USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 582 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 31 TYR OH : rot 72:sc= -1.28! USER MOD Set 1.2: A 66 LYS NZ :NH3+ -142:sc= 0.348 (180deg=-0.0342) USER MOD Set 2.1: A 42 THR OG1 : rot 180:sc= -0.0212 USER MOD Set 2.2: A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -29:sc= 0.239 USER MOD Single : A 11 TYR OH : rot 52:sc= 0.337 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -51:sc= 0.654 USER MOD Single : A 18 HIS : no HE2:sc= -0.308 K(o=-0.31,f=-2.5!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.271 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0322 K(o=-0.032,f=-0.78) USER MOD Single : A 36 LYS NZ :NH3+ 155:sc= 0.756 (180deg=0.143) USER MOD Single : A 37 CYS SG : rot -60:sc= -4.31! USER MOD Single : A 40 LYS NZ :NH3+ -156:sc= 0.558 (180deg=0.266) USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000201) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.0922 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0104) USER MOD Single : A 83 ASN : amide:sc= 0.013 X(o=0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 157 N SER A 8 1.694 -0.685 6.584 1.00 73.25 N ATOM 158 CA SER A 8 0.894 -1.743 5.975 1.00 30.50 C ATOM 159 C SER A 8 1.639 -3.079 5.942 1.00 11.31 C ATOM 160 O SER A 8 2.825 -3.131 5.622 1.00 43.41 O ATOM 161 CB SER A 8 0.464 -1.323 4.567 1.00 32.32 C ATOM 162 OG SER A 8 1.549 -0.789 3.819 1.00 23.12 O ATOM 0 HA SER A 8 0.007 -1.891 6.591 1.00 30.50 H new ATOM 0 HB2 SER A 8 0.050 -2.184 4.042 1.00 32.32 H new ATOM 0 HB3 SER A 8 -0.330 -0.579 4.636 1.00 32.32 H new ATOM 0 HG SER A 8 2.191 -0.369 4.429 1.00 23.12 H new ATOM 168 N ARG A 9 0.915 -4.160 6.254 1.00 54.14 N ATOM 169 CA ARG A 9 1.506 -5.495 6.352 1.00 34.10 C ATOM 170 C ARG A 9 0.619 -6.558 5.719 1.00 44.33 C ATOM 171 O ARG A 9 -0.571 -6.367 5.601 1.00 32.52 O ATOM 172 CB ARG A 9 1.791 -5.895 7.816 1.00 1.43 C ATOM 173 CG ARG A 9 0.587 -5.815 8.755 1.00 40.54 C ATOM 174 CD ARG A 9 0.537 -4.491 9.494 1.00 24.52 C ATOM 175 NE ARG A 9 -0.663 -4.354 10.318 1.00 13.13 N ATOM 176 CZ ARG A 9 -0.781 -3.481 11.327 1.00 73.41 C ATOM 177 NH1 ARG A 9 0.230 -2.664 11.639 1.00 63.50 N ATOM 178 NH2 ARG A 9 -1.914 -3.427 12.023 1.00 70.44 N ATOM 0 H ARG A 9 -0.087 -4.133 6.444 1.00 54.14 H new ATOM 0 HA ARG A 9 2.448 -5.442 5.806 1.00 34.10 H new ATOM 0 HB2 ARG A 9 2.176 -6.915 7.830 1.00 1.43 H new ATOM 0 HB3 ARG A 9 2.580 -5.251 8.206 1.00 1.43 H new ATOM 0 HG2 ARG A 9 -0.331 -5.946 8.182 1.00 40.54 H new ATOM 0 HG3 ARG A 9 0.633 -6.632 9.475 1.00 40.54 H new ATOM 0 HD2 ARG A 9 1.420 -4.398 10.126 1.00 24.52 H new ATOM 0 HD3 ARG A 9 0.574 -3.675 8.773 1.00 24.52 H new ATOM 0 HE ARG A 9 -1.458 -4.959 10.112 1.00 13.13 H new ATOM 0 HH11 ARG A 9 1.100 -2.702 11.107 1.00 63.50 H new ATOM 0 HH12 ARG A 9 0.132 -2.002 12.409 1.00 63.50 H new ATOM 0 HH21 ARG A 9 -2.688 -4.049 11.787 1.00 70.44 H new ATOM 0 HH22 ARG A 9 -2.009 -2.764 12.792 1.00 70.44 H new ATOM 192 N ILE A 10 1.210 -7.690 5.352 1.00 55.04 N ATOM 193 CA ILE A 10 0.458 -8.833 4.833 1.00 32.34 C ATOM 194 C ILE A 10 0.634 -10.032 5.759 1.00 64.01 C ATOM 195 O ILE A 10 1.729 -10.224 6.340 1.00 22.21 O ATOM 196 CB ILE A 10 0.853 -9.156 3.346 1.00 14.45 C ATOM 197 CG1 ILE A 10 0.054 -8.239 2.420 1.00 15.14 C ATOM 198 CG2 ILE A 10 0.631 -10.629 2.949 1.00 43.42 C ATOM 199 CD1 ILE A 10 0.472 -8.280 0.962 1.00 53.50 C ATOM 0 H ILE A 10 2.217 -7.844 5.404 1.00 55.04 H new ATOM 0 HA ILE A 10 -0.602 -8.580 4.814 1.00 32.34 H new ATOM 0 HB ILE A 10 1.924 -8.981 3.250 1.00 14.45 H new ATOM 0 HG12 ILE A 10 -1.000 -8.508 2.488 1.00 15.14 H new ATOM 0 HG13 ILE A 10 0.146 -7.214 2.780 1.00 15.14 H new ATOM 0 HG21 ILE A 10 0.926 -10.774 1.910 1.00 43.42 H new ATOM 0 HG22 ILE A 10 1.232 -11.273 3.590 1.00 43.42 H new ATOM 0 HG23 ILE A 10 -0.423 -10.882 3.066 1.00 43.42 H new ATOM 0 HD11 ILE A 10 -0.152 -7.597 0.385 1.00 53.50 H new ATOM 0 HD12 ILE A 10 1.516 -7.980 0.874 1.00 53.50 H new ATOM 0 HD13 ILE A 10 0.352 -9.293 0.578 1.00 53.50 H new ATOM 211 N TYR A 11 -0.472 -10.789 5.934 1.00 42.05 N ATOM 212 CA TYR A 11 -0.470 -11.996 6.753 1.00 24.12 C ATOM 213 C TYR A 11 -0.571 -13.218 5.844 1.00 45.31 C ATOM 214 O TYR A 11 -1.548 -13.368 5.086 1.00 5.10 O ATOM 215 CB TYR A 11 -1.657 -11.961 7.739 1.00 74.34 C ATOM 216 CG TYR A 11 -1.579 -12.954 8.895 1.00 3.23 C ATOM 217 CD1 TYR A 11 -2.072 -14.255 8.781 1.00 55.13 C ATOM 218 CD2 TYR A 11 -1.023 -12.574 10.113 1.00 32.35 C ATOM 219 CE1 TYR A 11 -2.010 -15.137 9.846 1.00 4.25 C ATOM 220 CE2 TYR A 11 -0.958 -13.454 11.176 1.00 2.42 C ATOM 221 CZ TYR A 11 -1.451 -14.732 11.036 1.00 64.21 C ATOM 222 OH TYR A 11 -1.395 -15.603 12.100 1.00 64.34 O ATOM 0 H TYR A 11 -1.375 -10.574 5.512 1.00 42.05 H new ATOM 0 HA TYR A 11 0.455 -12.051 7.326 1.00 24.12 H new ATOM 0 HB2 TYR A 11 -1.735 -10.955 8.151 1.00 74.34 H new ATOM 0 HB3 TYR A 11 -2.575 -12.149 7.182 1.00 74.34 H new ATOM 0 HD1 TYR A 11 -2.508 -14.578 7.848 1.00 55.13 H new ATOM 0 HD2 TYR A 11 -0.635 -11.573 10.229 1.00 32.35 H new ATOM 0 HE1 TYR A 11 -2.399 -16.139 9.743 1.00 4.25 H new ATOM 0 HE2 TYR A 11 -0.522 -13.141 12.113 1.00 2.42 H new ATOM 0 HH TYR A 11 -0.988 -16.446 11.811 1.00 64.34 H new ATOM 232 N VAL A 12 0.439 -14.084 5.897 1.00 41.01 N ATOM 233 CA VAL A 12 0.370 -15.343 5.159 1.00 42.10 C ATOM 234 C VAL A 12 0.550 -16.556 6.099 1.00 15.03 C ATOM 235 O VAL A 12 1.616 -16.797 6.646 1.00 72.50 O ATOM 236 CB VAL A 12 1.340 -15.366 3.920 1.00 34.31 C ATOM 237 CG1 VAL A 12 2.765 -15.000 4.283 1.00 12.42 C ATOM 238 CG2 VAL A 12 1.314 -16.713 3.218 1.00 75.34 C ATOM 0 H VAL A 12 1.297 -13.943 6.431 1.00 41.01 H new ATOM 0 HA VAL A 12 -0.633 -15.423 4.740 1.00 42.10 H new ATOM 0 HB VAL A 12 0.969 -14.603 3.236 1.00 34.31 H new ATOM 0 HG11 VAL A 12 3.388 -15.033 3.389 1.00 12.42 H new ATOM 0 HG12 VAL A 12 2.787 -13.995 4.704 1.00 12.42 H new ATOM 0 HG13 VAL A 12 3.147 -15.709 5.018 1.00 12.42 H new ATOM 0 HG21 VAL A 12 1.995 -16.693 2.367 1.00 75.34 H new ATOM 0 HG22 VAL A 12 1.625 -17.492 3.914 1.00 75.34 H new ATOM 0 HG23 VAL A 12 0.303 -16.922 2.868 1.00 75.34 H new ATOM 248 N GLY A 13 -0.540 -17.294 6.281 1.00 5.15 N ATOM 249 CA GLY A 13 -0.530 -18.495 7.089 1.00 55.14 C ATOM 250 C GLY A 13 -0.816 -19.758 6.287 1.00 2.20 C ATOM 251 O GLY A 13 -1.228 -19.683 5.122 1.00 24.24 O ATOM 0 H GLY A 13 -1.448 -17.073 5.872 1.00 5.15 H new ATOM 0 HA2 GLY A 13 0.442 -18.592 7.573 1.00 55.14 H new ATOM 0 HA3 GLY A 13 -1.273 -18.399 7.881 1.00 55.14 H new ATOM 255 N ASN A 14 -0.543 -20.926 6.920 1.00 5.42 N ATOM 256 CA ASN A 14 -0.844 -22.269 6.368 1.00 74.32 C ATOM 257 C ASN A 14 -0.218 -22.506 4.985 1.00 40.30 C ATOM 258 O ASN A 14 -0.740 -23.265 4.181 1.00 32.33 O ATOM 259 CB ASN A 14 -2.366 -22.498 6.315 1.00 14.32 C ATOM 260 CG ASN A 14 -2.923 -23.012 7.629 1.00 4.44 C ATOM 261 OD1 ASN A 14 -2.944 -24.217 7.876 1.00 33.33 O ATOM 262 ND2 ASN A 14 -3.396 -22.106 8.471 1.00 21.11 N ATOM 0 H ASN A 14 -0.102 -20.961 7.839 1.00 5.42 H new ATOM 0 HA ASN A 14 -0.390 -22.994 7.044 1.00 74.32 H new ATOM 0 HB2 ASN A 14 -2.862 -21.563 6.055 1.00 14.32 H new ATOM 0 HB3 ASN A 14 -2.595 -23.211 5.523 1.00 14.32 H new ATOM 0 HD21 ASN A 14 -3.797 -22.398 9.362 1.00 21.11 H new ATOM 0 HD22 ASN A 14 -3.360 -21.116 8.228 1.00 21.11 H new ATOM 269 N LEU A 15 0.922 -21.870 4.737 1.00 13.40 N ATOM 270 CA LEU A 15 1.537 -21.880 3.423 1.00 54.30 C ATOM 271 C LEU A 15 2.493 -23.068 3.251 1.00 3.34 C ATOM 272 O LEU A 15 3.200 -23.446 4.193 1.00 1.34 O ATOM 273 CB LEU A 15 2.242 -20.533 3.125 1.00 24.43 C ATOM 274 CG LEU A 15 3.551 -20.205 3.876 1.00 54.31 C ATOM 275 CD1 LEU A 15 4.323 -19.177 3.081 1.00 73.05 C ATOM 276 CD2 LEU A 15 3.303 -19.669 5.283 1.00 61.21 C ATOM 0 H LEU A 15 1.439 -21.338 5.437 1.00 13.40 H new ATOM 0 HA LEU A 15 0.740 -22.005 2.690 1.00 54.30 H new ATOM 0 HB2 LEU A 15 2.455 -20.500 2.057 1.00 24.43 H new ATOM 0 HB3 LEU A 15 1.531 -19.733 3.333 1.00 24.43 H new ATOM 0 HG LEU A 15 4.116 -21.132 3.978 1.00 54.31 H new ATOM 0 HD11 LEU A 15 5.250 -18.936 3.601 1.00 73.05 H new ATOM 0 HD12 LEU A 15 4.554 -19.578 2.094 1.00 73.05 H new ATOM 0 HD13 LEU A 15 3.722 -18.274 2.974 1.00 73.05 H new ATOM 0 HD21 LEU A 15 4.257 -19.455 5.764 1.00 61.21 H new ATOM 0 HD22 LEU A 15 2.713 -18.754 5.225 1.00 61.21 H new ATOM 0 HD23 LEU A 15 2.761 -20.414 5.866 1.00 61.21 H new ATOM 288 N PRO A 16 2.494 -23.696 2.048 1.00 52.34 N ATOM 289 CA PRO A 16 3.438 -24.764 1.719 1.00 22.21 C ATOM 290 C PRO A 16 4.856 -24.238 1.509 1.00 3.54 C ATOM 291 O PRO A 16 5.032 -23.126 1.004 1.00 70.42 O ATOM 292 CB PRO A 16 2.878 -25.363 0.423 1.00 42.12 C ATOM 293 CG PRO A 16 2.046 -24.291 -0.197 1.00 15.44 C ATOM 294 CD PRO A 16 1.551 -23.427 0.934 1.00 2.14 C ATOM 0 HA PRO A 16 3.525 -25.492 2.526 1.00 22.21 H new ATOM 0 HB2 PRO A 16 3.683 -25.669 -0.246 1.00 42.12 H new ATOM 0 HB3 PRO A 16 2.280 -26.251 0.629 1.00 42.12 H new ATOM 0 HG2 PRO A 16 2.632 -23.705 -0.905 1.00 15.44 H new ATOM 0 HG3 PRO A 16 1.211 -24.720 -0.752 1.00 15.44 H new ATOM 0 HD2 PRO A 16 1.553 -22.372 0.658 1.00 2.14 H new ATOM 0 HD3 PRO A 16 0.528 -23.682 1.210 1.00 2.14 H new ATOM 302 N SER A 17 5.832 -25.049 1.978 1.00 62.45 N ATOM 303 CA SER A 17 7.301 -24.813 1.934 1.00 30.30 C ATOM 304 C SER A 17 7.790 -23.816 3.009 1.00 51.32 C ATOM 305 O SER A 17 8.913 -23.981 3.502 1.00 71.23 O ATOM 306 CB SER A 17 7.847 -24.414 0.527 1.00 22.51 C ATOM 307 OG SER A 17 7.772 -23.016 0.279 1.00 53.43 O ATOM 0 H SER A 17 5.607 -25.938 2.424 1.00 62.45 H new ATOM 0 HA SER A 17 7.724 -25.791 2.166 1.00 30.30 H new ATOM 0 HB2 SER A 17 8.884 -24.738 0.440 1.00 22.51 H new ATOM 0 HB3 SER A 17 7.282 -24.944 -0.240 1.00 22.51 H new ATOM 0 HG SER A 17 6.864 -22.699 0.467 1.00 53.43 H new ATOM 313 N HIS A 18 6.936 -22.810 3.358 1.00 13.14 N ATOM 314 CA HIS A 18 7.270 -21.697 4.270 1.00 42.32 C ATOM 315 C HIS A 18 8.295 -20.747 3.612 1.00 40.12 C ATOM 316 O HIS A 18 9.415 -21.148 3.263 1.00 71.35 O ATOM 317 CB HIS A 18 7.702 -22.223 5.686 1.00 62.40 C ATOM 318 CG HIS A 18 8.636 -21.348 6.485 1.00 1.32 C ATOM 319 ND1 HIS A 18 9.992 -21.574 6.537 1.00 63.34 N ATOM 320 CD2 HIS A 18 8.410 -20.245 7.237 1.00 32.42 C ATOM 321 CE1 HIS A 18 10.564 -20.649 7.276 1.00 74.42 C ATOM 322 NE2 HIS A 18 9.632 -19.829 7.719 1.00 44.41 N ATOM 0 H HIS A 18 5.982 -22.758 3.002 1.00 13.14 H new ATOM 0 HA HIS A 18 6.374 -21.102 4.449 1.00 42.32 H new ATOM 0 HB2 HIS A 18 6.801 -22.385 6.277 1.00 62.40 H new ATOM 0 HB3 HIS A 18 8.177 -23.196 5.556 1.00 62.40 H new ATOM 0 HD1 HIS A 18 10.479 -22.341 6.074 1.00 63.34 H new ATOM 0 HD2 HIS A 18 7.453 -19.780 7.424 1.00 32.42 H new ATOM 0 HE1 HIS A 18 11.621 -20.574 7.485 1.00 74.42 H new ATOM 331 N VAL A 19 7.902 -19.481 3.460 1.00 15.22 N ATOM 332 CA VAL A 19 8.823 -18.462 2.975 1.00 13.42 C ATOM 333 C VAL A 19 9.800 -18.088 4.087 1.00 72.44 C ATOM 334 O VAL A 19 9.404 -17.790 5.226 1.00 13.22 O ATOM 335 CB VAL A 19 8.119 -17.192 2.384 1.00 15.45 C ATOM 336 CG1 VAL A 19 7.369 -17.532 1.108 1.00 15.03 C ATOM 337 CG2 VAL A 19 7.167 -16.521 3.376 1.00 50.40 C ATOM 0 H VAL A 19 6.962 -19.143 3.664 1.00 15.22 H new ATOM 0 HA VAL A 19 9.364 -18.898 2.136 1.00 13.42 H new ATOM 0 HB VAL A 19 8.915 -16.481 2.163 1.00 15.45 H new ATOM 0 HG11 VAL A 19 6.889 -16.634 0.718 1.00 15.03 H new ATOM 0 HG12 VAL A 19 8.068 -17.921 0.368 1.00 15.03 H new ATOM 0 HG13 VAL A 19 6.610 -18.285 1.321 1.00 15.03 H new ATOM 0 HG21 VAL A 19 6.711 -15.648 2.909 1.00 50.40 H new ATOM 0 HG22 VAL A 19 6.388 -17.226 3.667 1.00 50.40 H new ATOM 0 HG23 VAL A 19 7.723 -16.210 4.260 1.00 50.40 H new ATOM 347 N SER A 20 11.080 -18.174 3.766 1.00 40.25 N ATOM 348 CA SER A 20 12.131 -17.799 4.697 1.00 41.31 C ATOM 349 C SER A 20 12.295 -16.289 4.635 1.00 13.02 C ATOM 350 O SER A 20 11.870 -15.685 3.661 1.00 14.20 O ATOM 351 CB SER A 20 13.438 -18.516 4.343 1.00 61.52 C ATOM 352 OG SER A 20 13.240 -19.915 4.255 1.00 24.24 O ATOM 0 H SER A 20 11.418 -18.503 2.861 1.00 40.25 H new ATOM 0 HA SER A 20 11.867 -18.096 5.712 1.00 41.31 H new ATOM 0 HB2 SER A 20 13.819 -18.138 3.394 1.00 61.52 H new ATOM 0 HB3 SER A 20 14.193 -18.299 5.099 1.00 61.52 H new ATOM 0 HG SER A 20 14.087 -20.352 4.026 1.00 24.24 H new ATOM 358 N SER A 21 12.907 -15.692 5.664 1.00 44.04 N ATOM 359 CA SER A 21 12.918 -14.231 5.840 1.00 12.31 C ATOM 360 C SER A 21 13.589 -13.479 4.675 1.00 10.03 C ATOM 361 O SER A 21 13.150 -12.401 4.319 1.00 12.42 O ATOM 362 CB SER A 21 13.575 -13.861 7.181 1.00 31.25 C ATOM 363 OG SER A 21 14.889 -14.393 7.298 1.00 32.33 O ATOM 0 H SER A 21 13.405 -16.201 6.394 1.00 44.04 H new ATOM 0 HA SER A 21 11.877 -13.909 5.845 1.00 12.31 H new ATOM 0 HB2 SER A 21 13.614 -12.776 7.278 1.00 31.25 H new ATOM 0 HB3 SER A 21 12.960 -14.233 8.000 1.00 31.25 H new ATOM 0 HG SER A 21 15.271 -14.134 8.162 1.00 32.33 H new ATOM 369 N ARG A 22 14.596 -14.102 4.059 1.00 50.45 N ATOM 370 CA ARG A 22 15.362 -13.519 2.943 1.00 12.51 C ATOM 371 C ARG A 22 14.568 -13.595 1.625 1.00 4.14 C ATOM 372 O ARG A 22 14.577 -12.656 0.796 1.00 44.30 O ATOM 373 CB ARG A 22 16.714 -14.252 2.784 1.00 21.11 C ATOM 374 CG ARG A 22 17.464 -14.490 4.102 1.00 64.24 C ATOM 375 CD ARG A 22 17.240 -15.910 4.638 1.00 23.43 C ATOM 376 NE ARG A 22 17.287 -15.975 6.106 1.00 20.14 N ATOM 377 CZ ARG A 22 18.250 -16.568 6.833 1.00 61.24 C ATOM 378 NH1 ARG A 22 19.293 -17.157 6.255 1.00 44.11 N ATOM 379 NH2 ARG A 22 18.141 -16.601 8.158 1.00 73.43 N ATOM 0 H ARG A 22 14.910 -15.037 4.320 1.00 50.45 H new ATOM 0 HA ARG A 22 15.546 -12.469 3.173 1.00 12.51 H new ATOM 0 HB2 ARG A 22 16.538 -15.213 2.301 1.00 21.11 H new ATOM 0 HB3 ARG A 22 17.352 -13.672 2.117 1.00 21.11 H new ATOM 0 HG2 ARG A 22 18.530 -14.324 3.948 1.00 64.24 H new ATOM 0 HG3 ARG A 22 17.132 -13.765 4.845 1.00 64.24 H new ATOM 0 HD2 ARG A 22 16.273 -16.276 4.293 1.00 23.43 H new ATOM 0 HD3 ARG A 22 17.999 -16.574 4.224 1.00 23.43 H new ATOM 0 HE ARG A 22 16.523 -15.532 6.617 1.00 20.14 H new ATOM 0 HH11 ARG A 22 19.375 -17.165 5.238 1.00 44.11 H new ATOM 0 HH12 ARG A 22 20.011 -17.600 6.828 1.00 44.11 H new ATOM 0 HH21 ARG A 22 17.332 -16.179 8.614 1.00 73.43 H new ATOM 0 HH22 ARG A 22 18.866 -17.049 8.718 1.00 73.43 H new ATOM 393 N ASP A 23 13.870 -14.718 1.460 1.00 32.21 N ATOM 394 CA ASP A 23 13.063 -14.999 0.265 1.00 50.35 C ATOM 395 C ASP A 23 11.876 -14.047 0.196 1.00 23.24 C ATOM 396 O ASP A 23 11.634 -13.396 -0.827 1.00 42.05 O ATOM 397 CB ASP A 23 12.553 -16.447 0.292 1.00 64.31 C ATOM 398 CG ASP A 23 13.669 -17.461 0.433 1.00 43.43 C ATOM 399 OD1 ASP A 23 14.601 -17.451 -0.394 1.00 15.40 O ATOM 400 OD2 ASP A 23 13.612 -18.270 1.369 1.00 71.43 O ATOM 0 H ASP A 23 13.846 -15.465 2.154 1.00 32.21 H new ATOM 0 HA ASP A 23 13.692 -14.857 -0.614 1.00 50.35 H new ATOM 0 HB2 ASP A 23 11.854 -16.566 1.120 1.00 64.31 H new ATOM 0 HB3 ASP A 23 11.999 -16.649 -0.624 1.00 64.31 H new ATOM 405 N VAL A 24 11.181 -13.945 1.333 1.00 22.43 N ATOM 406 CA VAL A 24 10.049 -13.048 1.499 1.00 42.25 C ATOM 407 C VAL A 24 10.521 -11.573 1.513 1.00 30.22 C ATOM 408 O VAL A 24 9.775 -10.686 1.097 1.00 34.12 O ATOM 409 CB VAL A 24 9.192 -13.447 2.753 1.00 21.01 C ATOM 410 CG1 VAL A 24 9.847 -13.122 4.082 1.00 52.21 C ATOM 411 CG2 VAL A 24 7.815 -12.835 2.695 1.00 3.45 C ATOM 0 H VAL A 24 11.396 -14.491 2.168 1.00 22.43 H new ATOM 0 HA VAL A 24 9.384 -13.149 0.641 1.00 42.25 H new ATOM 0 HB VAL A 24 9.112 -14.533 2.704 1.00 21.01 H new ATOM 0 HG11 VAL A 24 9.190 -13.429 4.896 1.00 52.21 H new ATOM 0 HG12 VAL A 24 10.795 -13.654 4.160 1.00 52.21 H new ATOM 0 HG13 VAL A 24 10.027 -12.049 4.146 1.00 52.21 H new ATOM 0 HG21 VAL A 24 7.248 -13.131 3.578 1.00 3.45 H new ATOM 0 HG22 VAL A 24 7.901 -11.749 2.666 1.00 3.45 H new ATOM 0 HG23 VAL A 24 7.300 -13.182 1.799 1.00 3.45 H new ATOM 421 N GLU A 25 11.768 -11.325 1.993 1.00 52.23 N ATOM 422 CA GLU A 25 12.408 -10.006 1.874 1.00 3.42 C ATOM 423 C GLU A 25 12.505 -9.567 0.407 1.00 72.43 C ATOM 424 O GLU A 25 12.013 -8.507 0.080 1.00 64.44 O ATOM 425 CB GLU A 25 13.807 -10.020 2.510 1.00 42.41 C ATOM 426 CG GLU A 25 14.545 -8.691 2.497 1.00 31.12 C ATOM 427 CD GLU A 25 15.945 -8.821 3.067 1.00 44.12 C ATOM 428 OE1 GLU A 25 16.852 -9.248 2.320 1.00 31.33 O ATOM 429 OE2 GLU A 25 16.134 -8.507 4.263 1.00 24.32 O ATOM 0 H GLU A 25 12.341 -12.025 2.463 1.00 52.23 H new ATOM 0 HA GLU A 25 11.785 -9.289 2.408 1.00 3.42 H new ATOM 0 HB2 GLU A 25 13.714 -10.354 3.543 1.00 42.41 H new ATOM 0 HB3 GLU A 25 14.416 -10.759 1.990 1.00 42.41 H new ATOM 0 HG2 GLU A 25 14.602 -8.316 1.475 1.00 31.12 H new ATOM 0 HG3 GLU A 25 13.983 -7.957 3.075 1.00 31.12 H new ATOM 436 N ASN A 26 13.078 -10.397 -0.487 1.00 44.23 N ATOM 437 CA ASN A 26 13.213 -9.995 -1.914 1.00 32.23 C ATOM 438 C ASN A 26 11.834 -9.887 -2.617 1.00 43.20 C ATOM 439 O ASN A 26 11.485 -8.838 -3.291 1.00 72.35 O ATOM 440 CB ASN A 26 14.099 -11.006 -2.672 1.00 5.23 C ATOM 441 CG ASN A 26 14.470 -10.533 -4.074 1.00 73.52 C ATOM 442 OD1 ASN A 26 14.647 -9.338 -4.320 1.00 64.21 O ATOM 443 ND2 ASN A 26 14.593 -11.468 -5.010 1.00 3.30 N ATOM 0 H ASN A 26 13.446 -11.322 -0.264 1.00 44.23 H new ATOM 0 HA ASN A 26 13.680 -9.010 -1.930 1.00 32.23 H new ATOM 0 HB2 ASN A 26 15.010 -11.183 -2.101 1.00 5.23 H new ATOM 0 HB3 ASN A 26 13.576 -11.960 -2.742 1.00 5.23 H new ATOM 0 HD21 ASN A 26 14.840 -11.205 -5.964 1.00 3.30 H new ATOM 0 HD22 ASN A 26 14.440 -12.449 -4.775 1.00 3.30 H new ATOM 450 N GLU A 27 11.030 -10.951 -2.405 1.00 60.15 N ATOM 451 CA GLU A 27 9.738 -11.090 -3.063 1.00 43.23 C ATOM 452 C GLU A 27 8.846 -9.903 -2.714 1.00 62.31 C ATOM 453 O GLU A 27 8.367 -9.229 -3.601 1.00 55.43 O ATOM 454 CB GLU A 27 9.059 -12.407 -2.637 1.00 43.43 C ATOM 455 CG GLU A 27 7.830 -12.779 -3.470 1.00 32.15 C ATOM 456 CD GLU A 27 7.067 -13.972 -2.931 1.00 14.20 C ATOM 457 OE1 GLU A 27 7.494 -15.115 -3.181 1.00 2.14 O ATOM 458 OE2 GLU A 27 6.018 -13.766 -2.283 1.00 41.25 O ATOM 0 H GLU A 27 11.265 -11.722 -1.779 1.00 60.15 H new ATOM 0 HA GLU A 27 9.894 -11.112 -4.142 1.00 43.23 H new ATOM 0 HB2 GLU A 27 9.787 -13.216 -2.703 1.00 43.43 H new ATOM 0 HB3 GLU A 27 8.764 -12.328 -1.591 1.00 43.43 H new ATOM 0 HG2 GLU A 27 7.160 -11.921 -3.516 1.00 32.15 H new ATOM 0 HG3 GLU A 27 8.145 -12.992 -4.491 1.00 32.15 H new ATOM 465 N PHE A 28 8.775 -9.572 -1.425 1.00 61.31 N ATOM 466 CA PHE A 28 7.945 -8.470 -0.933 1.00 33.31 C ATOM 467 C PHE A 28 8.620 -7.090 -1.083 1.00 65.34 C ATOM 468 O PHE A 28 7.948 -6.067 -0.924 1.00 11.31 O ATOM 469 CB PHE A 28 7.431 -8.726 0.482 1.00 13.12 C ATOM 470 CG PHE A 28 6.239 -9.666 0.538 1.00 54.51 C ATOM 471 CD1 PHE A 28 6.338 -10.996 0.153 1.00 54.43 C ATOM 472 CD2 PHE A 28 5.016 -9.211 0.999 1.00 30.11 C ATOM 473 CE1 PHE A 28 5.246 -11.843 0.223 1.00 61.23 C ATOM 474 CE2 PHE A 28 3.921 -10.052 1.071 1.00 42.20 C ATOM 475 CZ PHE A 28 4.038 -11.372 0.687 1.00 2.13 C ATOM 0 H PHE A 28 9.290 -10.059 -0.692 1.00 61.31 H new ATOM 0 HA PHE A 28 7.069 -8.436 -1.581 1.00 33.31 H new ATOM 0 HB2 PHE A 28 8.239 -9.142 1.083 1.00 13.12 H new ATOM 0 HB3 PHE A 28 7.154 -7.775 0.936 1.00 13.12 H new ATOM 0 HD1 PHE A 28 7.283 -11.376 -0.207 1.00 54.43 H new ATOM 0 HD2 PHE A 28 4.915 -8.181 1.308 1.00 30.11 H new ATOM 0 HE1 PHE A 28 5.341 -12.873 -0.086 1.00 61.23 H new ATOM 0 HE2 PHE A 28 2.974 -9.676 1.428 1.00 42.20 H new ATOM 0 HZ PHE A 28 3.186 -12.033 0.750 1.00 2.13 H new ATOM 485 N ARG A 29 9.955 -7.053 -1.318 1.00 24.21 N ATOM 486 CA ARG A 29 10.603 -5.817 -1.812 1.00 50.04 C ATOM 487 C ARG A 29 10.018 -5.411 -3.153 1.00 60.32 C ATOM 488 O ARG A 29 9.906 -4.211 -3.424 1.00 12.00 O ATOM 489 CB ARG A 29 12.131 -5.895 -1.985 1.00 22.34 C ATOM 490 CG ARG A 29 12.941 -5.593 -0.733 1.00 2.32 C ATOM 491 CD ARG A 29 14.322 -5.073 -1.069 1.00 11.34 C ATOM 492 NE ARG A 29 14.253 -3.721 -1.636 1.00 14.32 N ATOM 493 CZ ARG A 29 15.149 -3.197 -2.483 1.00 51.42 C ATOM 494 NH1 ARG A 29 16.202 -3.901 -2.880 1.00 62.14 N ATOM 495 NH2 ARG A 29 14.985 -1.956 -2.931 1.00 64.53 N ATOM 0 H ARG A 29 10.587 -7.841 -1.178 1.00 24.21 H new ATOM 0 HA ARG A 29 10.403 -5.086 -1.029 1.00 50.04 H new ATOM 0 HB2 ARG A 29 12.391 -6.895 -2.334 1.00 22.34 H new ATOM 0 HB3 ARG A 29 12.428 -5.197 -2.768 1.00 22.34 H new ATOM 0 HG2 ARG A 29 12.413 -4.857 -0.127 1.00 2.32 H new ATOM 0 HG3 ARG A 29 13.030 -6.497 -0.131 1.00 2.32 H new ATOM 0 HD2 ARG A 29 14.939 -5.063 -0.170 1.00 11.34 H new ATOM 0 HD3 ARG A 29 14.804 -5.745 -1.779 1.00 11.34 H new ATOM 0 HE ARG A 29 13.463 -3.136 -1.365 1.00 14.32 H new ATOM 0 HH11 ARG A 29 16.337 -4.853 -2.540 1.00 62.14 H new ATOM 0 HH12 ARG A 29 16.877 -3.490 -3.525 1.00 62.14 H new ATOM 0 HH21 ARG A 29 14.180 -1.407 -2.630 1.00 64.53 H new ATOM 0 HH22 ARG A 29 15.664 -1.553 -3.576 1.00 64.53 H new ATOM 509 N LYS A 30 9.657 -6.402 -4.010 1.00 52.14 N ATOM 510 CA LYS A 30 8.840 -6.068 -5.223 1.00 44.34 C ATOM 511 C LYS A 30 7.434 -5.459 -4.867 1.00 72.21 C ATOM 512 O LYS A 30 6.934 -4.618 -5.612 1.00 60.03 O ATOM 513 CB LYS A 30 8.750 -7.308 -6.193 1.00 33.44 C ATOM 514 CG LYS A 30 7.337 -7.711 -6.710 1.00 52.54 C ATOM 515 CD LYS A 30 6.832 -6.867 -7.899 1.00 21.42 C ATOM 516 CE LYS A 30 5.365 -7.152 -8.226 1.00 31.30 C ATOM 517 NZ LYS A 30 5.189 -8.249 -9.189 1.00 5.53 N ATOM 0 H LYS A 30 9.898 -7.387 -3.902 1.00 52.14 H new ATOM 0 HA LYS A 30 9.359 -5.274 -5.759 1.00 44.34 H new ATOM 0 HB2 LYS A 30 9.380 -7.105 -7.059 1.00 33.44 H new ATOM 0 HB3 LYS A 30 9.180 -8.169 -5.680 1.00 33.44 H new ATOM 0 HG2 LYS A 30 7.357 -8.760 -7.006 1.00 52.54 H new ATOM 0 HG3 LYS A 30 6.624 -7.625 -5.890 1.00 52.54 H new ATOM 0 HD2 LYS A 30 6.952 -5.808 -7.668 1.00 21.42 H new ATOM 0 HD3 LYS A 30 7.445 -7.074 -8.776 1.00 21.42 H new ATOM 0 HE2 LYS A 30 4.835 -7.397 -7.305 1.00 31.30 H new ATOM 0 HE3 LYS A 30 4.907 -6.248 -8.627 1.00 31.30 H new ATOM 0 HZ1 LYS A 30 4.175 -8.393 -9.369 1.00 5.53 H new ATOM 0 HZ2 LYS A 30 5.668 -8.009 -10.080 1.00 5.53 H new ATOM 0 HZ3 LYS A 30 5.599 -9.122 -8.800 1.00 5.53 H new ATOM 531 N TYR A 31 6.838 -5.832 -3.722 1.00 73.54 N ATOM 532 CA TYR A 31 5.426 -5.453 -3.397 1.00 43.31 C ATOM 533 C TYR A 31 5.283 -4.001 -2.919 1.00 43.54 C ATOM 534 O TYR A 31 4.173 -3.483 -2.816 1.00 63.22 O ATOM 535 CB TYR A 31 4.809 -6.377 -2.311 1.00 74.43 C ATOM 536 CG TYR A 31 4.591 -7.844 -2.674 1.00 5.31 C ATOM 537 CD1 TYR A 31 5.499 -8.508 -3.447 1.00 54.52 C ATOM 538 CD2 TYR A 31 3.497 -8.564 -2.190 1.00 1.43 C ATOM 539 CE1 TYR A 31 5.366 -9.831 -3.750 1.00 4.31 C ATOM 540 CE2 TYR A 31 3.359 -9.912 -2.473 1.00 53.22 C ATOM 541 CZ TYR A 31 4.307 -10.534 -3.265 1.00 14.31 C ATOM 542 OH TYR A 31 4.216 -11.852 -3.547 1.00 43.44 O ATOM 0 H TYR A 31 7.296 -6.391 -3.002 1.00 73.54 H new ATOM 0 HA TYR A 31 4.889 -5.569 -4.338 1.00 43.31 H new ATOM 0 HB2 TYR A 31 5.453 -6.340 -1.433 1.00 74.43 H new ATOM 0 HB3 TYR A 31 3.847 -5.956 -2.019 1.00 74.43 H new ATOM 0 HD1 TYR A 31 6.351 -7.968 -3.832 1.00 54.52 H new ATOM 0 HD2 TYR A 31 2.751 -8.065 -1.589 1.00 1.43 H new ATOM 0 HE1 TYR A 31 6.100 -10.320 -4.374 1.00 4.31 H new ATOM 0 HE2 TYR A 31 2.522 -10.471 -2.081 1.00 53.22 H new ATOM 0 HH TYR A 31 4.894 -12.343 -3.038 1.00 43.44 H new ATOM 552 N GLY A 32 6.387 -3.343 -2.631 1.00 32.43 N ATOM 553 CA GLY A 32 6.317 -1.976 -2.173 1.00 3.32 C ATOM 554 C GLY A 32 7.321 -1.662 -1.088 1.00 33.40 C ATOM 555 O GLY A 32 6.993 -0.940 -0.154 1.00 33.23 O ATOM 0 H GLY A 32 7.329 -3.727 -2.705 1.00 32.43 H new ATOM 0 HA2 GLY A 32 6.483 -1.307 -3.018 1.00 3.32 H new ATOM 0 HA3 GLY A 32 5.313 -1.775 -1.800 1.00 3.32 H new ATOM 559 N ASN A 33 8.532 -2.240 -1.229 1.00 63.01 N ATOM 560 CA ASN A 33 9.701 -1.989 -0.348 1.00 14.02 C ATOM 561 C ASN A 33 9.436 -2.363 1.121 1.00 0.40 C ATOM 562 O ASN A 33 8.895 -1.573 1.900 1.00 53.03 O ATOM 563 CB ASN A 33 10.164 -0.528 -0.435 1.00 51.24 C ATOM 564 CG ASN A 33 11.673 -0.369 -0.385 1.00 42.51 C ATOM 565 OD1 ASN A 33 12.407 -1.274 0.029 1.00 3.00 O ATOM 566 ND2 ASN A 33 12.144 0.799 -0.794 1.00 23.24 N ATOM 0 H ASN A 33 8.733 -2.909 -1.973 1.00 63.01 H new ATOM 0 HA ASN A 33 10.494 -2.640 -0.716 1.00 14.02 H new ATOM 0 HB2 ASN A 33 9.791 -0.091 -1.361 1.00 51.24 H new ATOM 0 HB3 ASN A 33 9.719 0.036 0.385 1.00 51.24 H new ATOM 0 HD21 ASN A 33 13.148 0.979 -0.775 1.00 23.24 H new ATOM 0 HD22 ASN A 33 11.503 1.519 -1.128 1.00 23.24 H new ATOM 573 N ILE A 34 9.847 -3.571 1.493 1.00 21.12 N ATOM 574 CA ILE A 34 9.660 -4.079 2.858 1.00 61.13 C ATOM 575 C ILE A 34 10.676 -3.437 3.822 1.00 14.31 C ATOM 576 O ILE A 34 11.869 -3.325 3.514 1.00 64.00 O ATOM 577 CB ILE A 34 9.694 -5.665 2.890 1.00 33.32 C ATOM 578 CG1 ILE A 34 9.938 -6.271 4.305 1.00 22.35 C ATOM 579 CG2 ILE A 34 10.697 -6.213 1.900 1.00 41.20 C ATOM 580 CD1 ILE A 34 11.404 -6.569 4.677 1.00 64.25 C ATOM 0 H ILE A 34 10.316 -4.225 0.866 1.00 21.12 H new ATOM 0 HA ILE A 34 8.669 -3.788 3.206 1.00 61.13 H new ATOM 0 HB ILE A 34 8.691 -5.977 2.597 1.00 33.32 H new ATOM 0 HG12 ILE A 34 9.530 -5.584 5.046 1.00 22.35 H new ATOM 0 HG13 ILE A 34 9.370 -7.198 4.383 1.00 22.35 H new ATOM 0 HG21 ILE A 34 10.696 -7.302 1.946 1.00 41.20 H new ATOM 0 HG22 ILE A 34 10.427 -5.892 0.894 1.00 41.20 H new ATOM 0 HG23 ILE A 34 11.691 -5.840 2.145 1.00 41.20 H new ATOM 0 HD11 ILE A 34 11.446 -6.987 5.683 1.00 64.25 H new ATOM 0 HD12 ILE A 34 11.821 -7.285 3.969 1.00 64.25 H new ATOM 0 HD13 ILE A 34 11.983 -5.646 4.643 1.00 64.25 H new ATOM 592 N LEU A 35 10.166 -2.971 4.967 1.00 41.24 N ATOM 593 CA LEU A 35 11.022 -2.438 6.036 1.00 71.03 C ATOM 594 C LEU A 35 11.211 -3.497 7.128 1.00 4.41 C ATOM 595 O LEU A 35 12.243 -3.527 7.804 1.00 42.22 O ATOM 596 CB LEU A 35 10.440 -1.161 6.710 1.00 21.14 C ATOM 597 CG LEU A 35 10.007 0.046 5.829 1.00 30.25 C ATOM 598 CD1 LEU A 35 10.922 0.272 4.629 1.00 32.53 C ATOM 599 CD2 LEU A 35 8.555 -0.092 5.400 1.00 43.41 C ATOM 0 H LEU A 35 9.168 -2.951 5.178 1.00 41.24 H new ATOM 0 HA LEU A 35 11.967 -2.173 5.562 1.00 71.03 H new ATOM 0 HB2 LEU A 35 9.571 -1.467 7.292 1.00 21.14 H new ATOM 0 HB3 LEU A 35 11.186 -0.797 7.417 1.00 21.14 H new ATOM 0 HG LEU A 35 10.102 0.936 6.451 1.00 30.25 H new ATOM 0 HD11 LEU A 35 10.566 1.128 4.056 1.00 32.53 H new ATOM 0 HD12 LEU A 35 11.937 0.465 4.977 1.00 32.53 H new ATOM 0 HD13 LEU A 35 10.918 -0.616 3.996 1.00 32.53 H new ATOM 0 HD21 LEU A 35 8.274 0.763 4.785 1.00 43.41 H new ATOM 0 HD22 LEU A 35 8.431 -1.009 4.824 1.00 43.41 H new ATOM 0 HD23 LEU A 35 7.917 -0.129 6.283 1.00 43.41 H new ATOM 611 N LYS A 36 10.218 -4.376 7.282 1.00 34.24 N ATOM 612 CA LYS A 36 10.197 -5.344 8.377 1.00 43.24 C ATOM 613 C LYS A 36 9.623 -6.684 7.898 1.00 62.21 C ATOM 614 O LYS A 36 8.557 -6.729 7.289 1.00 54.34 O ATOM 615 CB LYS A 36 9.360 -4.732 9.527 1.00 73.40 C ATOM 616 CG LYS A 36 9.218 -5.562 10.814 1.00 63.41 C ATOM 617 CD LYS A 36 7.951 -6.421 10.823 1.00 33.54 C ATOM 618 CE LYS A 36 7.434 -6.658 12.230 1.00 4.43 C ATOM 619 NZ LYS A 36 6.892 -5.412 12.829 1.00 72.31 N ATOM 0 H LYS A 36 9.414 -4.436 6.657 1.00 34.24 H new ATOM 0 HA LYS A 36 11.206 -5.550 8.734 1.00 43.24 H new ATOM 0 HB2 LYS A 36 9.802 -3.772 9.792 1.00 73.40 H new ATOM 0 HB3 LYS A 36 8.360 -4.528 9.145 1.00 73.40 H new ATOM 0 HG2 LYS A 36 10.090 -6.206 10.925 1.00 63.41 H new ATOM 0 HG3 LYS A 36 9.205 -4.893 11.674 1.00 63.41 H new ATOM 0 HD2 LYS A 36 7.178 -5.932 10.230 1.00 33.54 H new ATOM 0 HD3 LYS A 36 8.159 -7.379 10.347 1.00 33.54 H new ATOM 0 HE2 LYS A 36 6.656 -7.421 12.209 1.00 4.43 H new ATOM 0 HE3 LYS A 36 8.240 -7.042 12.855 1.00 4.43 H new ATOM 0 HZ1 LYS A 36 6.193 -5.654 13.560 1.00 72.31 H new ATOM 0 HZ2 LYS A 36 7.667 -4.867 13.257 1.00 72.31 H new ATOM 0 HZ3 LYS A 36 6.435 -4.841 12.089 1.00 72.31 H new ATOM 633 N CYS A 37 10.349 -7.767 8.176 1.00 22.04 N ATOM 634 CA CYS A 37 9.889 -9.126 7.880 1.00 42.43 C ATOM 635 C CYS A 37 9.991 -9.982 9.129 1.00 0.34 C ATOM 636 O CYS A 37 11.098 -10.241 9.615 1.00 24.25 O ATOM 637 CB CYS A 37 10.714 -9.763 6.752 1.00 42.02 C ATOM 638 SG CYS A 37 9.896 -9.766 5.146 1.00 23.34 S ATOM 0 H CYS A 37 11.270 -7.728 8.612 1.00 22.04 H new ATOM 0 HA CYS A 37 8.851 -9.068 7.552 1.00 42.43 H new ATOM 0 HB2 CYS A 37 11.660 -9.229 6.664 1.00 42.02 H new ATOM 0 HB3 CYS A 37 10.952 -10.790 7.027 1.00 42.02 H new ATOM 0 HG CYS A 37 8.785 -10.436 5.226 1.00 23.34 H new ATOM 644 N ASP A 38 8.852 -10.408 9.660 1.00 34.40 N ATOM 645 CA ASP A 38 8.860 -11.206 10.879 1.00 24.43 C ATOM 646 C ASP A 38 8.050 -12.481 10.694 1.00 22.22 C ATOM 647 O ASP A 38 6.884 -12.438 10.337 1.00 22.05 O ATOM 648 CB ASP A 38 8.337 -10.386 12.062 1.00 51.41 C ATOM 649 CG ASP A 38 8.572 -11.066 13.398 1.00 60.42 C ATOM 650 OD1 ASP A 38 9.736 -11.405 13.697 1.00 53.01 O ATOM 651 OD2 ASP A 38 7.598 -11.265 14.141 1.00 0.22 O ATOM 0 H ASP A 38 7.927 -10.219 9.274 1.00 34.40 H new ATOM 0 HA ASP A 38 9.889 -11.493 11.096 1.00 24.43 H new ATOM 0 HB2 ASP A 38 8.823 -9.411 12.065 1.00 51.41 H new ATOM 0 HB3 ASP A 38 7.269 -10.209 11.932 1.00 51.41 H new ATOM 656 N VAL A 39 8.687 -13.617 10.937 1.00 23.24 N ATOM 657 CA VAL A 39 8.049 -14.915 10.740 1.00 63.40 C ATOM 658 C VAL A 39 7.550 -15.475 12.083 1.00 4.20 C ATOM 659 O VAL A 39 8.300 -15.548 13.061 1.00 34.42 O ATOM 660 CB VAL A 39 9.011 -15.917 10.026 1.00 34.04 C ATOM 661 CG1 VAL A 39 8.367 -17.288 9.837 1.00 75.33 C ATOM 662 CG2 VAL A 39 9.452 -15.372 8.668 1.00 45.10 C ATOM 0 H VAL A 39 9.649 -13.668 11.272 1.00 23.24 H new ATOM 0 HA VAL A 39 7.186 -14.777 10.088 1.00 63.40 H new ATOM 0 HB VAL A 39 9.882 -16.033 10.671 1.00 34.04 H new ATOM 0 HG11 VAL A 39 9.070 -17.954 9.337 1.00 75.33 H new ATOM 0 HG12 VAL A 39 8.103 -17.703 10.810 1.00 75.33 H new ATOM 0 HG13 VAL A 39 7.468 -17.187 9.229 1.00 75.33 H new ATOM 0 HG21 VAL A 39 10.121 -16.087 8.189 1.00 45.10 H new ATOM 0 HG22 VAL A 39 8.577 -15.215 8.037 1.00 45.10 H new ATOM 0 HG23 VAL A 39 9.973 -14.425 8.808 1.00 45.10 H new ATOM 672 N LYS A 40 6.278 -15.876 12.104 1.00 21.11 N ATOM 673 CA LYS A 40 5.630 -16.402 13.305 1.00 43.35 C ATOM 674 C LYS A 40 5.450 -17.914 13.174 1.00 11.14 C ATOM 675 O LYS A 40 5.083 -18.416 12.108 1.00 20.33 O ATOM 676 CB LYS A 40 4.242 -15.767 13.497 1.00 74.20 C ATOM 677 CG LYS A 40 4.199 -14.244 13.500 1.00 74.15 C ATOM 678 CD LYS A 40 4.856 -13.661 14.734 1.00 41.30 C ATOM 679 CE LYS A 40 4.577 -12.173 14.850 1.00 11.10 C ATOM 680 NZ LYS A 40 5.338 -11.559 15.965 1.00 55.33 N ATOM 0 H LYS A 40 5.668 -15.845 11.287 1.00 21.11 H new ATOM 0 HA LYS A 40 6.262 -16.165 14.161 1.00 43.35 H new ATOM 0 HB2 LYS A 40 3.587 -16.128 12.704 1.00 74.20 H new ATOM 0 HB3 LYS A 40 3.828 -16.124 14.440 1.00 74.20 H new ATOM 0 HG2 LYS A 40 4.700 -13.865 12.609 1.00 74.15 H new ATOM 0 HG3 LYS A 40 3.163 -13.910 13.449 1.00 74.15 H new ATOM 0 HD2 LYS A 40 4.488 -14.174 15.623 1.00 41.30 H new ATOM 0 HD3 LYS A 40 5.932 -13.830 14.691 1.00 41.30 H new ATOM 0 HE2 LYS A 40 4.840 -11.679 13.914 1.00 11.10 H new ATOM 0 HE3 LYS A 40 3.510 -12.014 15.006 1.00 11.10 H new ATOM 0 HZ1 LYS A 40 4.854 -10.694 16.281 1.00 55.33 H new ATOM 0 HZ2 LYS A 40 5.397 -12.231 16.756 1.00 55.33 H new ATOM 0 HZ3 LYS A 40 6.297 -11.320 15.641 1.00 55.33 H new ATOM 694 N LYS A 41 5.730 -18.649 14.241 1.00 32.35 N ATOM 695 CA LYS A 41 5.557 -20.095 14.218 1.00 10.24 C ATOM 696 C LYS A 41 4.769 -20.562 15.442 1.00 43.54 C ATOM 697 O LYS A 41 5.131 -20.243 16.574 1.00 65.35 O ATOM 698 CB LYS A 41 6.933 -20.774 14.161 1.00 51.23 C ATOM 699 CG LYS A 41 6.926 -22.200 13.594 1.00 21.35 C ATOM 700 CD LYS A 41 6.438 -22.277 12.135 1.00 22.42 C ATOM 701 CE LYS A 41 7.293 -21.461 11.162 1.00 4.23 C ATOM 702 NZ LYS A 41 8.701 -21.928 11.088 1.00 24.34 N ATOM 0 H LYS A 41 6.074 -18.273 15.125 1.00 32.35 H new ATOM 0 HA LYS A 41 4.988 -20.374 13.331 1.00 10.24 H new ATOM 0 HB2 LYS A 41 7.600 -20.161 13.555 1.00 51.23 H new ATOM 0 HB3 LYS A 41 7.351 -20.801 15.167 1.00 51.23 H new ATOM 0 HG2 LYS A 41 7.933 -22.612 13.654 1.00 21.35 H new ATOM 0 HG3 LYS A 41 6.288 -22.827 14.216 1.00 21.35 H new ATOM 0 HD2 LYS A 41 6.433 -23.319 11.816 1.00 22.42 H new ATOM 0 HD3 LYS A 41 5.408 -21.924 12.085 1.00 22.42 H new ATOM 0 HE2 LYS A 41 6.848 -21.510 10.168 1.00 4.23 H new ATOM 0 HE3 LYS A 41 7.280 -20.414 11.466 1.00 4.23 H new ATOM 0 HZ1 LYS A 41 9.224 -21.348 10.401 1.00 24.34 H new ATOM 0 HZ2 LYS A 41 9.145 -21.841 12.024 1.00 24.34 H new ATOM 0 HZ3 LYS A 41 8.721 -22.923 10.787 1.00 24.34 H new ATOM 716 N THR A 42 3.688 -21.302 15.207 1.00 22.35 N ATOM 717 CA THR A 42 2.879 -21.846 16.297 1.00 11.51 C ATOM 718 C THR A 42 3.200 -23.337 16.536 1.00 12.05 C ATOM 719 O THR A 42 3.818 -23.998 15.691 1.00 51.44 O ATOM 720 CB THR A 42 1.352 -21.620 16.040 1.00 32.05 C ATOM 721 OG1 THR A 42 0.562 -22.010 17.174 1.00 15.13 O ATOM 722 CG2 THR A 42 0.861 -22.374 14.808 1.00 24.34 C ATOM 0 H THR A 42 3.352 -21.539 14.274 1.00 22.35 H new ATOM 0 HA THR A 42 3.138 -21.304 17.207 1.00 11.51 H new ATOM 0 HB THR A 42 1.230 -20.551 15.868 1.00 32.05 H new ATOM 0 HG1 THR A 42 -0.386 -21.854 16.981 1.00 15.13 H new ATOM 0 HG21 THR A 42 -0.204 -22.188 14.668 1.00 24.34 H new ATOM 0 HG22 THR A 42 1.408 -22.031 13.930 1.00 24.34 H new ATOM 0 HG23 THR A 42 1.028 -23.442 14.945 1.00 24.34 H new ATOM 730 N VAL A 43 2.756 -23.846 17.697 1.00 53.43 N ATOM 731 CA VAL A 43 2.923 -25.256 18.101 1.00 63.43 C ATOM 732 C VAL A 43 1.932 -26.174 17.331 1.00 12.43 C ATOM 733 O VAL A 43 2.106 -27.395 17.274 1.00 5.44 O ATOM 734 CB VAL A 43 2.721 -25.403 19.654 1.00 54.54 C ATOM 735 CG1 VAL A 43 3.140 -26.780 20.171 1.00 73.24 C ATOM 736 CG2 VAL A 43 3.487 -24.326 20.417 1.00 23.53 C ATOM 0 H VAL A 43 2.264 -23.284 18.392 1.00 53.43 H new ATOM 0 HA VAL A 43 3.936 -25.569 17.849 1.00 63.43 H new ATOM 0 HB VAL A 43 1.652 -25.283 19.830 1.00 54.54 H new ATOM 0 HG11 VAL A 43 2.980 -26.828 21.248 1.00 73.24 H new ATOM 0 HG12 VAL A 43 2.544 -27.550 19.681 1.00 73.24 H new ATOM 0 HG13 VAL A 43 4.195 -26.945 19.953 1.00 73.24 H new ATOM 0 HG21 VAL A 43 3.327 -24.455 21.487 1.00 23.53 H new ATOM 0 HG22 VAL A 43 4.551 -24.411 20.196 1.00 23.53 H new ATOM 0 HG23 VAL A 43 3.131 -23.342 20.113 1.00 23.53 H new ATOM 746 N SER A 44 0.928 -25.557 16.685 1.00 12.52 N ATOM 747 CA SER A 44 -0.107 -26.279 15.929 1.00 73.45 C ATOM 748 C SER A 44 0.413 -26.803 14.572 1.00 24.01 C ATOM 749 O SER A 44 -0.266 -27.590 13.907 1.00 24.44 O ATOM 750 CB SER A 44 -1.312 -25.358 15.693 1.00 4.23 C ATOM 751 OG SER A 44 -1.740 -24.746 16.900 1.00 44.33 O ATOM 0 H SER A 44 0.812 -24.544 16.673 1.00 12.52 H new ATOM 0 HA SER A 44 -0.400 -27.143 16.525 1.00 73.45 H new ATOM 0 HB2 SER A 44 -1.048 -24.589 14.967 1.00 4.23 H new ATOM 0 HB3 SER A 44 -2.133 -25.933 15.264 1.00 4.23 H new ATOM 0 HG SER A 44 -2.507 -24.164 16.718 1.00 44.33 H new ATOM 757 N GLY A 45 1.606 -26.348 14.155 1.00 14.31 N ATOM 758 CA GLY A 45 2.220 -26.843 12.929 1.00 41.20 C ATOM 759 C GLY A 45 2.054 -25.910 11.742 1.00 53.24 C ATOM 760 O GLY A 45 2.574 -26.187 10.658 1.00 20.03 O ATOM 0 H GLY A 45 2.154 -25.644 14.649 1.00 14.31 H new ATOM 0 HA2 GLY A 45 3.283 -27.006 13.106 1.00 41.20 H new ATOM 0 HA3 GLY A 45 1.786 -27.812 12.682 1.00 41.20 H new ATOM 764 N ALA A 46 1.327 -24.813 11.939 1.00 34.02 N ATOM 765 CA ALA A 46 1.122 -23.833 10.883 1.00 21.11 C ATOM 766 C ALA A 46 2.234 -22.789 10.873 1.00 45.32 C ATOM 767 O ALA A 46 2.753 -22.386 11.923 1.00 63.44 O ATOM 768 CB ALA A 46 -0.241 -23.161 11.020 1.00 62.45 C ATOM 0 H ALA A 46 0.871 -24.583 12.822 1.00 34.02 H new ATOM 0 HA ALA A 46 1.150 -24.364 9.931 1.00 21.11 H new ATOM 0 HB1 ALA A 46 -0.370 -22.433 10.219 1.00 62.45 H new ATOM 0 HB2 ALA A 46 -1.026 -23.914 10.955 1.00 62.45 H new ATOM 0 HB3 ALA A 46 -0.302 -22.655 11.984 1.00 62.45 H new ATOM 774 N ALA A 47 2.598 -22.367 9.675 1.00 55.15 N ATOM 775 CA ALA A 47 3.605 -21.345 9.486 1.00 64.54 C ATOM 776 C ALA A 47 2.931 -20.044 9.110 1.00 0.33 C ATOM 777 O ALA A 47 1.937 -20.058 8.397 1.00 43.43 O ATOM 778 CB ALA A 47 4.590 -21.766 8.402 1.00 71.45 C ATOM 0 H ALA A 47 2.201 -22.726 8.806 1.00 55.15 H new ATOM 0 HA ALA A 47 4.159 -21.208 10.414 1.00 64.54 H new ATOM 0 HB1 ALA A 47 5.342 -20.987 8.271 1.00 71.45 H new ATOM 0 HB2 ALA A 47 5.078 -22.696 8.695 1.00 71.45 H new ATOM 0 HB3 ALA A 47 4.056 -21.916 7.464 1.00 71.45 H new ATOM 784 N PHE A 48 3.453 -18.930 9.601 1.00 41.53 N ATOM 785 CA PHE A 48 2.903 -17.621 9.271 1.00 24.51 C ATOM 786 C PHE A 48 4.044 -16.658 8.993 1.00 31.14 C ATOM 787 O PHE A 48 5.150 -16.842 9.488 1.00 33.42 O ATOM 788 CB PHE A 48 2.051 -17.001 10.401 1.00 1.13 C ATOM 789 CG PHE A 48 1.149 -17.930 11.169 1.00 10.34 C ATOM 790 CD1 PHE A 48 -0.043 -18.375 10.629 1.00 45.30 C ATOM 791 CD2 PHE A 48 1.485 -18.327 12.451 1.00 30.10 C ATOM 792 CE1 PHE A 48 -0.877 -19.207 11.342 1.00 0.23 C ATOM 793 CE2 PHE A 48 0.655 -19.152 13.171 1.00 3.13 C ATOM 794 CZ PHE A 48 -0.530 -19.593 12.618 1.00 34.54 C ATOM 0 H PHE A 48 4.256 -18.905 10.229 1.00 41.53 H new ATOM 0 HA PHE A 48 2.258 -17.774 8.406 1.00 24.51 H new ATOM 0 HB2 PHE A 48 2.726 -16.523 11.110 1.00 1.13 H new ATOM 0 HB3 PHE A 48 1.435 -16.214 9.967 1.00 1.13 H new ATOM 0 HD1 PHE A 48 -0.324 -18.066 9.633 1.00 45.30 H new ATOM 0 HD2 PHE A 48 2.410 -17.985 12.891 1.00 30.10 H new ATOM 0 HE1 PHE A 48 -1.800 -19.556 10.902 1.00 0.23 H new ATOM 0 HE2 PHE A 48 0.930 -19.456 14.170 1.00 3.13 H new ATOM 0 HZ PHE A 48 -1.184 -20.239 13.184 1.00 34.54 H new ATOM 804 N ALA A 49 3.770 -15.649 8.184 1.00 41.34 N ATOM 805 CA ALA A 49 4.697 -14.554 7.986 1.00 0.44 C ATOM 806 C ALA A 49 3.938 -13.236 7.983 1.00 13.23 C ATOM 807 O ALA A 49 2.819 -13.133 7.441 1.00 2.31 O ATOM 808 CB ALA A 49 5.518 -14.727 6.712 1.00 41.24 C ATOM 0 H ALA A 49 2.904 -15.568 7.650 1.00 41.34 H new ATOM 0 HA ALA A 49 5.407 -14.551 8.813 1.00 0.44 H new ATOM 0 HB1 ALA A 49 6.200 -13.884 6.602 1.00 41.24 H new ATOM 0 HB2 ALA A 49 6.091 -15.652 6.771 1.00 41.24 H new ATOM 0 HB3 ALA A 49 4.850 -14.768 5.852 1.00 41.24 H new ATOM 814 N PHE A 50 4.558 -12.262 8.626 1.00 71.12 N ATOM 815 CA PHE A 50 4.029 -10.923 8.777 1.00 1.13 C ATOM 816 C PHE A 50 4.984 -9.983 8.047 1.00 12.23 C ATOM 817 O PHE A 50 6.178 -9.899 8.413 1.00 41.51 O ATOM 818 CB PHE A 50 3.991 -10.618 10.284 1.00 23.50 C ATOM 819 CG PHE A 50 2.984 -9.607 10.735 1.00 11.14 C ATOM 820 CD1 PHE A 50 1.651 -9.954 10.843 1.00 1.44 C ATOM 821 CD2 PHE A 50 3.377 -8.331 11.103 1.00 72.04 C ATOM 822 CE1 PHE A 50 0.719 -9.049 11.312 1.00 35.51 C ATOM 823 CE2 PHE A 50 2.451 -7.416 11.566 1.00 61.20 C ATOM 824 CZ PHE A 50 1.119 -7.779 11.672 1.00 25.04 C ATOM 0 H PHE A 50 5.468 -12.387 9.069 1.00 71.12 H new ATOM 0 HA PHE A 50 3.026 -10.808 8.365 1.00 1.13 H new ATOM 0 HB2 PHE A 50 3.801 -11.550 10.816 1.00 23.50 H new ATOM 0 HB3 PHE A 50 4.980 -10.274 10.588 1.00 23.50 H new ATOM 0 HD1 PHE A 50 1.334 -10.946 10.557 1.00 1.44 H new ATOM 0 HD2 PHE A 50 4.417 -8.049 11.027 1.00 72.04 H new ATOM 0 HE1 PHE A 50 -0.319 -9.335 11.397 1.00 35.51 H new ATOM 0 HE2 PHE A 50 2.765 -6.421 11.844 1.00 61.20 H new ATOM 0 HZ PHE A 50 0.393 -7.067 12.037 1.00 25.04 H new ATOM 834 N ILE A 51 4.489 -9.293 7.009 1.00 24.24 N ATOM 835 CA ILE A 51 5.403 -8.532 6.133 1.00 14.15 C ATOM 836 C ILE A 51 4.970 -7.077 5.982 1.00 33.44 C ATOM 837 O ILE A 51 3.976 -6.784 5.324 1.00 33.20 O ATOM 838 CB ILE A 51 5.541 -9.124 4.701 1.00 33.22 C ATOM 839 CG1 ILE A 51 5.719 -10.649 4.691 1.00 1.12 C ATOM 840 CG2 ILE A 51 6.740 -8.488 4.016 1.00 44.21 C ATOM 841 CD1 ILE A 51 4.429 -11.435 4.529 1.00 60.41 C ATOM 0 H ILE A 51 3.502 -9.243 6.758 1.00 24.24 H new ATOM 0 HA ILE A 51 6.367 -8.601 6.638 1.00 14.15 H new ATOM 0 HB ILE A 51 4.613 -8.903 4.174 1.00 33.22 H new ATOM 0 HG12 ILE A 51 6.397 -10.917 3.881 1.00 1.12 H new ATOM 0 HG13 ILE A 51 6.199 -10.952 5.622 1.00 1.12 H new ATOM 0 HG21 ILE A 51 6.844 -8.897 3.011 1.00 44.21 H new ATOM 0 HG22 ILE A 51 6.595 -7.409 3.955 1.00 44.21 H new ATOM 0 HG23 ILE A 51 7.642 -8.701 4.590 1.00 44.21 H new ATOM 0 HD11 ILE A 51 4.650 -12.502 4.533 1.00 60.41 H new ATOM 0 HD12 ILE A 51 3.755 -11.201 5.353 1.00 60.41 H new ATOM 0 HD13 ILE A 51 3.955 -11.166 3.585 1.00 60.41 H new ATOM 853 N GLU A 52 5.783 -6.178 6.521 1.00 14.52 N ATOM 854 CA GLU A 52 5.433 -4.771 6.630 1.00 42.44 C ATOM 855 C GLU A 52 6.229 -3.899 5.631 1.00 45.11 C ATOM 856 O GLU A 52 7.443 -3.707 5.769 1.00 51.34 O ATOM 857 CB GLU A 52 5.691 -4.362 8.076 1.00 2.30 C ATOM 858 CG GLU A 52 4.733 -3.338 8.635 1.00 41.53 C ATOM 859 CD GLU A 52 4.574 -3.439 10.143 1.00 20.22 C ATOM 860 OE1 GLU A 52 5.579 -3.681 10.844 1.00 21.01 O ATOM 861 OE2 GLU A 52 3.435 -3.276 10.630 1.00 71.32 O ATOM 0 H GLU A 52 6.704 -6.406 6.895 1.00 14.52 H new ATOM 0 HA GLU A 52 4.385 -4.617 6.372 1.00 42.44 H new ATOM 0 HB2 GLU A 52 5.650 -5.254 8.702 1.00 2.30 H new ATOM 0 HB3 GLU A 52 6.704 -3.967 8.150 1.00 2.30 H new ATOM 0 HG2 GLU A 52 5.086 -2.339 8.378 1.00 41.53 H new ATOM 0 HG3 GLU A 52 3.759 -3.463 8.163 1.00 41.53 H new ATOM 868 N PHE A 53 5.518 -3.427 4.599 1.00 12.31 N ATOM 869 CA PHE A 53 6.089 -2.609 3.504 1.00 73.14 C ATOM 870 C PHE A 53 5.571 -1.159 3.504 1.00 42.24 C ATOM 871 O PHE A 53 4.601 -0.838 4.202 1.00 73.03 O ATOM 872 CB PHE A 53 5.846 -3.272 2.135 1.00 22.13 C ATOM 873 CG PHE A 53 4.522 -3.964 1.995 1.00 12.43 C ATOM 874 CD1 PHE A 53 3.330 -3.272 2.143 1.00 74.53 C ATOM 875 CD2 PHE A 53 4.478 -5.318 1.737 1.00 41.55 C ATOM 876 CE1 PHE A 53 2.128 -3.918 2.035 1.00 71.23 C ATOM 877 CE2 PHE A 53 3.275 -5.964 1.627 1.00 72.11 C ATOM 878 CZ PHE A 53 2.102 -5.262 1.777 1.00 2.41 C ATOM 0 H PHE A 53 4.518 -3.600 4.493 1.00 12.31 H new ATOM 0 HA PHE A 53 7.162 -2.559 3.686 1.00 73.14 H new ATOM 0 HB2 PHE A 53 5.925 -2.510 1.359 1.00 22.13 H new ATOM 0 HB3 PHE A 53 6.640 -3.997 1.952 1.00 22.13 H new ATOM 0 HD1 PHE A 53 3.350 -2.211 2.346 1.00 74.53 H new ATOM 0 HD2 PHE A 53 5.398 -5.872 1.621 1.00 41.55 H new ATOM 0 HE1 PHE A 53 1.205 -3.370 2.153 1.00 71.23 H new ATOM 0 HE2 PHE A 53 3.248 -7.024 1.423 1.00 72.11 H new ATOM 0 HZ PHE A 53 1.155 -5.774 1.691 1.00 2.41 H new ATOM 888 N GLU A 54 6.231 -0.285 2.715 1.00 3.42 N ATOM 889 CA GLU A 54 5.855 1.135 2.643 1.00 35.31 C ATOM 890 C GLU A 54 4.670 1.411 1.677 1.00 53.22 C ATOM 891 O GLU A 54 3.962 2.398 1.870 1.00 74.21 O ATOM 892 CB GLU A 54 7.082 2.050 2.344 1.00 21.34 C ATOM 893 CG GLU A 54 7.507 2.199 0.880 1.00 53.43 C ATOM 894 CD GLU A 54 8.708 3.134 0.722 1.00 33.34 C ATOM 895 OE1 GLU A 54 8.613 4.317 1.118 1.00 52.23 O ATOM 896 OE2 GLU A 54 9.759 2.681 0.215 1.00 13.42 O ATOM 0 H GLU A 54 7.022 -0.540 2.124 1.00 3.42 H new ATOM 0 HA GLU A 54 5.491 1.396 3.637 1.00 35.31 H new ATOM 0 HB2 GLU A 54 6.865 3.044 2.735 1.00 21.34 H new ATOM 0 HB3 GLU A 54 7.934 1.666 2.905 1.00 21.34 H new ATOM 0 HG2 GLU A 54 7.755 1.219 0.473 1.00 53.43 H new ATOM 0 HG3 GLU A 54 6.670 2.583 0.297 1.00 53.43 H new ATOM 903 N ASP A 55 4.434 0.559 0.659 1.00 33.01 N ATOM 904 CA ASP A 55 3.283 0.767 -0.244 1.00 2.23 C ATOM 905 C ASP A 55 2.310 -0.400 -0.221 1.00 25.10 C ATOM 906 O ASP A 55 2.658 -1.535 -0.539 1.00 3.42 O ATOM 907 CB ASP A 55 3.720 1.016 -1.689 1.00 11.15 C ATOM 908 CG ASP A 55 3.626 2.477 -2.067 1.00 23.12 C ATOM 909 OD1 ASP A 55 2.546 2.898 -2.537 1.00 70.11 O ATOM 910 OD2 ASP A 55 4.619 3.210 -1.893 1.00 5.43 O ATOM 0 H ASP A 55 5.007 -0.257 0.444 1.00 33.01 H new ATOM 0 HA ASP A 55 2.778 1.655 0.135 1.00 2.23 H new ATOM 0 HB2 ASP A 55 4.746 0.673 -1.821 1.00 11.15 H new ATOM 0 HB3 ASP A 55 3.097 0.427 -2.362 1.00 11.15 H new ATOM 915 N ALA A 56 1.070 -0.072 0.133 1.00 51.33 N ATOM 916 CA ALA A 56 -0.008 -1.047 0.263 1.00 2.11 C ATOM 917 C ALA A 56 -0.679 -1.438 -1.063 1.00 22.23 C ATOM 918 O ALA A 56 -0.935 -2.614 -1.301 1.00 75.11 O ATOM 919 CB ALA A 56 -1.040 -0.519 1.241 1.00 61.03 C ATOM 0 H ALA A 56 0.784 0.885 0.339 1.00 51.33 H new ATOM 0 HA ALA A 56 0.448 -1.965 0.633 1.00 2.11 H new ATOM 0 HB1 ALA A 56 -1.849 -1.243 1.343 1.00 61.03 H new ATOM 0 HB2 ALA A 56 -0.572 -0.359 2.212 1.00 61.03 H new ATOM 0 HB3 ALA A 56 -1.442 0.424 0.872 1.00 61.03 H new ATOM 925 N ARG A 57 -0.997 -0.437 -1.906 1.00 41.45 N ATOM 926 CA ARG A 57 -1.810 -0.671 -3.116 1.00 1.14 C ATOM 927 C ARG A 57 -1.001 -1.316 -4.254 1.00 32.30 C ATOM 928 O ARG A 57 -1.572 -1.952 -5.137 1.00 52.10 O ATOM 929 CB ARG A 57 -2.555 0.614 -3.580 1.00 74.12 C ATOM 930 CG ARG A 57 -1.812 1.548 -4.549 1.00 64.45 C ATOM 931 CD ARG A 57 -0.711 2.365 -3.881 1.00 30.15 C ATOM 932 NE ARG A 57 -0.949 3.801 -4.040 1.00 52.23 N ATOM 933 CZ ARG A 57 -0.288 4.602 -4.881 1.00 32.41 C ATOM 934 NH1 ARG A 57 0.674 4.134 -5.675 1.00 30.11 N ATOM 935 NH2 ARG A 57 -0.603 5.888 -4.916 1.00 24.14 N ATOM 0 H ARG A 57 -0.707 0.532 -1.774 1.00 41.45 H new ATOM 0 HA ARG A 57 -2.576 -1.394 -2.836 1.00 1.14 H new ATOM 0 HB2 ARG A 57 -3.489 0.310 -4.053 1.00 74.12 H new ATOM 0 HB3 ARG A 57 -2.820 1.189 -2.693 1.00 74.12 H new ATOM 0 HG2 ARG A 57 -1.376 0.954 -5.352 1.00 64.45 H new ATOM 0 HG3 ARG A 57 -2.530 2.227 -5.009 1.00 64.45 H new ATOM 0 HD2 ARG A 57 -0.662 2.117 -2.821 1.00 30.15 H new ATOM 0 HD3 ARG A 57 0.254 2.103 -4.315 1.00 30.15 H new ATOM 0 HE ARG A 57 -1.677 4.223 -3.463 1.00 52.23 H new ATOM 0 HH11 ARG A 57 0.920 3.144 -5.649 1.00 30.11 H new ATOM 0 HH12 ARG A 57 1.164 4.765 -6.309 1.00 30.11 H new ATOM 0 HH21 ARG A 57 -1.338 6.250 -4.308 1.00 24.14 H new ATOM 0 HH22 ARG A 57 -0.111 6.517 -5.551 1.00 24.14 H new ATOM 949 N ASP A 58 0.323 -1.138 -4.228 1.00 3.42 N ATOM 950 CA ASP A 58 1.215 -1.723 -5.234 1.00 61.35 C ATOM 951 C ASP A 58 1.387 -3.233 -4.977 1.00 73.53 C ATOM 952 O ASP A 58 1.602 -4.030 -5.895 1.00 44.03 O ATOM 953 CB ASP A 58 2.564 -0.997 -5.211 1.00 1.44 C ATOM 954 CG ASP A 58 3.348 -1.199 -6.491 1.00 55.24 C ATOM 955 OD1 ASP A 58 2.967 -0.583 -7.505 1.00 32.14 O ATOM 956 OD2 ASP A 58 4.332 -1.967 -6.489 1.00 23.13 O ATOM 0 H ASP A 58 0.804 -0.589 -3.515 1.00 3.42 H new ATOM 0 HA ASP A 58 0.777 -1.601 -6.225 1.00 61.35 H new ATOM 0 HB2 ASP A 58 2.398 0.069 -5.054 1.00 1.44 H new ATOM 0 HB3 ASP A 58 3.153 -1.356 -4.367 1.00 1.44 H new ATOM 961 N ALA A 59 1.226 -3.605 -3.703 1.00 51.53 N ATOM 962 CA ALA A 59 1.259 -4.995 -3.241 1.00 55.01 C ATOM 963 C ALA A 59 0.075 -5.816 -3.760 1.00 73.21 C ATOM 964 O ALA A 59 0.178 -7.040 -3.875 1.00 62.43 O ATOM 965 CB ALA A 59 1.283 -5.035 -1.719 1.00 75.51 C ATOM 0 H ALA A 59 1.066 -2.935 -2.950 1.00 51.53 H new ATOM 0 HA ALA A 59 2.167 -5.445 -3.643 1.00 55.01 H new ATOM 0 HB1 ALA A 59 1.307 -6.072 -1.383 1.00 75.51 H new ATOM 0 HB2 ALA A 59 2.169 -4.514 -1.355 1.00 75.51 H new ATOM 0 HB3 ALA A 59 0.390 -4.548 -1.328 1.00 75.51 H new ATOM 971 N ALA A 60 -1.047 -5.127 -4.034 1.00 11.22 N ATOM 972 CA ALA A 60 -2.344 -5.753 -4.359 1.00 53.53 C ATOM 973 C ALA A 60 -2.323 -6.669 -5.607 1.00 4.53 C ATOM 974 O ALA A 60 -3.078 -7.635 -5.662 1.00 22.03 O ATOM 975 CB ALA A 60 -3.414 -4.679 -4.526 1.00 14.13 C ATOM 0 H ALA A 60 -1.080 -4.108 -4.036 1.00 11.22 H new ATOM 0 HA ALA A 60 -2.575 -6.404 -3.516 1.00 53.53 H new ATOM 0 HB1 ALA A 60 -4.368 -5.150 -4.766 1.00 14.13 H new ATOM 0 HB2 ALA A 60 -3.511 -4.115 -3.599 1.00 14.13 H new ATOM 0 HB3 ALA A 60 -3.129 -4.004 -5.333 1.00 14.13 H new ATOM 981 N ASP A 61 -1.457 -6.360 -6.585 1.00 74.10 N ATOM 982 CA ASP A 61 -1.281 -7.186 -7.805 1.00 60.34 C ATOM 983 C ASP A 61 -0.647 -8.550 -7.496 1.00 1.23 C ATOM 984 O ASP A 61 -1.079 -9.600 -7.981 1.00 10.03 O ATOM 985 CB ASP A 61 -0.415 -6.436 -8.820 1.00 24.32 C ATOM 986 CG ASP A 61 -1.209 -5.998 -10.029 1.00 44.24 C ATOM 987 OD1 ASP A 61 -1.812 -4.906 -9.988 1.00 54.21 O ATOM 988 OD2 ASP A 61 -1.230 -6.752 -11.024 1.00 63.40 O ATOM 0 H ASP A 61 -0.858 -5.535 -6.559 1.00 74.10 H new ATOM 0 HA ASP A 61 -2.272 -7.369 -8.220 1.00 60.34 H new ATOM 0 HB2 ASP A 61 0.029 -5.563 -8.342 1.00 24.32 H new ATOM 0 HB3 ASP A 61 0.407 -7.077 -9.139 1.00 24.32 H new ATOM 993 N ALA A 62 0.368 -8.531 -6.673 1.00 4.31 N ATOM 994 CA ALA A 62 1.052 -9.742 -6.286 1.00 33.22 C ATOM 995 C ALA A 62 0.234 -10.544 -5.243 1.00 31.24 C ATOM 996 O ALA A 62 0.214 -11.797 -5.219 1.00 10.20 O ATOM 997 CB ALA A 62 2.420 -9.352 -5.805 1.00 75.20 C ATOM 0 H ALA A 62 0.744 -7.681 -6.252 1.00 4.31 H new ATOM 0 HA ALA A 62 1.158 -10.420 -7.133 1.00 33.22 H new ATOM 0 HB1 ALA A 62 2.968 -10.245 -5.503 1.00 75.20 H new ATOM 0 HB2 ALA A 62 2.959 -8.850 -6.609 1.00 75.20 H new ATOM 0 HB3 ALA A 62 2.328 -8.678 -4.954 1.00 75.20 H new ATOM 1003 N ILE A 63 -0.514 -9.819 -4.417 1.00 54.22 N ATOM 1004 CA ILE A 63 -1.405 -10.451 -3.484 1.00 1.10 C ATOM 1005 C ILE A 63 -2.590 -11.084 -4.243 1.00 11.35 C ATOM 1006 O ILE A 63 -3.089 -12.081 -3.796 1.00 34.31 O ATOM 1007 CB ILE A 63 -1.819 -9.500 -2.303 1.00 73.25 C ATOM 1008 CG1 ILE A 63 -1.779 -10.257 -0.948 1.00 3.31 C ATOM 1009 CG2 ILE A 63 -3.176 -8.817 -2.506 1.00 0.21 C ATOM 1010 CD1 ILE A 63 -2.892 -11.267 -0.702 1.00 61.44 C ATOM 0 H ILE A 63 -0.513 -8.800 -4.384 1.00 54.22 H new ATOM 0 HA ILE A 63 -0.878 -11.264 -2.984 1.00 1.10 H new ATOM 0 HB ILE A 63 -1.080 -8.699 -2.289 1.00 73.25 H new ATOM 0 HG12 ILE A 63 -0.824 -10.777 -0.876 1.00 3.31 H new ATOM 0 HG13 ILE A 63 -1.803 -9.521 -0.145 1.00 3.31 H new ATOM 0 HG21 ILE A 63 -3.393 -8.177 -1.651 1.00 0.21 H new ATOM 0 HG22 ILE A 63 -3.147 -8.213 -3.413 1.00 0.21 H new ATOM 0 HG23 ILE A 63 -3.954 -9.574 -2.599 1.00 0.21 H new ATOM 0 HD11 ILE A 63 -2.755 -11.729 0.276 1.00 61.44 H new ATOM 0 HD12 ILE A 63 -3.856 -10.760 -0.732 1.00 61.44 H new ATOM 0 HD13 ILE A 63 -2.863 -12.036 -1.474 1.00 61.44 H new ATOM 1022 N LYS A 64 -3.021 -10.524 -5.393 1.00 32.24 N ATOM 1023 CA LYS A 64 -4.001 -11.221 -6.245 1.00 53.34 C ATOM 1024 C LYS A 64 -3.339 -12.344 -7.067 1.00 61.24 C ATOM 1025 O LYS A 64 -4.029 -13.257 -7.538 1.00 63.10 O ATOM 1026 CB LYS A 64 -4.879 -10.266 -7.109 1.00 51.13 C ATOM 1027 CG LYS A 64 -4.156 -9.482 -8.196 1.00 0.43 C ATOM 1028 CD LYS A 64 -4.261 -10.132 -9.585 1.00 0.20 C ATOM 1029 CE LYS A 64 -3.336 -9.459 -10.596 1.00 41.54 C ATOM 1030 NZ LYS A 64 -3.335 -10.159 -11.909 1.00 3.45 N ATOM 0 H LYS A 64 -2.715 -9.617 -5.744 1.00 32.24 H new ATOM 0 HA LYS A 64 -4.709 -11.697 -5.566 1.00 53.34 H new ATOM 0 HB2 LYS A 64 -5.666 -10.856 -7.579 1.00 51.13 H new ATOM 0 HB3 LYS A 64 -5.368 -9.555 -6.443 1.00 51.13 H new ATOM 0 HG2 LYS A 64 -4.568 -8.474 -8.242 1.00 0.43 H new ATOM 0 HG3 LYS A 64 -3.104 -9.385 -7.926 1.00 0.43 H new ATOM 0 HD2 LYS A 64 -4.011 -11.190 -9.511 1.00 0.20 H new ATOM 0 HD3 LYS A 64 -5.291 -10.072 -9.938 1.00 0.20 H new ATOM 0 HE2 LYS A 64 -3.647 -8.424 -10.738 1.00 41.54 H new ATOM 0 HE3 LYS A 64 -2.322 -9.435 -10.198 1.00 41.54 H new ATOM 0 HZ1 LYS A 64 -2.694 -9.668 -12.564 1.00 3.45 H new ATOM 0 HZ2 LYS A 64 -3.013 -11.139 -11.779 1.00 3.45 H new ATOM 0 HZ3 LYS A 64 -4.298 -10.160 -12.303 1.00 3.45 H new ATOM 1044 N GLU A 65 -2.008 -12.281 -7.260 1.00 5.44 N ATOM 1045 CA GLU A 65 -1.296 -13.427 -7.842 1.00 52.52 C ATOM 1046 C GLU A 65 -1.222 -14.628 -6.844 1.00 61.14 C ATOM 1047 O GLU A 65 -1.163 -15.774 -7.304 1.00 74.45 O ATOM 1048 CB GLU A 65 0.089 -13.022 -8.466 1.00 65.30 C ATOM 1049 CG GLU A 65 1.363 -13.230 -7.625 1.00 33.42 C ATOM 1050 CD GLU A 65 2.120 -14.502 -7.951 1.00 51.54 C ATOM 1051 OE1 GLU A 65 2.758 -14.550 -9.027 1.00 21.11 O ATOM 1052 OE2 GLU A 65 2.082 -15.448 -7.133 1.00 73.40 O ATOM 0 H GLU A 65 -1.423 -11.477 -7.030 1.00 5.44 H new ATOM 0 HA GLU A 65 -1.884 -13.784 -8.687 1.00 52.52 H new ATOM 0 HB2 GLU A 65 0.210 -13.580 -9.395 1.00 65.30 H new ATOM 0 HB3 GLU A 65 0.036 -11.966 -8.733 1.00 65.30 H new ATOM 0 HG2 GLU A 65 2.026 -12.378 -7.773 1.00 33.42 H new ATOM 0 HG3 GLU A 65 1.091 -13.243 -6.570 1.00 33.42 H new ATOM 1059 N LYS A 66 -1.254 -14.421 -5.490 1.00 52.34 N ATOM 1060 CA LYS A 66 -1.501 -15.624 -4.610 1.00 10.21 C ATOM 1061 C LYS A 66 -2.853 -15.640 -3.813 1.00 44.10 C ATOM 1062 O LYS A 66 -3.017 -16.455 -2.893 1.00 53.24 O ATOM 1063 CB LYS A 66 -0.300 -15.985 -3.691 1.00 31.12 C ATOM 1064 CG LYS A 66 -0.002 -15.070 -2.495 1.00 4.25 C ATOM 1065 CD LYS A 66 0.741 -13.803 -2.848 1.00 71.23 C ATOM 1066 CE LYS A 66 2.143 -14.069 -3.370 1.00 33.32 C ATOM 1067 NZ LYS A 66 3.050 -14.652 -2.343 1.00 63.15 N ATOM 0 H LYS A 66 -1.127 -13.528 -5.014 1.00 52.34 H new ATOM 0 HA LYS A 66 -1.608 -16.417 -5.350 1.00 10.21 H new ATOM 0 HB2 LYS A 66 -0.465 -16.992 -3.307 1.00 31.12 H new ATOM 0 HB3 LYS A 66 0.595 -16.023 -4.312 1.00 31.12 H new ATOM 0 HG2 LYS A 66 -0.943 -14.803 -2.014 1.00 4.25 H new ATOM 0 HG3 LYS A 66 0.583 -15.628 -1.763 1.00 4.25 H new ATOM 0 HD2 LYS A 66 0.176 -13.254 -3.601 1.00 71.23 H new ATOM 0 HD3 LYS A 66 0.801 -13.165 -1.966 1.00 71.23 H new ATOM 0 HE2 LYS A 66 2.084 -14.748 -4.221 1.00 33.32 H new ATOM 0 HE3 LYS A 66 2.571 -13.136 -3.736 1.00 33.32 H new ATOM 0 HZ1 LYS A 66 4.003 -14.250 -2.453 1.00 63.15 H new ATOM 0 HZ2 LYS A 66 2.688 -14.430 -1.394 1.00 63.15 H new ATOM 0 HZ3 LYS A 66 3.093 -15.684 -2.464 1.00 63.15 H new ATOM 1081 N ASP A 67 -3.800 -14.763 -4.157 1.00 72.43 N ATOM 1082 CA ASP A 67 -5.175 -14.740 -3.564 1.00 0.41 C ATOM 1083 C ASP A 67 -6.050 -15.897 -4.063 1.00 10.23 C ATOM 1084 O ASP A 67 -5.777 -16.469 -5.125 1.00 11.02 O ATOM 1085 CB ASP A 67 -5.891 -13.377 -3.702 1.00 43.43 C ATOM 1086 CG ASP A 67 -7.007 -13.311 -4.754 1.00 11.33 C ATOM 1087 OD1 ASP A 67 -6.706 -13.143 -5.953 1.00 63.13 O ATOM 1088 OD2 ASP A 67 -8.200 -13.392 -4.374 1.00 61.40 O ATOM 0 H ASP A 67 -3.651 -14.037 -4.858 1.00 72.43 H new ATOM 0 HA ASP A 67 -5.023 -14.888 -2.495 1.00 0.41 H new ATOM 0 HB2 ASP A 67 -6.315 -13.111 -2.734 1.00 43.43 H new ATOM 0 HB3 ASP A 67 -5.145 -12.619 -3.943 1.00 43.43 H new ATOM 1093 N GLY A 68 -7.102 -16.251 -3.304 1.00 53.25 N ATOM 1094 CA GLY A 68 -7.707 -17.550 -3.463 1.00 5.21 C ATOM 1095 C GLY A 68 -7.492 -18.414 -2.244 1.00 72.05 C ATOM 1096 O GLY A 68 -7.463 -19.641 -2.345 1.00 44.41 O ATOM 0 H GLY A 68 -7.531 -15.658 -2.594 1.00 53.25 H new ATOM 0 HA2 GLY A 68 -8.776 -17.435 -3.645 1.00 5.21 H new ATOM 0 HA3 GLY A 68 -7.286 -18.044 -4.339 1.00 5.21 H new ATOM 1100 N CYS A 69 -7.285 -17.727 -1.098 1.00 32.11 N ATOM 1101 CA CYS A 69 -6.815 -18.341 0.141 1.00 15.01 C ATOM 1102 C CYS A 69 -7.740 -19.463 0.619 1.00 40.14 C ATOM 1103 O CYS A 69 -8.973 -19.331 0.672 1.00 30.01 O ATOM 1104 CB CYS A 69 -6.699 -17.245 1.215 1.00 23.33 C ATOM 1105 SG CYS A 69 -8.151 -16.174 1.352 1.00 74.31 S ATOM 0 H CYS A 69 -7.444 -16.723 -1.018 1.00 32.11 H new ATOM 0 HA CYS A 69 -5.843 -18.798 -0.044 1.00 15.01 H new ATOM 0 HB2 CYS A 69 -6.519 -17.718 2.181 1.00 23.33 H new ATOM 0 HB3 CYS A 69 -5.828 -16.628 0.995 1.00 23.33 H new ATOM 0 HG CYS A 69 -7.952 -15.290 2.284 1.00 74.31 H new ATOM 1111 N ASP A 70 -7.094 -20.576 0.957 1.00 72.45 N ATOM 1112 CA ASP A 70 -7.784 -21.826 1.166 1.00 51.14 C ATOM 1113 C ASP A 70 -7.324 -22.539 2.436 1.00 21.35 C ATOM 1114 O ASP A 70 -6.132 -22.453 2.843 1.00 71.24 O ATOM 1115 CB ASP A 70 -7.599 -22.712 -0.060 1.00 73.13 C ATOM 1116 CG ASP A 70 -8.914 -23.286 -0.571 1.00 21.13 C ATOM 1117 OD1 ASP A 70 -9.775 -23.649 0.260 1.00 10.53 O ATOM 1118 OD2 ASP A 70 -9.082 -23.378 -1.807 1.00 71.42 O ATOM 0 H ASP A 70 -6.084 -20.627 1.091 1.00 72.45 H new ATOM 0 HA ASP A 70 -8.844 -21.612 1.305 1.00 51.14 H new ATOM 0 HB2 ASP A 70 -7.126 -22.134 -0.854 1.00 73.13 H new ATOM 0 HB3 ASP A 70 -6.921 -23.529 0.186 1.00 73.13 H new ATOM 1123 N PHE A 71 -8.297 -23.272 3.001 1.00 5.21 N ATOM 1124 CA PHE A 71 -8.201 -23.993 4.264 1.00 51.32 C ATOM 1125 C PHE A 71 -9.000 -25.326 4.163 1.00 54.03 C ATOM 1126 O PHE A 71 -9.996 -25.372 3.427 1.00 64.31 O ATOM 1127 CB PHE A 71 -8.697 -23.129 5.441 1.00 22.45 C ATOM 1128 CG PHE A 71 -8.276 -23.654 6.798 1.00 41.12 C ATOM 1129 CD1 PHE A 71 -6.931 -23.732 7.142 1.00 2.21 C ATOM 1130 CD2 PHE A 71 -9.222 -24.068 7.725 1.00 34.34 C ATOM 1131 CE1 PHE A 71 -6.543 -24.217 8.375 1.00 24.01 C ATOM 1132 CE2 PHE A 71 -8.835 -24.555 8.963 1.00 51.22 C ATOM 1133 CZ PHE A 71 -7.493 -24.626 9.288 1.00 61.21 C ATOM 0 H PHE A 71 -9.212 -23.378 2.563 1.00 5.21 H new ATOM 0 HA PHE A 71 -7.154 -24.224 4.459 1.00 51.32 H new ATOM 0 HB2 PHE A 71 -8.319 -22.114 5.320 1.00 22.45 H new ATOM 0 HB3 PHE A 71 -9.785 -23.071 5.405 1.00 22.45 H new ATOM 0 HD1 PHE A 71 -6.180 -23.409 6.436 1.00 2.21 H new ATOM 0 HD2 PHE A 71 -10.272 -24.010 7.479 1.00 34.34 H new ATOM 0 HE1 PHE A 71 -5.494 -24.276 8.625 1.00 24.01 H new ATOM 0 HE2 PHE A 71 -9.581 -24.879 9.674 1.00 51.22 H new ATOM 0 HZ PHE A 71 -7.189 -25.001 10.254 1.00 61.21 H new ATOM 1143 N GLU A 72 -8.517 -26.399 4.851 1.00 2.33 N ATOM 1144 CA GLU A 72 -9.154 -27.756 4.873 1.00 72.54 C ATOM 1145 C GLU A 72 -8.947 -28.566 3.584 1.00 63.35 C ATOM 1146 O GLU A 72 -9.861 -28.786 2.786 1.00 64.20 O ATOM 1147 CB GLU A 72 -10.648 -27.745 5.275 1.00 32.24 C ATOM 1148 CG GLU A 72 -10.913 -27.236 6.690 1.00 2.13 C ATOM 1149 CD GLU A 72 -12.376 -27.324 7.081 1.00 21.15 C ATOM 1150 OE1 GLU A 72 -13.141 -26.409 6.709 1.00 61.24 O ATOM 1151 OE2 GLU A 72 -12.757 -28.297 7.771 1.00 23.22 O ATOM 0 H GLU A 72 -7.667 -26.350 5.412 1.00 2.33 H new ATOM 0 HA GLU A 72 -8.612 -28.270 5.666 1.00 72.54 H new ATOM 0 HB2 GLU A 72 -11.198 -27.123 4.569 1.00 32.24 H new ATOM 0 HB3 GLU A 72 -11.044 -28.756 5.185 1.00 32.24 H new ATOM 0 HG2 GLU A 72 -10.317 -27.814 7.397 1.00 2.13 H new ATOM 0 HG3 GLU A 72 -10.583 -26.200 6.767 1.00 2.13 H new ATOM 1158 N GLY A 73 -7.678 -28.921 3.374 1.00 44.21 N ATOM 1159 CA GLY A 73 -7.263 -29.807 2.285 1.00 31.53 C ATOM 1160 C GLY A 73 -6.680 -29.076 1.089 1.00 64.23 C ATOM 1161 O GLY A 73 -6.062 -29.695 0.223 1.00 72.34 O ATOM 0 H GLY A 73 -6.905 -28.600 3.958 1.00 44.21 H new ATOM 0 HA2 GLY A 73 -6.523 -30.512 2.664 1.00 31.53 H new ATOM 0 HA3 GLY A 73 -8.122 -30.392 1.958 1.00 31.53 H new ATOM 1165 N ASN A 74 -6.841 -27.765 1.068 1.00 35.12 N ATOM 1166 CA ASN A 74 -5.967 -26.896 0.300 1.00 4.31 C ATOM 1167 C ASN A 74 -5.310 -25.977 1.311 1.00 52.43 C ATOM 1168 O ASN A 74 -5.996 -25.332 2.084 1.00 31.33 O ATOM 1169 CB ASN A 74 -6.744 -26.067 -0.735 1.00 13.11 C ATOM 1170 CG ASN A 74 -7.124 -26.797 -2.019 1.00 51.24 C ATOM 1171 OD1 ASN A 74 -7.241 -28.020 -2.068 1.00 13.22 O ATOM 1172 ND2 ASN A 74 -7.353 -26.021 -3.070 1.00 21.11 N ATOM 0 H ASN A 74 -7.576 -27.275 1.579 1.00 35.12 H new ATOM 0 HA ASN A 74 -5.242 -27.485 -0.262 1.00 4.31 H new ATOM 0 HB2 ASN A 74 -7.656 -25.697 -0.266 1.00 13.11 H new ATOM 0 HB3 ASN A 74 -6.145 -25.195 -0.998 1.00 13.11 H new ATOM 0 HD21 ASN A 74 -7.637 -26.435 -3.958 1.00 21.11 H new ATOM 0 HD22 ASN A 74 -7.245 -25.010 -2.990 1.00 21.11 H new ATOM 1179 N LYS A 75 -4.001 -26.023 1.391 1.00 41.42 N ATOM 1180 CA LYS A 75 -3.260 -25.181 2.321 1.00 34.33 C ATOM 1181 C LYS A 75 -2.693 -23.946 1.617 1.00 23.31 C ATOM 1182 O LYS A 75 -1.697 -24.071 0.902 1.00 4.12 O ATOM 1183 CB LYS A 75 -2.161 -26.024 2.992 1.00 3.40 C ATOM 1184 CG LYS A 75 -2.337 -26.239 4.510 1.00 50.23 C ATOM 1185 CD LYS A 75 -3.719 -26.789 4.918 1.00 75.52 C ATOM 1186 CE LYS A 75 -3.960 -28.227 4.462 1.00 64.01 C ATOM 1187 NZ LYS A 75 -3.103 -29.213 5.172 1.00 43.33 N ATOM 0 H LYS A 75 -3.417 -26.637 0.822 1.00 41.42 H new ATOM 0 HA LYS A 75 -3.932 -24.809 3.094 1.00 34.33 H new ATOM 0 HB2 LYS A 75 -2.123 -26.998 2.505 1.00 3.40 H new ATOM 0 HB3 LYS A 75 -1.198 -25.543 2.818 1.00 3.40 H new ATOM 0 HG2 LYS A 75 -1.568 -26.928 4.859 1.00 50.23 H new ATOM 0 HG3 LYS A 75 -2.171 -25.291 5.021 1.00 50.23 H new ATOM 0 HD2 LYS A 75 -3.816 -26.739 6.003 1.00 75.52 H new ATOM 0 HD3 LYS A 75 -4.495 -26.148 4.499 1.00 75.52 H new ATOM 0 HE2 LYS A 75 -5.007 -28.482 4.622 1.00 64.01 H new ATOM 0 HE3 LYS A 75 -3.775 -28.298 3.390 1.00 64.01 H new ATOM 0 HZ1 LYS A 75 -3.346 -30.174 4.858 1.00 43.33 H new ATOM 0 HZ2 LYS A 75 -2.103 -29.022 4.958 1.00 43.33 H new ATOM 0 HZ3 LYS A 75 -3.259 -29.134 6.197 1.00 43.33 H new ATOM 1201 N LEU A 76 -3.317 -22.760 1.809 1.00 20.22 N ATOM 1202 CA LEU A 76 -2.808 -21.517 1.164 1.00 61.32 C ATOM 1203 C LEU A 76 -3.494 -20.270 1.737 1.00 4.54 C ATOM 1204 O LEU A 76 -4.321 -19.677 1.073 1.00 62.05 O ATOM 1205 CB LEU A 76 -3.044 -21.579 -0.380 1.00 34.24 C ATOM 1206 CG LEU A 76 -2.450 -20.446 -1.241 1.00 24.42 C ATOM 1207 CD1 LEU A 76 -0.984 -20.690 -1.552 1.00 71.22 C ATOM 1208 CD2 LEU A 76 -3.250 -20.278 -2.522 1.00 71.14 C ATOM 0 H LEU A 76 -4.148 -22.633 2.386 1.00 20.22 H new ATOM 0 HA LEU A 76 -1.740 -21.448 1.370 1.00 61.32 H new ATOM 0 HB2 LEU A 76 -2.640 -22.524 -0.744 1.00 34.24 H new ATOM 0 HB3 LEU A 76 -4.120 -21.604 -0.554 1.00 34.24 H new ATOM 0 HG LEU A 76 -2.513 -19.523 -0.665 1.00 24.42 H new ATOM 0 HD11 LEU A 76 -0.600 -19.871 -2.160 1.00 71.22 H new ATOM 0 HD12 LEU A 76 -0.419 -20.747 -0.621 1.00 71.22 H new ATOM 0 HD13 LEU A 76 -0.879 -21.628 -2.098 1.00 71.22 H new ATOM 0 HD21 LEU A 76 -2.818 -19.474 -3.118 1.00 71.14 H new ATOM 0 HD22 LEU A 76 -3.224 -21.207 -3.092 1.00 71.14 H new ATOM 0 HD23 LEU A 76 -4.283 -20.032 -2.276 1.00 71.14 H new ATOM 1220 N ARG A 77 -3.177 -19.836 2.957 1.00 5.44 N ATOM 1221 CA ARG A 77 -3.915 -18.703 3.507 1.00 55.21 C ATOM 1222 C ARG A 77 -3.087 -17.423 3.310 1.00 42.21 C ATOM 1223 O ARG A 77 -2.054 -17.260 3.910 1.00 14.33 O ATOM 1224 CB ARG A 77 -4.239 -19.005 4.990 1.00 65.03 C ATOM 1225 CG ARG A 77 -5.193 -18.053 5.708 1.00 15.22 C ATOM 1226 CD ARG A 77 -4.490 -16.802 6.244 1.00 70.12 C ATOM 1227 NE ARG A 77 -5.370 -15.986 7.085 1.00 73.14 N ATOM 1228 CZ ARG A 77 -6.354 -15.191 6.631 1.00 41.41 C ATOM 1229 NH1 ARG A 77 -6.621 -15.098 5.319 1.00 20.42 N ATOM 1230 NH2 ARG A 77 -7.079 -14.478 7.492 1.00 41.04 N ATOM 0 H ARG A 77 -2.451 -20.229 3.557 1.00 5.44 H new ATOM 0 HA ARG A 77 -4.863 -18.546 2.992 1.00 55.21 H new ATOM 0 HB2 ARG A 77 -4.660 -20.009 5.045 1.00 65.03 H new ATOM 0 HB3 ARG A 77 -3.300 -19.022 5.543 1.00 65.03 H new ATOM 0 HG2 ARG A 77 -5.985 -17.753 5.022 1.00 15.22 H new ATOM 0 HG3 ARG A 77 -5.670 -18.579 6.535 1.00 15.22 H new ATOM 0 HD2 ARG A 77 -3.614 -17.099 6.820 1.00 70.12 H new ATOM 0 HD3 ARG A 77 -4.133 -16.202 5.407 1.00 70.12 H new ATOM 0 HE ARG A 77 -5.224 -16.024 8.094 1.00 73.14 H new ATOM 0 HH11 ARG A 77 -6.073 -15.636 4.648 1.00 20.42 H new ATOM 0 HH12 ARG A 77 -7.372 -14.489 4.993 1.00 20.42 H new ATOM 0 HH21 ARG A 77 -6.886 -14.537 8.492 1.00 41.04 H new ATOM 0 HH22 ARG A 77 -7.827 -13.874 7.151 1.00 41.04 H new ATOM 1244 N VAL A 78 -3.511 -16.538 2.416 1.00 34.14 N ATOM 1245 CA VAL A 78 -2.817 -15.253 2.220 1.00 11.34 C ATOM 1246 C VAL A 78 -3.838 -14.120 2.187 1.00 0.43 C ATOM 1247 O VAL A 78 -4.788 -14.197 1.397 1.00 34.50 O ATOM 1248 CB VAL A 78 -1.991 -15.186 0.893 1.00 22.13 C ATOM 1249 CG1 VAL A 78 -0.866 -14.155 1.017 1.00 41.11 C ATOM 1250 CG2 VAL A 78 -1.431 -16.547 0.473 1.00 31.42 C ATOM 0 H VAL A 78 -4.324 -16.676 1.816 1.00 34.14 H new ATOM 0 HA VAL A 78 -2.123 -15.155 3.055 1.00 11.34 H new ATOM 0 HB VAL A 78 -2.679 -14.875 0.107 1.00 22.13 H new ATOM 0 HG11 VAL A 78 -0.300 -14.120 0.086 1.00 41.11 H new ATOM 0 HG12 VAL A 78 -1.293 -13.173 1.219 1.00 41.11 H new ATOM 0 HG13 VAL A 78 -0.202 -14.437 1.834 1.00 41.11 H new ATOM 0 HG21 VAL A 78 -0.868 -16.438 -0.454 1.00 31.42 H new ATOM 0 HG22 VAL A 78 -0.774 -16.927 1.255 1.00 31.42 H new ATOM 0 HG23 VAL A 78 -2.253 -17.246 0.318 1.00 31.42 H new ATOM 1260 N GLU A 79 -3.680 -13.086 3.026 1.00 73.41 N ATOM 1261 CA GLU A 79 -4.506 -11.890 2.853 1.00 65.20 C ATOM 1262 C GLU A 79 -3.814 -10.615 3.309 1.00 72.43 C ATOM 1263 O GLU A 79 -2.782 -10.624 4.031 1.00 75.40 O ATOM 1264 CB GLU A 79 -5.887 -11.997 3.538 1.00 23.33 C ATOM 1265 CG GLU A 79 -5.893 -11.821 5.055 1.00 71.22 C ATOM 1266 CD GLU A 79 -7.296 -11.627 5.602 1.00 53.11 C ATOM 1267 OE1 GLU A 79 -8.160 -12.503 5.353 1.00 32.22 O ATOM 1268 OE2 GLU A 79 -7.534 -10.615 6.289 1.00 73.24 O ATOM 0 H GLU A 79 -3.016 -13.053 3.800 1.00 73.41 H new ATOM 0 HA GLU A 79 -4.663 -11.830 1.776 1.00 65.20 H new ATOM 0 HB2 GLU A 79 -6.547 -11.247 3.102 1.00 23.33 H new ATOM 0 HB3 GLU A 79 -6.313 -12.972 3.303 1.00 23.33 H new ATOM 0 HG2 GLU A 79 -5.440 -12.695 5.523 1.00 71.22 H new ATOM 0 HG3 GLU A 79 -5.278 -10.962 5.322 1.00 71.22 H new ATOM 1275 N VAL A 80 -4.405 -9.514 2.841 1.00 4.01 N ATOM 1276 CA VAL A 80 -4.136 -8.204 3.376 1.00 63.35 C ATOM 1277 C VAL A 80 -5.083 -7.944 4.582 1.00 63.44 C ATOM 1278 O VAL A 80 -6.302 -8.083 4.479 1.00 1.40 O ATOM 1279 CB VAL A 80 -4.294 -7.089 2.277 1.00 50.02 C ATOM 1280 CG1 VAL A 80 -3.315 -7.315 1.137 1.00 60.34 C ATOM 1281 CG2 VAL A 80 -5.704 -7.012 1.691 1.00 21.01 C ATOM 0 H VAL A 80 -5.083 -9.520 2.079 1.00 4.01 H new ATOM 0 HA VAL A 80 -3.101 -8.165 3.716 1.00 63.35 H new ATOM 0 HB VAL A 80 -4.087 -6.147 2.785 1.00 50.02 H new ATOM 0 HG11 VAL A 80 -3.441 -6.533 0.388 1.00 60.34 H new ATOM 0 HG12 VAL A 80 -2.296 -7.288 1.522 1.00 60.34 H new ATOM 0 HG13 VAL A 80 -3.505 -8.287 0.682 1.00 60.34 H new ATOM 0 HG21 VAL A 80 -5.743 -6.223 0.940 1.00 21.01 H new ATOM 0 HG22 VAL A 80 -5.959 -7.966 1.229 1.00 21.01 H new ATOM 0 HG23 VAL A 80 -6.417 -6.792 2.486 1.00 21.01 H new ATOM 1291 N PRO A 81 -4.534 -7.636 5.770 1.00 23.14 N ATOM 1292 CA PRO A 81 -5.339 -7.115 6.883 1.00 61.03 C ATOM 1293 C PRO A 81 -5.551 -5.587 6.841 1.00 52.52 C ATOM 1294 O PRO A 81 -6.043 -5.005 7.811 1.00 74.31 O ATOM 1295 CB PRO A 81 -4.534 -7.527 8.119 1.00 43.10 C ATOM 1296 CG PRO A 81 -3.122 -7.643 7.655 1.00 43.40 C ATOM 1297 CD PRO A 81 -3.159 -7.951 6.182 1.00 21.44 C ATOM 0 HA PRO A 81 -6.354 -7.512 6.859 1.00 61.03 H new ATOM 0 HB2 PRO A 81 -4.627 -6.785 8.913 1.00 43.10 H new ATOM 0 HB3 PRO A 81 -4.893 -8.473 8.524 1.00 43.10 H new ATOM 0 HG2 PRO A 81 -2.579 -6.716 7.840 1.00 43.40 H new ATOM 0 HG3 PRO A 81 -2.602 -8.431 8.200 1.00 43.40 H new ATOM 0 HD2 PRO A 81 -2.434 -7.350 5.633 1.00 21.44 H new ATOM 0 HD3 PRO A 81 -2.918 -8.996 5.990 1.00 21.44 H new ATOM 1305 N PHE A 82 -5.185 -4.937 5.726 1.00 1.04 N ATOM 1306 CA PHE A 82 -5.450 -3.506 5.572 1.00 71.23 C ATOM 1307 C PHE A 82 -6.660 -3.234 4.644 1.00 53.44 C ATOM 1308 O PHE A 82 -7.647 -2.631 5.082 1.00 3.50 O ATOM 1309 CB PHE A 82 -4.187 -2.702 5.126 1.00 34.20 C ATOM 1310 CG PHE A 82 -3.335 -3.266 3.995 1.00 64.13 C ATOM 1311 CD1 PHE A 82 -3.633 -3.006 2.661 1.00 75.20 C ATOM 1312 CD2 PHE A 82 -2.218 -4.026 4.275 1.00 34.31 C ATOM 1313 CE1 PHE A 82 -2.837 -3.490 1.651 1.00 31.14 C ATOM 1314 CE2 PHE A 82 -1.421 -4.516 3.261 1.00 4.30 C ATOM 1315 CZ PHE A 82 -1.727 -4.251 1.952 1.00 50.53 C ATOM 0 H PHE A 82 -4.714 -5.373 4.933 1.00 1.04 H new ATOM 0 HA PHE A 82 -5.715 -3.140 6.564 1.00 71.23 H new ATOM 0 HB2 PHE A 82 -4.514 -1.705 4.831 1.00 34.20 H new ATOM 0 HB3 PHE A 82 -3.544 -2.581 5.998 1.00 34.20 H new ATOM 0 HD1 PHE A 82 -4.503 -2.415 2.416 1.00 75.20 H new ATOM 0 HD2 PHE A 82 -1.964 -4.240 5.303 1.00 34.31 H new ATOM 0 HE1 PHE A 82 -3.081 -3.274 0.621 1.00 31.14 H new ATOM 0 HE2 PHE A 82 -0.552 -5.111 3.500 1.00 4.30 H new ATOM 0 HZ PHE A 82 -1.102 -4.636 1.160 1.00 50.53 H new ATOM 1325 N ASN A 83 -6.545 -3.685 3.373 1.00 41.33 N ATOM 1326 CA ASN A 83 -7.505 -3.434 2.265 1.00 0.24 C ATOM 1327 C ASN A 83 -7.787 -1.920 2.059 1.00 60.33 C ATOM 1328 O ASN A 83 -8.861 -1.537 1.589 1.00 61.02 O ATOM 1329 CB ASN A 83 -8.805 -4.229 2.489 1.00 0.12 C ATOM 1330 CG ASN A 83 -9.389 -4.783 1.192 1.00 10.34 C ATOM 1331 OD1 ASN A 83 -9.079 -5.897 0.781 1.00 73.15 O ATOM 1332 ND2 ASN A 83 -10.232 -4.004 0.538 1.00 14.33 N ATOM 0 H ASN A 83 -5.753 -4.255 3.077 1.00 41.33 H new ATOM 0 HA ASN A 83 -7.043 -3.786 1.343 1.00 0.24 H new ATOM 0 HB2 ASN A 83 -8.608 -5.053 3.175 1.00 0.12 H new ATOM 0 HB3 ASN A 83 -9.542 -3.584 2.968 1.00 0.12 H new ATOM 0 HD21 ASN A 83 -10.647 -4.323 -0.337 1.00 14.33 H new ATOM 0 HD22 ASN A 83 -10.468 -3.083 0.908 1.00 14.33 H new