.614 6.721 1.00 34.23 H new ATOM 0 HB2 LEU A 50 6.328 4.744 5.218 1.00 15.30 H new ATOM 0 HB3 LEU A 50 8.079 4.812 5.259 1.00 15.30 H new ATOM 0 HG LEU A 50 7.279 3.736 3.221 1.00 42.23 H new ATOM 0 HD11 LEU A 50 8.612 1.656 3.333 1.00 20.23 H new ATOM 0 HD12 LEU A 50 9.439 3.021 4.120 1.00 20.23 H new ATOM 0 HD13 LEU A 50 8.636 1.778 5.108 1.00 20.23 H new ATOM 0 HD21 LEU A 50 6.155 1.542 3.275 1.00 11.11 H new ATOM 0 HD22 LEU A 50 6.046 1.650 5.048 1.00 11.11 H new ATOM 0 HD23 LEU A 50 5.169 2.817 4.030 1.00 11.11 H new ATOM 815 N GLU A 51 7.149 5.647 7.925 1.00 31.32 N ATOM 816 CA GLU A 51 7.660 6.698 8.820 1.00 44.14 C ATOM 817 C GLU A 51 7.397 6.397 10.309 1.00 33.03 C ATOM 818 O GLU A 51 8.309 6.490 11.131 1.00 25.11 O ATOM 819 CB GLU A 51 7.084 8.069 8.437 1.00 71.43 C ATOM 820 CG GLU A 51 5.564 8.115 8.317 1.00 61.04 C ATOM 821 CD GLU A 51 5.053 9.521 8.040 1.00 1.22 C ATOM 822 OE1 GLU A 51 5.338 10.062 6.948 1.00 2.03 O ATOM 823 OE2 GLU A 51 4.394 10.107 8.926 1.00 73.30 O ATOM 0 H GLU A 51 6.275 5.882 7.455 1.00 31.32 H new ATOM 0 HA GLU A 51 8.742 6.718 8.689 1.00 44.14 H new ATOM 0 HB2 GLU A 51 7.398 8.800 9.182 1.00 71.43 H new ATOM 0 HB3 GLU A 51 7.519 8.377 7.486 1.00 71.43 H new ATOM 0 HG2 GLU A 51 5.244 7.449 7.516 1.00 61.04 H new ATOM 0 HG3 GLU A 51 5.117 7.742 9.239 1.00 61.04 H new ATOM 830 N ASP A 52 6.160 6.043 10.667 1.00 14.40 N ATOM 831 CA ASP A 52 5.843 5.732 12.067 1.00 10.24 C ATOM 832 C ASP A 52 6.564 4.447 12.507 1.00 22.02 C ATOM 833 O ASP A 52 7.200 4.406 13.562 1.00 3.30 O ATOM 834 CB ASP A 52 4.327 5.601 12.267 1.00 75.42 C ATOM 835 CG ASP A 52 3.947 5.534 13.736 1.00 4.41 C ATOM 836 OD1 ASP A 52 4.044 6.574 14.423 1.00 34.45 O ATOM 837 OD2 ASP A 52 3.554 4.450 14.215 1.00 33.14 O ATOM 0 H ASP A 52 5.374 5.965 10.022 1.00 14.40 H new ATOM 0 HA ASP A 52 6.195 6.555 12.690 1.00 10.24 H new ATOM 0 HB2 ASP A 52 3.826 6.450 11.802 1.00 75.42 H new ATOM 0 HB3 ASP A 52 3.971 4.704 11.760 1.00 75.42 H new ATOM 1022 N ASP B 212 -7.041 -14.766 -4.879 1.00 74.44 N ATOM 1023 CA ASP B 212 -8.231 -14.150 -4.264 1.00 33.24 C ATOM 1024 C ASP B 212 -8.186 -12.610 -4.313 1.00 1.12 C ATOM 1025 O ASP B 212 -9.177 -11.944 -4.017 1.00 73.42 O ATOM 1026 CB ASP B 212 -8.342 -14.598 -2.800 1.00 32.31 C ATOM 1027 CG ASP B 212 -7.829 -16.008 -2.592 1.00 45.53 C ATOM 1028 OD1 ASP B 212 -6.596 -16.174 -2.488 1.00 34.15 O ATOM 1029 OD2 ASP B 212 -8.640 -16.948 -2.553 1.00 22.42 O ATOM 0 HA ASP B 212 -9.098 -14.478 -4.837 1.00 33.24 H new ATOM 0 HB2 ASP B 212 -7.779 -13.911 -2.168 1.00 32.31 H new ATOM 0 HB3 ASP B 212 -9.383 -14.542 -2.483 1.00 32.31 H new ATOM 1034 N THR B 213 -7.039 -12.049 -4.685 1.00 30.20 N ATOM 1035 CA THR B 213 -6.807 -10.601 -4.558 1.00 2.43 C ATOM 1036 C THR B 213 -7.011 -9.837 -5.876 1.00 3.11 C ATOM 1037 O THR B 213 -6.549 -10.262 -6.934 1.00 64.21 O ATOM 1038 CB THR B 213 -5.379 -10.316 -4.045 1.00 63.01 C ATOM 1039 OG1 THR B 213 -4.407 -10.815 -4.980 1.00 63.32 O ATOM 1040 CG2 THR B 213 -5.147 -10.956 -2.680 1.00 52.44 C ATOM 0 H THR B 213 -6.253 -12.568 -5.077 1.00 30.20 H new ATOM 0 HA THR B 213 -7.549 -10.248 -3.843 1.00 2.43 H new ATOM 0 HB THR B 213 -5.269 -9.236 -3.946 1.00 63.01 H new ATOM 0 HG1 THR B 213 -3.505 -10.627 -4.646 1.00 63.32 H new ATOM 0 HG21 THR B 213 -4.133 -10.739 -2.344 1.00 52.44 H new ATOM 0 HG22 THR B 213 -5.862 -10.552 -1.963 1.00 52.44 H new ATOM 0 HG23 THR B 213 -5.280 -12.035 -2.757 1.00 52.44 H new ATOM 1048 N LYS B 214 -7.693 -8.694 -5.790 1.00 21.12 N ATOM 1049 CA LYS B 214 -7.917 -7.810 -6.943 1.00 44.42 C ATOM 1050 C LYS B 214 -6.782 -6.770 -7.076 1.00 32.21 C ATOM 1051 O LYS B 214 -6.266 -6.275 -6.072 1.00 73.04 O ATOM 1052 CB LYS B 214 -9.268 -7.089 -6.796 1.00 0.12 C ATOM 1053 CG LYS B 214 -10.474 -8.024 -6.711 1.00 43.24 C ATOM 1054 CD LYS B 214 -10.710 -8.783 -8.018 1.00 35.14 C ATOM 1055 CE LYS B 214 -11.087 -7.846 -9.166 1.00 74.33 C ATOM 1056 NZ LYS B 214 -12.371 -7.135 -8.910 1.00 71.12 N ATOM 0 H LYS B 214 -8.106 -8.352 -4.922 1.00 21.12 H new ATOM 0 HA LYS B 214 -7.927 -8.423 -7.844 1.00 44.42 H new ATOM 0 HB2 LYS B 214 -9.240 -6.469 -5.900 1.00 0.12 H new ATOM 0 HB3 LYS B 214 -9.403 -6.418 -7.644 1.00 0.12 H new ATOM 0 HG2 LYS B 214 -10.322 -8.737 -5.901 1.00 43.24 H new ATOM 0 HG3 LYS B 214 -11.364 -7.445 -6.463 1.00 43.24 H new ATOM 0 HD2 LYS B 214 -9.809 -9.337 -8.283 1.00 35.14 H new ATOM 0 HD3 LYS B 214 -11.504 -9.516 -7.873 1.00 35.14 H new ATOM 0 HE2 LYS B 214 -10.292 -7.115 -9.313 1.00 74.33 H new ATOM 0 HE3 LYS B 214 -11.168 -8.419 -10.090 1.00 74.33 H new ATOM 0 HZ1 LYS B 214 -12.683 -6.658 -9.780 1.00 71.12 H new ATOM 0 HZ2 LYS B 214 -13.094 -7.821 -8.612 1.00 71.12 H new ATOM 0 HZ3 LYS B 214 -12.233 -6.429 -8.159 1.00 71.12 H new ATOM 1070 N PRO B 215 -6.379 -6.423 -8.318 1.00 52.14 N ATOM 1071 CA PRO B 215 -5.280 -5.469 -8.568 1.00 73.33 C ATOM 1072 C PRO B 215 -5.654 -4.003 -8.268 1.00 13.24 C ATOM 1073 O PRO B 215 -6.556 -3.438 -8.888 1.00 33.31 O ATOM 1074 CB PRO B 215 -4.976 -5.648 -10.075 1.00 31.25 C ATOM 1075 CG PRO B 215 -5.771 -6.842 -10.511 1.00 12.50 C ATOM 1076 CD PRO B 215 -6.941 -6.933 -9.575 1.00 4.34 C ATOM 0 HA PRO B 215 -4.432 -5.671 -7.914 1.00 73.33 H new ATOM 0 HB2 PRO B 215 -5.261 -4.760 -10.640 1.00 31.25 H new ATOM 0 HB3 PRO B 215 -3.911 -5.804 -10.243 1.00 31.25 H new ATOM 0 HG2 PRO B 215 -6.106 -6.731 -11.542 1.00 12.50 H new ATOM 0 HG3 PRO B 215 -5.167 -7.748 -10.468 1.00 12.50 H new ATOM 0 HD2 PRO B 215 -7.783 -6.331 -9.917 1.00 4.34 H new ATOM 0 HD3 PRO B 215 -7.301 -7.957 -9.473 1.00 4.34 H new ATOM 1084 N VAL B 216 -4.954 -3.393 -7.310 1.00 61.41 N ATOM 1085 CA VAL B 216 -5.139 -1.971 -6.983 1.00 61.23 C ATOM 1086 C VAL B 216 -3.827 -1.184 -7.174 1.00 15.42 C ATOM 1087 O VAL B 216 -2.817 -1.476 -6.537 1.00 3.22 O ATOM 1088 CB VAL B 216 -5.633 -1.787 -5.522 1.00 71.50 C ATOM 1089 CG1 VAL B 216 -5.883 -0.311 -5.206 1.00 51.20 C ATOM 1090 CG2 VAL B 216 -6.889 -2.621 -5.260 1.00 53.21 C ATOM 0 H VAL B 216 -4.249 -3.862 -6.742 1.00 61.41 H new ATOM 0 HA VAL B 216 -5.895 -1.583 -7.665 1.00 61.23 H new ATOM 0 HB VAL B 216 -4.846 -2.143 -4.857 1.00 71.50 H new ATOM 0 HG11 VAL B 216 -6.228 -0.213 -4.177 1.00 51.20 H new ATOM 0 HG12 VAL B 216 -4.957 0.250 -5.334 1.00 51.20 H new ATOM 0 HG13 VAL B 216 -6.642 0.082 -5.882 1.00 51.20 H new ATOM 0 HG21 VAL B 216 -7.215 -2.475 -4.230 1.00 53.21 H new ATOM 0 HG22 VAL B 216 -7.682 -2.308 -5.939 1.00 53.21 H new ATOM 0 HG23 VAL B 216 -6.666 -3.675 -5.424 1.00 53.21 H new ATOM 1100 N VAL B 217 -3.846 -0.188 -8.058 1.00 21.42 N ATOM 1101 CA VAL B 217 -2.650 0.621 -8.340 1.00 13.03 C ATOM 1102 C VAL B 217 -2.484 1.760 -7.319 1.00 30.43 C ATOM 1103 O VAL B 217 -3.393 2.569 -7.122 1.00 3.44 O ATOM 1104 CB VAL B 217 -2.699 1.218 -9.771 1.00 71.33 C ATOM 1105 CG1 VAL B 217 -1.440 2.034 -10.071 1.00 54.33 C ATOM 1106 CG2 VAL B 217 -2.886 0.110 -10.805 1.00 24.02 C ATOM 0 H VAL B 217 -4.672 0.082 -8.593 1.00 21.42 H new ATOM 0 HA VAL B 217 -1.793 -0.048 -8.262 1.00 13.03 H new ATOM 0 HB VAL B 217 -3.554 1.892 -9.828 1.00 71.33 H new ATOM 0 HG11 VAL B 217 -1.502 2.440 -11.081 1.00 54.33 H new ATOM 0 HG12 VAL B 217 -1.357 2.852 -9.355 1.00 54.33 H new ATOM 0 HG13 VAL B 217 -0.563 1.392 -9.991 1.00 54.33 H new ATOM 0 HG21 VAL B 217 -2.918 0.546 -11.804 1.00 24.02 H new ATOM 0 HG22 VAL B 217 -2.054 -0.591 -10.742 1.00 24.02 H new ATOM 0 HG23 VAL B 217 -3.820 -0.417 -10.609 1.00 24.02 H new ATOM 1116 N VAL B 218 -1.311 1.824 -6.687 1.00 30.22 N ATOM 1117 CA VAL B 218 -1.015 2.843 -5.667 1.00 71.41 C ATOM 1118 C VAL B 218 0.409 3.419 -5.871 1.00 4.34 C ATOM 1119 O VAL B 218 1.086 3.078 -6.841 1.00 74.32 O ATOM 1120 CB VAL B 218 -1.165 2.235 -4.239 1.00 14.50 C ATOM 1121 CG1 VAL B 218 -0.007 1.295 -3.916 1.00 71.21 C ATOM 1122 CG2 VAL B 218 -1.316 3.324 -3.171 1.00 14.24 C ATOM 0 H VAL B 218 -0.541 1.178 -6.863 1.00 30.22 H new ATOM 0 HA VAL B 218 -1.729 3.660 -5.772 1.00 71.41 H new ATOM 0 HB VAL B 218 -2.083 1.647 -4.230 1.00 14.50 H new ATOM 0 HG11 VAL B 218 -0.139 0.886 -2.914 1.00 71.21 H new ATOM 0 HG12 VAL B 218 0.014 0.481 -4.640 1.00 71.21 H new ATOM 0 HG13 VAL B 218 0.933 1.846 -3.963 1.00 71.21 H new ATOM 0 HG21 VAL B 218 -1.418 2.860 -2.190 1.00 14.24 H new ATOM 0 HG22 VAL B 218 -0.435 3.966 -3.179 1.00 14.24 H new ATOM 0 HG23 VAL B 218 -2.202 3.922 -3.383 1.00 14.24 H new ATOM 1132 N ARG B 219 0.855 4.307 -4.977 1.00 24.42 N ATOM 1133 CA ARG B 219 2.196 4.910 -5.073 1.00 50.51 C ATOM 1134 C ARG B 219 2.900 4.979 -3.700 1.00 73.31 C ATOM 1135 O ARG B 219 2.253 5.139 -2.667 1.00 34.02 O ATOM 1136 CB ARG B 219 2.095 6.322 -5.668 1.00 45.10 C ATOM 1137 CG ARG B 219 1.790 6.360 -7.164 1.00 72.53 C ATOM 1138 CD ARG B 219 1.609 7.794 -7.655 1.00 32.20 C ATOM 1139 NE ARG B 219 1.565 7.882 -9.114 1.00 24.01 N ATOM 1140 CZ ARG B 219 0.477 8.067 -9.817 1.00 3.42 C ATOM 1141 NH1 ARG B 219 -0.682 8.122 -9.246 1.00 53.10 N ATOM 1142 NH2 ARG B 219 0.560 8.195 -11.099 1.00 55.12 N ATOM 0 H ARG B 219 0.310 4.627 -4.177 1.00 24.42 H new ATOM 0 HA ARG B 219 2.794 4.272 -5.724 1.00 50.51 H new ATOM 0 HB2 ARG B 219 1.317 6.871 -5.138 1.00 45.10 H new ATOM 0 HB3 ARG B 219 3.034 6.846 -5.488 1.00 45.10 H new ATOM 0 HG2 ARG B 219 2.601 5.884 -7.715 1.00 72.53 H new ATOM 0 HG3 ARG B 219 0.886 5.786 -7.368 1.00 72.53 H new ATOM 0 HD2 ARG B 219 0.687 8.203 -7.241 1.00 32.20 H new ATOM 0 HD3 ARG B 219 2.427 8.409 -7.281 1.00 32.20 H new ATOM 0 HE ARG B 219 2.446 7.793 -9.620 1.00 24.01 H new ATOM 0 HH11 ARG B 219 -0.757 8.021 -8.234 1.00 53.10 H new ATOM 0 HH12 ARG B 219 -1.521 8.267 -9.808 1.00 53.10 H new ATOM 0 HH21 ARG B 219 1.470 8.152 -11.558 1.00 55.12 H new ATOM 0 HH22 ARG B 219 -0.284 8.339 -11.653 1.00 55.12 H new ATOM 1156 N LEU B 220 4.234 4.873 -3.706 1.00 24.05 N ATOM 1157 CA LEU B 220 5.039 4.986 -2.474 1.00 13.12 C ATOM 1158 C LEU B 220 6.318 5.818 -2.728 1.00 32.35 C ATOM 1159 O LEU B 220 6.840 5.842 -3.842 1.00 4.33 O ATOM 1160 CB LEU B 220 5.398 3.585 -1.944 1.00 21.52 C ATOM 1161 CG LEU B 220 6.123 3.551 -0.584 1.00 43.41 C ATOM 1162 CD1 LEU B 220 5.278 4.209 0.510 1.00 33.52 C ATOM 1163 CD2 LEU B 220 6.477 2.113 -0.202 1.00 20.51 C ATOM 0 H LEU B 220 4.784 4.709 -4.549 1.00 24.05 H new ATOM 0 HA LEU B 220 4.446 5.503 -1.719 1.00 13.12 H new ATOM 0 HB2 LEU B 220 4.481 3.002 -1.861 1.00 21.52 H new ATOM 0 HB3 LEU B 220 6.026 3.087 -2.683 1.00 21.52 H new ATOM 0 HG LEU B 220 7.047 4.122 -0.680 1.00 43.41 H new ATOM 0 HD11 LEU B 220 5.815 4.170 1.458 1.00 33.52 H new ATOM 0 HD12 LEU B 220 5.085 5.249 0.245 1.00 33.52 H new ATOM 0 HD13 LEU B 220 4.331 3.678 0.607 1.00 33.52 H new ATOM 0 HD21 LEU B 220 6.988 2.108 0.761 1.00 20.51 H new ATOM 0 HD22 LEU B 220 5.565 1.520 -0.132 1.00 20.51 H new ATOM 0 HD23 LEU B 220 7.130 1.685 -0.962 1.00 20.51 H new ATOM 1175 N TYR B 221 6.807 6.509 -1.694 1.00 61.51 N ATOM 1176 CA TYR B 221 7.967 7.409 -1.829 1.00 22.03 C ATOM 1177 C TYR B 221 9.274 6.647 -2.144 1.00 41.13 C ATOM 1178 O TYR B 221 9.711 5.801 -1.365 1.00 65.33 O ATOM 1179 CB TYR B 221 8.133 8.259 -0.558 1.00 72.31 C ATOM 1180 CG TYR B 221 7.050 9.311 -0.392 1.00 40.20 C ATOM 1181 CD1 TYR B 221 7.139 10.525 -1.063 1.00 13.13 C ATOM 1182 CD2 TYR B 221 5.939 9.092 0.418 1.00 20.54 C ATOM 1183 CE1 TYR B 221 6.163 11.492 -0.930 1.00 15.23 C ATOM 1184 CE2 TYR B 221 4.954 10.056 0.553 1.00 64.24 C ATOM 1185 CZ TYR B 221 5.072 11.254 -0.124 1.00 42.21 C ATOM 1186 OH TYR B 221 4.096 12.215 -0.002 1.00 15.24 O ATOM 0 H TYR B 221 6.420 6.465 -0.751 1.00 61.51 H new ATOM 0 HA TYR B 221 7.769 8.064 -2.678 1.00 22.03 H new ATOM 0 HB2 TYR B 221 8.129 7.603 0.312 1.00 72.31 H new ATOM 0 HB3 TYR B 221 9.106 8.750 -0.582 1.00 72.31 H new ATOM 0 HD1 TYR B 221 7.989 10.716 -1.701 1.00 13.13 H new ATOM 0 HD2 TYR B 221 5.844 8.156 0.949 1.00 20.54 H new ATOM 0 HE1 TYR B 221 6.255 12.431 -1.456 1.00 15.23 H new ATOM 0 HE2 TYR B 221 4.098 9.872 1.185 1.00 64.24 H new ATOM 0 HH TYR B 221 3.921 12.617 -0.879 1.00 15.24 H new ATOM 1196 N PRO B 222 9.933 6.980 -3.281 1.00 34.44 N ATOM 1197 CA PRO B 222 11.131 6.260 -3.775 1.00 24.23 C ATOM 1198 C PRO B 222 12.231 6.079 -2.715 1.00 53.53 C ATOM 1199 O PRO B 222 12.834 5.007 -2.609 1.00 43.34 O ATOM 1200 CB PRO B 222 11.639 7.150 -4.928 1.00 12.20 C ATOM 1201 CG PRO B 222 10.900 8.441 -4.790 1.00 72.01 C ATOM 1202 CD PRO B 222 9.575 8.088 -4.176 1.00 32.14 C ATOM 0 HA PRO B 222 10.877 5.242 -4.071 1.00 24.23 H new ATOM 0 HB2 PRO B 222 12.716 7.305 -4.859 1.00 12.20 H new ATOM 0 HB3 PRO B 222 11.444 6.688 -5.896 1.00 12.20 H new ATOM 0 HG2 PRO B 222 11.449 9.141 -4.160 1.00 72.01 H new ATOM 0 HG3 PRO B 222 10.767 8.921 -5.759 1.00 72.01 H new ATOM 0 HD2 PRO B 222 9.142 8.927 -3.632 1.00 32.14 H new ATOM 0 HD3 PRO B 222 8.846 7.785 -4.927 1.00 32.14 H new ATOM 1210 N ASP B 223 12.493 7.135 -1.950 1.00 11.20 N ATOM 1211 CA ASP B 223 13.491 7.093 -0.879 1.00 54.22 C ATOM 1212 C ASP B 223 13.211 5.946 0.108 1.00 64.21 C ATOM 1213 O ASP B 223 14.066 5.089 0.349 1.00 41.33 O ATOM 1214 CB ASP B 223 13.502 8.437 -0.144 1.00 70.45 C ATOM 1215 CG ASP B 223 14.442 8.442 1.048 1.00 22.54 C ATOM 1216 OD1 ASP B 223 15.671 8.415 0.841 1.00 65.52 O ATOM 1217 OD2 ASP B 223 13.957 8.480 2.198 1.00 21.40 O ATOM 0 H ASP B 223 12.026 8.036 -2.051 1.00 11.20 H new ATOM 0 HA ASP B 223 14.469 6.909 -1.324 1.00 54.22 H new ATOM 0 HB2 ASP B 223 13.797 9.224 -0.838 1.00 70.45 H new ATOM 0 HB3 ASP B 223 12.492 8.671 0.193 1.00 70.45 H new ATOM 1222 N GLU B 224 11.997 5.925 0.650 1.00 52.44 N ATOM 1223 CA GLU B 224 11.614 4.927 1.647 1.00 34.14 C ATOM 1224 C GLU B 224 11.388 3.543 1.018 1.00 64.44 C ATOM 1225 O GLU B 224 11.435 2.533 1.716 1.00 60.34 O ATOM 1226 CB GLU B 224 10.367 5.392 2.415 1.00 14.20 C ATOM 1227 CG GLU B 224 10.550 6.752 3.088 1.00 71.15 C ATOM 1228 CD GLU B 224 9.483 7.060 4.128 1.00 42.14 C ATOM 1229 OE1 GLU B 224 8.420 7.599 3.759 1.00 42.32 O ATOM 1230 OE2 GLU B 224 9.723 6.779 5.322 1.00 43.23 O ATOM 0 H GLU B 224 11.259 6.589 0.416 1.00 52.44 H new ATOM 0 HA GLU B 224 12.441 4.826 2.350 1.00 34.14 H new ATOM 0 HB2 GLU B 224 9.523 5.444 1.728 1.00 14.20 H new ATOM 0 HB3 GLU B 224 10.116 4.649 3.172 1.00 14.20 H new ATOM 0 HG2 GLU B 224 11.530 6.785 3.563 1.00 71.15 H new ATOM 0 HG3 GLU B 224 10.539 7.531 2.325 1.00 71.15 H new ATOM 1237 N ILE B 225 11.151 3.494 -0.296 1.00 23.04 N ATOM 1238 CA ILE B 225 11.053 2.213 -1.016 1.00 23.24 C ATOM 1239 C ILE B 225 12.387 1.452 -0.965 1.00 22.00 C ATOM 1240 O ILE B 225 12.448 0.298 -0.524 1.00 54.24 O ATOM 1241 CB ILE B 225 10.645 2.411 -2.502 1.00 72.31 C ATOM 1242 CG1 ILE B 225 9.226 2.989 -2.604 1.00 43.20 C ATOM 1243 CG2 ILE B 225 10.745 1.094 -3.277 1.00 64.10 C ATOM 1244 CD1 ILE B 225 8.756 3.209 -4.028 1.00 3.12 C ATOM 0 H ILE B 225 11.024 4.318 -0.883 1.00 23.04 H new ATOM 0 HA ILE B 225 10.278 1.634 -0.515 1.00 23.24 H new ATOM 0 HB ILE B 225 11.339 3.123 -2.949 1.00 72.31 H new ATOM 0 HG12 ILE B 225 8.532 2.314 -2.102 1.00 43.20 H new ATOM 0 HG13 ILE B 225 9.191 3.938 -2.069 1.00 43.20 H new ATOM 0 HG21 ILE B 225 10.454 1.259 -4.314 1.00 64.10 H new ATOM 0 HG22 ILE B 225 11.771 0.728 -3.242 1.00 64.10 H new ATOM 0 HG23 ILE B 225 10.081 0.356 -2.827 1.00 64.10 H new ATOM 0 HD11 ILE B 225 7.746 3.619 -4.019 1.00 3.12 H new ATOM 0 HD12 ILE B 225 9.426 3.908 -4.529 1.00 3.12 H new ATOM 0 HD13 ILE B 225 8.757 2.259 -4.562 1.00 3.12 H new ATOM 1256 N GLU B 226 13.458 2.107 -1.412 1.00 3.11 N ATOM 1257 CA GLU B 226 14.791 1.495 -1.422 1.00 1.22 C ATOM 1258 C GLU B 226 15.319 1.292 0.009 1.00 42.21 C ATOM 1259 O GLU B 226 16.075 0.359 0.277 1.00 64.30 O ATOM 1260 CB GLU B 226 15.760 2.344 -2.259 1.00 31.13 C ATOM 1261 CG GLU B 226 17.127 1.701 -2.470 1.00 14.31 C ATOM 1262 CD GLU B 226 17.945 2.407 -3.540 1.00 12.32 C ATOM 1263 OE1 GLU B 226 18.607 3.414 -3.227 1.00 43.44 O ATOM 1264 OE2 GLU B 226 17.910 1.965 -4.710 1.00 30.13 O ATOM 0 H GLU B 226 13.431 3.061 -1.772 1.00 3.11 H new ATOM 0 HA GLU B 226 14.715 0.510 -1.883 1.00 1.22 H new ATOM 0 HB2 GLU B 226 15.308 2.539 -3.231 1.00 31.13 H new ATOM 0 HB3 GLU B 226 15.896 3.309 -1.771 1.00 31.13 H new ATOM 0 HG2 GLU B 226 17.679 1.711 -1.530 1.00 14.31 H new ATOM 0 HG3 GLU B 226 16.994 0.656 -2.750 1.00 14.31 H new ATOM 1271 N ALA B 227 14.903 2.161 0.927 1.00 31.32 N ATOM 1272 CA ALA B 227 15.212 1.982 2.349 1.00 22.14 C ATOM 1273 C ALA B 227 14.457 0.772 2.928 1.00 34.44 C ATOM 1274 O ALA B 227 14.998 0.014 3.734 1.00 60.41 O ATOM 1275 CB ALA B 227 14.864 3.250 3.125 1.00 65.44 C ATOM 0 H ALA B 227 14.353 2.994 0.716 1.00 31.32 H new ATOM 0 HA ALA B 227 16.281 1.791 2.447 1.00 22.14 H new ATOM 0 HB1 ALA B 227 15.097 3.106 4.180 1.00 65.44 H new ATOM 0 HB2 ALA B 227 15.445 4.086 2.735 1.00 65.44 H new ATOM 0 HB3 ALA B 227 13.801 3.464 3.014 1.00 65.44 H new ATOM 1281 N LEU B 228 13.210 0.589 2.491 1.00 40.51 N ATOM 1282 CA LEU B 228 12.363 -0.509 2.967 1.00 45.13 C ATOM 1283 C LEU B 228 12.933 -1.884 2.583 1.00 3.01 C ATOM 1284 O LEU B 228 12.954 -2.800 3.404 1.00 14.14 O ATOM 1285 CB LEU B 228 10.940 -0.367 2.408 1.00 14.40 C ATOM 1286 CG LEU B 228 9.927 -1.426 2.883 1.00 1.23 C ATOM 1287 CD1 LEU B 228 9.750 -1.372 4.399 1.00 4.44 C ATOM 1288 CD2 LEU B 228 8.586 -1.247 2.173 1.00 61.00 C ATOM 0 H LEU B 228 12.760 1.192 1.802 1.00 40.51 H new ATOM 0 HA LEU B 228 12.338 -0.447 4.055 1.00 45.13 H new ATOM 0 HB2 LEU B 228 10.560 0.619 2.677 1.00 14.40 H new ATOM 0 HB3 LEU B 228 10.992 -0.403 1.320 1.00 14.40 H new ATOM 0 HG LEU B 228 10.320 -2.409 2.626 1.00 1.23 H new ATOM 0 HD11 LEU B 228 9.030 -2.129 4.708 1.00 4.44 H new ATOM 0 HD12 LEU B 228 10.707 -1.562 4.884 1.00 4.44 H new ATOM 0 HD13 LEU B 228 9.386 -0.386 4.688 1.00 4.44 H new ATOM 0 HD21 LEU B 228 7.885 -2.005 2.523 1.00 61.00 H new ATOM 0 HD22 LEU B 228 8.188 -0.256 2.392 1.00 61.00 H new ATOM 0 HD23 LEU B 228 8.727 -1.352 1.097 1.00 61.00 H new ATOM 1300 N LYS B 229 13.402 -2.029 1.342 1.00 51.11 N ATOM 1301 CA LYS B 229 13.937 -3.321 0.878 1.00 23.21 C ATOM 1302 C LYS B 229 15.161 -3.762 1.706 1.00 74.15 C ATOM 1303 O LYS B 229 15.518 -4.938 1.720 1.00 4.03 O ATOM 1304 CB LYS B 229 14.299 -3.269 -0.614 1.00 65.34 C ATOM 1305 CG LYS B 229 15.453 -2.328 -0.949 1.00 13.11 C ATOM 1306 CD LYS B 229 15.833 -2.387 -2.428 1.00 74.44 C ATOM 1307 CE LYS B 229 14.671 -1.993 -3.333 1.00 21.04 C ATOM 1308 NZ LYS B 229 15.042 -2.060 -4.772 1.00 23.42 N ATOM 0 H LYS B 229 13.425 -1.284 0.646 1.00 51.11 H new ATOM 0 HA LYS B 229 13.149 -4.060 1.019 1.00 23.21 H new ATOM 0 HB2 LYS B 229 14.557 -4.274 -0.948 1.00 65.34 H new ATOM 0 HB3 LYS B 229 13.419 -2.961 -1.179 1.00 65.34 H new ATOM 0 HG2 LYS B 229 15.175 -1.307 -0.687 1.00 13.11 H new ATOM 0 HG3 LYS B 229 16.320 -2.588 -0.342 1.00 13.11 H new ATOM 0 HD2 LYS B 229 16.677 -1.723 -2.612 1.00 74.44 H new ATOM 0 HD3 LYS B 229 16.161 -3.396 -2.678 1.00 74.44 H new ATOM 0 HE2 LYS B 229 13.824 -2.653 -3.145 1.00 21.04 H new ATOM 0 HE3 LYS B 229 14.347 -0.982 -3.088 1.00 21.04 H new ATOM 0 HZ1 LYS B 229 14.225 -1.785 -5.354 1.00 23.42 H new ATOM 0 HZ2 LYS B 229 15.833 -1.411 -4.957 1.00 23.42 H new ATOM 0 HZ3 LYS B 229 15.327 -3.031 -5.012 1.00 23.42 H new ATOM 1322 N SER B 230 15.793 -2.816 2.401 1.00 41.13 N ATOM 1323 CA SER B 230 16.938 -3.125 3.276 1.00 34.24 C ATOM 1324 C SER B 230 16.489 -3.763 4.603 1.00 44.30 C ATOM 1325 O SER B 230 17.314 -4.265 5.370 1.00 10.23 O ATOM 1326 CB SER B 230 17.751 -1.853 3.569 1.00 62.43 C ATOM 1327 OG SER B 230 18.824 -2.115 4.470 1.00 51.10 O ATOM 0 H SER B 230 15.536 -1.829 2.379 1.00 41.13 H new ATOM 0 HA SER B 230 17.562 -3.844 2.746 1.00 34.24 H new ATOM 0 HB2 SER B 230 18.147 -1.450 2.637 1.00 62.43 H new ATOM 0 HB3 SER B 230 17.097 -1.091 3.993 1.00 62.43 H new ATOM 0 HG SER B 230 18.654 -2.954 4.946 1.00 51.10 H new ATOM 1333 N ARG B 231 15.184 -3.743 4.877 1.00 70.14 N ATOM 1334 CA ARG B 231 14.650 -4.282 6.138 1.00 71.40 C ATOM 1335 C ARG B 231 13.520 -5.308 5.916 1.00 53.11 C ATOM 1336 O ARG B 231 12.860 -5.722 6.870 1.00 25.11 O ATOM 1337 CB ARG B 231 14.157 -3.135 7.037 1.00 33.40 C ATOM 1338 CG ARG B 231 13.048 -2.284 6.422 1.00 51.25 C ATOM 1339 CD ARG B 231 12.638 -1.128 7.334 1.00 54.32 C ATOM 1340 NE ARG B 231 12.111 -1.592 8.619 1.00 21.42 N ATOM 1341 CZ ARG B 231 11.360 -0.870 9.414 1.00 11.13 C ATOM 1342 NH1 ARG B 231 11.050 0.350 9.111 1.00 54.10 N ATOM 1343 NH2 ARG B 231 10.918 -1.376 10.518 1.00 10.51 N ATOM 0 H ARG B 231 14.476 -3.362 4.249 1.00 70.14 H new ATOM 0 HA ARG B 231 15.466 -4.810 6.631 1.00 71.40 H new ATOM 0 HB2 ARG B 231 13.798 -3.555 7.977 1.00 33.40 H new ATOM 0 HB3 ARG B 231 15.002 -2.490 7.278 1.00 33.40 H new ATOM 0 HG2 ARG B 231 13.385 -1.888 5.464 1.00 51.25 H new ATOM 0 HG3 ARG B 231 12.180 -2.911 6.220 1.00 51.25 H new ATOM 0 HD2 ARG B 231 13.499 -0.483 7.509 1.00 54.32 H new ATOM 0 HD3 ARG B 231 11.883 -0.522 6.832 1.00 54.32 H new ATOM 0 HE ARG B 231 12.344 -2.540 8.915 1.00 21.42 H new ATOM 0 HH11 ARG B 231 11.391 0.762 8.243 1.00 54.10 H new ATOM 0 HH12 ARG B 231 10.464 0.899 9.741 1.00 54.10 H new ATOM 0 HH21 ARG B 231 11.154 -2.336 10.769 1.00 10.51 H new ATOM 0 HH22 ARG B 231 10.333 -0.815 11.138 1.00 10.51 H new ATOM 1357 N VAL B 232 13.305 -5.727 4.667 1.00 73.30 N ATOM 1358 CA VAL B 232 12.299 -6.757 4.361 1.00 30.43 C ATOM 1359 C VAL B 232 12.932 -8.158 4.324 1.00 12.52 C ATOM 1360 O VAL B 232 14.078 -8.315 3.895 1.00 54.01 O ATOM 1361 CB VAL B 232 11.583 -6.490 3.008 1.00 1.01 C ATOM 1362 CG1 VAL B 232 10.852 -5.151 3.034 1.00 50.55 C ATOM 1363 CG2 VAL B 232 12.567 -6.552 1.839 1.00 62.15 C ATOM 0 H VAL B 232 13.808 -5.374 3.853 1.00 73.30 H new ATOM 0 HA VAL B 232 11.560 -6.711 5.161 1.00 30.43 H new ATOM 0 HB VAL B 232 10.843 -7.277 2.862 1.00 1.01 H new ATOM 0 HG11 VAL B 232 10.359 -4.987 2.076 1.00 50.55 H new ATOM 0 HG12 VAL B 232 10.106 -5.159 3.829 1.00 50.55 H new ATOM 0 HG13 VAL B 232 11.568 -4.349 3.216 1.00 50.55 H new ATOM 0 HG21 VAL B 232 12.036 -6.361 0.906 1.00 62.15 H new ATOM 0 HG22 VAL B 232 13.343 -5.798 1.976 1.00 62.15 H new ATOM 0 HG23 VAL B 232 13.024 -7.541 1.800 1.00 62.15 H new ATOM 1373 N PRO B 233 12.200 -9.195 4.780 1.00 51.21 N ATOM 1374 CA PRO B 233 12.700 -10.583 4.779 1.00 74.32 C ATOM 1375 C PRO B 233 13.021 -11.104 3.363 1.00 22.33 C ATOM 1376 O PRO B 233 12.197 -11.007 2.455 1.00 22.51 O ATOM 1377 CB PRO B 233 11.537 -11.386 5.402 1.00 3.31 C ATOM 1378 CG PRO B 233 10.718 -10.375 6.134 1.00 64.42 C ATOM 1379 CD PRO B 233 10.840 -9.103 5.342 1.00 22.31 C ATOM 0 HA PRO B 233 13.639 -10.671 5.325 1.00 74.32 H new ATOM 0 HB2 PRO B 233 10.949 -11.889 4.634 1.00 3.31 H new ATOM 0 HB3 PRO B 233 11.907 -12.158 6.077 1.00 3.31 H new ATOM 0 HG2 PRO B 233 9.678 -10.692 6.207 1.00 64.42 H new ATOM 0 HG3 PRO B 233 11.082 -10.239 7.152 1.00 64.42 H new ATOM 0 HD2 PRO B 233 10.083 -9.040 4.560 1.00 22.31 H new ATOM 0 HD3 PRO B 233 10.722 -8.222 5.972 1.00 22.31 H new ATOM 1387 N ALA B 234 14.217 -11.669 3.186 1.00 41.12 N ATOM 1388 CA ALA B 234 14.647 -12.203 1.883 1.00 65.01 C ATOM 1389 C ALA B 234 13.691 -13.292 1.358 1.00 44.21 C ATOM 1390 O ALA B 234 13.618 -13.548 0.153 1.00 43.14 O ATOM 1391 CB ALA B 234 16.065 -12.753 1.983 1.00 31.35 C ATOM 0 H ALA B 234 14.910 -11.771 3.928 1.00 41.12 H new ATOM 0 HA ALA B 234 14.626 -11.379 1.170 1.00 65.01 H new ATOM 0 HB1 ALA B 234 16.372 -13.145 1.014 1.00 31.35 H new ATOM 0 HB2 ALA B 234 16.744 -11.955 2.284 1.00 31.35 H new ATOM 0 HB3 ALA B 234 16.094 -13.552 2.723 1.00 31.35 H new ATOM 1397 N ASN B 235 12.963 -13.934 2.267 1.00 43.13 N ATOM 1398 CA ASN B 235 11.975 -14.955 1.897 1.00 64.41 C ATOM 1399 C ASN B 235 10.578 -14.344 1.681 1.00 51.02 C ATOM 1400 O ASN B 235 9.569 -15.051 1.700 1.00 23.24 O ATOM 1401 CB ASN B 235 11.919 -16.045 2.971 1.00 23.13 C ATOM 1402 CG ASN B 235 13.220 -16.821 3.052 1.00 72.32 C ATOM 1403 OD1 ASN B 235 13.403 -17.813 2.360 1.00 33.43 O ATOM 1404 ND2 ASN B 235 14.133 -16.375 3.886 1.00 34.44 N ATOM 0 H ASN B 235 13.036 -13.768 3.271 1.00 43.13 H new ATOM 0 HA ASN B 235 12.290 -15.397 0.952 1.00 64.41 H new ATOM 0 HB2 ASN B 235 11.705 -15.591 3.939 1.00 23.13 H new ATOM 0 HB3 ASN B 235 11.100 -16.730 2.752 1.00 23.13 H new ATOM 0 HD21 ASN B 235 15.027 -16.859 3.971 1.00 34.44 H new ATOM 0 HD22 ASN B 235 13.948 -15.545 4.448 1.00 34.44 H new ATOM 1411 N THR B 236 10.530 -13.032 1.465 1.00 20.34 N ATOM 1412 CA THR B 236 9.269 -12.328 1.199 1.00 41.13 C ATOM 1413 C THR B 236 9.479 -11.130 0.264 1.00 52.35 C ATOM 1414 O THR B 236 10.180 -10.180 0.608 1.00 14.15 O ATOM 1415 CB THR B 236 8.600 -11.832 2.509 1.00 72.34 C ATOM 1416 OG1 THR B 236 8.246 -12.951 3.339 1.00 43.12 O ATOM 1417 CG2 THR B 236 7.349 -11.003 2.219 1.00 1.44 C ATOM 0 H THR B 236 11.352 -12.428 1.468 1.00 20.34 H new ATOM 0 HA THR B 236 8.612 -13.051 0.715 1.00 41.13 H new ATOM 0 HB THR B 236 9.321 -11.200 3.028 1.00 72.34 H new ATOM 0 HG1 THR B 236 7.826 -12.627 4.163 1.00 43.12 H new ATOM 0 HG21 THR B 236 6.906 -10.672 3.158 1.00 1.44 H new ATOM 0 HG22 THR B 236 7.619 -10.134 1.619 1.00 1.44 H new ATOM 0 HG23 THR B 236 6.628 -11.611 1.672 1.00 1.44 H new ATOM 1425 N SER B 237 8.870 -11.180 -0.922 1.00 14.00 N ATOM 1426 CA SER B 237 8.924 -10.054 -1.870 1.00 13.02 C ATOM 1427 C SER B 237 8.261 -8.800 -1.288 1.00 23.22 C ATOM 1428 O SER B 237 7.373 -8.894 -0.439 1.00 61.32 O ATOM 1429 CB SER B 237 8.236 -10.419 -3.194 1.00 3.20 C ATOM 1430 OG SER B 237 8.129 -9.288 -4.051 1.00 1.32 O ATOM 0 H SER B 237 8.334 -11.983 -1.253 1.00 14.00 H new ATOM 0 HA SER B 237 9.977 -9.842 -2.055 1.00 13.02 H new ATOM 0 HB2 SER B 237 8.801 -11.205 -3.695 1.00 3.20 H new ATOM 0 HB3 SER B 237 7.243 -10.820 -2.992 1.00 3.20 H new ATOM 0 HG SER B 237 7.183 -9.091 -4.216 1.00 1.32 H new ATOM 1436 N MET B 238 8.677 -7.628 -1.764 1.00 1.03 N ATOM 1437 CA MET B 238 8.113 -6.358 -1.285 1.00 21.14 C ATOM 1438 C MET B 238 6.597 -6.287 -1.538 1.00 33.13 C ATOM 1439 O MET B 238 5.852 -5.731 -0.735 1.00 30.14 O ATOM 1440 CB MET B 238 8.815 -5.166 -1.950 1.00 3.33 C ATOM 1441 CG MET B 238 10.311 -5.099 -1.664 1.00 54.14 C ATOM 1442 SD MET B 238 11.085 -3.615 -2.337 1.00 71.11 S ATOM 1443 CE MET B 238 10.264 -2.330 -1.394 1.00 11.12 C ATOM 0 H MET B 238 9.399 -7.527 -2.478 1.00 1.03 H new ATOM 0 HA MET B 238 8.281 -6.310 -0.209 1.00 21.14 H new ATOM 0 HB2 MET B 238 8.662 -5.221 -3.028 1.00 3.33 H new ATOM 0 HB3 MET B 238 8.347 -4.243 -1.608 1.00 3.33 H new ATOM 0 HG2 MET B 238 10.472 -5.131 -0.586 1.00 54.14 H new ATOM 0 HG3 MET B 238 10.797 -5.979 -2.085 1.00 54.14 H new ATOM 0 HE1 MET B 238 10.832 -1.403 -1.471 1.00 11.12 H new ATOM 0 HE2 MET B 238 9.260 -2.174 -1.789 1.00 11.12 H new ATOM 0 HE3 MET B 238 10.200 -2.631 -0.348 1.00 11.12 H new ATOM 1453 N SER B 239 6.151 -6.871 -2.650 1.00 70.11 N ATOM 1454 CA SER B 239 4.720 -6.935 -2.984 1.00 1.11 C ATOM 1455 C SER B 239 3.949 -7.745 -1.935 1.00 24.53 C ATOM 1456 O SER B 239 2.976 -7.265 -1.345 1.00 63.53 O ATOM 1457 CB SER B 239 4.534 -7.573 -4.367 1.00 24.21 C ATOM 1458 OG SER B 239 5.104 -8.876 -4.407 1.00 13.53 O ATOM 0 H SER B 239 6.760 -7.310 -3.341 1.00 70.11 H new ATOM 0 HA SER B 239 4.326 -5.919 -2.995 1.00 1.11 H new ATOM 0 HB2 SER B 239 3.472 -7.629 -4.606 1.00 24.21 H new ATOM 0 HB3 SER B 239 4.999 -6.945 -5.127 1.00 24.21 H new ATOM 0 HG SER B 239 4.972 -9.264 -5.297 1.00 13.53 H new ATOM 1464 N ALA B 240 4.397 -8.978 -1.707 1.00 33.31 N ATOM 1465 CA ALA B 240 3.823 -9.842 -0.670 1.00 35.31 C ATOM 1466 C ALA B 240 3.927 -9.195 0.721 1.00 60.22 C ATOM 1467 O ALA B 240 3.036 -9.354 1.561 1.00 2.32 O ATOM 1468 CB ALA B 240 4.518 -11.200 -0.685 1.00 42.14 C ATOM 0 H ALA B 240 5.161 -9.406 -2.229 1.00 33.31 H new ATOM 0 HA ALA B 240 2.764 -9.981 -0.887 1.00 35.31 H new ATOM 0 HB1 ALA B 240 4.088 -11.838 0.087 1.00 42.14 H new ATOM 0 HB2 ALA B 240 4.381 -11.668 -1.660 1.00 42.14 H new ATOM 0 HB3 ALA B 240 5.583 -11.066 -0.493 1.00 42.14 H new ATOM 1474 N TYR B 241 5.016 -8.462 0.950 1.00 74.22 N ATOM 1475 CA TYR B 241 5.225 -7.743 2.210 1.00 31.44 C ATOM 1476 C TYR B 241 4.135 -6.681 2.430 1.00 32.23 C ATOM 1477 O TYR B 241 3.554 -6.595 3.509 1.00 52.30 O ATOM 1478 CB TYR B 241 6.620 -7.097 2.232 1.00 31.02 C ATOM 1479 CG TYR B 241 6.936 -6.337 3.510 1.00 63.14 C ATOM 1480 CD1 TYR B 241 7.024 -6.999 4.731 1.00 51.02 C ATOM 1481 CD2 TYR B 241 7.141 -4.961 3.495 1.00 2.35 C ATOM 1482 CE1 TYR B 241 7.308 -6.311 5.895 1.00 53.34 C ATOM 1483 CE2 TYR B 241 7.426 -4.268 4.655 1.00 4.35 C ATOM 1484 CZ TYR B 241 7.507 -4.947 5.853 1.00 14.11 C ATOM 1485 OH TYR B 241 7.785 -4.256 7.015 1.00 14.52 O ATOM 0 H TYR B 241 5.773 -8.349 0.276 1.00 74.22 H new ATOM 0 HA TYR B 241 5.160 -8.463 3.026 1.00 31.44 H new ATOM 0 HB2 TYR B 241 7.370 -7.875 2.091 1.00 31.02 H new ATOM 0 HB3 TYR B 241 6.705 -6.414 1.386 1.00 31.02 H new ATOM 0 HD1 TYR B 241 6.868 -8.067 4.769 1.00 51.02 H new ATOM 0 HD2 TYR B 241 7.076 -4.425 2.559 1.00 2.35 H new ATOM 0 HE1 TYR B 241 7.374 -6.840 6.835 1.00 53.34 H new ATOM 0 HE2 TYR B 241 7.585 -3.200 4.624 1.00 4.35 H new ATOM 0 HH TYR B 241 7.164 -3.503 7.105 1.00 14.52 H new ATOM 1495 N ILE B 242 3.850 -5.887 1.403 1.00 42.22 N ATOM 1496 CA ILE B 242 2.795 -4.872 1.496 1.00 14.53 C ATOM 1497 C ILE B 242 1.406 -5.520 1.674 1.00 23.44 C ATOM 1498 O ILE B 242 0.563 -5.007 2.414 1.00 11.35 O ATOM 1499 CB ILE B 242 2.785 -3.948 0.247 1.00 41.24 C ATOM 1500 CG1 ILE B 242 4.136 -3.224 0.102 1.00 30.01 C ATOM 1501 CG2 ILE B 242 1.637 -2.936 0.320 1.00 53.42 C ATOM 1502 CD1 ILE B 242 4.509 -2.362 1.295 1.00 34.33 C ATOM 0 H ILE B 242 4.327 -5.922 0.502 1.00 42.22 H new ATOM 0 HA ILE B 242 3.014 -4.267 2.376 1.00 14.53 H new ATOM 0 HB ILE B 242 2.628 -4.571 -0.633 1.00 41.24 H new ATOM 0 HG12 ILE B 242 4.919 -3.966 -0.055 1.00 30.01 H new ATOM 0 HG13 ILE B 242 4.107 -2.598 -0.790 1.00 30.01 H new ATOM 0 HG21 ILE B 242 1.654 -2.302 -0.567 1.00 53.42 H new ATOM 0 HG22 ILE B 242 0.686 -3.467 0.369 1.00 53.42 H new ATOM 0 HG23 ILE B 242 1.753 -2.318 1.210 1.00 53.42 H new ATOM 0 HD11 ILE B 242 5.473 -1.887 1.114 1.00 34.33 H new ATOM 0 HD12 ILE B 242 3.749 -1.595 1.442 1.00 34.33 H new ATOM 0 HD13 ILE B 242 4.573 -2.984 2.188 1.00 34.33 H new ATOM 1514 N ARG B 243 1.180 -6.662 1.016 1.00 55.10 N ATOM 1515 CA ARG B 243 -0.117 -7.353 1.101 1.00 52.44 C ATOM 1516 C ARG B 243 -0.399 -7.884 2.517 1.00 5.15 C ATOM 1517 O ARG B 243 -1.510 -7.749 3.029 1.00 12.32 O ATOM 1518 CB ARG B 243 -0.201 -8.507 0.090 1.00 63.41 C ATOM 1519 CG ARG B 243 -1.609 -9.092 -0.029 1.00 51.32 C ATOM 1520 CD ARG B 243 -1.692 -10.231 -1.044 1.00 45.42 C ATOM 1521 NE ARG B 243 -1.040 -11.455 -0.576 1.00 51.23 N ATOM 1522 CZ ARG B 243 -1.608 -12.635 -0.579 1.00 70.23 C ATOM 1523 NH1 ARG B 243 -2.847 -12.768 -0.931 1.00 10.41 N ATOM 1524 NH2 ARG B 243 -0.937 -13.674 -0.213 1.00 12.24 N ATOM 0 H ARG B 243 1.869 -7.126 0.424 1.00 55.10 H new ATOM 0 HA ARG B 243 -0.878 -6.611 0.859 1.00 52.44 H new ATOM 0 HB2 ARG B 243 0.123 -8.151 -0.888 1.00 63.41 H new ATOM 0 HB3 ARG B 243 0.491 -9.295 0.388 1.00 63.41 H new ATOM 0 HG2 ARG B 243 -1.930 -9.457 0.947 1.00 51.32 H new ATOM 0 HG3 ARG B 243 -2.303 -8.302 -0.318 1.00 51.32 H new ATOM 0 HD2 ARG B 243 -2.739 -10.443 -1.261 1.00 45.42 H new ATOM 0 HD3 ARG B 243 -1.230 -9.913 -1.979 1.00 45.42 H new ATOM 0 HE ARG B 243 -0.085 -11.385 -0.226 1.00 51.23 H new ATOM 0 HH11 ARG B 243 -3.389 -11.950 -1.209 1.00 10.41 H new ATOM 0 HH12 ARG B 243 -3.281 -13.691 -0.930 1.00 10.41 H new ATOM 0 HH21 ARG B 243 0.036 -13.576 0.079 1.00 12.24 H new ATOM 0 HH22 ARG B 243 -1.379 -14.593 -0.215 1.00 12.24 H new ATOM 1538 N ARG B 244 0.601 -8.496 3.148 1.00 10.44 N ATOM 1539 CA ARG B 244 0.440 -8.998 4.518 1.00 10.41 C ATOM 1540 C ARG B 244 0.231 -7.839 5.512 1.00 42.42 C ATOM 1541 O ARG B 244 -0.520 -7.970 6.482 1.00 65.33 O ATOM 1542 CB ARG B 244 1.640 -9.873 4.925 1.00 21.23 C ATOM 1543 CG ARG B 244 2.995 -9.181 4.807 1.00 11.44 C ATOM 1544 CD ARG B 244 4.157 -10.141 5.063 1.00 22.32 C ATOM 1545 NE ARG B 244 4.222 -10.578 6.457 1.00 11.40 N ATOM 1546 CZ ARG B 244 4.536 -11.785 6.844 1.00 12.11 C ATOM 1547 NH1 ARG B 244 4.747 -12.726 5.977 1.00 25.34 N ATOM 1548 NH2 ARG B 244 4.646 -12.048 8.104 1.00 42.52 N ATOM 0 H ARG B 244 1.523 -8.657 2.742 1.00 10.44 H new ATOM 0 HA ARG B 244 -0.454 -9.622 4.546 1.00 10.41 H new ATOM 0 HB2 ARG B 244 1.502 -10.201 5.955 1.00 21.23 H new ATOM 0 HB3 ARG B 244 1.648 -10.769 4.304 1.00 21.23 H new ATOM 0 HG2 ARG B 244 3.095 -8.749 3.811 1.00 11.44 H new ATOM 0 HG3 ARG B 244 3.043 -8.357 5.518 1.00 11.44 H new ATOM 0 HD2 ARG B 244 4.054 -11.012 4.416 1.00 22.32 H new ATOM 0 HD3 ARG B 244 5.094 -9.653 4.794 1.00 22.32 H new ATOM 0 HE ARG B 244 4.007 -9.891 7.179 1.00 11.40 H new ATOM 0 HH11 ARG B 244 4.668 -12.527 4.980 1.00 25.34 H new ATOM 0 HH12 ARG B 244 4.992 -13.665 6.292 1.00 25.34 H new ATOM 0 HH21 ARG B 244 4.488 -11.314 8.794 1.00 42.52 H new ATOM 0 HH22 ARG B 244 4.891 -12.990 8.409 1.00 42.52 H new ATOM 1562 N ILE B 245 0.873 -6.697 5.249 1.00 22.25 N ATOM 1563 CA ILE B 245 0.684 -5.492 6.067 1.00 35.02 C ATOM 1564 C ILE B 245 -0.778 -5.014 6.032 1.00 25.43 C ATOM 1565 O ILE B 245 -1.419 -4.854 7.076 1.00 62.11 O ATOM 1566 CB ILE B 245 1.605 -4.336 5.596 1.00 73.01 C ATOM 1567 CG1 ILE B 245 3.080 -4.703 5.815 1.00 53.33 C ATOM 1568 CG2 ILE B 245 1.261 -3.031 6.318 1.00 32.44 C ATOM 1569 CD1 ILE B 245 4.049 -3.665 5.292 1.00 0.10 C ATOM 0 H ILE B 245 1.529 -6.580 4.476 1.00 22.25 H new ATOM 0 HA ILE B 245 0.948 -5.764 7.089 1.00 35.02 H new ATOM 0 HB ILE B 245 1.440 -4.183 4.529 1.00 73.01 H new ATOM 0 HG12 ILE B 245 3.255 -4.846 6.881 1.00 53.33 H new ATOM 0 HG13 ILE B 245 3.284 -5.656 5.328 1.00 53.33 H new ATOM 0 HG21 ILE B 245 1.922 -2.237 5.969 1.00 32.44 H new ATOM 0 HG22 ILE B 245 0.226 -2.761 6.108 1.00 32.44 H new ATOM 0 HG23 ILE B 245 1.390 -3.165 7.392 1.00 32.44 H new ATOM 0 HD11 ILE B 245 5.071 -3.993 5.482 1.00 0.10 H new ATOM 0 HD12 ILE B 245 3.902 -3.538 4.219 1.00 0.10 H new ATOM 0 HD13 ILE B 245 3.873 -2.715 5.797 1.00 0.10 H new ATOM 1581 N ILE B 246 -1.304 -4.789 4.826 1.00 22.32 N ATOM 1582 CA ILE B 246 -2.687 -4.327 4.675 1.00 73.12 C ATOM 1583 C ILE B 246 -3.688 -5.379 5.186 1.00 51.03 C ATOM 1584 O ILE B 246 -4.711 -5.031 5.772 1.00 61.00 O ATOM 1585 CB ILE B 246 -3.019 -3.942 3.206 1.00 34.13 C ATOM 1586 CG1 ILE B 246 -2.886 -5.156 2.272 1.00 50.43 C ATOM 1587 CG2 ILE B 246 -2.116 -2.799 2.737 1.00 31.32 C ATOM 1588 CD1 ILE B 246 -3.228 -4.860 0.826 1.00 42.45 C ATOM 0 H ILE B 246 -0.800 -4.917 3.948 1.00 22.32 H new ATOM 0 HA ILE B 246 -2.782 -3.429 5.285 1.00 73.12 H new ATOM 0 HB ILE B 246 -4.055 -3.604 3.170 1.00 34.13 H new ATOM 0 HG12 ILE B 246 -1.864 -5.531 2.324 1.00 50.43 H new ATOM 0 HG13 ILE B 246 -3.537 -5.953 2.633 1.00 50.43 H new ATOM 0 HG21 ILE B 246 -2.361 -2.541 1.707 1.00 31.32 H new ATOM 0 HG22 ILE B 246 -2.270 -1.929 3.375 1.00 31.32 H new ATOM 0 HG23 ILE B 246 -1.073 -3.112 2.795 1.00 31.32 H new ATOM 0 HD11 ILE B 246 -3.110 -5.766 0.231 1.00 42.45 H new ATOM 0 HD12 ILE B 246 -4.260 -4.514 0.760 1.00 42.45 H new ATOM 0 HD13 ILE B 246 -2.561 -4.087 0.445 1.00 42.45 H new ATOM 1600 N LEU B 247 -3.370 -6.660 4.993 1.00 31.32 N ATOM 1601 CA LEU B 247 -4.200 -7.754 5.515 1.00 30.12 C ATOM 1602 C LEU B 247 -4.404 -7.616 7.036 1.00 25.31 C ATOM 1603 O LEU B 247 -5.535 -7.614 7.527 1.00 22.21 O ATOM 1604 CB LEU B 247 -3.554 -9.109 5.188 1.00 51.52 C ATOM 1605 CG LEU B 247 -4.347 -10.352 5.630 1.00 33.31 C ATOM 1606 CD1 LEU B 247 -5.718 -10.387 4.961 1.00 71.21 C ATOM 1607 CD2 LEU B 247 -3.562 -11.627 5.321 1.00 13.12 C ATOM 0 H LEU B 247 -2.544 -6.968 4.480 1.00 31.32 H new ATOM 0 HA LEU B 247 -5.177 -7.699 5.035 1.00 30.12 H new ATOM 0 HB2 LEU B 247 -3.397 -9.165 4.111 1.00 51.52 H new ATOM 0 HB3 LEU B 247 -2.570 -9.144 5.656 1.00 51.52 H new ATOM 0 HG LEU B 247 -4.498 -10.295 6.708 1.00 33.31 H new ATOM 0 HD11 LEU B 247 -6.260 -11.274 5.288 1.00 71.21 H new ATOM 0 HD12 LEU B 247 -6.281 -9.495 5.237 1.00 71.21 H new ATOM 0 HD13 LEU B 247 -5.594 -10.417 3.878 1.00 71.21 H new ATOM 0 HD21 LEU B 247 -4.138 -12.495 5.640 1.00 13.12 H new ATOM 0 HD22 LEU B 247 -3.376 -11.689 4.249 1.00 13.12 H new ATOM 0 HD23 LEU B 247 -2.611 -11.607 5.853 1.00 13.12 H new ATOM 1619 N ASN B 248 -3.300 -7.484 7.773 1.00 13.22 N ATOM 1620 CA ASN B 248 -3.361 -7.256 9.226 1.00 63.52 C ATOM 1621 C ASN B 248 -3.988 -5.888 9.560 1.00 23.33 C ATOM 1622 O ASN B 248 -4.452 -5.662 10.677 1.00 63.10 O ATOM 1623 CB ASN B 248 -1.961 -7.358 9.849 1.00 72.03 C ATOM 1624 CG ASN B 248 -1.470 -8.794 9.956 1.00 42.43 C ATOM 1625 OD1 ASN B 248 -1.713 -9.474 10.950 1.00 61.13 O ATOM 1626 ND2 ASN B 248 -0.765 -9.268 8.947 1.00 73.42 N ATOM 0 H ASN B 248 -2.354 -7.530 7.394 1.00 13.22 H new ATOM 0 HA ASN B 248 -3.997 -8.032 9.651 1.00 63.52 H new ATOM 0 HB2 ASN B 248 -1.257 -6.781 9.248 1.00 72.03 H new ATOM 0 HB3 ASN B 248 -1.976 -6.908 10.842 1.00 72.03 H new ATOM 0 HD21 ASN B 248 -0.406 -10.222 8.979 1.00 73.42 H new ATOM 0 HD22 ASN B 248 -0.579 -8.680 8.134 1.00 73.42 H new ATOM 1633 N HIS B 249 -3.999 -4.979 8.588 1.00 43.02 N ATOM 1634 CA HIS B 249 -4.597 -3.653 8.777 1.00 51.23 C ATOM 1635 C HIS B 249 -6.132 -3.705 8.671 1.00 72.32 C ATOM 1636 O HIS B 249 -6.824 -3.011 9.410 1.00 32.10 O ATOM 1637 CB HIS B 249 -4.029 -2.667 7.750 1.00 32.32 C ATOM 1638 CG HIS B 249 -4.540 -1.263 7.897 1.00 51.12 C ATOM 1639 ND1 HIS B 249 -3.974 -0.342 8.751 1.00 61.22 N ATOM 1640 CD2 HIS B 249 -5.558 -0.617 7.279 1.00 72.13 C ATOM 1641 CE1 HIS B 249 -4.615 0.801 8.651 1.00 42.05 C ATOM 1642 NE2 HIS B 249 -5.584 0.667 7.767 1.00 44.52 N ATOM 0 H HIS B 249 -3.602 -5.133 7.661 1.00 43.02 H new ATOM 0 HA HIS B 249 -4.344 -3.312 9.781 1.00 51.23 H new ATOM 0 HB2 HIS B 249 -2.942 -2.657 7.835 1.00 32.32 H new ATOM 0 HB3 HIS B 249 -4.267 -3.025 6.749 1.00 32.32 H new ATOM 0 HD2 HIS B 249 -6.226 -1.034 6.540 1.00 72.13 H new ATOM 0 HE1 HIS B 249 -4.386 1.701 9.202 1.00 42.05 H new ATOM 0 HE2 HIS B 249 -6.243 1.395 7.491 1.00 44.52 H new ATOM 1651 N LEU B 250 -6.653 -4.518 7.748 1.00 40.21 N ATOM 1652 CA LEU B 250 -8.109 -4.634 7.546 1.00 2.24 C ATOM 1653 C LEU B 250 -8.822 -5.292 8.742 1.00 3.30 C ATOM 1654 O LEU B 250 -9.982 -4.987 9.026 1.00 12.24 O ATOM 1655 CB LEU B 250 -8.420 -5.406 6.249 1.00 60.30 C ATOM 1656 CG LEU B 250 -8.530 -4.547 4.973 1.00 64.44 C ATOM 1657 CD1 LEU B 250 -9.695 -3.566 5.081 1.00 31.31 C ATOM 1658 CD2 LEU B 250 -7.225 -3.808 4.691 1.00 43.41 C ATOM 0 H LEU B 250 -6.095 -5.106 7.128 1.00 40.21 H new ATOM 0 HA LEU B 250 -8.495 -3.618 7.460 1.00 2.24 H new ATOM 0 HB2 LEU B 250 -7.641 -6.153 6.096 1.00 60.30 H new ATOM 0 HB3 LEU B 250 -9.357 -5.946 6.384 1.00 60.30 H new ATOM 0 HG LEU B 250 -8.722 -5.217 4.135 1.00 64.44 H new ATOM 0 HD11 LEU B 250 -9.754 -2.970 4.170 1.00 31.31 H new ATOM 0 HD12 LEU B 250 -10.625 -4.119 5.214 1.00 31.31 H new ATOM 0 HD13 LEU B 250 -9.538 -2.908 5.936 1.00 31.31 H new ATOM 0 HD21 LEU B 250 -7.333 -3.211 3.786 1.00 43.41 H new ATOM 0 HD22 LEU B 250 -6.988 -3.154 5.531 1.00 43.41 H new ATOM 0 HD23 LEU B 250 -6.420 -4.530 4.555 1.00 43.41 H new ATOM 1670 N GLU B 251 -8.139 -6.207 9.436 1.00 71.25 N ATOM 1671 CA GLU B 251 -8.695 -6.799 10.659 1.00 40.43 C ATOM 1672 C GLU B 251 -8.604 -5.815 11.841 1.00 41.54 C ATOM 1673 O GLU B 251 -9.316 -5.955 12.840 1.00 51.12 O ATOM 1674 CB GLU B 251 -7.995 -8.128 11.007 1.00 33.51 C ATOM 1675 CG GLU B 251 -6.476 -8.035 11.123 1.00 42.11 C ATOM 1676 CD GLU B 251 -5.861 -9.267 11.775 1.00 73.40 C ATOM 1677 OE1 GLU B 251 -5.790 -10.332 11.122 1.00 32.21 O ATOM 1678 OE2 GLU B 251 -5.448 -9.173 12.951 1.00 41.14 O ATOM 0 H GLU B 251 -7.214 -6.551 9.178 1.00 71.25 H new ATOM 0 HA GLU B 251 -9.747 -7.011 10.470 1.00 40.43 H new ATOM 0 HB2 GLU B 251 -8.396 -8.499 11.950 1.00 33.51 H new ATOM 0 HB3 GLU B 251 -8.243 -8.865 10.243 1.00 33.51 H new ATOM 0 HG2 GLU B 251 -6.047 -7.902 10.130 1.00 42.11 H new ATOM 0 HG3 GLU B 251 -6.213 -7.151 11.705 1.00 42.11 H new ATOM 1685 N ASP B 252 -7.731 -4.815 11.714 1.00 34.34 N ATOM 1686 CA ASP B 252 -7.584 -3.759 12.725 1.00 41.21 C ATOM 1687 C ASP B 252 -8.625 -2.643 12.510 1.00 62.35 C ATOM 1688 O ASP B 252 -9.284 -2.194 13.450 1.00 13.42 O ATOM 1689 CB ASP B 252 -6.164 -3.186 12.659 1.00 63.25 C ATOM 1690 CG ASP B 252 -5.898 -2.138 13.726 1.00 0.21 C ATOM 1691 OD1 ASP B 252 -5.775 -2.511 14.909 1.00 63.32 O ATOM 1692 OD2 ASP B 252 -5.803 -0.940 13.384 1.00 64.42 O ATOM 0 H ASP B 252 -7.108 -4.711 10.913 1.00 34.34 H new ATOM 0 HA ASP B 252 -7.755 -4.189 13.712 1.00 41.21 H new ATOM 0 HB2 ASP B 252 -5.445 -3.998 12.767 1.00 63.25 H new ATOM 0 HB3 ASP B 252 -6.001 -2.745 11.676 1.00 63.25 H new ATOM 1697 N GLU B 253 -8.758 -2.206 11.263 1.00 34.31 N ATOM 1698 CA GLU B 253 -9.760 -1.202 10.871 1.00 2.50 C ATOM 1699 C GLU B 253 -10.316 -1.490 9.461 1.00 74.24 C ATOM 1700 O GLU B 253 -11.502 -1.866 9.354 1.00 38.74 O ATOM 1701 CB GLU B 253 -9.181 0.226 10.944 1.00 21.12 C ATOM 1702 CG GLU B 253 -7.821 0.392 10.270 1.00 63.31 C ATOM 1703 CD GLU B 253 -7.433 1.848 10.061 1.00 63.53 C ATOM 1704 OE1 GLU B 253 -7.046 2.521 11.039 1.00 23.12 O ATOM 1705 OE2 GLU B 253 -7.491 2.326 8.906 1.00 10.22 O ATOM 1706 OXT GLU B 253 -9.568 -1.350 8.465 1.00 38.74 O ATOM 0 H GLU B 253 -8.178 -2.533 10.490 1.00 34.31 H new ATOM 0 HA GLU B 253 -10.584 -1.269 11.582 1.00 2.50 H new ATOM 0 HB2 GLU B 253 -9.888 0.915 10.482 1.00 21.12 H new ATOM 0 HB3 GLU B 253 -9.091 0.515 11.991 1.00 21.12 H new ATOM 0 HG2 GLU B 253 -7.059 -0.097 10.877 1.00 63.31 H new ATOM 0 HG3 GLU B 253 -7.835 -0.116 9.306 1.00 63.31 H new