USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 610 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 14 SER OG : rot 180:sc= -0.0067 USER MOD Set 1.2: A 15 ASN : amide:sc= 0 X(o=-0.0067,f=-0.0067) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 19 ASN : amide:sc= -0.0296 X(o=-0.03,f=-0.53) USER MOD Single : A 22 THR OG1 : rot 75:sc= 0.75 USER MOD Single : A 36 SER OG : rot 23:sc= 0.149 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.558 K(o=-0.56,f=-3.2!) USER MOD Single : A 44 TYR OH : rot 169:sc= 0.26 USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= -0.0162 (180deg=-0.304) USER MOD Single : A 50 GLN : amide:sc= -0.0416 K(o=-0.042,f=-1.5) USER MOD Single : A 51 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00517) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -176:sc= -4! USER MOD Single : A 60 SER OG : rot 73:sc= 1.24 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1.1) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 149:sc= -0.0842 (180deg=-1.27!) USER MOD Single : A 72 ASN : amide:sc= 0.16 X(o=0.16,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.524 K(o=-0.52,f=-4) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -146:sc= -0.212 (180deg=-1.67!) USER MOD Single : A 84 LYS NZ :NH3+ 161:sc= -0.123 (180deg=-0.548) USER MOD Single : A 86 LYS NZ :NH3+ 154:sc= -0.402 (180deg=-2.54!) USER MOD Single : A 89 THR OG1 : rot 61:sc= 1.14 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N ARG A 13 10.113 -4.592 8.663 1.00 73.04 N ATOM 195 CA ARG A 13 9.014 -3.634 8.636 1.00 44.42 C ATOM 196 C ARG A 13 8.839 -3.048 7.238 1.00 40.31 C ATOM 197 O ARG A 13 7.717 -2.823 6.785 1.00 33.33 O ATOM 198 CB ARG A 13 9.266 -2.511 9.644 1.00 51.51 C ATOM 199 CG ARG A 13 9.464 -3.002 11.067 1.00 35.45 C ATOM 200 CD ARG A 13 9.184 -1.904 12.081 1.00 0.43 C ATOM 201 NE ARG A 13 9.685 -2.244 13.410 1.00 33.23 N ATOM 202 CZ ARG A 13 9.925 -1.344 14.357 1.00 2.04 C ATOM 203 NH1 ARG A 13 9.711 -0.057 14.124 1.00 72.04 N ATOM 204 NH2 ARG A 13 10.380 -1.732 15.542 1.00 13.51 N ATOM 0 HA ARG A 13 8.098 -4.159 8.908 1.00 44.42 H new ATOM 0 HB2 ARG A 13 10.148 -1.950 9.336 1.00 51.51 H new ATOM 0 HB3 ARG A 13 8.424 -1.819 9.622 1.00 51.51 H new ATOM 0 HG2 ARG A 13 8.805 -3.849 11.255 1.00 35.45 H new ATOM 0 HG3 ARG A 13 10.486 -3.360 11.190 1.00 35.45 H new ATOM 0 HD2 ARG A 13 9.646 -0.975 11.746 1.00 0.43 H new ATOM 0 HD3 ARG A 13 8.110 -1.725 12.134 1.00 0.43 H new ATOM 0 HE ARG A 13 9.860 -3.226 13.623 1.00 33.23 H new ATOM 0 HH11 ARG A 13 9.361 0.245 13.215 1.00 72.04 H new ATOM 0 HH12 ARG A 13 9.896 0.631 14.854 1.00 72.04 H new ATOM 0 HH21 ARG A 13 10.546 -2.722 15.726 1.00 13.51 H new ATOM 0 HH22 ARG A 13 10.564 -1.041 16.269 1.00 13.51 H new ATOM 218 N SER A 14 9.955 -2.803 6.559 1.00 1.12 N ATOM 219 CA SER A 14 9.924 -2.238 5.215 1.00 65.40 C ATOM 220 C SER A 14 9.270 -3.208 4.235 1.00 44.52 C ATOM 221 O SER A 14 8.326 -2.852 3.532 1.00 51.54 O ATOM 222 CB SER A 14 11.342 -1.902 4.748 1.00 25.12 C ATOM 223 OG SER A 14 12.216 -3.001 4.939 1.00 3.42 O ATOM 0 H SER A 14 10.892 -2.987 6.918 1.00 1.12 H new ATOM 0 HA SER A 14 9.333 -1.323 5.244 1.00 65.40 H new ATOM 0 HB2 SER A 14 11.325 -1.626 3.694 1.00 25.12 H new ATOM 0 HB3 SER A 14 11.714 -1.038 5.298 1.00 25.12 H new ATOM 0 HG SER A 14 13.115 -2.761 4.631 1.00 3.42 H new ATOM 229 N ASN A 15 9.781 -4.434 4.195 1.00 53.00 N ATOM 230 CA ASN A 15 9.248 -5.455 3.301 1.00 42.32 C ATOM 231 C ASN A 15 7.845 -5.874 3.728 1.00 63.31 C ATOM 232 O ASN A 15 7.101 -6.472 2.951 1.00 25.12 O ATOM 233 CB ASN A 15 10.172 -6.674 3.277 1.00 72.50 C ATOM 234 CG ASN A 15 11.289 -6.535 2.261 1.00 54.03 C ATOM 235 OD1 ASN A 15 11.325 -7.252 1.260 1.00 4.34 O ATOM 236 ND2 ASN A 15 12.206 -5.608 2.513 1.00 70.51 N ATOM 0 H ASN A 15 10.563 -4.744 4.771 1.00 53.00 H new ATOM 0 HA ASN A 15 9.191 -5.031 2.299 1.00 42.32 H new ATOM 0 HB2 ASN A 15 10.602 -6.819 4.268 1.00 72.50 H new ATOM 0 HB3 ASN A 15 9.587 -7.565 3.050 1.00 72.50 H new ATOM 0 HD21 ASN A 15 12.980 -5.467 1.864 1.00 70.51 H new ATOM 0 HD22 ASN A 15 12.136 -5.037 3.355 1.00 70.51 H new ATOM 243 N GLN A 16 7.491 -5.556 4.970 1.00 54.35 N ATOM 244 CA GLN A 16 6.176 -5.899 5.500 1.00 43.01 C ATOM 245 C GLN A 16 5.069 -5.270 4.661 1.00 62.10 C ATOM 246 O GLN A 16 4.305 -5.971 3.998 1.00 44.11 O ATOM 247 CB GLN A 16 6.054 -5.440 6.954 1.00 5.24 C ATOM 248 CG GLN A 16 5.661 -6.552 7.912 1.00 1.33 C ATOM 249 CD GLN A 16 6.335 -6.424 9.264 1.00 20.04 C ATOM 250 OE1 GLN A 16 6.058 -5.496 10.024 1.00 52.41 O ATOM 251 NE2 GLN A 16 7.227 -7.359 9.572 1.00 13.14 N ATOM 0 H GLN A 16 8.095 -5.062 5.627 1.00 54.35 H new ATOM 0 HA GLN A 16 6.067 -6.983 5.458 1.00 43.01 H new ATOM 0 HB2 GLN A 16 7.006 -5.016 7.274 1.00 5.24 H new ATOM 0 HB3 GLN A 16 5.314 -4.642 7.013 1.00 5.24 H new ATOM 0 HG2 GLN A 16 4.579 -6.544 8.047 1.00 1.33 H new ATOM 0 HG3 GLN A 16 5.920 -7.515 7.471 1.00 1.33 H new ATOM 0 HE21 GLN A 16 7.426 -8.111 8.912 1.00 13.14 H new ATOM 0 HE22 GLN A 16 7.713 -7.325 10.468 1.00 13.14 H new ATOM 260 N ALA A 17 4.987 -3.943 4.696 1.00 25.42 N ATOM 261 CA ALA A 17 3.975 -3.220 3.938 1.00 11.01 C ATOM 262 C ALA A 17 3.962 -3.661 2.478 1.00 45.12 C ATOM 263 O ALA A 17 2.901 -3.803 1.873 1.00 53.30 O ATOM 264 CB ALA A 17 4.213 -1.720 4.037 1.00 33.42 C ATOM 0 H ALA A 17 5.610 -3.348 5.242 1.00 25.42 H new ATOM 0 HA ALA A 17 3.000 -3.451 4.368 1.00 11.01 H new ATOM 0 HB1 ALA A 17 3.449 -1.192 3.466 1.00 33.42 H new ATOM 0 HB2 ALA A 17 4.163 -1.412 5.081 1.00 33.42 H new ATOM 0 HB3 ALA A 17 5.197 -1.480 3.635 1.00 33.42 H new ATOM 270 N GLU A 18 5.149 -3.876 1.920 1.00 3.44 N ATOM 271 CA GLU A 18 5.274 -4.299 0.530 1.00 3.42 C ATOM 272 C GLU A 18 4.454 -5.559 0.270 1.00 21.01 C ATOM 273 O GLU A 18 3.670 -5.617 -0.677 1.00 62.42 O ATOM 274 CB GLU A 18 6.742 -4.551 0.180 1.00 74.14 C ATOM 275 CG GLU A 18 7.480 -3.305 -0.282 1.00 25.33 C ATOM 276 CD GLU A 18 8.961 -3.551 -0.496 1.00 43.20 C ATOM 277 OE1 GLU A 18 9.306 -4.347 -1.395 1.00 60.21 O ATOM 278 OE2 GLU A 18 9.775 -2.948 0.234 1.00 3.35 O ATOM 0 H GLU A 18 6.037 -3.764 2.409 1.00 3.44 H new ATOM 0 HA GLU A 18 4.890 -3.499 -0.103 1.00 3.42 H new ATOM 0 HB2 GLU A 18 7.250 -4.961 1.053 1.00 74.14 H new ATOM 0 HB3 GLU A 18 6.795 -5.306 -0.604 1.00 74.14 H new ATOM 0 HG2 GLU A 18 7.037 -2.948 -1.212 1.00 25.33 H new ATOM 0 HG3 GLU A 18 7.350 -2.515 0.457 1.00 25.33 H new ATOM 285 N ASN A 19 4.641 -6.566 1.117 1.00 23.24 N ATOM 286 CA ASN A 19 3.921 -7.826 0.979 1.00 12.42 C ATOM 287 C ASN A 19 2.425 -7.625 1.207 1.00 43.41 C ATOM 288 O ASN A 19 1.596 -8.232 0.528 1.00 24.21 O ATOM 289 CB ASN A 19 4.464 -8.859 1.967 1.00 50.04 C ATOM 290 CG ASN A 19 5.752 -9.499 1.484 1.00 20.23 C ATOM 291 OD1 ASN A 19 5.873 -9.875 0.318 1.00 35.43 O ATOM 292 ND2 ASN A 19 6.723 -9.625 2.382 1.00 54.22 N ATOM 0 H ASN A 19 5.286 -6.533 1.907 1.00 23.24 H new ATOM 0 HA ASN A 19 4.070 -8.192 -0.037 1.00 12.42 H new ATOM 0 HB2 ASN A 19 4.638 -8.380 2.930 1.00 50.04 H new ATOM 0 HB3 ASN A 19 3.714 -9.634 2.127 1.00 50.04 H new ATOM 0 HD21 ASN A 19 7.612 -10.047 2.116 1.00 54.22 H new ATOM 0 HD22 ASN A 19 6.579 -9.299 3.338 1.00 54.22 H new ATOM 299 N ILE A 20 2.088 -6.769 2.166 1.00 44.21 N ATOM 300 CA ILE A 20 0.694 -6.487 2.482 1.00 13.24 C ATOM 301 C ILE A 20 -0.044 -5.933 1.268 1.00 45.12 C ATOM 302 O ILE A 20 -1.040 -6.503 0.822 1.00 12.12 O ATOM 303 CB ILE A 20 0.572 -5.484 3.645 1.00 72.33 C ATOM 304 CG1 ILE A 20 1.252 -6.037 4.898 1.00 44.24 C ATOM 305 CG2 ILE A 20 -0.890 -5.171 3.924 1.00 61.54 C ATOM 306 CD1 ILE A 20 1.592 -4.975 5.920 1.00 25.33 C ATOM 0 H ILE A 20 2.762 -6.259 2.737 1.00 44.21 H new ATOM 0 HA ILE A 20 0.241 -7.433 2.779 1.00 13.24 H new ATOM 0 HB ILE A 20 1.073 -4.559 3.361 1.00 72.33 H new ATOM 0 HG12 ILE A 20 0.599 -6.778 5.359 1.00 44.24 H new ATOM 0 HG13 ILE A 20 2.166 -6.555 4.607 1.00 44.24 H new ATOM 0 HG21 ILE A 20 -0.959 -4.461 4.748 1.00 61.54 H new ATOM 0 HG22 ILE A 20 -1.346 -4.739 3.033 1.00 61.54 H new ATOM 0 HG23 ILE A 20 -1.414 -6.089 4.191 1.00 61.54 H new ATOM 0 HD11 ILE A 20 2.072 -5.439 6.782 1.00 25.33 H new ATOM 0 HD12 ILE A 20 2.271 -4.247 5.476 1.00 25.33 H new ATOM 0 HD13 ILE A 20 0.679 -4.472 6.240 1.00 25.33 H new ATOM 318 N ILE A 21 0.453 -4.821 0.738 1.00 71.22 N ATOM 319 CA ILE A 21 -0.157 -4.192 -0.427 1.00 34.34 C ATOM 320 C ILE A 21 -0.376 -5.204 -1.547 1.00 31.04 C ATOM 321 O ILE A 21 -1.429 -5.222 -2.186 1.00 41.43 O ATOM 322 CB ILE A 21 0.706 -3.033 -0.959 1.00 60.12 C ATOM 323 CG1 ILE A 21 0.907 -1.976 0.129 1.00 34.44 C ATOM 324 CG2 ILE A 21 0.064 -2.416 -2.193 1.00 25.54 C ATOM 325 CD1 ILE A 21 1.934 -0.926 -0.229 1.00 42.01 C ATOM 0 H ILE A 21 1.276 -4.337 1.096 1.00 71.22 H new ATOM 0 HA ILE A 21 -1.120 -3.797 -0.103 1.00 34.34 H new ATOM 0 HB ILE A 21 1.682 -3.427 -1.241 1.00 60.12 H new ATOM 0 HG12 ILE A 21 -0.046 -1.487 0.329 1.00 34.44 H new ATOM 0 HG13 ILE A 21 1.211 -2.470 1.052 1.00 34.44 H new ATOM 0 HG21 ILE A 21 0.686 -1.598 -2.557 1.00 25.54 H new ATOM 0 HG22 ILE A 21 -0.031 -3.173 -2.971 1.00 25.54 H new ATOM 0 HG23 ILE A 21 -0.924 -2.034 -1.936 1.00 25.54 H new ATOM 0 HD11 ILE A 21 2.023 -0.211 0.589 1.00 42.01 H new ATOM 0 HD12 ILE A 21 2.899 -1.404 -0.400 1.00 42.01 H new ATOM 0 HD13 ILE A 21 1.622 -0.405 -1.134 1.00 42.01 H new ATOM 337 N THR A 22 0.625 -6.047 -1.780 1.00 5.25 N ATOM 338 CA THR A 22 0.542 -7.062 -2.821 1.00 45.15 C ATOM 339 C THR A 22 -0.655 -7.979 -2.602 1.00 54.14 C ATOM 340 O THR A 22 -1.240 -8.490 -3.558 1.00 25.11 O ATOM 341 CB THR A 22 1.824 -7.915 -2.876 1.00 71.15 C ATOM 342 OG1 THR A 22 2.965 -7.074 -3.082 1.00 22.01 O ATOM 343 CG2 THR A 22 1.741 -8.946 -3.993 1.00 31.13 C ATOM 0 H THR A 22 1.503 -6.046 -1.261 1.00 5.25 H new ATOM 0 HA THR A 22 0.423 -6.535 -3.768 1.00 45.15 H new ATOM 0 HB THR A 22 1.926 -8.438 -1.925 1.00 71.15 H new ATOM 0 HG1 THR A 22 3.174 -6.597 -2.252 1.00 22.01 H new ATOM 0 HG21 THR A 22 2.657 -9.536 -4.012 1.00 31.13 H new ATOM 0 HG22 THR A 22 0.889 -9.604 -3.819 1.00 31.13 H new ATOM 0 HG23 THR A 22 1.617 -8.437 -4.949 1.00 31.13 H new ATOM 351 N ASP A 23 -1.016 -8.182 -1.340 1.00 41.51 N ATOM 352 CA ASP A 23 -2.147 -9.036 -0.996 1.00 3.42 C ATOM 353 C ASP A 23 -3.425 -8.540 -1.663 1.00 34.01 C ATOM 354 O ASP A 23 -3.954 -9.181 -2.572 1.00 72.51 O ATOM 355 CB ASP A 23 -2.334 -9.084 0.521 1.00 3.02 C ATOM 356 CG ASP A 23 -3.346 -10.129 0.947 1.00 64.25 C ATOM 357 OD1 ASP A 23 -4.560 -9.869 0.817 1.00 61.55 O ATOM 358 OD2 ASP A 23 -2.922 -11.210 1.410 1.00 53.24 O ATOM 0 H ASP A 23 -0.542 -7.767 -0.538 1.00 41.51 H new ATOM 0 HA ASP A 23 -1.935 -10.041 -1.360 1.00 3.42 H new ATOM 0 HB2 ASP A 23 -1.376 -9.296 0.996 1.00 3.02 H new ATOM 0 HB3 ASP A 23 -2.656 -8.105 0.876 1.00 3.02 H new ATOM 363 N LEU A 24 -3.920 -7.394 -1.206 1.00 5.42 N ATOM 364 CA LEU A 24 -5.138 -6.812 -1.758 1.00 2.45 C ATOM 365 C LEU A 24 -5.079 -6.768 -3.281 1.00 24.33 C ATOM 366 O LEU A 24 -6.095 -6.939 -3.958 1.00 3.25 O ATOM 367 CB LEU A 24 -5.348 -5.401 -1.203 1.00 63.22 C ATOM 368 CG LEU A 24 -5.699 -5.309 0.282 1.00 23.23 C ATOM 369 CD1 LEU A 24 -6.002 -3.870 0.670 1.00 25.43 C ATOM 370 CD2 LEU A 24 -6.879 -6.212 0.608 1.00 24.34 C ATOM 0 H LEU A 24 -3.496 -6.850 -0.455 1.00 5.42 H new ATOM 0 HA LEU A 24 -5.978 -7.441 -1.464 1.00 2.45 H new ATOM 0 HB2 LEU A 24 -4.439 -4.825 -1.377 1.00 63.22 H new ATOM 0 HB3 LEU A 24 -6.143 -4.922 -1.774 1.00 63.22 H new ATOM 0 HG LEU A 24 -4.839 -5.646 0.861 1.00 23.23 H new ATOM 0 HD11 LEU A 24 -6.250 -3.824 1.730 1.00 25.43 H new ATOM 0 HD12 LEU A 24 -5.128 -3.249 0.474 1.00 25.43 H new ATOM 0 HD13 LEU A 24 -6.846 -3.505 0.084 1.00 25.43 H new ATOM 0 HD21 LEU A 24 -7.115 -6.134 1.669 1.00 24.34 H new ATOM 0 HD22 LEU A 24 -7.745 -5.906 0.020 1.00 24.34 H new ATOM 0 HD23 LEU A 24 -6.624 -7.244 0.368 1.00 24.34 H new ATOM 382 N LEU A 25 -3.884 -6.541 -3.815 1.00 13.22 N ATOM 383 CA LEU A 25 -3.692 -6.477 -5.259 1.00 55.25 C ATOM 384 C LEU A 25 -4.189 -7.754 -5.932 1.00 40.21 C ATOM 385 O LEU A 25 -4.806 -7.707 -6.996 1.00 51.11 O ATOM 386 CB LEU A 25 -2.214 -6.256 -5.588 1.00 54.24 C ATOM 387 CG LEU A 25 -1.840 -4.861 -6.089 1.00 40.14 C ATOM 388 CD1 LEU A 25 -2.413 -4.620 -7.477 1.00 34.24 C ATOM 389 CD2 LEU A 25 -2.326 -3.797 -5.116 1.00 2.21 C ATOM 0 H LEU A 25 -3.034 -6.398 -3.270 1.00 13.22 H new ATOM 0 HA LEU A 25 -4.272 -5.637 -5.641 1.00 55.25 H new ATOM 0 HB2 LEU A 25 -1.628 -6.469 -4.694 1.00 54.24 H new ATOM 0 HB3 LEU A 25 -1.918 -6.983 -6.344 1.00 54.24 H new ATOM 0 HG LEU A 25 -0.754 -4.798 -6.152 1.00 40.14 H new ATOM 0 HD11 LEU A 25 -2.136 -3.622 -7.817 1.00 34.24 H new ATOM 0 HD12 LEU A 25 -2.015 -5.362 -8.169 1.00 34.24 H new ATOM 0 HD13 LEU A 25 -3.499 -4.703 -7.442 1.00 34.24 H new ATOM 0 HD21 LEU A 25 -2.051 -2.810 -5.489 1.00 2.21 H new ATOM 0 HD22 LEU A 25 -3.410 -3.860 -5.020 1.00 2.21 H new ATOM 0 HD23 LEU A 25 -1.866 -3.958 -4.141 1.00 2.21 H new ATOM 401 N ASP A 26 -3.917 -8.892 -5.302 1.00 53.44 N ATOM 402 CA ASP A 26 -4.339 -10.180 -5.838 1.00 65.53 C ATOM 403 C ASP A 26 -5.859 -10.254 -5.944 1.00 32.24 C ATOM 404 O ASP A 26 -6.407 -10.455 -7.028 1.00 44.43 O ATOM 405 CB ASP A 26 -3.821 -11.317 -4.955 1.00 74.13 C ATOM 406 CG ASP A 26 -4.029 -12.680 -5.586 1.00 32.40 C ATOM 407 OD1 ASP A 26 -5.118 -13.263 -5.395 1.00 61.03 O ATOM 408 OD2 ASP A 26 -3.104 -13.164 -6.270 1.00 63.34 O ATOM 0 H ASP A 26 -3.407 -8.948 -4.421 1.00 53.44 H new ATOM 0 HA ASP A 26 -3.918 -10.285 -6.838 1.00 65.53 H new ATOM 0 HB2 ASP A 26 -2.759 -11.168 -4.761 1.00 74.13 H new ATOM 0 HB3 ASP A 26 -4.329 -11.285 -3.991 1.00 74.13 H new ATOM 413 N ASP A 27 -6.534 -10.091 -4.812 1.00 14.53 N ATOM 414 CA ASP A 27 -7.991 -10.138 -4.776 1.00 75.03 C ATOM 415 C ASP A 27 -8.592 -9.053 -5.665 1.00 3.30 C ATOM 416 O ASP A 27 -9.693 -9.208 -6.194 1.00 43.12 O ATOM 417 CB ASP A 27 -8.494 -9.976 -3.342 1.00 21.31 C ATOM 418 CG ASP A 27 -8.386 -11.259 -2.542 1.00 20.31 C ATOM 419 OD1 ASP A 27 -7.592 -12.140 -2.935 1.00 51.41 O ATOM 420 OD2 ASP A 27 -9.096 -11.384 -1.523 1.00 22.44 O ATOM 0 H ASP A 27 -6.095 -9.925 -3.906 1.00 14.53 H new ATOM 0 HA ASP A 27 -8.307 -11.110 -5.155 1.00 75.03 H new ATOM 0 HB2 ASP A 27 -7.921 -9.193 -2.846 1.00 21.31 H new ATOM 0 HB3 ASP A 27 -9.534 -9.649 -3.360 1.00 21.31 H new ATOM 425 N LEU A 28 -7.862 -7.954 -5.823 1.00 72.43 N ATOM 426 CA LEU A 28 -8.323 -6.842 -6.646 1.00 52.44 C ATOM 427 C LEU A 28 -8.305 -7.215 -8.125 1.00 50.43 C ATOM 428 O LEU A 28 -8.914 -6.539 -8.954 1.00 52.52 O ATOM 429 CB LEU A 28 -7.448 -5.609 -6.409 1.00 31.13 C ATOM 430 CG LEU A 28 -7.993 -4.580 -5.418 1.00 71.45 C ATOM 431 CD1 LEU A 28 -6.909 -3.587 -5.029 1.00 21.12 C ATOM 432 CD2 LEU A 28 -9.195 -3.856 -6.008 1.00 63.14 C ATOM 0 H LEU A 28 -6.949 -7.810 -5.392 1.00 72.43 H new ATOM 0 HA LEU A 28 -9.350 -6.612 -6.360 1.00 52.44 H new ATOM 0 HB2 LEU A 28 -6.472 -5.943 -6.056 1.00 31.13 H new ATOM 0 HB3 LEU A 28 -7.288 -5.113 -7.366 1.00 31.13 H new ATOM 0 HG LEU A 28 -8.315 -5.105 -4.519 1.00 71.45 H new ATOM 0 HD11 LEU A 28 -7.315 -2.863 -4.323 1.00 21.12 H new ATOM 0 HD12 LEU A 28 -6.078 -4.119 -4.565 1.00 21.12 H new ATOM 0 HD13 LEU A 28 -6.555 -3.067 -5.919 1.00 21.12 H new ATOM 0 HD21 LEU A 28 -9.570 -3.128 -5.289 1.00 63.14 H new ATOM 0 HD22 LEU A 28 -8.898 -3.343 -6.923 1.00 63.14 H new ATOM 0 HD23 LEU A 28 -9.979 -4.578 -6.235 1.00 63.14 H new ATOM 552 N SER A 36 -8.889 1.455 -11.318 1.00 3.03 N ATOM 553 CA SER A 36 -7.805 2.389 -11.604 1.00 22.44 C ATOM 554 C SER A 36 -7.106 2.819 -10.318 1.00 10.21 C ATOM 555 O SER A 36 -5.952 3.250 -10.339 1.00 53.22 O ATOM 556 CB SER A 36 -8.344 3.617 -12.340 1.00 33.22 C ATOM 557 OG SER A 36 -9.081 3.239 -13.489 1.00 54.43 O ATOM 0 HA SER A 36 -7.079 1.882 -12.240 1.00 22.44 H new ATOM 0 HB2 SER A 36 -8.980 4.196 -11.670 1.00 33.22 H new ATOM 0 HB3 SER A 36 -7.516 4.263 -12.631 1.00 33.22 H new ATOM 0 HG SER A 36 -9.395 2.316 -13.387 1.00 54.43 H new ATOM 563 N LEU A 37 -7.812 2.699 -9.199 1.00 61.11 N ATOM 564 CA LEU A 37 -7.260 3.074 -7.902 1.00 50.51 C ATOM 565 C LEU A 37 -5.991 2.284 -7.601 1.00 21.14 C ATOM 566 O LEU A 37 -5.084 2.776 -6.928 1.00 62.01 O ATOM 567 CB LEU A 37 -8.294 2.841 -6.799 1.00 53.40 C ATOM 568 CG LEU A 37 -7.884 3.280 -5.392 1.00 53.14 C ATOM 569 CD1 LEU A 37 -7.002 2.226 -4.741 1.00 11.44 C ATOM 570 CD2 LEU A 37 -7.170 4.622 -5.439 1.00 22.35 C ATOM 0 H LEU A 37 -8.768 2.345 -9.164 1.00 61.11 H new ATOM 0 HA LEU A 37 -7.006 4.134 -7.935 1.00 50.51 H new ATOM 0 HB2 LEU A 37 -9.210 3.367 -7.070 1.00 53.40 H new ATOM 0 HB3 LEU A 37 -8.533 1.778 -6.771 1.00 53.40 H new ATOM 0 HG LEU A 37 -8.785 3.393 -4.789 1.00 53.14 H new ATOM 0 HD11 LEU A 37 -6.720 2.555 -3.741 1.00 11.44 H new ATOM 0 HD12 LEU A 37 -7.549 1.286 -4.673 1.00 11.44 H new ATOM 0 HD13 LEU A 37 -6.104 2.081 -5.342 1.00 11.44 H new ATOM 0 HD21 LEU A 37 -6.886 4.918 -4.429 1.00 22.35 H new ATOM 0 HD22 LEU A 37 -6.276 4.537 -6.057 1.00 22.35 H new ATOM 0 HD23 LEU A 37 -7.835 5.373 -5.864 1.00 22.35 H new ATOM 582 N LYS A 38 -5.931 1.056 -8.104 1.00 20.45 N ATOM 583 CA LYS A 38 -4.772 0.196 -7.892 1.00 12.15 C ATOM 584 C LYS A 38 -3.482 0.927 -8.251 1.00 63.41 C ATOM 585 O LYS A 38 -2.418 0.633 -7.704 1.00 70.23 O ATOM 586 CB LYS A 38 -4.899 -1.080 -8.727 1.00 4.32 C ATOM 587 CG LYS A 38 -6.196 -1.834 -8.494 1.00 13.11 C ATOM 588 CD LYS A 38 -6.842 -2.251 -9.805 1.00 4.14 C ATOM 589 CE LYS A 38 -7.809 -3.408 -9.606 1.00 64.22 C ATOM 590 NZ LYS A 38 -8.400 -3.864 -10.895 1.00 44.31 N ATOM 0 H LYS A 38 -6.672 0.633 -8.662 1.00 20.45 H new ATOM 0 HA LYS A 38 -4.736 -0.072 -6.836 1.00 12.15 H new ATOM 0 HB2 LYS A 38 -4.824 -0.822 -9.783 1.00 4.32 H new ATOM 0 HB3 LYS A 38 -4.060 -1.738 -8.499 1.00 4.32 H new ATOM 0 HG2 LYS A 38 -6.000 -2.718 -7.887 1.00 13.11 H new ATOM 0 HG3 LYS A 38 -6.887 -1.207 -7.930 1.00 13.11 H new ATOM 0 HD2 LYS A 38 -7.372 -1.402 -10.237 1.00 4.14 H new ATOM 0 HD3 LYS A 38 -6.069 -2.540 -10.517 1.00 4.14 H new ATOM 0 HE2 LYS A 38 -7.288 -4.239 -9.131 1.00 64.22 H new ATOM 0 HE3 LYS A 38 -8.606 -3.103 -8.929 1.00 64.22 H new ATOM 0 HZ1 LYS A 38 -9.053 -4.653 -10.717 1.00 44.31 H new ATOM 0 HZ2 LYS A 38 -8.919 -3.078 -11.336 1.00 44.31 H new ATOM 0 HZ3 LYS A 38 -7.641 -4.179 -11.532 1.00 44.31 H new ATOM 604 N LYS A 39 -3.582 1.880 -9.171 1.00 33.30 N ATOM 605 CA LYS A 39 -2.425 2.654 -9.601 1.00 44.40 C ATOM 606 C LYS A 39 -1.700 3.261 -8.403 1.00 75.12 C ATOM 607 O LYS A 39 -0.474 3.358 -8.390 1.00 43.44 O ATOM 608 CB LYS A 39 -2.855 3.761 -10.565 1.00 54.53 C ATOM 609 CG LYS A 39 -3.506 4.949 -9.876 1.00 41.45 C ATOM 610 CD LYS A 39 -3.888 6.030 -10.872 1.00 51.53 C ATOM 611 CE LYS A 39 -4.999 5.566 -11.801 1.00 0.01 C ATOM 612 NZ LYS A 39 -5.318 6.585 -12.838 1.00 54.14 N ATOM 0 H LYS A 39 -4.455 2.135 -9.634 1.00 33.30 H new ATOM 0 HA LYS A 39 -1.740 1.980 -10.115 1.00 44.40 H new ATOM 0 HB2 LYS A 39 -1.983 4.107 -11.120 1.00 54.53 H new ATOM 0 HB3 LYS A 39 -3.553 3.347 -11.293 1.00 54.53 H new ATOM 0 HG2 LYS A 39 -4.395 4.617 -9.339 1.00 41.45 H new ATOM 0 HG3 LYS A 39 -2.821 5.361 -9.135 1.00 41.45 H new ATOM 0 HD2 LYS A 39 -4.210 6.923 -10.336 1.00 51.53 H new ATOM 0 HD3 LYS A 39 -3.014 6.309 -11.460 1.00 51.53 H new ATOM 0 HE2 LYS A 39 -4.702 4.636 -12.285 1.00 0.01 H new ATOM 0 HE3 LYS A 39 -5.894 5.350 -11.217 1.00 0.01 H new ATOM 0 HZ1 LYS A 39 -6.080 6.230 -13.451 1.00 54.14 H new ATOM 0 HZ2 LYS A 39 -5.626 7.465 -12.377 1.00 54.14 H new ATOM 0 HZ3 LYS A 39 -4.471 6.773 -13.412 1.00 54.14 H new ATOM 626 N VAL A 40 -2.468 3.668 -7.397 1.00 55.25 N ATOM 627 CA VAL A 40 -1.900 4.263 -6.194 1.00 32.21 C ATOM 628 C VAL A 40 -1.104 3.237 -5.396 1.00 44.14 C ATOM 629 O VAL A 40 0.082 3.433 -5.121 1.00 71.14 O ATOM 630 CB VAL A 40 -2.996 4.859 -5.291 1.00 75.22 C ATOM 631 CG1 VAL A 40 -2.433 5.201 -3.920 1.00 40.22 C ATOM 632 CG2 VAL A 40 -3.615 6.086 -5.944 1.00 2.44 C ATOM 0 H VAL A 40 -3.485 3.596 -7.392 1.00 55.25 H new ATOM 0 HA VAL A 40 -1.234 5.062 -6.521 1.00 32.21 H new ATOM 0 HB VAL A 40 -3.779 4.112 -5.159 1.00 75.22 H new ATOM 0 HG11 VAL A 40 -3.223 5.621 -3.297 1.00 40.22 H new ATOM 0 HG12 VAL A 40 -2.042 4.298 -3.451 1.00 40.22 H new ATOM 0 HG13 VAL A 40 -1.630 5.930 -4.028 1.00 40.22 H new ATOM 0 HG21 VAL A 40 -4.387 6.494 -5.292 1.00 2.44 H new ATOM 0 HG22 VAL A 40 -2.844 6.839 -6.109 1.00 2.44 H new ATOM 0 HG23 VAL A 40 -4.058 5.805 -6.900 1.00 2.44 H new ATOM 642 N LEU A 41 -1.759 2.142 -5.028 1.00 13.42 N ATOM 643 CA LEU A 41 -1.113 1.083 -4.262 1.00 45.45 C ATOM 644 C LEU A 41 0.093 0.527 -5.014 1.00 72.41 C ATOM 645 O LEU A 41 1.190 0.435 -4.465 1.00 40.04 O ATOM 646 CB LEU A 41 -2.107 -0.040 -3.967 1.00 23.22 C ATOM 647 CG LEU A 41 -3.265 0.316 -3.036 1.00 11.54 C ATOM 648 CD1 LEU A 41 -4.554 -0.336 -3.512 1.00 74.12 C ATOM 649 CD2 LEU A 41 -2.950 -0.103 -1.607 1.00 14.11 C ATOM 0 H LEU A 41 -2.739 1.964 -5.248 1.00 13.42 H new ATOM 0 HA LEU A 41 -0.767 1.508 -3.320 1.00 45.45 H new ATOM 0 HB2 LEU A 41 -2.522 -0.389 -4.913 1.00 23.22 H new ATOM 0 HB3 LEU A 41 -1.561 -0.876 -3.531 1.00 23.22 H new ATOM 0 HG LEU A 41 -3.400 1.397 -3.055 1.00 11.54 H new ATOM 0 HD11 LEU A 41 -5.367 -0.071 -2.836 1.00 74.12 H new ATOM 0 HD12 LEU A 41 -4.789 0.014 -4.517 1.00 74.12 H new ATOM 0 HD13 LEU A 41 -4.431 -1.419 -3.524 1.00 74.12 H new ATOM 0 HD21 LEU A 41 -3.786 0.159 -0.958 1.00 14.11 H new ATOM 0 HD22 LEU A 41 -2.786 -1.180 -1.571 1.00 14.11 H new ATOM 0 HD23 LEU A 41 -2.052 0.412 -1.266 1.00 14.11 H new ATOM 661 N GLU A 42 -0.120 0.158 -6.274 1.00 12.14 N ATOM 662 CA GLU A 42 0.950 -0.387 -7.101 1.00 71.22 C ATOM 663 C GLU A 42 2.127 0.581 -7.175 1.00 65.41 C ATOM 664 O GLU A 42 3.270 0.205 -6.915 1.00 22.25 O ATOM 665 CB GLU A 42 0.433 -0.688 -8.509 1.00 25.02 C ATOM 666 CG GLU A 42 -0.366 -1.977 -8.602 1.00 25.13 C ATOM 667 CD GLU A 42 -0.091 -2.743 -9.882 1.00 12.23 C ATOM 668 OE1 GLU A 42 0.159 -2.094 -10.920 1.00 23.34 O ATOM 669 OE2 GLU A 42 -0.127 -3.990 -9.846 1.00 72.23 O ATOM 0 H GLU A 42 -1.023 0.227 -6.743 1.00 12.14 H new ATOM 0 HA GLU A 42 1.293 -1.314 -6.642 1.00 71.22 H new ATOM 0 HB2 GLU A 42 -0.191 0.141 -8.843 1.00 25.02 H new ATOM 0 HB3 GLU A 42 1.280 -0.745 -9.193 1.00 25.02 H new ATOM 0 HG2 GLU A 42 -0.129 -2.609 -7.746 1.00 25.13 H new ATOM 0 HG3 GLU A 42 -1.430 -1.746 -8.543 1.00 25.13 H new ATOM 676 N ASN A 43 1.840 1.827 -7.534 1.00 31.43 N ATOM 677 CA ASN A 43 2.874 2.849 -7.644 1.00 24.12 C ATOM 678 C ASN A 43 3.646 2.986 -6.334 1.00 51.13 C ATOM 679 O ASN A 43 4.838 2.686 -6.269 1.00 73.21 O ATOM 680 CB ASN A 43 2.254 4.194 -8.026 1.00 30.41 C ATOM 681 CG ASN A 43 3.301 5.251 -8.322 1.00 34.24 C ATOM 682 OD1 ASN A 43 4.189 5.506 -7.508 1.00 71.11 O ATOM 683 ND2 ASN A 43 3.200 5.872 -9.491 1.00 45.01 N ATOM 0 H ASN A 43 0.899 2.154 -7.754 1.00 31.43 H new ATOM 0 HA ASN A 43 3.570 2.543 -8.425 1.00 24.12 H new ATOM 0 HB2 ASN A 43 1.618 4.062 -8.901 1.00 30.41 H new ATOM 0 HB3 ASN A 43 1.613 4.539 -7.215 1.00 30.41 H new ATOM 0 HD21 ASN A 43 3.875 6.593 -9.745 1.00 45.01 H new ATOM 0 HD22 ASN A 43 2.447 5.628 -10.135 1.00 45.01 H new ATOM 690 N TYR A 44 2.957 3.442 -5.293 1.00 74.44 N ATOM 691 CA TYR A 44 3.576 3.620 -3.986 1.00 30.11 C ATOM 692 C TYR A 44 4.316 2.356 -3.556 1.00 10.33 C ATOM 693 O TYR A 44 5.393 2.424 -2.963 1.00 14.31 O ATOM 694 CB TYR A 44 2.519 3.985 -2.943 1.00 14.14 C ATOM 695 CG TYR A 44 2.159 5.454 -2.935 1.00 21.54 C ATOM 696 CD1 TYR A 44 3.128 6.425 -2.716 1.00 54.21 C ATOM 697 CD2 TYR A 44 0.850 5.870 -3.141 1.00 74.23 C ATOM 698 CE1 TYR A 44 2.804 7.768 -2.707 1.00 73.11 C ATOM 699 CE2 TYR A 44 0.516 7.210 -3.135 1.00 42.42 C ATOM 700 CZ TYR A 44 1.496 8.156 -2.918 1.00 24.44 C ATOM 701 OH TYR A 44 1.168 9.492 -2.909 1.00 23.33 O ATOM 0 H TYR A 44 1.970 3.695 -5.330 1.00 74.44 H new ATOM 0 HA TYR A 44 4.298 4.433 -4.062 1.00 30.11 H new ATOM 0 HB2 TYR A 44 1.619 3.400 -3.130 1.00 14.14 H new ATOM 0 HB3 TYR A 44 2.883 3.703 -1.955 1.00 14.14 H new ATOM 0 HD1 TYR A 44 4.152 6.125 -2.550 1.00 54.21 H new ATOM 0 HD2 TYR A 44 0.079 5.132 -3.309 1.00 74.23 H new ATOM 0 HE1 TYR A 44 3.570 8.510 -2.536 1.00 73.11 H new ATOM 0 HE2 TYR A 44 -0.507 7.515 -3.299 1.00 42.42 H new ATOM 0 HH TYR A 44 0.255 9.607 -3.247 1.00 23.33 H new ATOM 711 N LEU A 45 3.730 1.204 -3.860 1.00 33.33 N ATOM 712 CA LEU A 45 4.332 -0.077 -3.507 1.00 51.11 C ATOM 713 C LEU A 45 5.732 -0.203 -4.100 1.00 21.35 C ATOM 714 O LEU A 45 6.642 -0.725 -3.459 1.00 64.52 O ATOM 715 CB LEU A 45 3.453 -1.229 -3.997 1.00 34.41 C ATOM 716 CG LEU A 45 4.121 -2.602 -4.067 1.00 5.45 C ATOM 717 CD1 LEU A 45 4.655 -3.005 -2.701 1.00 62.54 C ATOM 718 CD2 LEU A 45 3.145 -3.645 -4.591 1.00 63.23 C ATOM 0 H LEU A 45 2.839 1.130 -4.350 1.00 33.33 H new ATOM 0 HA LEU A 45 4.412 -0.125 -2.421 1.00 51.11 H new ATOM 0 HB2 LEU A 45 2.586 -1.302 -3.340 1.00 34.41 H new ATOM 0 HB3 LEU A 45 3.080 -0.978 -4.990 1.00 34.41 H new ATOM 0 HG LEU A 45 4.961 -2.542 -4.759 1.00 5.45 H new ATOM 0 HD11 LEU A 45 5.127 -3.985 -2.770 1.00 62.54 H new ATOM 0 HD12 LEU A 45 5.388 -2.271 -2.366 1.00 62.54 H new ATOM 0 HD13 LEU A 45 3.833 -3.048 -1.987 1.00 62.54 H new ATOM 0 HD21 LEU A 45 3.638 -4.616 -4.634 1.00 63.23 H new ATOM 0 HD22 LEU A 45 2.284 -3.705 -3.925 1.00 63.23 H new ATOM 0 HD23 LEU A 45 2.812 -3.363 -5.590 1.00 63.23 H new ATOM 730 N GLU A 46 5.894 0.282 -5.327 1.00 23.10 N ATOM 731 CA GLU A 46 7.184 0.224 -6.006 1.00 0.24 C ATOM 732 C GLU A 46 8.200 1.135 -5.320 1.00 71.05 C ATOM 733 O GLU A 46 9.408 0.920 -5.423 1.00 34.11 O ATOM 734 CB GLU A 46 7.031 0.625 -7.474 1.00 1.41 C ATOM 735 CG GLU A 46 7.337 2.090 -7.741 1.00 24.35 C ATOM 736 CD GLU A 46 6.637 2.617 -8.977 1.00 50.21 C ATOM 737 OE1 GLU A 46 6.368 1.814 -9.895 1.00 24.22 O ATOM 738 OE2 GLU A 46 6.356 3.833 -9.026 1.00 44.41 O ATOM 0 H GLU A 46 5.150 0.719 -5.871 1.00 23.10 H new ATOM 0 HA GLU A 46 7.548 -0.802 -5.954 1.00 0.24 H new ATOM 0 HB2 GLU A 46 7.693 0.008 -8.081 1.00 1.41 H new ATOM 0 HB3 GLU A 46 6.012 0.411 -7.796 1.00 1.41 H new ATOM 0 HG2 GLU A 46 7.036 2.683 -6.877 1.00 24.35 H new ATOM 0 HG3 GLU A 46 8.413 2.217 -7.856 1.00 24.35 H new ATOM 745 N GLU A 47 7.700 2.151 -4.624 1.00 41.45 N ATOM 746 CA GLU A 47 8.564 3.095 -3.925 1.00 64.43 C ATOM 747 C GLU A 47 9.346 2.396 -2.816 1.00 54.31 C ATOM 748 O GLU A 47 10.543 2.633 -2.641 1.00 72.32 O ATOM 749 CB GLU A 47 7.736 4.239 -3.337 1.00 42.13 C ATOM 750 CG GLU A 47 6.821 4.910 -4.348 1.00 62.33 C ATOM 751 CD GLU A 47 7.564 5.858 -5.270 1.00 65.52 C ATOM 752 OE1 GLU A 47 8.156 5.379 -6.260 1.00 65.22 O ATOM 753 OE2 GLU A 47 7.556 7.076 -5.000 1.00 52.24 O ATOM 0 H GLU A 47 6.702 2.341 -4.529 1.00 41.45 H new ATOM 0 HA GLU A 47 9.273 3.503 -4.645 1.00 64.43 H new ATOM 0 HB2 GLU A 47 7.134 3.855 -2.514 1.00 42.13 H new ATOM 0 HB3 GLU A 47 8.410 4.986 -2.918 1.00 42.13 H new ATOM 0 HG2 GLU A 47 6.322 4.146 -4.944 1.00 62.33 H new ATOM 0 HG3 GLU A 47 6.043 5.460 -3.819 1.00 62.33 H new ATOM 760 N LEU A 48 8.663 1.537 -2.069 1.00 14.30 N ATOM 761 CA LEU A 48 9.292 0.804 -0.976 1.00 0.31 C ATOM 762 C LEU A 48 10.560 0.102 -1.450 1.00 2.22 C ATOM 763 O LEU A 48 11.508 -0.077 -0.684 1.00 51.50 O ATOM 764 CB LEU A 48 8.316 -0.220 -0.393 1.00 3.42 C ATOM 765 CG LEU A 48 7.103 0.352 0.342 1.00 2.22 C ATOM 766 CD1 LEU A 48 5.814 -0.198 -0.247 1.00 12.10 C ATOM 767 CD2 LEU A 48 7.187 0.043 1.830 1.00 13.43 C ATOM 0 H LEU A 48 7.673 1.330 -2.200 1.00 14.30 H new ATOM 0 HA LEU A 48 9.563 1.520 -0.200 1.00 0.31 H new ATOM 0 HB2 LEU A 48 7.958 -0.854 -1.204 1.00 3.42 H new ATOM 0 HB3 LEU A 48 8.864 -0.863 0.296 1.00 3.42 H new ATOM 0 HG LEU A 48 7.103 1.435 0.216 1.00 2.22 H new ATOM 0 HD11 LEU A 48 4.962 0.220 0.289 1.00 12.10 H new ATOM 0 HD12 LEU A 48 5.750 0.075 -1.300 1.00 12.10 H new ATOM 0 HD13 LEU A 48 5.805 -1.284 -0.152 1.00 12.10 H new ATOM 0 HD21 LEU A 48 6.316 0.457 2.337 1.00 13.43 H new ATOM 0 HD22 LEU A 48 7.213 -1.037 1.976 1.00 13.43 H new ATOM 0 HD23 LEU A 48 8.093 0.487 2.243 1.00 13.43 H new ATOM 779 N LYS A 49 10.573 -0.293 -2.719 1.00 35.53 N ATOM 780 CA LYS A 49 11.724 -0.973 -3.298 1.00 5.33 C ATOM 781 C LYS A 49 12.758 0.034 -3.793 1.00 33.32 C ATOM 782 O LYS A 49 13.961 -0.216 -3.730 1.00 65.11 O ATOM 783 CB LYS A 49 11.283 -1.876 -4.451 1.00 63.11 C ATOM 784 CG LYS A 49 10.318 -2.972 -4.031 1.00 45.44 C ATOM 785 CD LYS A 49 8.875 -2.505 -4.114 1.00 30.33 C ATOM 786 CE LYS A 49 8.048 -3.408 -5.015 1.00 13.13 C ATOM 787 NZ LYS A 49 8.551 -3.403 -6.417 1.00 31.52 N ATOM 0 H LYS A 49 9.797 -0.153 -3.366 1.00 35.53 H new ATOM 0 HA LYS A 49 12.181 -1.585 -2.521 1.00 5.33 H new ATOM 0 HB2 LYS A 49 10.812 -1.264 -5.221 1.00 63.11 H new ATOM 0 HB3 LYS A 49 12.164 -2.333 -4.901 1.00 63.11 H new ATOM 0 HG2 LYS A 49 10.456 -3.844 -4.670 1.00 45.44 H new ATOM 0 HG3 LYS A 49 10.542 -3.285 -3.011 1.00 45.44 H new ATOM 0 HD2 LYS A 49 8.439 -2.488 -3.115 1.00 30.33 H new ATOM 0 HD3 LYS A 49 8.843 -1.484 -4.493 1.00 30.33 H new ATOM 0 HE2 LYS A 49 8.068 -4.426 -4.626 1.00 13.13 H new ATOM 0 HE3 LYS A 49 7.008 -3.081 -5.001 1.00 13.13 H new ATOM 0 HZ1 LYS A 49 7.786 -3.687 -7.061 1.00 31.52 H new ATOM 0 HZ2 LYS A 49 8.877 -2.447 -6.666 1.00 31.52 H new ATOM 0 HZ3 LYS A 49 9.343 -4.072 -6.504 1.00 31.52 H new ATOM 801 N GLN A 50 12.280 1.172 -4.285 1.00 31.14 N ATOM 802 CA GLN A 50 13.163 2.216 -4.790 1.00 14.33 C ATOM 803 C GLN A 50 13.779 3.010 -3.642 1.00 43.40 C ATOM 804 O GLN A 50 13.466 2.780 -2.474 1.00 13.01 O ATOM 805 CB GLN A 50 12.397 3.156 -5.722 1.00 35.24 C ATOM 806 CG GLN A 50 11.853 2.470 -6.965 1.00 1.34 C ATOM 807 CD GLN A 50 12.885 2.366 -8.071 1.00 74.52 C ATOM 808 OE1 GLN A 50 14.031 2.785 -7.908 1.00 52.10 O ATOM 809 NE2 GLN A 50 12.482 1.802 -9.204 1.00 1.41 N ATOM 0 H GLN A 50 11.286 1.394 -4.345 1.00 31.14 H new ATOM 0 HA GLN A 50 13.967 1.737 -5.350 1.00 14.33 H new ATOM 0 HB2 GLN A 50 11.569 3.604 -5.172 1.00 35.24 H new ATOM 0 HB3 GLN A 50 13.056 3.970 -6.025 1.00 35.24 H new ATOM 0 HG2 GLN A 50 11.506 1.471 -6.702 1.00 1.34 H new ATOM 0 HG3 GLN A 50 10.987 3.022 -7.331 1.00 1.34 H new ATOM 0 HE21 GLN A 50 11.522 1.469 -9.295 1.00 1.41 H new ATOM 0 HE22 GLN A 50 13.132 1.702 -9.983 1.00 1.41 H new ATOM 818 N LYS A 51 14.659 3.947 -3.982 1.00 54.23 N ATOM 819 CA LYS A 51 15.319 4.776 -2.982 1.00 2.13 C ATOM 820 C LYS A 51 14.888 6.234 -3.112 1.00 74.24 C ATOM 821 O LYS A 51 15.457 7.119 -2.473 1.00 74.12 O ATOM 822 CB LYS A 51 16.839 4.669 -3.124 1.00 1.11 C ATOM 823 CG LYS A 51 17.338 4.919 -4.536 1.00 3.22 C ATOM 824 CD LYS A 51 18.854 4.853 -4.613 1.00 11.22 C ATOM 825 CE LYS A 51 19.340 3.430 -4.838 1.00 70.30 C ATOM 826 NZ LYS A 51 19.179 3.007 -6.257 1.00 64.53 N ATOM 0 H LYS A 51 14.931 4.150 -4.944 1.00 54.23 H new ATOM 0 HA LYS A 51 15.025 4.415 -1.996 1.00 2.13 H new ATOM 0 HB2 LYS A 51 17.310 5.384 -2.450 1.00 1.11 H new ATOM 0 HB3 LYS A 51 17.156 3.676 -2.806 1.00 1.11 H new ATOM 0 HG2 LYS A 51 16.906 4.180 -5.211 1.00 3.22 H new ATOM 0 HG3 LYS A 51 16.998 5.898 -4.875 1.00 3.22 H new ATOM 0 HD2 LYS A 51 19.206 5.491 -5.424 1.00 11.22 H new ATOM 0 HD3 LYS A 51 19.283 5.243 -3.690 1.00 11.22 H new ATOM 0 HE2 LYS A 51 20.390 3.355 -4.554 1.00 70.30 H new ATOM 0 HE3 LYS A 51 18.785 2.750 -4.191 1.00 70.30 H new ATOM 0 HZ1 LYS A 51 19.039 1.977 -6.299 1.00 64.53 H new ATOM 0 HZ2 LYS A 51 18.354 3.486 -6.670 1.00 64.53 H new ATOM 0 HZ3 LYS A 51 20.032 3.262 -6.794 1.00 64.53 H new ATOM 840 N SER A 52 13.879 6.475 -3.943 1.00 34.13 N ATOM 841 CA SER A 52 13.373 7.826 -4.159 1.00 71.32 C ATOM 842 C SER A 52 12.348 8.199 -3.092 1.00 22.10 C ATOM 843 O SER A 52 11.762 9.280 -3.130 1.00 31.41 O ATOM 844 CB SER A 52 12.745 7.942 -5.549 1.00 54.22 C ATOM 845 OG SER A 52 13.659 7.548 -6.557 1.00 63.10 O ATOM 0 H SER A 52 13.396 5.753 -4.478 1.00 34.13 H new ATOM 0 HA SER A 52 14.213 8.518 -4.089 1.00 71.32 H new ATOM 0 HB2 SER A 52 11.852 7.320 -5.601 1.00 54.22 H new ATOM 0 HB3 SER A 52 12.428 8.970 -5.723 1.00 54.22 H new ATOM 0 HG SER A 52 13.232 7.630 -7.435 1.00 63.10 H new ATOM 851 N ALA A 53 12.137 7.294 -2.141 1.00 70.15 N ATOM 852 CA ALA A 53 11.185 7.528 -1.063 1.00 74.41 C ATOM 853 C ALA A 53 11.393 6.537 0.077 1.00 2.10 C ATOM 854 O ALA A 53 11.614 5.348 -0.152 1.00 74.45 O ATOM 855 CB ALA A 53 9.759 7.438 -1.588 1.00 41.52 C ATOM 0 H ALA A 53 12.613 6.393 -2.096 1.00 70.15 H new ATOM 0 HA ALA A 53 11.355 8.532 -0.674 1.00 74.41 H new ATOM 0 HB1 ALA A 53 9.059 7.615 -0.772 1.00 41.52 H new ATOM 0 HB2 ALA A 53 9.609 8.189 -2.364 1.00 41.52 H new ATOM 0 HB3 ALA A 53 9.587 6.446 -2.005 1.00 41.52 H new ATOM 861 N SER A 54 11.324 7.034 1.308 1.00 50.20 N ATOM 862 CA SER A 54 11.509 6.193 2.484 1.00 1.33 C ATOM 863 C SER A 54 10.269 5.344 2.747 1.00 1.32 C ATOM 864 O SER A 54 9.163 5.699 2.342 1.00 15.31 O ATOM 865 CB SER A 54 11.820 7.056 3.710 1.00 63.20 C ATOM 866 OG SER A 54 12.419 8.282 3.331 1.00 2.53 O ATOM 0 H SER A 54 11.141 8.016 1.516 1.00 50.20 H new ATOM 0 HA SER A 54 12.350 5.526 2.294 1.00 1.33 H new ATOM 0 HB2 SER A 54 10.902 7.252 4.263 1.00 63.20 H new ATOM 0 HB3 SER A 54 12.487 6.514 4.381 1.00 63.20 H new ATOM 0 HG SER A 54 12.664 8.788 4.134 1.00 2.53 H new ATOM 872 N VAL A 55 10.463 4.220 3.429 1.00 53.21 N ATOM 873 CA VAL A 55 9.361 3.320 3.747 1.00 42.24 C ATOM 874 C VAL A 55 8.209 4.072 4.403 1.00 10.33 C ATOM 875 O VAL A 55 7.076 4.063 3.923 1.00 75.11 O ATOM 876 CB VAL A 55 9.817 2.184 4.682 1.00 2.03 C ATOM 877 CG1 VAL A 55 8.672 1.740 5.581 1.00 2.32 C ATOM 878 CG2 VAL A 55 10.356 1.013 3.874 1.00 21.03 C ATOM 0 H VAL A 55 11.373 3.911 3.772 1.00 53.21 H new ATOM 0 HA VAL A 55 9.020 2.891 2.805 1.00 42.24 H new ATOM 0 HB VAL A 55 10.621 2.559 5.316 1.00 2.03 H new ATOM 0 HG11 VAL A 55 9.013 0.937 6.234 1.00 2.32 H new ATOM 0 HG12 VAL A 55 8.337 2.582 6.186 1.00 2.32 H new ATOM 0 HG13 VAL A 55 7.845 1.382 4.967 1.00 2.32 H new ATOM 0 HG21 VAL A 55 10.674 0.220 4.551 1.00 21.03 H new ATOM 0 HG22 VAL A 55 9.575 0.636 3.214 1.00 21.03 H new ATOM 0 HG23 VAL A 55 11.206 1.343 3.278 1.00 21.03 H new ATOM 888 N PRO A 56 8.503 4.741 5.528 1.00 41.04 N ATOM 889 CA PRO A 56 7.505 5.513 6.274 1.00 21.20 C ATOM 890 C PRO A 56 7.064 6.767 5.527 1.00 72.03 C ATOM 891 O PRO A 56 6.037 7.364 5.848 1.00 15.43 O ATOM 892 CB PRO A 56 8.238 5.888 7.564 1.00 44.42 C ATOM 893 CG PRO A 56 9.683 5.872 7.197 1.00 32.41 C ATOM 894 CD PRO A 56 9.833 4.796 6.158 1.00 74.04 C ATOM 0 HA PRO A 56 6.590 4.944 6.438 1.00 21.20 H new ATOM 0 HB2 PRO A 56 7.931 6.871 7.922 1.00 44.42 H new ATOM 0 HB3 PRO A 56 8.024 5.177 8.362 1.00 44.42 H new ATOM 0 HG2 PRO A 56 9.997 6.839 6.805 1.00 32.41 H new ATOM 0 HG3 PRO A 56 10.305 5.663 8.068 1.00 32.41 H new ATOM 0 HD2 PRO A 56 10.610 5.042 5.434 1.00 74.04 H new ATOM 0 HD3 PRO A 56 10.105 3.840 6.606 1.00 74.04 H new ATOM 902 N LEU A 57 7.847 7.160 4.529 1.00 53.32 N ATOM 903 CA LEU A 57 7.538 8.345 3.735 1.00 72.04 C ATOM 904 C LEU A 57 6.517 8.020 2.648 1.00 31.30 C ATOM 905 O LEU A 57 5.773 8.893 2.201 1.00 11.22 O ATOM 906 CB LEU A 57 8.812 8.906 3.102 1.00 43.15 C ATOM 907 CG LEU A 57 9.460 10.084 3.830 1.00 52.35 C ATOM 908 CD1 LEU A 57 9.852 9.686 5.244 1.00 43.41 C ATOM 909 CD2 LEU A 57 10.673 10.585 3.059 1.00 4.13 C ATOM 0 H LEU A 57 8.700 6.676 4.250 1.00 53.32 H new ATOM 0 HA LEU A 57 7.109 9.096 4.399 1.00 72.04 H new ATOM 0 HB2 LEU A 57 9.544 8.101 3.032 1.00 43.15 H new ATOM 0 HB3 LEU A 57 8.581 9.217 2.083 1.00 43.15 H new ATOM 0 HG LEU A 57 8.733 10.894 3.891 1.00 52.35 H new ATOM 0 HD11 LEU A 57 10.312 10.537 5.747 1.00 43.41 H new ATOM 0 HD12 LEU A 57 8.964 9.376 5.794 1.00 43.41 H new ATOM 0 HD13 LEU A 57 10.562 8.860 5.206 1.00 43.41 H new ATOM 0 HD21 LEU A 57 11.122 11.424 3.592 1.00 4.13 H new ATOM 0 HD22 LEU A 57 11.403 9.781 2.967 1.00 4.13 H new ATOM 0 HD23 LEU A 57 10.364 10.910 2.065 1.00 4.13 H new ATOM 921 N ILE A 58 6.486 6.760 2.231 1.00 70.53 N ATOM 922 CA ILE A 58 5.554 6.319 1.200 1.00 3.22 C ATOM 923 C ILE A 58 4.213 5.920 1.806 1.00 73.22 C ATOM 924 O ILE A 58 3.156 6.339 1.333 1.00 1.43 O ATOM 925 CB ILE A 58 6.119 5.129 0.401 1.00 51.11 C ATOM 926 CG1 ILE A 58 7.442 5.516 -0.264 1.00 71.23 C ATOM 927 CG2 ILE A 58 5.112 4.664 -0.640 1.00 13.31 C ATOM 928 CD1 ILE A 58 8.478 4.414 -0.232 1.00 55.03 C ATOM 0 H ILE A 58 7.095 6.025 2.591 1.00 70.53 H new ATOM 0 HA ILE A 58 5.408 7.162 0.525 1.00 3.22 H new ATOM 0 HB ILE A 58 6.307 4.305 1.089 1.00 51.11 H new ATOM 0 HG12 ILE A 58 7.251 5.794 -1.300 1.00 71.23 H new ATOM 0 HG13 ILE A 58 7.845 6.398 0.234 1.00 71.23 H new ATOM 0 HG21 ILE A 58 5.526 3.823 -1.196 1.00 13.31 H new ATOM 0 HG22 ILE A 58 4.193 4.354 -0.144 1.00 13.31 H new ATOM 0 HG23 ILE A 58 4.895 5.482 -1.327 1.00 13.31 H new ATOM 0 HD11 ILE A 58 9.390 4.758 -0.721 1.00 55.03 H new ATOM 0 HD12 ILE A 58 8.698 4.151 0.803 1.00 55.03 H new ATOM 0 HD13 ILE A 58 8.094 3.538 -0.755 1.00 55.03 H new ATOM 940 N LEU A 59 4.263 5.107 2.855 1.00 11.03 N ATOM 941 CA LEU A 59 3.051 4.651 3.528 1.00 2.23 C ATOM 942 C LEU A 59 2.231 5.834 4.033 1.00 53.54 C ATOM 943 O LEU A 59 1.002 5.774 4.084 1.00 52.10 O ATOM 944 CB LEU A 59 3.408 3.730 4.695 1.00 64.43 C ATOM 945 CG LEU A 59 4.003 2.372 4.321 1.00 61.31 C ATOM 946 CD1 LEU A 59 4.624 1.706 5.539 1.00 1.34 C ATOM 947 CD2 LEU A 59 2.938 1.475 3.705 1.00 24.24 C ATOM 0 H LEU A 59 5.129 4.750 3.258 1.00 11.03 H new ATOM 0 HA LEU A 59 2.451 4.097 2.806 1.00 2.23 H new ATOM 0 HB2 LEU A 59 4.118 4.250 5.338 1.00 64.43 H new ATOM 0 HB3 LEU A 59 2.508 3.560 5.286 1.00 64.43 H new ATOM 0 HG LEU A 59 4.788 2.532 3.582 1.00 61.31 H new ATOM 0 HD11 LEU A 59 5.042 0.741 5.253 1.00 1.34 H new ATOM 0 HD12 LEU A 59 5.416 2.341 5.937 1.00 1.34 H new ATOM 0 HD13 LEU A 59 3.860 1.558 6.302 1.00 1.34 H new ATOM 0 HD21 LEU A 59 3.379 0.513 3.445 1.00 24.24 H new ATOM 0 HD22 LEU A 59 2.131 1.323 4.422 1.00 24.24 H new ATOM 0 HD23 LEU A 59 2.540 1.947 2.806 1.00 24.24 H new ATOM 959 N SER A 60 2.919 6.910 4.401 1.00 14.43 N ATOM 960 CA SER A 60 2.253 8.107 4.903 1.00 51.33 C ATOM 961 C SER A 60 1.404 8.754 3.812 1.00 35.35 C ATOM 962 O SER A 60 0.196 8.928 3.973 1.00 21.04 O ATOM 963 CB SER A 60 3.285 9.110 5.422 1.00 22.44 C ATOM 964 OG SER A 60 3.895 8.643 6.614 1.00 62.23 O ATOM 0 H SER A 60 3.936 6.978 4.361 1.00 14.43 H new ATOM 0 HA SER A 60 1.598 7.812 5.723 1.00 51.33 H new ATOM 0 HB2 SER A 60 4.047 9.279 4.661 1.00 22.44 H new ATOM 0 HB3 SER A 60 2.803 10.070 5.608 1.00 22.44 H new ATOM 0 HG SER A 60 4.515 7.915 6.401 1.00 62.23 H new ATOM 970 N ARG A 61 2.045 9.108 2.704 1.00 32.20 N ATOM 971 CA ARG A 61 1.349 9.736 1.586 1.00 24.25 C ATOM 972 C ARG A 61 0.339 8.776 0.967 1.00 55.43 C ATOM 973 O ARG A 61 -0.749 9.183 0.558 1.00 31.14 O ATOM 974 CB ARG A 61 2.353 10.192 0.526 1.00 52.43 C ATOM 975 CG ARG A 61 2.795 11.638 0.687 1.00 32.32 C ATOM 976 CD ARG A 61 3.994 11.752 1.616 1.00 51.41 C ATOM 977 NE ARG A 61 4.612 13.075 1.550 1.00 31.41 N ATOM 978 CZ ARG A 61 5.645 13.441 2.302 1.00 75.02 C ATOM 979 NH1 ARG A 61 6.171 12.590 3.171 1.00 41.00 N ATOM 980 NH2 ARG A 61 6.152 14.661 2.184 1.00 2.33 N ATOM 0 H ARG A 61 3.045 8.971 2.555 1.00 32.20 H new ATOM 0 HA ARG A 61 0.812 10.605 1.966 1.00 24.25 H new ATOM 0 HB2 ARG A 61 3.230 9.546 0.567 1.00 52.43 H new ATOM 0 HB3 ARG A 61 1.909 10.064 -0.461 1.00 52.43 H new ATOM 0 HG2 ARG A 61 3.048 12.053 -0.288 1.00 32.32 H new ATOM 0 HG3 ARG A 61 1.970 12.231 1.082 1.00 32.32 H new ATOM 0 HD2 ARG A 61 3.680 11.549 2.640 1.00 51.41 H new ATOM 0 HD3 ARG A 61 4.731 10.994 1.352 1.00 51.41 H new ATOM 0 HE ARG A 61 4.230 13.754 0.891 1.00 31.41 H new ATOM 0 HH11 ARG A 61 5.783 11.651 3.264 1.00 41.00 H new ATOM 0 HH12 ARG A 61 6.964 12.874 3.747 1.00 41.00 H new ATOM 0 HH21 ARG A 61 5.749 15.318 1.516 1.00 2.33 H new ATOM 0 HH22 ARG A 61 6.945 14.942 2.761 1.00 2.33 H new ATOM 994 N MET A 62 0.706 7.501 0.899 1.00 55.32 N ATOM 995 CA MET A 62 -0.170 6.484 0.329 1.00 61.54 C ATOM 996 C MET A 62 -1.549 6.525 0.980 1.00 4.42 C ATOM 997 O MET A 62 -2.559 6.718 0.305 1.00 31.10 O ATOM 998 CB MET A 62 0.446 5.094 0.502 1.00 21.34 C ATOM 999 CG MET A 62 -0.406 3.974 -0.072 1.00 52.51 C ATOM 1000 SD MET A 62 0.337 2.348 0.155 1.00 43.24 S ATOM 1001 CE MET A 62 -0.595 1.742 1.558 1.00 71.31 C ATOM 0 H MET A 62 1.603 7.147 1.231 1.00 55.32 H new ATOM 0 HA MET A 62 -0.283 6.694 -0.734 1.00 61.54 H new ATOM 0 HB2 MET A 62 1.424 5.077 0.022 1.00 21.34 H new ATOM 0 HB3 MET A 62 0.609 4.908 1.564 1.00 21.34 H new ATOM 0 HG2 MET A 62 -1.387 3.990 0.402 1.00 52.51 H new ATOM 0 HG3 MET A 62 -0.563 4.152 -1.136 1.00 52.51 H new ATOM 0 HE1 MET A 62 -0.250 0.742 1.820 1.00 71.31 H new ATOM 0 HE2 MET A 62 -0.450 2.410 2.407 1.00 71.31 H new ATOM 0 HE3 MET A 62 -1.654 1.705 1.303 1.00 71.31 H new ATOM 1011 N ASN A 63 -1.583 6.344 2.297 1.00 50.44 N ATOM 1012 CA ASN A 63 -2.838 6.361 3.039 1.00 71.10 C ATOM 1013 C ASN A 63 -3.634 7.625 2.732 1.00 74.01 C ATOM 1014 O ASN A 63 -4.817 7.560 2.393 1.00 42.32 O ATOM 1015 CB ASN A 63 -2.567 6.268 4.541 1.00 4.03 C ATOM 1016 CG ASN A 63 -3.770 5.762 5.316 1.00 42.41 C ATOM 1017 OD1 ASN A 63 -4.899 5.808 4.829 1.00 42.14 O ATOM 1018 ND2 ASN A 63 -3.531 5.276 6.528 1.00 22.25 N ATOM 0 H ASN A 63 -0.756 6.184 2.872 1.00 50.44 H new ATOM 0 HA ASN A 63 -3.427 5.498 2.729 1.00 71.10 H new ATOM 0 HB2 ASN A 63 -1.721 5.603 4.714 1.00 4.03 H new ATOM 0 HB3 ASN A 63 -2.283 7.251 4.918 1.00 4.03 H new ATOM 0 HD21 ASN A 63 -4.300 4.921 7.096 1.00 22.25 H new ATOM 0 HD22 ASN A 63 -2.578 5.258 6.891 1.00 22.25 H new ATOM 1025 N LEU A 64 -2.979 8.774 2.851 1.00 34.10 N ATOM 1026 CA LEU A 64 -3.626 10.054 2.586 1.00 12.53 C ATOM 1027 C LEU A 64 -4.055 10.156 1.125 1.00 3.41 C ATOM 1028 O LEU A 64 -4.893 10.985 0.770 1.00 65.41 O ATOM 1029 CB LEU A 64 -2.681 11.207 2.934 1.00 73.14 C ATOM 1030 CG LEU A 64 -2.716 11.689 4.383 1.00 31.14 C ATOM 1031 CD1 LEU A 64 -2.089 10.656 5.305 1.00 23.40 C ATOM 1032 CD2 LEU A 64 -2.006 13.028 4.517 1.00 3.15 C ATOM 0 H LEU A 64 -2.000 8.846 3.129 1.00 34.10 H new ATOM 0 HA LEU A 64 -4.516 10.120 3.212 1.00 12.53 H new ATOM 0 HB2 LEU A 64 -1.662 10.899 2.699 1.00 73.14 H new ATOM 0 HB3 LEU A 64 -2.916 12.051 2.286 1.00 73.14 H new ATOM 0 HG LEU A 64 -3.757 11.822 4.676 1.00 31.14 H new ATOM 0 HD11 LEU A 64 -2.123 11.017 6.333 1.00 23.40 H new ATOM 0 HD12 LEU A 64 -2.641 9.719 5.231 1.00 23.40 H new ATOM 0 HD13 LEU A 64 -1.052 10.490 5.013 1.00 23.40 H new ATOM 0 HD21 LEU A 64 -2.041 13.356 5.556 1.00 3.15 H new ATOM 0 HD22 LEU A 64 -0.967 12.922 4.205 1.00 3.15 H new ATOM 0 HD23 LEU A 64 -2.501 13.767 3.887 1.00 3.15 H new ATOM 1044 N ASP A 65 -3.474 9.307 0.285 1.00 54.14 N ATOM 1045 CA ASP A 65 -3.798 9.299 -1.137 1.00 61.25 C ATOM 1046 C ASP A 65 -5.015 8.421 -1.412 1.00 73.32 C ATOM 1047 O ASP A 65 -5.992 8.868 -2.013 1.00 15.32 O ATOM 1048 CB ASP A 65 -2.602 8.804 -1.952 1.00 30.41 C ATOM 1049 CG ASP A 65 -2.730 9.131 -3.427 1.00 24.33 C ATOM 1050 OD1 ASP A 65 -3.867 9.114 -3.941 1.00 61.35 O ATOM 1051 OD2 ASP A 65 -1.692 9.403 -4.067 1.00 2.35 O ATOM 0 H ASP A 65 -2.777 8.616 0.563 1.00 54.14 H new ATOM 0 HA ASP A 65 -4.034 10.320 -1.436 1.00 61.25 H new ATOM 0 HB2 ASP A 65 -1.689 9.253 -1.561 1.00 30.41 H new ATOM 0 HB3 ASP A 65 -2.504 7.725 -1.829 1.00 30.41 H new ATOM 1056 N ILE A 66 -4.948 7.170 -0.971 1.00 64.41 N ATOM 1057 CA ILE A 66 -6.044 6.230 -1.169 1.00 4.33 C ATOM 1058 C ILE A 66 -7.299 6.687 -0.434 1.00 1.02 C ATOM 1059 O ILE A 66 -8.405 6.613 -0.969 1.00 32.02 O ATOM 1060 CB ILE A 66 -5.667 4.816 -0.688 1.00 53.32 C ATOM 1061 CG1 ILE A 66 -4.342 4.377 -1.315 1.00 41.42 C ATOM 1062 CG2 ILE A 66 -6.773 3.829 -1.029 1.00 71.33 C ATOM 1063 CD1 ILE A 66 -3.890 3.004 -0.872 1.00 61.43 C ATOM 0 H ILE A 66 -4.146 6.783 -0.474 1.00 64.41 H new ATOM 0 HA ILE A 66 -6.244 6.199 -2.240 1.00 4.33 H new ATOM 0 HB ILE A 66 -5.546 4.836 0.395 1.00 53.32 H new ATOM 0 HG12 ILE A 66 -4.443 4.385 -2.400 1.00 41.42 H new ATOM 0 HG13 ILE A 66 -3.571 5.104 -1.061 1.00 41.42 H new ATOM 0 HG21 ILE A 66 -6.492 2.834 -0.683 1.00 71.33 H new ATOM 0 HG22 ILE A 66 -7.698 4.136 -0.540 1.00 71.33 H new ATOM 0 HG23 ILE A 66 -6.923 3.809 -2.108 1.00 71.33 H new ATOM 0 HD11 ILE A 66 -2.945 2.759 -1.356 1.00 61.43 H new ATOM 0 HD12 ILE A 66 -3.757 2.996 0.210 1.00 61.43 H new ATOM 0 HD13 ILE A 66 -4.642 2.266 -1.150 1.00 61.43 H new ATOM 1075 N SER A 67 -7.120 7.160 0.795 1.00 0.44 N ATOM 1076 CA SER A 67 -8.239 7.629 1.605 1.00 62.44 C ATOM 1077 C SER A 67 -9.107 8.606 0.819 1.00 4.15 C ATOM 1078 O SER A 67 -10.335 8.547 0.875 1.00 74.54 O ATOM 1079 CB SER A 67 -7.727 8.296 2.883 1.00 62.14 C ATOM 1080 OG SER A 67 -8.694 9.183 3.416 1.00 2.05 O ATOM 0 H SER A 67 -6.211 7.229 1.252 1.00 0.44 H new ATOM 0 HA SER A 67 -8.848 6.766 1.874 1.00 62.44 H new ATOM 0 HB2 SER A 67 -7.482 7.533 3.622 1.00 62.14 H new ATOM 0 HB3 SER A 67 -6.807 8.841 2.670 1.00 62.14 H new ATOM 0 HG SER A 67 -8.344 9.596 4.233 1.00 2.05 H new ATOM 1086 N LYS A 68 -8.460 9.505 0.086 1.00 3.33 N ATOM 1087 CA LYS A 68 -9.170 10.497 -0.713 1.00 31.20 C ATOM 1088 C LYS A 68 -9.825 9.848 -1.928 1.00 23.35 C ATOM 1089 O LYS A 68 -10.891 10.273 -2.371 1.00 74.12 O ATOM 1090 CB LYS A 68 -8.210 11.600 -1.167 1.00 24.45 C ATOM 1091 CG LYS A 68 -7.780 11.473 -2.617 1.00 71.15 C ATOM 1092 CD LYS A 68 -6.677 12.461 -2.960 1.00 71.50 C ATOM 1093 CE LYS A 68 -7.247 13.785 -3.443 1.00 2.42 C ATOM 1094 NZ LYS A 68 -7.709 14.636 -2.312 1.00 33.41 N ATOM 0 H LYS A 68 -7.444 9.567 0.028 1.00 3.33 H new ATOM 0 HA LYS A 68 -9.950 10.936 -0.091 1.00 31.20 H new ATOM 0 HB2 LYS A 68 -8.688 12.569 -1.022 1.00 24.45 H new ATOM 0 HB3 LYS A 68 -7.325 11.584 -0.531 1.00 24.45 H new ATOM 0 HG2 LYS A 68 -7.432 10.458 -2.807 1.00 71.15 H new ATOM 0 HG3 LYS A 68 -8.638 11.643 -3.268 1.00 71.15 H new ATOM 0 HD2 LYS A 68 -6.053 12.631 -2.083 1.00 71.50 H new ATOM 0 HD3 LYS A 68 -6.034 12.037 -3.731 1.00 71.50 H new ATOM 0 HE2 LYS A 68 -6.488 14.320 -4.014 1.00 2.42 H new ATOM 0 HE3 LYS A 68 -8.081 13.596 -4.119 1.00 2.42 H new ATOM 0 HZ1 LYS A 68 -7.593 15.639 -2.562 1.00 33.41 H new ATOM 0 HZ2 LYS A 68 -8.712 14.441 -2.118 1.00 33.41 H new ATOM 0 HZ3 LYS A 68 -7.145 14.423 -1.464 1.00 33.41 H new ATOM 1108 N ALA A 69 -9.181 8.814 -2.461 1.00 34.24 N ATOM 1109 CA ALA A 69 -9.703 8.105 -3.621 1.00 71.33 C ATOM 1110 C ALA A 69 -10.981 7.348 -3.273 1.00 51.30 C ATOM 1111 O ALA A 69 -11.711 6.903 -4.160 1.00 12.45 O ATOM 1112 CB ALA A 69 -8.656 7.149 -4.172 1.00 2.42 C ATOM 0 H ALA A 69 -8.297 8.450 -2.107 1.00 34.24 H new ATOM 0 HA ALA A 69 -9.945 8.842 -4.387 1.00 71.33 H new ATOM 0 HB1 ALA A 69 -9.061 6.626 -5.039 1.00 2.42 H new ATOM 0 HB2 ALA A 69 -7.770 7.711 -4.468 1.00 2.42 H new ATOM 0 HB3 ALA A 69 -8.386 6.424 -3.405 1.00 2.42 H new ATOM 1118 N ILE A 70 -11.244 7.206 -1.979 1.00 33.30 N ATOM 1119 CA ILE A 70 -12.434 6.503 -1.515 1.00 33.02 C ATOM 1120 C ILE A 70 -13.705 7.215 -1.968 1.00 0.41 C ATOM 1121 O ILE A 70 -14.431 6.722 -2.831 1.00 12.21 O ATOM 1122 CB ILE A 70 -12.450 6.376 0.020 1.00 15.11 C ATOM 1123 CG1 ILE A 70 -11.155 5.729 0.513 1.00 33.24 C ATOM 1124 CG2 ILE A 70 -13.658 5.568 0.472 1.00 54.32 C ATOM 1125 CD1 ILE A 70 -11.107 5.540 2.013 1.00 72.40 C ATOM 0 H ILE A 70 -10.650 7.568 -1.233 1.00 33.30 H new ATOM 0 HA ILE A 70 -12.403 5.506 -1.954 1.00 33.02 H new ATOM 0 HB ILE A 70 -12.523 7.374 0.452 1.00 15.11 H new ATOM 0 HG12 ILE A 70 -11.035 4.760 0.029 1.00 33.24 H new ATOM 0 HG13 ILE A 70 -10.310 6.345 0.205 1.00 33.24 H new ATOM 0 HG21 ILE A 70 -13.655 5.487 1.559 1.00 54.32 H new ATOM 0 HG22 ILE A 70 -14.571 6.067 0.147 1.00 54.32 H new ATOM 0 HG23 ILE A 70 -13.614 4.571 0.034 1.00 54.32 H new ATOM 0 HD11 ILE A 70 -10.161 5.076 2.291 1.00 72.40 H new ATOM 0 HD12 ILE A 70 -11.195 6.509 2.505 1.00 72.40 H new ATOM 0 HD13 ILE A 70 -11.931 4.899 2.325 1.00 72.40 H new ATOM 1137 N ARG A 71 -13.966 8.379 -1.382 1.00 30.33 N ATOM 1138 CA ARG A 71 -15.149 9.159 -1.725 1.00 5.04 C ATOM 1139 C ARG A 71 -15.167 9.491 -3.215 1.00 4.14 C ATOM 1140 O ARG A 71 -16.227 9.540 -3.836 1.00 61.33 O ATOM 1141 CB ARG A 71 -15.191 10.450 -0.904 1.00 63.52 C ATOM 1142 CG ARG A 71 -13.965 11.330 -1.090 1.00 63.43 C ATOM 1143 CD ARG A 71 -13.718 12.205 0.129 1.00 34.25 C ATOM 1144 NE ARG A 71 -14.439 13.472 0.048 1.00 12.40 N ATOM 1145 CZ ARG A 71 -14.065 14.481 -0.731 1.00 43.32 C ATOM 1146 NH1 ARG A 71 -12.984 14.371 -1.492 1.00 32.33 N ATOM 1147 NH2 ARG A 71 -14.773 15.604 -0.750 1.00 51.24 N ATOM 0 H ARG A 71 -13.374 8.803 -0.667 1.00 30.33 H new ATOM 0 HA ARG A 71 -16.029 8.560 -1.492 1.00 5.04 H new ATOM 0 HB2 ARG A 71 -16.080 11.017 -1.180 1.00 63.52 H new ATOM 0 HB3 ARG A 71 -15.289 10.196 0.152 1.00 63.52 H new ATOM 0 HG2 ARG A 71 -13.091 10.705 -1.274 1.00 63.43 H new ATOM 0 HG3 ARG A 71 -14.097 11.959 -1.970 1.00 63.43 H new ATOM 0 HD2 ARG A 71 -14.025 11.670 1.028 1.00 34.25 H new ATOM 0 HD3 ARG A 71 -12.650 12.401 0.224 1.00 34.25 H new ATOM 0 HE ARG A 71 -15.275 13.589 0.620 1.00 12.40 H new ATOM 0 HH11 ARG A 71 -12.437 13.510 -1.480 1.00 32.33 H new ATOM 0 HH12 ARG A 71 -12.699 15.148 -2.089 1.00 32.33 H new ATOM 0 HH21 ARG A 71 -15.605 15.692 -0.166 1.00 51.24 H new ATOM 0 HH22 ARG A 71 -14.485 16.378 -1.348 1.00 51.24 H new ATOM 1161 N ASN A 72 -13.985 9.718 -3.779 1.00 33.10 N ATOM 1162 CA ASN A 72 -13.866 10.046 -5.195 1.00 11.31 C ATOM 1163 C ASN A 72 -14.543 8.986 -6.059 1.00 63.50 C ATOM 1164 O ASN A 72 -15.500 9.273 -6.777 1.00 5.15 O ATOM 1165 CB ASN A 72 -12.393 10.176 -5.588 1.00 72.02 C ATOM 1166 CG ASN A 72 -11.892 11.603 -5.488 1.00 2.42 C ATOM 1167 OD1 ASN A 72 -11.536 12.220 -6.493 1.00 14.42 O ATOM 1168 ND2 ASN A 72 -11.861 12.136 -4.272 1.00 2.33 N ATOM 0 H ASN A 72 -13.097 9.681 -3.278 1.00 33.10 H new ATOM 0 HA ASN A 72 -14.366 11.000 -5.364 1.00 11.31 H new ATOM 0 HB2 ASN A 72 -11.790 9.536 -4.944 1.00 72.02 H new ATOM 0 HB3 ASN A 72 -12.259 9.817 -6.609 1.00 72.02 H new ATOM 0 HD21 ASN A 72 -11.533 13.093 -4.143 1.00 2.33 H new ATOM 0 HD22 ASN A 72 -12.165 11.588 -3.467 1.00 2.33 H new ATOM 1175 N ASP A 73 -14.038 7.758 -5.982 1.00 14.45 N ATOM 1176 CA ASP A 73 -14.593 6.654 -6.755 1.00 33.52 C ATOM 1177 C ASP A 73 -15.720 5.967 -5.989 1.00 23.15 C ATOM 1178 O ASP A 73 -16.192 4.901 -6.381 1.00 4.11 O ATOM 1179 CB ASP A 73 -13.500 5.641 -7.095 1.00 51.24 C ATOM 1180 CG ASP A 73 -13.809 4.858 -8.357 1.00 25.32 C ATOM 1181 OD1 ASP A 73 -14.492 5.408 -9.245 1.00 4.34 O ATOM 1182 OD2 ASP A 73 -13.366 3.695 -8.454 1.00 72.54 O ATOM 0 H ASP A 73 -13.246 7.504 -5.392 1.00 14.45 H new ATOM 0 HA ASP A 73 -15.001 7.060 -7.680 1.00 33.52 H new ATOM 0 HB2 ASP A 73 -12.551 6.162 -7.218 1.00 51.24 H new ATOM 0 HB3 ASP A 73 -13.378 4.949 -6.262 1.00 51.24 H new ATOM 1187 N GLY A 74 -16.145 6.587 -4.891 1.00 71.42 N ATOM 1188 CA GLY A 74 -17.211 6.020 -4.086 1.00 74.32 C ATOM 1189 C GLY A 74 -16.972 4.561 -3.750 1.00 24.21 C ATOM 1190 O GLY A 74 -17.917 3.787 -3.601 1.00 61.13 O ATOM 0 H GLY A 74 -15.770 7.471 -4.546 1.00 71.42 H new ATOM 0 HA2 GLY A 74 -17.308 6.591 -3.163 1.00 74.32 H new ATOM 0 HA3 GLY A 74 -18.156 6.116 -4.621 1.00 74.32 H new ATOM 1194 N VAL A 75 -15.702 4.184 -3.630 1.00 75.32 N ATOM 1195 CA VAL A 75 -15.341 2.808 -3.311 1.00 11.14 C ATOM 1196 C VAL A 75 -15.408 2.558 -1.808 1.00 21.14 C ATOM 1197 O VAL A 75 -15.355 3.492 -1.008 1.00 44.41 O ATOM 1198 CB VAL A 75 -13.925 2.469 -3.814 1.00 4.04 C ATOM 1199 CG1 VAL A 75 -12.875 3.172 -2.966 1.00 42.34 C ATOM 1200 CG2 VAL A 75 -13.705 0.964 -3.809 1.00 63.52 C ATOM 0 H VAL A 75 -14.907 4.812 -3.749 1.00 75.32 H new ATOM 0 HA VAL A 75 -16.062 2.165 -3.816 1.00 11.14 H new ATOM 0 HB VAL A 75 -13.827 2.825 -4.840 1.00 4.04 H new ATOM 0 HG11 VAL A 75 -11.881 2.921 -3.336 1.00 42.34 H new ATOM 0 HG12 VAL A 75 -13.022 4.250 -3.025 1.00 42.34 H new ATOM 0 HG13 VAL A 75 -12.969 2.849 -1.929 1.00 42.34 H new ATOM 0 HG21 VAL A 75 -12.700 0.742 -4.167 1.00 63.52 H new ATOM 0 HG22 VAL A 75 -13.821 0.583 -2.795 1.00 63.52 H new ATOM 0 HG23 VAL A 75 -14.436 0.487 -4.462 1.00 63.52 H new ATOM 1210 N THR A 76 -15.527 1.289 -1.430 1.00 62.13 N ATOM 1211 CA THR A 76 -15.602 0.914 -0.023 1.00 75.14 C ATOM 1212 C THR A 76 -14.707 -0.283 0.276 1.00 42.31 C ATOM 1213 O THR A 76 -14.819 -1.330 -0.363 1.00 73.22 O ATOM 1214 CB THR A 76 -17.046 0.577 0.392 1.00 75.35 C ATOM 1215 OG1 THR A 76 -17.958 1.505 -0.208 1.00 71.44 O ATOM 1216 CG2 THR A 76 -17.198 0.615 1.905 1.00 75.35 C ATOM 0 H THR A 76 -15.574 0.503 -2.079 1.00 62.13 H new ATOM 0 HA THR A 76 -15.258 1.774 0.552 1.00 75.14 H new ATOM 0 HB THR A 76 -17.274 -0.431 0.046 1.00 75.35 H new ATOM 0 HG1 THR A 76 -18.874 1.283 0.060 1.00 71.44 H new ATOM 0 HG21 THR A 76 -18.226 0.374 2.174 1.00 75.35 H new ATOM 0 HG22 THR A 76 -16.525 -0.113 2.357 1.00 75.35 H new ATOM 0 HG23 THR A 76 -16.952 1.612 2.270 1.00 75.35 H new ATOM 1224 N LEU A 77 -13.819 -0.122 1.250 1.00 64.10 N ATOM 1225 CA LEU A 77 -12.903 -1.190 1.635 1.00 31.40 C ATOM 1226 C LEU A 77 -13.631 -2.272 2.426 1.00 65.40 C ATOM 1227 O LEU A 77 -14.391 -1.976 3.349 1.00 72.14 O ATOM 1228 CB LEU A 77 -11.748 -0.626 2.464 1.00 30.40 C ATOM 1229 CG LEU A 77 -11.062 0.619 1.900 1.00 70.30 C ATOM 1230 CD1 LEU A 77 -11.273 1.808 2.823 1.00 42.51 C ATOM 1231 CD2 LEU A 77 -9.578 0.360 1.689 1.00 12.31 C ATOM 0 H LEU A 77 -13.713 0.738 1.788 1.00 64.10 H new ATOM 0 HA LEU A 77 -12.503 -1.637 0.725 1.00 31.40 H new ATOM 0 HB2 LEU A 77 -12.123 -0.390 3.460 1.00 30.40 H new ATOM 0 HB3 LEU A 77 -10.997 -1.407 2.583 1.00 30.40 H new ATOM 0 HG LEU A 77 -11.510 0.852 0.934 1.00 70.30 H new ATOM 0 HD11 LEU A 77 -10.778 2.685 2.406 1.00 42.51 H new ATOM 0 HD12 LEU A 77 -12.340 2.007 2.922 1.00 42.51 H new ATOM 0 HD13 LEU A 77 -10.852 1.586 3.804 1.00 42.51 H new ATOM 0 HD21 LEU A 77 -9.106 1.256 1.287 1.00 12.31 H new ATOM 0 HD22 LEU A 77 -9.115 0.101 2.641 1.00 12.31 H new ATOM 0 HD23 LEU A 77 -9.449 -0.464 0.987 1.00 12.31 H new ATOM 1243 N SER A 78 -13.391 -3.528 2.062 1.00 73.21 N ATOM 1244 CA SER A 78 -14.026 -4.654 2.737 1.00 65.33 C ATOM 1245 C SER A 78 -13.388 -4.900 4.100 1.00 2.42 C ATOM 1246 O SER A 78 -12.458 -4.197 4.499 1.00 72.31 O ATOM 1247 CB SER A 78 -13.921 -5.916 1.877 1.00 12.23 C ATOM 1248 OG SER A 78 -15.029 -6.030 1.001 1.00 1.14 O ATOM 0 H SER A 78 -12.762 -3.791 1.304 1.00 73.21 H new ATOM 0 HA SER A 78 -15.078 -4.410 2.886 1.00 65.33 H new ATOM 0 HB2 SER A 78 -12.997 -5.890 1.299 1.00 12.23 H new ATOM 0 HB3 SER A 78 -13.870 -6.795 2.520 1.00 12.23 H new ATOM 0 HG SER A 78 -14.937 -6.843 0.462 1.00 1.14 H new ATOM 1254 N ASP A 79 -13.894 -5.901 4.812 1.00 63.21 N ATOM 1255 CA ASP A 79 -13.374 -6.242 6.131 1.00 1.43 C ATOM 1256 C ASP A 79 -11.858 -6.416 6.089 1.00 14.00 C ATOM 1257 O ASP A 79 -11.117 -5.646 6.701 1.00 15.14 O ATOM 1258 CB ASP A 79 -14.032 -7.521 6.648 1.00 33.11 C ATOM 1259 CG ASP A 79 -14.011 -7.612 8.161 1.00 62.31 C ATOM 1260 OD1 ASP A 79 -13.611 -6.622 8.810 1.00 62.44 O ATOM 1261 OD2 ASP A 79 -14.394 -8.673 8.697 1.00 75.35 O ATOM 0 H ASP A 79 -14.664 -6.491 4.497 1.00 63.21 H new ATOM 0 HA ASP A 79 -13.610 -5.422 6.810 1.00 1.43 H new ATOM 0 HB2 ASP A 79 -15.064 -7.562 6.299 1.00 33.11 H new ATOM 0 HB3 ASP A 79 -13.519 -8.386 6.228 1.00 33.11 H new ATOM 1266 N TYR A 80 -11.405 -7.433 5.365 1.00 32.35 N ATOM 1267 CA TYR A 80 -9.978 -7.711 5.247 1.00 34.11 C ATOM 1268 C TYR A 80 -9.214 -6.461 4.822 1.00 1.21 C ATOM 1269 O TYR A 80 -8.115 -6.199 5.310 1.00 44.41 O ATOM 1270 CB TYR A 80 -9.740 -8.836 4.238 1.00 64.23 C ATOM 1271 CG TYR A 80 -10.234 -8.516 2.845 1.00 25.12 C ATOM 1272 CD1 TYR A 80 -11.570 -8.695 2.504 1.00 45.24 C ATOM 1273 CD2 TYR A 80 -9.367 -8.037 1.872 1.00 72.21 C ATOM 1274 CE1 TYR A 80 -12.026 -8.405 1.233 1.00 45.34 C ATOM 1275 CE2 TYR A 80 -9.815 -7.743 0.598 1.00 12.23 C ATOM 1276 CZ TYR A 80 -11.145 -7.929 0.284 1.00 53.45 C ATOM 1277 OH TYR A 80 -11.595 -7.639 -0.984 1.00 31.14 O ATOM 0 H TYR A 80 -12.005 -8.079 4.851 1.00 32.35 H new ATOM 0 HA TYR A 80 -9.611 -8.024 6.224 1.00 34.11 H new ATOM 0 HB2 TYR A 80 -8.673 -9.054 4.195 1.00 64.23 H new ATOM 0 HB3 TYR A 80 -10.236 -9.740 4.591 1.00 64.23 H new ATOM 0 HD1 TYR A 80 -12.262 -9.067 3.245 1.00 45.24 H new ATOM 0 HD2 TYR A 80 -8.325 -7.892 2.115 1.00 72.21 H new ATOM 0 HE1 TYR A 80 -13.067 -8.550 0.983 1.00 45.34 H new ATOM 0 HE2 TYR A 80 -9.128 -7.370 -0.147 1.00 12.23 H new ATOM 0 HH TYR A 80 -10.849 -7.313 -1.529 1.00 31.14 H new ATOM 1287 N GLN A 81 -9.804 -5.695 3.911 1.00 44.42 N ATOM 1288 CA GLN A 81 -9.178 -4.472 3.421 1.00 61.10 C ATOM 1289 C GLN A 81 -8.925 -3.494 4.563 1.00 24.24 C ATOM 1290 O GLN A 81 -7.778 -3.211 4.908 1.00 1.30 O ATOM 1291 CB GLN A 81 -10.059 -3.815 2.357 1.00 41.31 C ATOM 1292 CG GLN A 81 -10.125 -4.597 1.055 1.00 15.01 C ATOM 1293 CD GLN A 81 -10.156 -3.697 -0.166 1.00 12.25 C ATOM 1294 OE1 GLN A 81 -10.460 -2.508 -0.066 1.00 44.53 O ATOM 1295 NE2 GLN A 81 -9.841 -4.262 -1.325 1.00 11.50 N ATOM 0 H GLN A 81 -10.714 -5.899 3.497 1.00 44.42 H new ATOM 0 HA GLN A 81 -8.219 -4.738 2.976 1.00 61.10 H new ATOM 0 HB2 GLN A 81 -11.068 -3.699 2.753 1.00 41.31 H new ATOM 0 HB3 GLN A 81 -9.680 -2.814 2.151 1.00 41.31 H new ATOM 0 HG2 GLN A 81 -9.263 -5.261 0.990 1.00 15.01 H new ATOM 0 HG3 GLN A 81 -11.014 -5.228 1.059 1.00 15.01 H new ATOM 0 HE21 GLN A 81 -9.595 -5.251 -1.360 1.00 11.50 H new ATOM 0 HE22 GLN A 81 -9.844 -3.707 -2.181 1.00 11.50 H new ATOM 1304 N SER A 82 -10.004 -2.982 5.147 1.00 11.22 N ATOM 1305 CA SER A 82 -9.899 -2.032 6.248 1.00 42.52 C ATOM 1306 C SER A 82 -8.962 -2.558 7.332 1.00 74.13 C ATOM 1307 O SER A 82 -8.240 -1.793 7.971 1.00 42.44 O ATOM 1308 CB SER A 82 -11.280 -1.752 6.843 1.00 61.42 C ATOM 1309 OG SER A 82 -11.299 -0.512 7.528 1.00 54.41 O ATOM 0 H SER A 82 -10.961 -3.209 4.876 1.00 11.22 H new ATOM 0 HA SER A 82 -9.486 -1.103 5.855 1.00 42.52 H new ATOM 0 HB2 SER A 82 -12.027 -1.744 6.049 1.00 61.42 H new ATOM 0 HB3 SER A 82 -11.553 -2.554 7.529 1.00 61.42 H new ATOM 0 HG SER A 82 -12.193 -0.356 7.898 1.00 54.41 H new ATOM 1315 N LYS A 83 -8.982 -3.871 7.535 1.00 60.34 N ATOM 1316 CA LYS A 83 -8.135 -4.504 8.540 1.00 52.31 C ATOM 1317 C LYS A 83 -6.662 -4.369 8.172 1.00 43.35 C ATOM 1318 O LYS A 83 -5.850 -3.902 8.972 1.00 31.13 O ATOM 1319 CB LYS A 83 -8.502 -5.982 8.688 1.00 35.15 C ATOM 1320 CG LYS A 83 -9.732 -6.219 9.547 1.00 20.24 C ATOM 1321 CD LYS A 83 -10.390 -7.550 9.224 1.00 32.43 C ATOM 1322 CE LYS A 83 -9.734 -8.695 9.981 1.00 14.00 C ATOM 1323 NZ LYS A 83 -8.391 -9.026 9.431 1.00 71.51 N ATOM 0 H LYS A 83 -9.576 -4.518 7.017 1.00 60.34 H new ATOM 0 HA LYS A 83 -8.301 -3.998 9.491 1.00 52.31 H new ATOM 0 HB2 LYS A 83 -8.673 -6.406 7.699 1.00 35.15 H new ATOM 0 HB3 LYS A 83 -7.657 -6.516 9.123 1.00 35.15 H new ATOM 0 HG2 LYS A 83 -9.451 -6.197 10.600 1.00 20.24 H new ATOM 0 HG3 LYS A 83 -10.447 -5.411 9.391 1.00 20.24 H new ATOM 0 HD2 LYS A 83 -11.449 -7.504 9.478 1.00 32.43 H new ATOM 0 HD3 LYS A 83 -10.327 -7.738 8.152 1.00 32.43 H new ATOM 0 HE2 LYS A 83 -9.640 -8.428 11.033 1.00 14.00 H new ATOM 0 HE3 LYS A 83 -10.374 -9.576 9.932 1.00 14.00 H new ATOM 0 HZ1 LYS A 83 -8.224 -10.049 9.514 1.00 71.51 H new ATOM 0 HZ2 LYS A 83 -8.348 -8.749 8.430 1.00 71.51 H new ATOM 0 HZ3 LYS A 83 -7.661 -8.512 9.964 1.00 71.51 H new ATOM 1337 N LYS A 84 -6.320 -4.781 6.956 1.00 52.13 N ATOM 1338 CA LYS A 84 -4.944 -4.704 6.479 1.00 45.34 C ATOM 1339 C LYS A 84 -4.446 -3.262 6.483 1.00 3.20 C ATOM 1340 O LYS A 84 -3.240 -3.011 6.464 1.00 21.20 O ATOM 1341 CB LYS A 84 -4.837 -5.288 5.068 1.00 35.21 C ATOM 1342 CG LYS A 84 -5.016 -4.256 3.968 1.00 4.23 C ATOM 1343 CD LYS A 84 -3.678 -3.723 3.481 1.00 53.22 C ATOM 1344 CE LYS A 84 -3.829 -2.365 2.813 1.00 1.32 C ATOM 1345 NZ LYS A 84 -2.991 -2.253 1.587 1.00 21.11 N ATOM 0 H LYS A 84 -6.978 -5.172 6.282 1.00 52.13 H new ATOM 0 HA LYS A 84 -4.319 -5.287 7.155 1.00 45.34 H new ATOM 0 HB2 LYS A 84 -3.863 -5.764 4.954 1.00 35.21 H new ATOM 0 HB3 LYS A 84 -5.589 -6.068 4.949 1.00 35.21 H new ATOM 0 HG2 LYS A 84 -5.557 -4.702 3.133 1.00 4.23 H new ATOM 0 HG3 LYS A 84 -5.625 -3.431 4.337 1.00 4.23 H new ATOM 0 HD2 LYS A 84 -2.990 -3.641 4.322 1.00 53.22 H new ATOM 0 HD3 LYS A 84 -3.238 -4.429 2.777 1.00 53.22 H new ATOM 0 HE2 LYS A 84 -4.875 -2.202 2.554 1.00 1.32 H new ATOM 0 HE3 LYS A 84 -3.549 -1.581 3.517 1.00 1.32 H new ATOM 0 HZ1 LYS A 84 -3.346 -1.476 0.994 1.00 21.11 H new ATOM 0 HZ2 LYS A 84 -2.005 -2.060 1.857 1.00 21.11 H new ATOM 0 HZ3 LYS A 84 -3.036 -3.144 1.053 1.00 21.11 H new ATOM 1359 N LEU A 85 -5.380 -2.319 6.510 1.00 31.34 N ATOM 1360 CA LEU A 85 -5.036 -0.902 6.519 1.00 13.42 C ATOM 1361 C LEU A 85 -4.332 -0.519 7.817 1.00 44.02 C ATOM 1362 O LEU A 85 -3.451 0.340 7.828 1.00 4.34 O ATOM 1363 CB LEU A 85 -6.294 -0.050 6.339 1.00 31.33 C ATOM 1364 CG LEU A 85 -6.084 1.341 5.738 1.00 61.10 C ATOM 1365 CD1 LEU A 85 -7.332 1.797 4.998 1.00 64.14 C ATOM 1366 CD2 LEU A 85 -5.710 2.340 6.823 1.00 23.34 C ATOM 0 H LEU A 85 -6.382 -2.510 6.526 1.00 31.34 H new ATOM 0 HA LEU A 85 -4.355 -0.715 5.689 1.00 13.42 H new ATOM 0 HB2 LEU A 85 -6.991 -0.597 5.704 1.00 31.33 H new ATOM 0 HB3 LEU A 85 -6.773 0.065 7.312 1.00 31.33 H new ATOM 0 HG LEU A 85 -5.263 1.287 5.024 1.00 61.10 H new ATOM 0 HD11 LEU A 85 -7.164 2.788 4.577 1.00 64.14 H new ATOM 0 HD12 LEU A 85 -7.555 1.095 4.195 1.00 64.14 H new ATOM 0 HD13 LEU A 85 -8.172 1.835 5.691 1.00 64.14 H new ATOM 0 HD21 LEU A 85 -5.564 3.324 6.377 1.00 23.34 H new ATOM 0 HD22 LEU A 85 -6.510 2.391 7.562 1.00 23.34 H new ATOM 0 HD23 LEU A 85 -4.787 2.022 7.308 1.00 23.34 H new ATOM 1378 N LYS A 86 -4.723 -1.167 8.909 1.00 53.30 N ATOM 1379 CA LYS A 86 -4.128 -0.899 10.212 1.00 22.22 C ATOM 1380 C LYS A 86 -2.704 -1.442 10.283 1.00 71.05 C ATOM 1381 O LYS A 86 -1.978 -1.184 11.241 1.00 22.44 O ATOM 1382 CB LYS A 86 -4.978 -1.521 11.322 1.00 30.43 C ATOM 1383 CG LYS A 86 -4.580 -2.947 11.665 1.00 31.25 C ATOM 1384 CD LYS A 86 -5.617 -3.616 12.552 1.00 22.22 C ATOM 1385 CE LYS A 86 -6.784 -4.155 11.739 1.00 43.42 C ATOM 1386 NZ LYS A 86 -6.495 -5.505 11.182 1.00 31.33 N ATOM 0 H LYS A 86 -5.450 -1.882 8.917 1.00 53.30 H new ATOM 0 HA LYS A 86 -4.093 0.181 10.352 1.00 22.22 H new ATOM 0 HB2 LYS A 86 -4.899 -0.905 12.218 1.00 30.43 H new ATOM 0 HB3 LYS A 86 -6.025 -1.508 11.018 1.00 30.43 H new ATOM 0 HG2 LYS A 86 -4.458 -3.523 10.747 1.00 31.25 H new ATOM 0 HG3 LYS A 86 -3.614 -2.945 12.170 1.00 31.25 H new ATOM 0 HD2 LYS A 86 -5.151 -4.431 13.106 1.00 22.22 H new ATOM 0 HD3 LYS A 86 -5.985 -2.900 13.287 1.00 22.22 H new ATOM 0 HE2 LYS A 86 -7.673 -4.204 12.368 1.00 43.42 H new ATOM 0 HE3 LYS A 86 -7.008 -3.466 10.924 1.00 43.42 H new ATOM 0 HZ1 LYS A 86 -7.388 -6.017 11.031 1.00 31.33 H new ATOM 0 HZ2 LYS A 86 -5.995 -5.407 10.276 1.00 31.33 H new ATOM 0 HZ3 LYS A 86 -5.900 -6.036 11.850 1.00 31.33 H new ATOM 1400 N GLU A 87 -2.313 -2.196 9.259 1.00 2.31 N ATOM 1401 CA GLU A 87 -0.975 -2.774 9.206 1.00 41.03 C ATOM 1402 C GLU A 87 0.092 -1.684 9.237 1.00 34.35 C ATOM 1403 O GLU A 87 0.706 -1.429 10.274 1.00 64.22 O ATOM 1404 CB GLU A 87 -0.814 -3.625 7.944 1.00 0.21 C ATOM 1405 CG GLU A 87 -1.659 -4.887 7.949 1.00 64.44 C ATOM 1406 CD GLU A 87 -1.133 -5.938 8.909 1.00 40.14 C ATOM 1407 OE1 GLU A 87 -0.019 -6.451 8.675 1.00 42.21 O ATOM 1408 OE2 GLU A 87 -1.836 -6.246 9.894 1.00 62.43 O ATOM 0 H GLU A 87 -2.902 -2.420 8.457 1.00 2.31 H new ATOM 0 HA GLU A 87 -0.846 -3.408 10.083 1.00 41.03 H new ATOM 0 HB2 GLU A 87 -1.079 -3.024 7.074 1.00 0.21 H new ATOM 0 HB3 GLU A 87 0.235 -3.901 7.833 1.00 0.21 H new ATOM 0 HG2 GLU A 87 -2.684 -4.633 8.220 1.00 64.44 H new ATOM 0 HG3 GLU A 87 -1.690 -5.303 6.942 1.00 64.44 H new ATOM 1415 N LEU A 88 0.307 -1.042 8.094 1.00 70.42 N ATOM 1416 CA LEU A 88 1.299 0.021 7.988 1.00 12.04 C ATOM 1417 C LEU A 88 0.918 1.211 8.863 1.00 15.23 C ATOM 1418 O LEU A 88 1.704 2.142 9.043 1.00 71.43 O ATOM 1419 CB LEU A 88 1.443 0.470 6.533 1.00 50.21 C ATOM 1420 CG LEU A 88 0.144 0.589 5.736 1.00 75.44 C ATOM 1421 CD1 LEU A 88 -0.256 -0.762 5.163 1.00 61.52 C ATOM 1422 CD2 LEU A 88 -0.970 1.149 6.610 1.00 42.34 C ATOM 0 H LEU A 88 -0.193 -1.240 7.227 1.00 70.42 H new ATOM 0 HA LEU A 88 2.254 -0.372 8.336 1.00 12.04 H new ATOM 0 HB2 LEU A 88 1.944 1.438 6.520 1.00 50.21 H new ATOM 0 HB3 LEU A 88 2.098 -0.234 6.019 1.00 50.21 H new ATOM 0 HG LEU A 88 0.311 1.278 4.908 1.00 75.44 H new ATOM 0 HD11 LEU A 88 -1.183 -0.658 4.599 1.00 61.52 H new ATOM 0 HD12 LEU A 88 0.532 -1.125 4.503 1.00 61.52 H new ATOM 0 HD13 LEU A 88 -0.404 -1.473 5.976 1.00 61.52 H new ATOM 0 HD21 LEU A 88 -1.887 1.227 6.026 1.00 42.34 H new ATOM 0 HD22 LEU A 88 -1.136 0.485 7.458 1.00 42.34 H new ATOM 0 HD23 LEU A 88 -0.686 2.137 6.973 1.00 42.34 H new ATOM 1434 N THR A 89 -0.295 1.174 9.408 1.00 64.03 N ATOM 1435 CA THR A 89 -0.781 2.248 10.265 1.00 23.41 C ATOM 1436 C THR A 89 0.025 2.327 11.557 1.00 1.31 C ATOM 1437 O THR A 89 0.490 3.399 11.945 1.00 23.12 O ATOM 1438 CB THR A 89 -2.269 2.059 10.613 1.00 60.03 C ATOM 1439 OG1 THR A 89 -3.076 2.276 9.450 1.00 43.42 O ATOM 1440 CG2 THR A 89 -2.693 3.017 11.717 1.00 62.33 C ATOM 0 H THR A 89 -0.958 0.411 9.271 1.00 64.03 H new ATOM 0 HA THR A 89 -0.661 3.177 9.707 1.00 23.41 H new ATOM 0 HB THR A 89 -2.409 1.038 10.966 1.00 60.03 H new ATOM 0 HG1 THR A 89 -2.832 1.627 8.757 1.00 43.42 H new ATOM 0 HG21 THR A 89 -3.748 2.865 11.946 1.00 62.33 H new ATOM 0 HG22 THR A 89 -2.097 2.829 12.610 1.00 62.33 H new ATOM 0 HG23 THR A 89 -2.538 4.044 11.387 1.00 62.33 H new ATOM 1448 N SER A 90 0.187 1.186 12.219 1.00 2.31 N ATOM 1449 CA SER A 90 0.935 1.128 13.470 1.00 20.54 C ATOM 1450 C SER A 90 2.436 1.201 13.209 1.00 23.04 C ATOM 1451 O SER A 90 3.193 1.729 14.024 1.00 22.42 O ATOM 1452 CB SER A 90 0.599 -0.158 14.229 1.00 4.15 C ATOM 1453 OG SER A 90 1.384 -0.276 15.403 1.00 23.41 O ATOM 0 H SER A 90 -0.189 0.290 11.910 1.00 2.31 H new ATOM 0 HA SER A 90 0.648 1.986 14.078 1.00 20.54 H new ATOM 0 HB2 SER A 90 -0.459 -0.163 14.493 1.00 4.15 H new ATOM 0 HB3 SER A 90 0.771 -1.020 13.584 1.00 4.15 H new ATOM 0 HG SER A 90 1.150 -1.105 15.871 1.00 23.41 H new ATOM 1459 N ILE A 91 2.859 0.669 12.069 1.00 72.55 N ATOM 1460 CA ILE A 91 4.269 0.673 11.699 1.00 13.53 C ATOM 1461 C ILE A 91 4.736 2.079 11.334 1.00 64.10 C ATOM 1462 O ILE A 91 5.889 2.442 11.570 1.00 74.55 O ATOM 1463 CB ILE A 91 4.544 -0.271 10.514 1.00 43.21 C ATOM 1464 CG1 ILE A 91 4.064 -1.687 10.839 1.00 1.02 C ATOM 1465 CG2 ILE A 91 6.026 -0.273 10.172 1.00 3.50 C ATOM 1466 CD1 ILE A 91 4.032 -2.605 9.637 1.00 24.23 C ATOM 0 H ILE A 91 2.245 0.229 11.384 1.00 72.55 H new ATOM 0 HA ILE A 91 4.825 0.321 12.568 1.00 13.53 H new ATOM 0 HB ILE A 91 3.991 0.089 9.646 1.00 43.21 H new ATOM 0 HG12 ILE A 91 4.717 -2.118 11.598 1.00 1.02 H new ATOM 0 HG13 ILE A 91 3.065 -1.633 11.271 1.00 1.02 H new ATOM 0 HG21 ILE A 91 6.205 -0.945 9.333 1.00 3.50 H new ATOM 0 HG22 ILE A 91 6.339 0.736 9.902 1.00 3.50 H new ATOM 0 HG23 ILE A 91 6.598 -0.611 11.036 1.00 3.50 H new ATOM 0 HD11 ILE A 91 3.682 -3.591 9.942 1.00 24.23 H new ATOM 0 HD12 ILE A 91 3.357 -2.197 8.885 1.00 24.23 H new ATOM 0 HD13 ILE A 91 5.034 -2.689 9.217 1.00 24.23 H new ATOM 1478 N SER A 92 3.832 2.866 10.761 1.00 42.21 N ATOM 1479 CA SER A 92 4.152 4.232 10.361 1.00 15.01 C ATOM 1480 C SER A 92 4.304 5.134 11.583 1.00 72.14 C ATOM 1481 O SER A 92 3.753 4.854 12.646 1.00 21.51 O ATOM 1482 CB SER A 92 3.064 4.784 9.439 1.00 51.31 C ATOM 1483 OG SER A 92 3.234 6.174 9.225 1.00 10.23 O ATOM 0 H SER A 92 2.873 2.582 10.563 1.00 42.21 H new ATOM 0 HA SER A 92 5.100 4.214 9.823 1.00 15.01 H new ATOM 0 HB2 SER A 92 3.092 4.260 8.484 1.00 51.31 H new ATOM 0 HB3 SER A 92 2.083 4.597 9.876 1.00 51.31 H new ATOM 0 HG SER A 92 2.527 6.502 8.631 1.00 10.23 H new