USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=17 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 Single : A 8 SER OG : rot -23:sc= 0.255 USER MOD Single : A 11 TYR OH : rot -129:sc= 0.182 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -55:sc= 0.668 USER MOD Single : A 18 HIS : no HE2:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.00892 USER MOD Single : A 26 ASN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -139:sc= 0.0184 (180deg=0) USER MOD Single : A 31 TYR OH : rot -131:sc= 0.491 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 152:sc= 0.205 (180deg=0.0608) USER MOD Single : A 37 CYS SG : rot 22:sc= -0.904 USER MOD Single : A 40 LYS NZ :NH3+ -112:sc= 1.03 (180deg=-0.153) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0522 USER MOD Single : A 44 SER OG : rot -21:sc= 0.0444 USER MOD Single : A 64 LYS NZ :NH3+ 146:sc= 0.551 (180deg=0.128) USER MOD Single : A 66 LYS NZ :NH3+ -169:sc= 0.64 (180deg=0.561) USER MOD Single : A 69 CYS SG : rot 33:sc= 0.0263 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -155:sc= -0.0788 (180deg=-0.442) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 157 N SER A 8 1.873 -0.865 6.680 1.00 51.55 N ATOM 158 CA SER A 8 1.099 -1.908 6.009 1.00 43.42 C ATOM 159 C SER A 8 1.779 -3.285 6.092 1.00 3.41 C ATOM 160 O SER A 8 2.955 -3.432 5.753 1.00 12.01 O ATOM 161 CB SER A 8 0.803 -1.493 4.558 1.00 60.32 C ATOM 162 OG SER A 8 1.933 -0.921 3.909 1.00 3.51 O ATOM 0 HA SER A 8 0.150 -2.015 6.534 1.00 43.42 H new ATOM 0 HB2 SER A 8 0.469 -2.365 3.996 1.00 60.32 H new ATOM 0 HB3 SER A 8 -0.017 -0.775 4.550 1.00 60.32 H new ATOM 0 HG SER A 8 2.555 -0.572 4.582 1.00 3.51 H new ATOM 168 N ARG A 9 1.012 -4.286 6.550 1.00 43.30 N ATOM 169 CA ARG A 9 1.553 -5.613 6.858 1.00 62.42 C ATOM 170 C ARG A 9 0.701 -6.749 6.256 1.00 4.53 C ATOM 171 O ARG A 9 -0.499 -6.603 6.093 1.00 34.44 O ATOM 172 CB ARG A 9 1.670 -5.754 8.384 1.00 51.04 C ATOM 173 CG ARG A 9 0.334 -5.800 9.115 1.00 1.15 C ATOM 174 CD ARG A 9 0.356 -4.982 10.395 1.00 51.14 C ATOM 175 NE ARG A 9 -0.746 -5.350 11.288 1.00 31.33 N ATOM 176 CZ ARG A 9 -1.107 -4.649 12.365 1.00 45.14 C ATOM 177 NH1 ARG A 9 -0.464 -3.532 12.686 1.00 2.44 N ATOM 178 NH2 ARG A 9 -2.095 -5.084 13.143 1.00 63.43 N ATOM 0 H ARG A 9 0.009 -4.198 6.715 1.00 43.30 H new ATOM 0 HA ARG A 9 2.538 -5.703 6.401 1.00 62.42 H new ATOM 0 HB2 ARG A 9 2.226 -6.663 8.611 1.00 51.04 H new ATOM 0 HB3 ARG A 9 2.253 -4.918 8.770 1.00 51.04 H new ATOM 0 HG2 ARG A 9 -0.451 -5.425 8.459 1.00 1.15 H new ATOM 0 HG3 ARG A 9 0.085 -6.835 9.350 1.00 1.15 H new ATOM 0 HD2 ARG A 9 1.306 -5.132 10.907 1.00 51.14 H new ATOM 0 HD3 ARG A 9 0.289 -3.922 10.151 1.00 51.14 H new ATOM 0 HE ARG A 9 -1.272 -6.197 11.073 1.00 31.33 H new ATOM 0 HH11 ARG A 9 0.310 -3.205 12.108 1.00 2.44 H new ATOM 0 HH12 ARG A 9 -0.745 -3.001 13.510 1.00 2.44 H new ATOM 0 HH21 ARG A 9 -2.577 -5.954 12.917 1.00 63.43 H new ATOM 0 HH22 ARG A 9 -2.370 -4.548 13.966 1.00 63.43 H new ATOM 192 N ILE A 10 1.342 -7.878 5.933 1.00 33.44 N ATOM 193 CA ILE A 10 0.663 -9.044 5.335 1.00 51.44 C ATOM 194 C ILE A 10 0.789 -10.253 6.255 1.00 74.30 C ATOM 195 O ILE A 10 1.853 -10.448 6.875 1.00 13.21 O ATOM 196 CB ILE A 10 1.272 -9.440 3.956 1.00 24.14 C ATOM 197 CG1 ILE A 10 1.362 -8.237 3.024 1.00 51.43 C ATOM 198 CG2 ILE A 10 0.481 -10.578 3.291 1.00 61.55 C ATOM 199 CD1 ILE A 10 1.938 -8.562 1.666 1.00 42.24 C ATOM 0 H ILE A 10 2.343 -8.014 6.076 1.00 33.44 H new ATOM 0 HA ILE A 10 -0.379 -8.757 5.197 1.00 51.44 H new ATOM 0 HB ILE A 10 2.283 -9.802 4.146 1.00 24.14 H new ATOM 0 HG12 ILE A 10 0.366 -7.814 2.894 1.00 51.43 H new ATOM 0 HG13 ILE A 10 1.976 -7.469 3.495 1.00 51.43 H new ATOM 0 HG21 ILE A 10 0.936 -10.826 2.332 1.00 61.55 H new ATOM 0 HG22 ILE A 10 0.495 -11.456 3.937 1.00 61.55 H new ATOM 0 HG23 ILE A 10 -0.550 -10.260 3.132 1.00 61.55 H new ATOM 0 HD11 ILE A 10 1.971 -7.657 1.059 1.00 42.24 H new ATOM 0 HD12 ILE A 10 2.947 -8.957 1.784 1.00 42.24 H new ATOM 0 HD13 ILE A 10 1.312 -9.307 1.174 1.00 42.24 H new ATOM 211 N TYR A 11 -0.300 -11.055 6.315 1.00 34.01 N ATOM 212 CA TYR A 11 -0.323 -12.298 7.074 1.00 33.53 C ATOM 213 C TYR A 11 -0.407 -13.486 6.107 1.00 70.43 C ATOM 214 O TYR A 11 -1.404 -13.638 5.381 1.00 64.35 O ATOM 215 CB TYR A 11 -1.543 -12.279 8.007 1.00 34.40 C ATOM 216 CG TYR A 11 -1.498 -13.240 9.182 1.00 61.33 C ATOM 217 CD1 TYR A 11 -0.953 -12.842 10.397 1.00 51.15 C ATOM 218 CD2 TYR A 11 -2.032 -14.527 9.097 1.00 31.14 C ATOM 219 CE1 TYR A 11 -0.935 -13.691 11.487 1.00 71.02 C ATOM 220 CE2 TYR A 11 -2.022 -15.377 10.188 1.00 32.31 C ATOM 221 CZ TYR A 11 -1.472 -14.956 11.378 1.00 73.32 C ATOM 222 OH TYR A 11 -1.461 -15.799 12.464 1.00 2.21 O ATOM 0 H TYR A 11 -1.176 -10.848 5.836 1.00 34.01 H new ATOM 0 HA TYR A 11 0.586 -12.398 7.667 1.00 33.53 H new ATOM 0 HB2 TYR A 11 -1.663 -11.267 8.395 1.00 34.40 H new ATOM 0 HB3 TYR A 11 -2.431 -12.501 7.416 1.00 34.40 H new ATOM 0 HD1 TYR A 11 -0.536 -11.850 10.491 1.00 51.15 H new ATOM 0 HD2 TYR A 11 -2.460 -14.864 8.164 1.00 31.14 H new ATOM 0 HE1 TYR A 11 -0.502 -13.365 12.421 1.00 71.02 H new ATOM 0 HE2 TYR A 11 -2.444 -16.368 10.107 1.00 32.31 H new ATOM 0 HH TYR A 11 -1.081 -16.664 12.203 1.00 2.21 H new ATOM 232 N VAL A 12 0.644 -14.314 6.071 1.00 61.11 N ATOM 233 CA VAL A 12 0.599 -15.537 5.246 1.00 13.32 C ATOM 234 C VAL A 12 0.862 -16.808 6.088 1.00 14.13 C ATOM 235 O VAL A 12 1.977 -17.095 6.510 1.00 53.33 O ATOM 236 CB VAL A 12 1.528 -15.439 3.973 1.00 4.55 C ATOM 237 CG1 VAL A 12 2.931 -14.982 4.309 1.00 1.21 C ATOM 238 CG2 VAL A 12 1.591 -16.753 3.206 1.00 4.05 C ATOM 0 H VAL A 12 1.513 -14.171 6.585 1.00 61.11 H new ATOM 0 HA VAL A 12 -0.418 -15.626 4.863 1.00 13.32 H new ATOM 0 HB VAL A 12 1.067 -14.683 3.337 1.00 4.55 H new ATOM 0 HG11 VAL A 12 3.526 -14.933 3.397 1.00 1.21 H new ATOM 0 HG12 VAL A 12 2.892 -13.995 4.770 1.00 1.21 H new ATOM 0 HG13 VAL A 12 3.388 -15.689 5.002 1.00 1.21 H new ATOM 0 HG21 VAL A 12 2.241 -16.637 2.339 1.00 4.05 H new ATOM 0 HG22 VAL A 12 1.987 -17.534 3.855 1.00 4.05 H new ATOM 0 HG23 VAL A 12 0.590 -17.029 2.874 1.00 4.05 H new ATOM 248 N GLY A 13 -0.205 -17.578 6.293 1.00 75.43 N ATOM 249 CA GLY A 13 -0.139 -18.765 7.117 1.00 72.45 C ATOM 250 C GLY A 13 -0.467 -20.050 6.371 1.00 44.23 C ATOM 251 O GLY A 13 -1.000 -20.021 5.253 1.00 62.40 O ATOM 0 H GLY A 13 -1.125 -17.393 5.894 1.00 75.43 H new ATOM 0 HA2 GLY A 13 0.862 -18.847 7.540 1.00 72.45 H new ATOM 0 HA3 GLY A 13 -0.830 -18.655 7.953 1.00 72.45 H new ATOM 255 N ASN A 14 -0.093 -21.186 7.006 1.00 45.21 N ATOM 256 CA ASN A 14 -0.468 -22.560 6.581 1.00 13.30 C ATOM 257 C ASN A 14 -0.023 -22.904 5.154 1.00 31.04 C ATOM 258 O ASN A 14 -0.589 -23.783 4.526 1.00 43.41 O ATOM 259 CB ASN A 14 -1.994 -22.773 6.699 1.00 70.30 C ATOM 260 CG ASN A 14 -2.465 -23.028 8.118 1.00 53.53 C ATOM 261 OD1 ASN A 14 -2.522 -24.174 8.567 1.00 40.12 O ATOM 262 ND2 ASN A 14 -2.824 -21.968 8.829 1.00 65.53 N ATOM 0 H ASN A 14 0.489 -21.175 7.844 1.00 45.21 H new ATOM 0 HA ASN A 14 0.062 -23.230 7.258 1.00 13.30 H new ATOM 0 HB2 ASN A 14 -2.506 -21.894 6.308 1.00 70.30 H new ATOM 0 HB3 ASN A 14 -2.284 -23.616 6.072 1.00 70.30 H new ATOM 0 HD21 ASN A 14 -3.162 -22.085 9.784 1.00 65.53 H new ATOM 0 HD22 ASN A 14 -2.762 -21.035 8.421 1.00 65.53 H new ATOM 269 N LEU A 15 1.009 -22.235 4.670 1.00 55.23 N ATOM 270 CA LEU A 15 1.451 -22.395 3.299 1.00 12.20 C ATOM 271 C LEU A 15 2.512 -23.520 3.172 1.00 24.15 C ATOM 272 O LEU A 15 3.245 -23.788 4.132 1.00 31.14 O ATOM 273 CB LEU A 15 1.888 -21.012 2.698 1.00 23.31 C ATOM 274 CG LEU A 15 3.215 -20.301 3.140 1.00 40.43 C ATOM 275 CD1 LEU A 15 3.443 -20.240 4.650 1.00 34.42 C ATOM 276 CD2 LEU A 15 4.424 -20.884 2.427 1.00 54.43 C ATOM 0 H LEU A 15 1.560 -21.570 5.213 1.00 55.23 H new ATOM 0 HA LEU A 15 0.615 -22.734 2.687 1.00 12.20 H new ATOM 0 HB2 LEU A 15 1.945 -21.142 1.617 1.00 23.31 H new ATOM 0 HB3 LEU A 15 1.075 -20.312 2.893 1.00 23.31 H new ATOM 0 HG LEU A 15 3.086 -19.264 2.831 1.00 40.43 H new ATOM 0 HD11 LEU A 15 4.385 -19.731 4.856 1.00 34.42 H new ATOM 0 HD12 LEU A 15 2.625 -19.694 5.120 1.00 34.42 H new ATOM 0 HD13 LEU A 15 3.482 -21.252 5.053 1.00 34.42 H new ATOM 0 HD21 LEU A 15 5.325 -20.368 2.757 1.00 54.43 H new ATOM 0 HD22 LEU A 15 4.507 -21.945 2.661 1.00 54.43 H new ATOM 0 HD23 LEU A 15 4.308 -20.758 1.351 1.00 54.43 H new ATOM 288 N PRO A 16 2.590 -24.217 2.002 1.00 23.12 N ATOM 289 CA PRO A 16 3.538 -25.326 1.796 1.00 31.32 C ATOM 290 C PRO A 16 4.977 -24.857 1.569 1.00 0.53 C ATOM 291 O PRO A 16 5.188 -23.747 1.097 1.00 4.24 O ATOM 292 CB PRO A 16 2.986 -26.036 0.556 1.00 43.24 C ATOM 293 CG PRO A 16 2.234 -24.998 -0.205 1.00 32.55 C ATOM 294 CD PRO A 16 1.764 -23.976 0.795 1.00 10.50 C ATOM 0 HA PRO A 16 3.606 -25.966 2.675 1.00 31.32 H new ATOM 0 HB2 PRO A 16 3.792 -26.455 -0.046 1.00 43.24 H new ATOM 0 HB3 PRO A 16 2.335 -26.864 0.837 1.00 43.24 H new ATOM 0 HG2 PRO A 16 2.871 -24.536 -0.959 1.00 32.55 H new ATOM 0 HG3 PRO A 16 1.388 -25.442 -0.730 1.00 32.55 H new ATOM 0 HD2 PRO A 16 1.901 -22.962 0.418 1.00 10.50 H new ATOM 0 HD3 PRO A 16 0.702 -24.095 1.012 1.00 10.50 H new ATOM 302 N SER A 17 5.928 -25.732 1.984 1.00 23.52 N ATOM 303 CA SER A 17 7.414 -25.544 1.947 1.00 62.41 C ATOM 304 C SER A 17 7.932 -24.680 3.110 1.00 40.31 C ATOM 305 O SER A 17 9.109 -24.804 3.466 1.00 10.04 O ATOM 306 CB SER A 17 7.957 -25.009 0.587 1.00 33.01 C ATOM 307 OG SER A 17 7.938 -23.586 0.503 1.00 54.42 O ATOM 0 H SER A 17 5.673 -26.639 2.376 1.00 23.52 H new ATOM 0 HA SER A 17 7.811 -26.552 2.066 1.00 62.41 H new ATOM 0 HB2 SER A 17 8.978 -25.363 0.445 1.00 33.01 H new ATOM 0 HB3 SER A 17 7.360 -25.424 -0.225 1.00 33.01 H new ATOM 0 HG SER A 17 7.030 -23.260 0.674 1.00 54.42 H new ATOM 313 N HIS A 18 7.034 -23.856 3.707 1.00 32.12 N ATOM 314 CA HIS A 18 7.360 -22.828 4.711 1.00 21.21 C ATOM 315 C HIS A 18 8.211 -21.718 4.083 1.00 54.35 C ATOM 316 O HIS A 18 9.399 -21.892 3.805 1.00 64.10 O ATOM 317 CB HIS A 18 8.018 -23.426 5.988 1.00 5.02 C ATOM 318 CG HIS A 18 8.610 -22.425 6.962 1.00 33.50 C ATOM 319 ND1 HIS A 18 9.925 -22.465 7.371 1.00 60.25 N ATOM 320 CD2 HIS A 18 8.066 -21.347 7.579 1.00 54.13 C ATOM 321 CE1 HIS A 18 10.158 -21.467 8.202 1.00 23.31 C ATOM 322 NE2 HIS A 18 9.049 -20.772 8.342 1.00 72.23 N ATOM 0 H HIS A 18 6.037 -23.895 3.493 1.00 32.12 H new ATOM 0 HA HIS A 18 6.422 -22.384 5.046 1.00 21.21 H new ATOM 0 HB2 HIS A 18 7.269 -24.017 6.515 1.00 5.02 H new ATOM 0 HB3 HIS A 18 8.806 -24.112 5.679 1.00 5.02 H new ATOM 0 HD1 HIS A 18 10.612 -23.159 7.077 1.00 60.25 H new ATOM 0 HD2 HIS A 18 7.046 -21.004 7.486 1.00 54.13 H new ATOM 0 HE1 HIS A 18 11.100 -21.256 8.686 1.00 23.31 H new ATOM 331 N VAL A 19 7.586 -20.571 3.890 1.00 23.41 N ATOM 332 CA VAL A 19 8.297 -19.414 3.388 1.00 22.54 C ATOM 333 C VAL A 19 9.001 -18.712 4.559 1.00 62.54 C ATOM 334 O VAL A 19 8.420 -18.485 5.633 1.00 44.24 O ATOM 335 CB VAL A 19 7.371 -18.462 2.547 1.00 5.01 C ATOM 336 CG1 VAL A 19 6.361 -17.695 3.398 1.00 25.21 C ATOM 337 CG2 VAL A 19 8.194 -17.507 1.696 1.00 12.02 C ATOM 0 H VAL A 19 6.594 -20.418 4.072 1.00 23.41 H new ATOM 0 HA VAL A 19 9.062 -19.738 2.682 1.00 22.54 H new ATOM 0 HB VAL A 19 6.792 -19.110 1.889 1.00 5.01 H new ATOM 0 HG11 VAL A 19 5.754 -17.057 2.756 1.00 25.21 H new ATOM 0 HG12 VAL A 19 5.716 -18.401 3.922 1.00 25.21 H new ATOM 0 HG13 VAL A 19 6.891 -17.079 4.125 1.00 25.21 H new ATOM 0 HG21 VAL A 19 7.527 -16.861 1.125 1.00 12.02 H new ATOM 0 HG22 VAL A 19 8.826 -16.897 2.341 1.00 12.02 H new ATOM 0 HG23 VAL A 19 8.820 -18.078 1.010 1.00 12.02 H new ATOM 347 N SER A 20 10.287 -18.472 4.382 1.00 12.32 N ATOM 348 CA SER A 20 11.089 -17.816 5.397 1.00 33.45 C ATOM 349 C SER A 20 11.079 -16.313 5.168 1.00 55.25 C ATOM 350 O SER A 20 10.645 -15.863 4.110 1.00 43.11 O ATOM 351 CB SER A 20 12.518 -18.365 5.382 1.00 34.13 C ATOM 352 OG SER A 20 12.521 -19.764 5.614 1.00 5.14 O ATOM 0 H SER A 20 10.801 -18.724 3.538 1.00 12.32 H new ATOM 0 HA SER A 20 10.662 -18.019 6.379 1.00 33.45 H new ATOM 0 HB2 SER A 20 12.985 -18.150 4.421 1.00 34.13 H new ATOM 0 HB3 SER A 20 13.113 -17.864 6.145 1.00 34.13 H new ATOM 0 HG SER A 20 13.443 -20.096 5.599 1.00 5.14 H new ATOM 358 N SER A 21 11.564 -15.555 6.158 1.00 73.53 N ATOM 359 CA SER A 21 11.533 -14.085 6.140 1.00 31.41 C ATOM 360 C SER A 21 12.244 -13.489 4.912 1.00 54.44 C ATOM 361 O SER A 21 11.730 -12.562 4.313 1.00 4.45 O ATOM 362 CB SER A 21 12.154 -13.549 7.435 1.00 11.21 C ATOM 363 OG SER A 21 13.361 -14.232 7.735 1.00 1.04 O ATOM 0 H SER A 21 11.991 -15.944 6.999 1.00 73.53 H new ATOM 0 HA SER A 21 10.490 -13.776 6.071 1.00 31.41 H new ATOM 0 HB2 SER A 21 12.350 -12.481 7.335 1.00 11.21 H new ATOM 0 HB3 SER A 21 11.449 -13.668 8.258 1.00 11.21 H new ATOM 0 HG SER A 21 13.742 -13.874 8.564 1.00 1.04 H new ATOM 369 N ARG A 22 13.386 -14.090 4.528 1.00 0.25 N ATOM 370 CA ARG A 22 14.191 -13.672 3.362 1.00 34.12 C ATOM 371 C ARG A 22 13.416 -13.781 2.030 1.00 51.24 C ATOM 372 O ARG A 22 13.532 -12.915 1.151 1.00 10.54 O ATOM 373 CB ARG A 22 15.482 -14.532 3.340 1.00 11.43 C ATOM 374 CG ARG A 22 16.359 -14.425 2.085 1.00 31.23 C ATOM 375 CD ARG A 22 16.108 -15.578 1.103 1.00 64.10 C ATOM 376 NE ARG A 22 17.319 -16.372 0.855 1.00 61.45 N ATOM 377 CZ ARG A 22 17.528 -17.623 1.310 1.00 24.32 C ATOM 378 NH1 ARG A 22 16.610 -18.253 2.050 1.00 61.14 N ATOM 379 NH2 ARG A 22 18.667 -18.248 1.010 1.00 71.34 N ATOM 0 H ARG A 22 13.781 -14.889 5.024 1.00 0.25 H new ATOM 0 HA ARG A 22 14.440 -12.616 3.463 1.00 34.12 H new ATOM 0 HB2 ARG A 22 16.088 -14.258 4.203 1.00 11.43 H new ATOM 0 HB3 ARG A 22 15.198 -15.576 3.469 1.00 11.43 H new ATOM 0 HG2 ARG A 22 16.163 -13.476 1.586 1.00 31.23 H new ATOM 0 HG3 ARG A 22 17.409 -14.420 2.377 1.00 31.23 H new ATOM 0 HD2 ARG A 22 15.326 -16.226 1.499 1.00 64.10 H new ATOM 0 HD3 ARG A 22 15.741 -15.175 0.159 1.00 64.10 H new ATOM 0 HE ARG A 22 18.057 -15.944 0.296 1.00 61.45 H new ATOM 0 HH11 ARG A 22 15.732 -17.787 2.280 1.00 61.14 H new ATOM 0 HH12 ARG A 22 16.787 -19.200 2.385 1.00 61.14 H new ATOM 0 HH21 ARG A 22 19.371 -17.779 0.441 1.00 71.34 H new ATOM 0 HH22 ARG A 22 18.834 -19.195 1.350 1.00 71.34 H new ATOM 393 N ASP A 23 12.630 -14.842 1.896 1.00 65.01 N ATOM 394 CA ASP A 23 11.979 -15.174 0.629 1.00 34.24 C ATOM 395 C ASP A 23 10.796 -14.248 0.353 1.00 30.25 C ATOM 396 O ASP A 23 10.676 -13.690 -0.752 1.00 75.41 O ATOM 397 CB ASP A 23 11.536 -16.639 0.634 1.00 25.01 C ATOM 398 CG ASP A 23 12.683 -17.594 0.915 1.00 72.30 C ATOM 399 OD1 ASP A 23 13.529 -17.804 0.022 1.00 32.13 O ATOM 400 OD2 ASP A 23 12.753 -18.106 2.056 1.00 13.34 O ATOM 0 H ASP A 23 12.425 -15.493 2.654 1.00 65.01 H new ATOM 0 HA ASP A 23 12.701 -15.029 -0.175 1.00 34.24 H new ATOM 0 HB2 ASP A 23 10.760 -16.778 1.387 1.00 25.01 H new ATOM 0 HB3 ASP A 23 11.092 -16.884 -0.331 1.00 25.01 H new ATOM 405 N VAL A 24 9.951 -14.056 1.374 1.00 35.11 N ATOM 406 CA VAL A 24 8.858 -13.082 1.295 1.00 22.24 C ATOM 407 C VAL A 24 9.401 -11.653 1.242 1.00 40.14 C ATOM 408 O VAL A 24 8.802 -10.801 0.586 1.00 3.22 O ATOM 409 CB VAL A 24 7.795 -13.199 2.430 1.00 41.25 C ATOM 410 CG1 VAL A 24 6.680 -14.148 2.038 1.00 43.31 C ATOM 411 CG2 VAL A 24 8.393 -13.648 3.752 1.00 35.22 C ATOM 0 H VAL A 24 10.004 -14.560 2.259 1.00 35.11 H new ATOM 0 HA VAL A 24 8.338 -13.324 0.368 1.00 22.24 H new ATOM 0 HB VAL A 24 7.392 -12.195 2.568 1.00 41.25 H new ATOM 0 HG11 VAL A 24 5.953 -14.210 2.848 1.00 43.31 H new ATOM 0 HG12 VAL A 24 6.189 -13.780 1.137 1.00 43.31 H new ATOM 0 HG13 VAL A 24 7.095 -15.138 1.846 1.00 43.31 H new ATOM 0 HG21 VAL A 24 7.607 -13.712 4.504 1.00 35.22 H new ATOM 0 HG22 VAL A 24 8.856 -14.627 3.628 1.00 35.22 H new ATOM 0 HG23 VAL A 24 9.146 -12.928 4.074 1.00 35.22 H new ATOM 421 N GLU A 25 10.538 -11.402 1.915 1.00 61.53 N ATOM 422 CA GLU A 25 11.231 -10.114 1.811 1.00 74.31 C ATOM 423 C GLU A 25 11.622 -9.825 0.368 1.00 23.42 C ATOM 424 O GLU A 25 11.372 -8.739 -0.092 1.00 42.40 O ATOM 425 CB GLU A 25 12.468 -10.068 2.724 1.00 10.35 C ATOM 426 CG GLU A 25 13.346 -8.826 2.577 1.00 12.52 C ATOM 427 CD GLU A 25 14.409 -8.708 3.653 1.00 34.15 C ATOM 428 OE1 GLU A 25 14.386 -9.498 4.622 1.00 11.11 O ATOM 429 OE2 GLU A 25 15.273 -7.816 3.525 1.00 55.24 O ATOM 0 H GLU A 25 10.992 -12.074 2.534 1.00 61.53 H new ATOM 0 HA GLU A 25 10.540 -9.340 2.144 1.00 74.31 H new ATOM 0 HB2 GLU A 25 12.136 -10.137 3.760 1.00 10.35 H new ATOM 0 HB3 GLU A 25 13.078 -10.949 2.525 1.00 10.35 H new ATOM 0 HG2 GLU A 25 13.829 -8.845 1.600 1.00 12.52 H new ATOM 0 HG3 GLU A 25 12.714 -7.938 2.602 1.00 12.52 H new ATOM 436 N ASN A 26 12.175 -10.810 -0.354 1.00 22.32 N ATOM 437 CA ASN A 26 12.635 -10.590 -1.739 1.00 25.42 C ATOM 438 C ASN A 26 11.443 -10.401 -2.704 1.00 43.25 C ATOM 439 O ASN A 26 11.365 -9.390 -3.484 1.00 55.43 O ATOM 440 CB ASN A 26 13.482 -11.781 -2.196 1.00 65.03 C ATOM 441 CG ASN A 26 14.597 -11.381 -3.143 1.00 41.51 C ATOM 442 OD1 ASN A 26 14.405 -11.297 -4.355 1.00 70.42 O ATOM 443 ND2 ASN A 26 15.778 -11.128 -2.591 1.00 11.41 N ATOM 0 H ASN A 26 12.315 -11.760 -0.009 1.00 22.32 H new ATOM 0 HA ASN A 26 13.234 -9.680 -1.757 1.00 25.42 H new ATOM 0 HB2 ASN A 26 13.912 -12.272 -1.323 1.00 65.03 H new ATOM 0 HB3 ASN A 26 12.839 -12.511 -2.687 1.00 65.03 H new ATOM 0 HD21 ASN A 26 16.566 -10.853 -3.177 1.00 11.41 H new ATOM 0 HD22 ASN A 26 15.897 -11.209 -1.581 1.00 11.41 H new ATOM 450 N GLU A 27 10.482 -11.342 -2.581 1.00 3.44 N ATOM 451 CA GLU A 27 9.303 -11.399 -3.453 1.00 42.44 C ATOM 452 C GLU A 27 8.458 -10.134 -3.317 1.00 21.33 C ATOM 453 O GLU A 27 8.012 -9.570 -4.315 1.00 10.31 O ATOM 454 CB GLU A 27 8.446 -12.629 -3.118 1.00 21.41 C ATOM 455 CG GLU A 27 7.381 -12.951 -4.168 1.00 25.24 C ATOM 456 CD GLU A 27 7.941 -13.665 -5.387 1.00 23.32 C ATOM 457 OE1 GLU A 27 8.512 -12.994 -6.273 1.00 31.01 O ATOM 458 OE2 GLU A 27 7.805 -14.908 -5.455 1.00 20.15 O ATOM 0 H GLU A 27 10.507 -12.078 -1.875 1.00 3.44 H new ATOM 0 HA GLU A 27 9.654 -11.475 -4.482 1.00 42.44 H new ATOM 0 HB2 GLU A 27 9.100 -13.493 -3.002 1.00 21.41 H new ATOM 0 HB3 GLU A 27 7.957 -12.467 -2.157 1.00 21.41 H new ATOM 0 HG2 GLU A 27 6.608 -13.572 -3.714 1.00 25.24 H new ATOM 0 HG3 GLU A 27 6.901 -12.025 -4.485 1.00 25.24 H new ATOM 465 N PHE A 28 8.272 -9.671 -2.082 1.00 53.12 N ATOM 466 CA PHE A 28 7.510 -8.458 -1.853 1.00 31.34 C ATOM 467 C PHE A 28 8.352 -7.189 -2.049 1.00 73.45 C ATOM 468 O PHE A 28 7.780 -6.178 -2.425 1.00 73.43 O ATOM 469 CB PHE A 28 6.798 -8.477 -0.489 1.00 71.44 C ATOM 470 CG PHE A 28 5.630 -9.439 -0.456 1.00 32.34 C ATOM 471 CD1 PHE A 28 4.450 -9.122 -1.100 1.00 14.05 C ATOM 472 CD2 PHE A 28 5.721 -10.661 0.191 1.00 41.43 C ATOM 473 CE1 PHE A 28 3.385 -10.001 -1.099 1.00 33.11 C ATOM 474 CE2 PHE A 28 4.660 -11.543 0.191 1.00 4.43 C ATOM 475 CZ PHE A 28 3.491 -11.212 -0.454 1.00 32.41 C ATOM 0 H PHE A 28 8.636 -10.115 -1.239 1.00 53.12 H new ATOM 0 HA PHE A 28 6.733 -8.430 -2.617 1.00 31.34 H new ATOM 0 HB2 PHE A 28 7.513 -8.753 0.286 1.00 71.44 H new ATOM 0 HB3 PHE A 28 6.444 -7.473 -0.254 1.00 71.44 H new ATOM 0 HD1 PHE A 28 4.359 -8.175 -1.611 1.00 14.05 H new ATOM 0 HD2 PHE A 28 6.635 -10.927 0.702 1.00 41.43 H new ATOM 0 HE1 PHE A 28 2.468 -9.738 -1.605 1.00 33.11 H new ATOM 0 HE2 PHE A 28 4.747 -12.493 0.697 1.00 4.43 H new ATOM 0 HZ PHE A 28 2.659 -11.900 -0.454 1.00 32.41 H new ATOM 485 N ARG A 29 9.702 -7.249 -1.869 1.00 4.10 N ATOM 486 CA ARG A 29 10.566 -6.041 -2.033 1.00 64.40 C ATOM 487 C ARG A 29 10.653 -5.616 -3.489 1.00 71.22 C ATOM 488 O ARG A 29 10.785 -4.416 -3.752 1.00 60.53 O ATOM 489 CB ARG A 29 12.026 -6.187 -1.499 1.00 50.24 C ATOM 490 CG ARG A 29 12.984 -6.936 -2.425 1.00 53.41 C ATOM 491 CD ARG A 29 14.411 -7.007 -1.918 1.00 11.13 C ATOM 492 NE ARG A 29 15.259 -7.753 -2.859 1.00 33.41 N ATOM 493 CZ ARG A 29 15.893 -7.216 -3.922 1.00 3.31 C ATOM 494 NH1 ARG A 29 15.797 -5.914 -4.200 1.00 2.43 N ATOM 495 NH2 ARG A 29 16.612 -7.993 -4.722 1.00 54.22 N ATOM 0 H ARG A 29 10.207 -8.099 -1.616 1.00 4.10 H new ATOM 0 HA ARG A 29 10.066 -5.290 -1.421 1.00 64.40 H new ATOM 0 HB2 ARG A 29 12.429 -5.192 -1.313 1.00 50.24 H new ATOM 0 HB3 ARG A 29 11.995 -6.703 -0.539 1.00 50.24 H new ATOM 0 HG2 ARG A 29 12.612 -7.950 -2.571 1.00 53.41 H new ATOM 0 HG3 ARG A 29 12.981 -6.451 -3.401 1.00 53.41 H new ATOM 0 HD2 ARG A 29 14.806 -6.000 -1.785 1.00 11.13 H new ATOM 0 HD3 ARG A 29 14.432 -7.489 -0.941 1.00 11.13 H new ATOM 0 HE ARG A 29 15.377 -8.753 -2.696 1.00 33.41 H new ATOM 0 HH11 ARG A 29 15.236 -5.305 -3.604 1.00 2.43 H new ATOM 0 HH12 ARG A 29 16.284 -5.528 -5.009 1.00 2.43 H new ATOM 0 HH21 ARG A 29 16.684 -8.993 -4.532 1.00 54.22 H new ATOM 0 HH22 ARG A 29 17.093 -7.591 -5.527 1.00 54.22 H new ATOM 509 N LYS A 30 10.610 -6.592 -4.438 1.00 21.40 N ATOM 510 CA LYS A 30 10.739 -6.211 -5.852 1.00 22.55 C ATOM 511 C LYS A 30 9.525 -5.390 -6.330 1.00 21.35 C ATOM 512 O LYS A 30 9.646 -4.578 -7.249 1.00 51.01 O ATOM 513 CB LYS A 30 11.009 -7.417 -6.778 1.00 14.53 C ATOM 514 CG LYS A 30 9.822 -8.349 -7.034 1.00 13.41 C ATOM 515 CD LYS A 30 9.493 -8.483 -8.532 1.00 62.44 C ATOM 516 CE LYS A 30 8.953 -7.183 -9.131 1.00 41.32 C ATOM 517 NZ LYS A 30 8.485 -7.345 -10.527 1.00 24.34 N ATOM 0 H LYS A 30 10.494 -7.589 -4.256 1.00 21.40 H new ATOM 0 HA LYS A 30 11.620 -5.573 -5.918 1.00 22.55 H new ATOM 0 HB2 LYS A 30 11.362 -7.040 -7.738 1.00 14.53 H new ATOM 0 HB3 LYS A 30 11.820 -8.005 -6.348 1.00 14.53 H new ATOM 0 HG2 LYS A 30 10.042 -9.334 -6.624 1.00 13.41 H new ATOM 0 HG3 LYS A 30 8.947 -7.972 -6.505 1.00 13.41 H new ATOM 0 HD2 LYS A 30 10.391 -8.783 -9.073 1.00 62.44 H new ATOM 0 HD3 LYS A 30 8.758 -9.276 -8.670 1.00 62.44 H new ATOM 0 HE2 LYS A 30 8.129 -6.820 -8.516 1.00 41.32 H new ATOM 0 HE3 LYS A 30 9.733 -6.422 -9.100 1.00 41.32 H new ATOM 0 HZ1 LYS A 30 8.779 -6.521 -11.090 1.00 24.34 H new ATOM 0 HZ2 LYS A 30 8.899 -8.208 -10.934 1.00 24.34 H new ATOM 0 HZ3 LYS A 30 7.448 -7.420 -10.539 1.00 24.34 H new ATOM 531 N TYR A 31 8.378 -5.591 -5.692 1.00 33.32 N ATOM 532 CA TYR A 31 7.181 -4.849 -6.042 1.00 42.33 C ATOM 533 C TYR A 31 7.026 -3.581 -5.179 1.00 43.43 C ATOM 534 O TYR A 31 6.699 -2.527 -5.704 1.00 12.52 O ATOM 535 CB TYR A 31 5.951 -5.749 -5.887 1.00 0.21 C ATOM 536 CG TYR A 31 5.803 -6.819 -6.953 1.00 71.51 C ATOM 537 CD1 TYR A 31 5.300 -6.512 -8.211 1.00 32.41 C ATOM 538 CD2 TYR A 31 6.145 -8.139 -6.695 1.00 44.23 C ATOM 539 CE1 TYR A 31 5.143 -7.490 -9.178 1.00 0.21 C ATOM 540 CE2 TYR A 31 5.986 -9.123 -7.652 1.00 45.23 C ATOM 541 CZ TYR A 31 5.487 -8.793 -8.889 1.00 72.44 C ATOM 542 OH TYR A 31 5.330 -9.769 -9.839 1.00 74.10 O ATOM 0 H TYR A 31 8.255 -6.260 -4.932 1.00 33.32 H new ATOM 0 HA TYR A 31 7.271 -4.531 -7.081 1.00 42.33 H new ATOM 0 HB2 TYR A 31 5.994 -6.233 -4.911 1.00 0.21 H new ATOM 0 HB3 TYR A 31 5.058 -5.124 -5.894 1.00 0.21 H new ATOM 0 HD1 TYR A 31 5.027 -5.492 -8.439 1.00 32.41 H new ATOM 0 HD2 TYR A 31 6.544 -8.403 -5.726 1.00 44.23 H new ATOM 0 HE1 TYR A 31 4.754 -7.234 -10.152 1.00 0.21 H new ATOM 0 HE2 TYR A 31 6.252 -10.146 -7.429 1.00 45.23 H new ATOM 0 HH TYR A 31 4.866 -10.537 -9.445 1.00 74.10 H new ATOM 552 N GLY A 32 7.343 -3.678 -3.882 1.00 12.14 N ATOM 553 CA GLY A 32 7.223 -2.548 -2.964 1.00 45.20 C ATOM 554 C GLY A 32 8.193 -2.668 -1.795 1.00 32.01 C ATOM 555 O GLY A 32 8.283 -3.718 -1.174 1.00 42.01 O ATOM 0 H GLY A 32 7.686 -4.534 -3.447 1.00 12.14 H new ATOM 0 HA2 GLY A 32 7.414 -1.620 -3.502 1.00 45.20 H new ATOM 0 HA3 GLY A 32 6.202 -2.493 -2.586 1.00 45.20 H new ATOM 559 N ASN A 33 8.889 -1.578 -1.485 1.00 70.12 N ATOM 560 CA ASN A 33 10.035 -1.590 -0.552 1.00 21.24 C ATOM 561 C ASN A 33 9.646 -1.960 0.892 1.00 51.30 C ATOM 562 O ASN A 33 8.874 -1.258 1.547 1.00 15.23 O ATOM 563 CB ASN A 33 10.751 -0.236 -0.582 1.00 53.12 C ATOM 564 CG ASN A 33 11.404 0.046 -1.926 1.00 63.44 C ATOM 565 OD1 ASN A 33 10.790 0.618 -2.826 1.00 21.23 O ATOM 566 ND2 ASN A 33 12.659 -0.357 -2.076 1.00 72.20 N ATOM 0 H ASN A 33 8.682 -0.656 -1.869 1.00 70.12 H new ATOM 0 HA ASN A 33 10.709 -2.374 -0.897 1.00 21.24 H new ATOM 0 HB2 ASN A 33 10.036 0.555 -0.356 1.00 53.12 H new ATOM 0 HB3 ASN A 33 11.510 -0.212 0.200 1.00 53.12 H new ATOM 0 HD21 ASN A 33 13.145 -0.195 -2.958 1.00 72.20 H new ATOM 0 HD22 ASN A 33 13.138 -0.828 -1.309 1.00 72.20 H new ATOM 573 N ILE A 34 10.220 -3.076 1.357 1.00 71.33 N ATOM 574 CA ILE A 34 9.904 -3.680 2.660 1.00 64.23 C ATOM 575 C ILE A 34 10.790 -3.101 3.772 1.00 64.45 C ATOM 576 O ILE A 34 11.984 -2.836 3.575 1.00 21.41 O ATOM 577 CB ILE A 34 9.958 -5.259 2.569 1.00 71.22 C ATOM 578 CG1 ILE A 34 9.864 -5.981 3.949 1.00 14.33 C ATOM 579 CG2 ILE A 34 11.185 -5.725 1.796 1.00 73.31 C ATOM 580 CD1 ILE A 34 11.201 -6.309 4.634 1.00 12.11 C ATOM 0 H ILE A 34 10.926 -3.593 0.833 1.00 71.33 H new ATOM 0 HA ILE A 34 8.881 -3.420 2.932 1.00 64.23 H new ATOM 0 HB ILE A 34 9.061 -5.548 2.021 1.00 71.22 H new ATOM 0 HG12 ILE A 34 9.277 -5.357 4.623 1.00 14.33 H new ATOM 0 HG13 ILE A 34 9.311 -6.911 3.813 1.00 14.33 H new ATOM 0 HG21 ILE A 34 11.194 -6.814 1.750 1.00 73.31 H new ATOM 0 HG22 ILE A 34 11.153 -5.320 0.785 1.00 73.31 H new ATOM 0 HG23 ILE A 34 12.086 -5.375 2.299 1.00 73.31 H new ATOM 0 HD11 ILE A 34 11.010 -6.809 5.584 1.00 12.11 H new ATOM 0 HD12 ILE A 34 11.788 -6.964 3.991 1.00 12.11 H new ATOM 0 HD13 ILE A 34 11.754 -5.387 4.814 1.00 12.11 H new ATOM 592 N LEU A 35 10.166 -2.865 4.927 1.00 25.22 N ATOM 593 CA LEU A 35 10.835 -2.254 6.071 1.00 51.34 C ATOM 594 C LEU A 35 11.210 -3.302 7.130 1.00 24.42 C ATOM 595 O LEU A 35 12.321 -3.286 7.663 1.00 54.32 O ATOM 596 CB LEU A 35 9.931 -1.159 6.671 1.00 52.52 C ATOM 597 CG LEU A 35 10.139 0.284 6.146 1.00 54.42 C ATOM 598 CD1 LEU A 35 10.019 0.382 4.627 1.00 21.32 C ATOM 599 CD2 LEU A 35 9.136 1.221 6.797 1.00 71.22 C ATOM 0 H LEU A 35 9.186 -3.092 5.093 1.00 25.22 H new ATOM 0 HA LEU A 35 11.765 -1.800 5.729 1.00 51.34 H new ATOM 0 HB2 LEU A 35 8.893 -1.439 6.492 1.00 52.52 H new ATOM 0 HB3 LEU A 35 10.077 -1.152 7.751 1.00 52.52 H new ATOM 0 HG LEU A 35 11.155 0.575 6.411 1.00 54.42 H new ATOM 0 HD11 LEU A 35 10.174 1.415 4.316 1.00 21.32 H new ATOM 0 HD12 LEU A 35 10.771 -0.254 4.161 1.00 21.32 H new ATOM 0 HD13 LEU A 35 9.026 0.055 4.319 1.00 21.32 H new ATOM 0 HD21 LEU A 35 9.288 2.234 6.423 1.00 71.22 H new ATOM 0 HD22 LEU A 35 8.124 0.894 6.558 1.00 71.22 H new ATOM 0 HD23 LEU A 35 9.275 1.209 7.878 1.00 71.22 H new ATOM 611 N LYS A 36 10.279 -4.217 7.413 1.00 2.41 N ATOM 612 CA LYS A 36 10.477 -5.279 8.400 1.00 73.03 C ATOM 613 C LYS A 36 9.741 -6.534 7.933 1.00 34.14 C ATOM 614 O LYS A 36 8.602 -6.447 7.525 1.00 70.23 O ATOM 615 CB LYS A 36 9.954 -4.792 9.781 1.00 63.10 C ATOM 616 CG LYS A 36 10.246 -5.707 10.989 1.00 3.53 C ATOM 617 CD LYS A 36 9.194 -6.806 11.189 1.00 11.23 C ATOM 618 CE LYS A 36 8.476 -6.689 12.524 1.00 52.15 C ATOM 619 NZ LYS A 36 7.667 -5.446 12.619 1.00 62.33 N ATOM 0 H LYS A 36 9.364 -4.241 6.962 1.00 2.41 H new ATOM 0 HA LYS A 36 11.535 -5.521 8.502 1.00 73.03 H new ATOM 0 HB2 LYS A 36 10.386 -3.812 9.983 1.00 63.10 H new ATOM 0 HB3 LYS A 36 8.875 -4.656 9.709 1.00 63.10 H new ATOM 0 HG2 LYS A 36 11.224 -6.170 10.857 1.00 3.53 H new ATOM 0 HG3 LYS A 36 10.301 -5.098 11.892 1.00 3.53 H new ATOM 0 HD2 LYS A 36 8.463 -6.756 10.382 1.00 11.23 H new ATOM 0 HD3 LYS A 36 9.676 -7.782 11.123 1.00 11.23 H new ATOM 0 HE2 LYS A 36 7.828 -7.554 12.663 1.00 52.15 H new ATOM 0 HE3 LYS A 36 9.208 -6.707 13.331 1.00 52.15 H new ATOM 0 HZ1 LYS A 36 6.866 -5.602 13.264 1.00 62.33 H new ATOM 0 HZ2 LYS A 36 8.260 -4.673 12.983 1.00 62.33 H new ATOM 0 HZ3 LYS A 36 7.308 -5.192 11.676 1.00 62.33 H new ATOM 633 N CYS A 37 10.395 -7.691 7.980 1.00 22.34 N ATOM 634 CA CYS A 37 9.726 -8.947 7.653 1.00 34.45 C ATOM 635 C CYS A 37 10.135 -10.016 8.642 1.00 60.43 C ATOM 636 O CYS A 37 11.327 -10.320 8.771 1.00 61.24 O ATOM 637 CB CYS A 37 10.059 -9.403 6.238 1.00 44.10 C ATOM 638 SG CYS A 37 9.030 -10.762 5.656 1.00 71.43 S ATOM 0 H CYS A 37 11.377 -7.786 8.238 1.00 22.34 H new ATOM 0 HA CYS A 37 8.650 -8.781 7.711 1.00 34.45 H new ATOM 0 HB2 CYS A 37 9.949 -8.558 5.558 1.00 44.10 H new ATOM 0 HB3 CYS A 37 11.105 -9.708 6.201 1.00 44.10 H new ATOM 0 HG CYS A 37 7.926 -10.794 6.341 1.00 71.43 H new ATOM 644 N ASP A 38 9.159 -10.562 9.364 1.00 1.33 N ATOM 645 CA ASP A 38 9.460 -11.575 10.381 1.00 24.53 C ATOM 646 C ASP A 38 8.556 -12.797 10.232 1.00 31.44 C ATOM 647 O ASP A 38 7.426 -12.686 9.786 1.00 12.04 O ATOM 648 CB ASP A 38 9.412 -10.975 11.808 1.00 11.35 C ATOM 649 CG ASP A 38 8.051 -11.030 12.489 1.00 45.35 C ATOM 650 OD1 ASP A 38 7.225 -10.105 12.292 1.00 1.31 O ATOM 651 OD2 ASP A 38 7.809 -11.995 13.232 1.00 24.21 O ATOM 0 H ASP A 38 8.171 -10.328 9.270 1.00 1.33 H new ATOM 0 HA ASP A 38 10.482 -11.918 10.220 1.00 24.53 H new ATOM 0 HB2 ASP A 38 10.134 -11.503 12.431 1.00 11.35 H new ATOM 0 HB3 ASP A 38 9.734 -9.935 11.759 1.00 11.35 H new ATOM 656 N VAL A 39 9.063 -13.970 10.562 1.00 4.41 N ATOM 657 CA VAL A 39 8.264 -15.186 10.447 1.00 22.30 C ATOM 658 C VAL A 39 8.045 -15.856 11.835 1.00 55.13 C ATOM 659 O VAL A 39 8.994 -16.136 12.574 1.00 30.44 O ATOM 660 CB VAL A 39 8.864 -16.158 9.358 1.00 73.22 C ATOM 661 CG1 VAL A 39 10.322 -16.493 9.623 1.00 12.03 C ATOM 662 CG2 VAL A 39 8.058 -17.446 9.209 1.00 34.33 C ATOM 0 H VAL A 39 10.012 -14.111 10.908 1.00 4.41 H new ATOM 0 HA VAL A 39 7.269 -14.917 10.093 1.00 22.30 H new ATOM 0 HB VAL A 39 8.801 -15.609 8.419 1.00 73.22 H new ATOM 0 HG11 VAL A 39 10.688 -17.164 8.846 1.00 12.03 H new ATOM 0 HG12 VAL A 39 10.912 -15.577 9.619 1.00 12.03 H new ATOM 0 HG13 VAL A 39 10.413 -16.979 10.595 1.00 12.03 H new ATOM 0 HG21 VAL A 39 8.517 -18.076 8.447 1.00 34.33 H new ATOM 0 HG22 VAL A 39 8.044 -17.979 10.160 1.00 34.33 H new ATOM 0 HG23 VAL A 39 7.037 -17.204 8.914 1.00 34.33 H new ATOM 672 N LYS A 40 6.761 -16.070 12.181 1.00 70.44 N ATOM 673 CA LYS A 40 6.360 -16.661 13.469 1.00 23.41 C ATOM 674 C LYS A 40 5.848 -18.095 13.255 1.00 22.22 C ATOM 675 O LYS A 40 5.550 -18.491 12.127 1.00 33.21 O ATOM 676 CB LYS A 40 5.222 -15.866 14.145 1.00 52.40 C ATOM 677 CG LYS A 40 5.436 -14.356 14.314 1.00 62.24 C ATOM 678 CD LYS A 40 4.676 -13.546 13.256 1.00 23.31 C ATOM 679 CE LYS A 40 4.159 -12.217 13.811 1.00 70.43 C ATOM 680 NZ LYS A 40 5.255 -11.323 14.273 1.00 13.55 N ATOM 0 H LYS A 40 5.974 -15.838 11.575 1.00 70.44 H new ATOM 0 HA LYS A 40 7.244 -16.643 14.107 1.00 23.41 H new ATOM 0 HB2 LYS A 40 4.312 -16.017 13.565 1.00 52.40 H new ATOM 0 HB3 LYS A 40 5.047 -16.296 15.131 1.00 52.40 H new ATOM 0 HG2 LYS A 40 5.108 -14.052 15.308 1.00 62.24 H new ATOM 0 HG3 LYS A 40 6.500 -14.131 14.247 1.00 62.24 H new ATOM 0 HD2 LYS A 40 5.332 -13.353 12.407 1.00 23.31 H new ATOM 0 HD3 LYS A 40 3.837 -14.134 12.883 1.00 23.31 H new ATOM 0 HE2 LYS A 40 3.580 -11.707 13.041 1.00 70.43 H new ATOM 0 HE3 LYS A 40 3.481 -12.414 14.642 1.00 70.43 H new ATOM 0 HZ1 LYS A 40 5.212 -11.228 15.308 1.00 13.55 H new ATOM 0 HZ2 LYS A 40 6.173 -11.729 14.000 1.00 13.55 H new ATOM 0 HZ3 LYS A 40 5.147 -10.386 13.834 1.00 13.55 H new ATOM 694 N LYS A 41 5.760 -18.885 14.329 1.00 75.24 N ATOM 695 CA LYS A 41 5.125 -20.207 14.260 1.00 12.13 C ATOM 696 C LYS A 41 4.139 -20.405 15.428 1.00 52.44 C ATOM 697 O LYS A 41 4.314 -19.807 16.492 1.00 61.55 O ATOM 698 CB LYS A 41 6.181 -21.352 14.187 1.00 70.24 C ATOM 699 CG LYS A 41 6.790 -21.831 15.523 1.00 15.15 C ATOM 700 CD LYS A 41 7.691 -20.808 16.225 1.00 54.42 C ATOM 701 CE LYS A 41 8.987 -20.539 15.472 1.00 13.10 C ATOM 702 NZ LYS A 41 9.934 -19.728 16.283 1.00 42.13 N ATOM 0 H LYS A 41 6.117 -18.636 15.251 1.00 75.24 H new ATOM 0 HA LYS A 41 4.551 -20.253 13.334 1.00 12.13 H new ATOM 0 HB2 LYS A 41 5.717 -22.210 13.699 1.00 70.24 H new ATOM 0 HB3 LYS A 41 6.996 -21.021 13.543 1.00 70.24 H new ATOM 0 HG2 LYS A 41 5.979 -22.103 16.198 1.00 15.15 H new ATOM 0 HG3 LYS A 41 7.368 -22.736 15.338 1.00 15.15 H new ATOM 0 HD2 LYS A 41 7.145 -19.872 16.343 1.00 54.42 H new ATOM 0 HD3 LYS A 41 7.927 -21.167 17.227 1.00 54.42 H new ATOM 0 HE2 LYS A 41 9.456 -21.486 15.204 1.00 13.10 H new ATOM 0 HE3 LYS A 41 8.766 -20.018 14.541 1.00 13.10 H new ATOM 0 HZ1 LYS A 41 10.805 -19.564 15.739 1.00 42.13 H new ATOM 0 HZ2 LYS A 41 9.496 -18.815 16.518 1.00 42.13 H new ATOM 0 HZ3 LYS A 41 10.164 -20.237 17.160 1.00 42.13 H new ATOM 716 N THR A 42 3.096 -21.210 15.221 1.00 43.33 N ATOM 717 CA THR A 42 2.193 -21.587 16.314 1.00 30.44 C ATOM 718 C THR A 42 2.545 -23.001 16.829 1.00 14.42 C ATOM 719 O THR A 42 3.332 -23.719 16.204 1.00 64.22 O ATOM 720 CB THR A 42 0.681 -21.488 15.902 1.00 34.42 C ATOM 721 OG1 THR A 42 -0.183 -21.693 17.029 1.00 12.41 O ATOM 722 CG2 THR A 42 0.311 -22.483 14.814 1.00 42.40 C ATOM 0 H THR A 42 2.855 -21.612 14.315 1.00 43.33 H new ATOM 0 HA THR A 42 2.337 -20.872 17.124 1.00 30.44 H new ATOM 0 HB THR A 42 0.543 -20.479 15.513 1.00 34.42 H new ATOM 0 HG1 THR A 42 -1.117 -21.624 16.742 1.00 12.41 H new ATOM 0 HG21 THR A 42 -0.745 -22.374 14.565 1.00 42.40 H new ATOM 0 HG22 THR A 42 0.915 -22.293 13.927 1.00 42.40 H new ATOM 0 HG23 THR A 42 0.497 -23.497 15.169 1.00 42.40 H new ATOM 730 N VAL A 43 1.946 -23.382 17.965 1.00 12.03 N ATOM 731 CA VAL A 43 2.147 -24.696 18.595 1.00 54.01 C ATOM 732 C VAL A 43 1.390 -25.810 17.819 1.00 62.12 C ATOM 733 O VAL A 43 1.721 -26.994 17.923 1.00 63.41 O ATOM 734 CB VAL A 43 1.692 -24.653 20.096 1.00 10.31 C ATOM 735 CG1 VAL A 43 2.107 -25.904 20.867 1.00 60.24 C ATOM 736 CG2 VAL A 43 2.238 -23.412 20.800 1.00 64.43 C ATOM 0 H VAL A 43 1.301 -22.781 18.479 1.00 12.03 H new ATOM 0 HA VAL A 43 3.210 -24.933 18.561 1.00 54.01 H new ATOM 0 HB VAL A 43 0.603 -24.612 20.085 1.00 10.31 H new ATOM 0 HG11 VAL A 43 1.768 -25.824 21.900 1.00 60.24 H new ATOM 0 HG12 VAL A 43 1.657 -26.782 20.405 1.00 60.24 H new ATOM 0 HG13 VAL A 43 3.193 -26.000 20.848 1.00 60.24 H new ATOM 0 HG21 VAL A 43 1.907 -23.408 21.839 1.00 64.43 H new ATOM 0 HG22 VAL A 43 3.327 -23.424 20.766 1.00 64.43 H new ATOM 0 HG23 VAL A 43 1.869 -22.517 20.298 1.00 64.43 H new ATOM 746 N SER A 44 0.415 -25.402 16.990 1.00 15.11 N ATOM 747 CA SER A 44 -0.382 -26.332 16.177 1.00 60.34 C ATOM 748 C SER A 44 0.411 -26.856 14.960 1.00 21.42 C ATOM 749 O SER A 44 -0.001 -27.824 14.314 1.00 24.45 O ATOM 750 CB SER A 44 -1.669 -25.629 15.718 1.00 25.25 C ATOM 751 OG SER A 44 -2.552 -26.511 15.043 1.00 1.11 O ATOM 0 H SER A 44 0.159 -24.423 16.866 1.00 15.11 H new ATOM 0 HA SER A 44 -0.633 -27.196 16.792 1.00 60.34 H new ATOM 0 HB2 SER A 44 -2.176 -25.203 16.584 1.00 25.25 H new ATOM 0 HB3 SER A 44 -1.412 -24.800 15.058 1.00 25.25 H new ATOM 0 HG SER A 44 -2.052 -27.287 14.715 1.00 1.11 H new ATOM 757 N GLY A 45 1.554 -26.224 14.660 1.00 1.25 N ATOM 758 CA GLY A 45 2.423 -26.697 13.593 1.00 71.44 C ATOM 759 C GLY A 45 2.352 -25.864 12.327 1.00 24.44 C ATOM 760 O GLY A 45 3.093 -26.118 11.377 1.00 12.21 O ATOM 0 H GLY A 45 1.890 -25.390 15.142 1.00 1.25 H new ATOM 0 HA2 GLY A 45 3.452 -26.706 13.953 1.00 71.44 H new ATOM 0 HA3 GLY A 45 2.160 -27.727 13.353 1.00 71.44 H new ATOM 764 N ALA A 46 1.472 -24.870 12.315 1.00 51.10 N ATOM 765 CA ALA A 46 1.358 -23.958 11.184 1.00 44.12 C ATOM 766 C ALA A 46 2.317 -22.787 11.343 1.00 43.10 C ATOM 767 O ALA A 46 2.573 -22.322 12.458 1.00 62.23 O ATOM 768 CB ALA A 46 -0.074 -23.464 11.032 1.00 74.44 C ATOM 0 H ALA A 46 0.825 -24.675 13.079 1.00 51.10 H new ATOM 0 HA ALA A 46 1.627 -24.501 10.278 1.00 44.12 H new ATOM 0 HB1 ALA A 46 -0.136 -22.785 10.182 1.00 74.44 H new ATOM 0 HB2 ALA A 46 -0.736 -24.314 10.867 1.00 74.44 H new ATOM 0 HB3 ALA A 46 -0.376 -22.939 11.938 1.00 74.44 H new ATOM 774 N ALA A 47 2.858 -22.327 10.231 1.00 12.31 N ATOM 775 CA ALA A 47 3.807 -21.226 10.235 1.00 63.32 C ATOM 776 C ALA A 47 3.240 -20.040 9.474 1.00 74.35 C ATOM 777 O ALA A 47 2.480 -20.217 8.521 1.00 71.43 O ATOM 778 CB ALA A 47 5.136 -21.676 9.652 1.00 11.30 C ATOM 0 H ALA A 47 2.655 -22.702 9.304 1.00 12.31 H new ATOM 0 HA ALA A 47 3.983 -20.910 11.263 1.00 63.32 H new ATOM 0 HB1 ALA A 47 5.838 -20.842 9.661 1.00 11.30 H new ATOM 0 HB2 ALA A 47 5.537 -22.494 10.250 1.00 11.30 H new ATOM 0 HB3 ALA A 47 4.988 -22.015 8.627 1.00 11.30 H new ATOM 784 N PHE A 48 3.603 -18.832 9.902 1.00 61.12 N ATOM 785 CA PHE A 48 3.045 -17.608 9.327 1.00 52.43 C ATOM 786 C PHE A 48 4.151 -16.603 9.117 1.00 24.55 C ATOM 787 O PHE A 48 5.069 -16.523 9.912 1.00 45.04 O ATOM 788 CB PHE A 48 2.011 -16.932 10.263 1.00 40.40 C ATOM 789 CG PHE A 48 1.207 -17.857 11.135 1.00 74.33 C ATOM 790 CD1 PHE A 48 0.008 -18.385 10.698 1.00 22.54 C ATOM 791 CD2 PHE A 48 1.663 -18.197 12.394 1.00 24.11 C ATOM 792 CE1 PHE A 48 -0.725 -19.235 11.494 1.00 2.44 C ATOM 793 CE2 PHE A 48 0.941 -19.041 13.194 1.00 2.42 C ATOM 794 CZ PHE A 48 -0.259 -19.564 12.747 1.00 62.32 C ATOM 0 H PHE A 48 4.282 -18.674 10.646 1.00 61.12 H new ATOM 0 HA PHE A 48 2.559 -17.896 8.395 1.00 52.43 H new ATOM 0 HB2 PHE A 48 2.538 -16.227 10.905 1.00 40.40 H new ATOM 0 HB3 PHE A 48 1.321 -16.351 9.651 1.00 40.40 H new ATOM 0 HD1 PHE A 48 -0.360 -18.127 9.716 1.00 22.54 H new ATOM 0 HD2 PHE A 48 2.599 -17.793 12.751 1.00 24.11 H new ATOM 0 HE1 PHE A 48 -1.660 -19.642 11.138 1.00 2.44 H new ATOM 0 HE2 PHE A 48 1.309 -19.299 14.176 1.00 2.42 H new ATOM 0 HZ PHE A 48 -0.829 -20.229 13.379 1.00 62.32 H new ATOM 804 N ALA A 49 4.027 -15.794 8.087 1.00 21.51 N ATOM 805 CA ALA A 49 4.982 -14.744 7.844 1.00 74.30 C ATOM 806 C ALA A 49 4.278 -13.401 7.820 1.00 3.51 C ATOM 807 O ALA A 49 3.148 -13.270 7.313 1.00 2.31 O ATOM 808 CB ALA A 49 5.779 -14.989 6.567 1.00 63.31 C ATOM 0 H ALA A 49 3.271 -15.847 7.405 1.00 21.51 H new ATOM 0 HA ALA A 49 5.704 -14.739 8.661 1.00 74.30 H new ATOM 0 HB1 ALA A 49 6.488 -14.175 6.419 1.00 63.31 H new ATOM 0 HB2 ALA A 49 6.320 -15.931 6.651 1.00 63.31 H new ATOM 0 HB3 ALA A 49 5.099 -15.036 5.717 1.00 63.31 H new ATOM 814 N PHE A 50 4.957 -12.439 8.407 1.00 30.13 N ATOM 815 CA PHE A 50 4.468 -11.096 8.580 1.00 32.44 C ATOM 816 C PHE A 50 5.330 -10.174 7.733 1.00 71.33 C ATOM 817 O PHE A 50 6.563 -10.082 7.960 1.00 4.21 O ATOM 818 CB PHE A 50 4.601 -10.759 10.069 1.00 25.35 C ATOM 819 CG PHE A 50 3.654 -9.732 10.604 1.00 50.34 C ATOM 820 CD1 PHE A 50 2.322 -10.050 10.809 1.00 34.15 C ATOM 821 CD2 PHE A 50 4.102 -8.469 10.953 1.00 5.21 C ATOM 822 CE1 PHE A 50 1.452 -9.124 11.345 1.00 63.33 C ATOM 823 CE2 PHE A 50 3.237 -7.543 11.497 1.00 62.20 C ATOM 824 CZ PHE A 50 1.912 -7.873 11.695 1.00 45.42 C ATOM 0 H PHE A 50 5.893 -12.579 8.787 1.00 30.13 H new ATOM 0 HA PHE A 50 3.428 -10.985 8.272 1.00 32.44 H new ATOM 0 HB2 PHE A 50 4.468 -11.677 10.641 1.00 25.35 H new ATOM 0 HB3 PHE A 50 5.619 -10.414 10.252 1.00 25.35 H new ATOM 0 HD1 PHE A 50 1.961 -11.033 10.546 1.00 34.15 H new ATOM 0 HD2 PHE A 50 5.138 -8.207 10.798 1.00 5.21 H new ATOM 0 HE1 PHE A 50 0.413 -9.379 11.490 1.00 63.33 H new ATOM 0 HE2 PHE A 50 3.596 -6.561 11.768 1.00 62.20 H new ATOM 0 HZ PHE A 50 1.235 -7.150 12.125 1.00 45.42 H new ATOM 834 N ILE A 51 4.701 -9.501 6.752 1.00 31.33 N ATOM 835 CA ILE A 51 5.470 -8.668 5.799 1.00 33.45 C ATOM 836 C ILE A 51 5.048 -7.199 5.898 1.00 1.53 C ATOM 837 O ILE A 51 3.967 -6.830 5.454 1.00 43.55 O ATOM 838 CB ILE A 51 5.327 -9.125 4.303 1.00 10.01 C ATOM 839 CG1 ILE A 51 5.591 -10.624 4.109 1.00 12.12 C ATOM 840 CG2 ILE A 51 6.295 -8.348 3.407 1.00 33.21 C ATOM 841 CD1 ILE A 51 4.366 -11.508 4.216 1.00 5.31 C ATOM 0 H ILE A 51 3.693 -9.513 6.597 1.00 31.33 H new ATOM 0 HA ILE A 51 6.514 -8.793 6.087 1.00 33.45 H new ATOM 0 HB ILE A 51 4.293 -8.919 4.025 1.00 10.01 H new ATOM 0 HG12 ILE A 51 6.044 -10.774 3.129 1.00 12.12 H new ATOM 0 HG13 ILE A 51 6.321 -10.948 4.851 1.00 12.12 H new ATOM 0 HG21 ILE A 51 6.181 -8.679 2.375 1.00 33.21 H new ATOM 0 HG22 ILE A 51 6.076 -7.282 3.473 1.00 33.21 H new ATOM 0 HG23 ILE A 51 7.319 -8.529 3.735 1.00 33.21 H new ATOM 0 HD11 ILE A 51 4.654 -12.548 4.065 1.00 5.31 H new ATOM 0 HD12 ILE A 51 3.921 -11.395 5.204 1.00 5.31 H new ATOM 0 HD13 ILE A 51 3.640 -11.218 3.456 1.00 5.31 H new ATOM 853 N GLU A 52 5.940 -6.366 6.427 1.00 1.00 N ATOM 854 CA GLU A 52 5.611 -4.983 6.757 1.00 1.35 C ATOM 855 C GLU A 52 6.426 -3.993 5.894 1.00 10.23 C ATOM 856 O GLU A 52 7.633 -3.814 6.074 1.00 31.22 O ATOM 857 CB GLU A 52 5.854 -4.807 8.262 1.00 13.54 C ATOM 858 CG GLU A 52 5.086 -3.675 8.912 1.00 3.53 C ATOM 859 CD GLU A 52 5.068 -3.786 10.425 1.00 12.00 C ATOM 860 OE1 GLU A 52 6.109 -3.514 11.057 1.00 31.01 O ATOM 861 OE2 GLU A 52 4.011 -4.150 10.986 1.00 5.54 O ATOM 0 H GLU A 52 6.903 -6.628 6.637 1.00 1.00 H new ATOM 0 HA GLU A 52 4.567 -4.763 6.532 1.00 1.35 H new ATOM 0 HB2 GLU A 52 5.594 -5.738 8.767 1.00 13.54 H new ATOM 0 HB3 GLU A 52 6.919 -4.642 8.425 1.00 13.54 H new ATOM 0 HG2 GLU A 52 5.533 -2.723 8.625 1.00 3.53 H new ATOM 0 HG3 GLU A 52 4.062 -3.672 8.538 1.00 3.53 H new ATOM 868 N PHE A 53 5.746 -3.396 4.916 1.00 44.54 N ATOM 869 CA PHE A 53 6.366 -2.463 3.953 1.00 62.30 C ATOM 870 C PHE A 53 5.864 -1.025 4.065 1.00 1.33 C ATOM 871 O PHE A 53 4.920 -0.731 4.804 1.00 1.32 O ATOM 872 CB PHE A 53 6.216 -2.952 2.506 1.00 63.33 C ATOM 873 CG PHE A 53 4.976 -3.730 2.236 1.00 21.31 C ATOM 874 CD1 PHE A 53 3.731 -3.148 2.336 1.00 31.45 C ATOM 875 CD2 PHE A 53 5.068 -5.064 1.894 1.00 44.44 C ATOM 876 CE1 PHE A 53 2.603 -3.874 2.101 1.00 13.42 C ATOM 877 CE2 PHE A 53 3.940 -5.789 1.655 1.00 44.12 C ATOM 878 CZ PHE A 53 2.703 -5.191 1.759 1.00 14.41 C ATOM 0 H PHE A 53 4.748 -3.540 4.762 1.00 44.54 H new ATOM 0 HA PHE A 53 7.422 -2.452 4.224 1.00 62.30 H new ATOM 0 HB2 PHE A 53 6.238 -2.088 1.841 1.00 63.33 H new ATOM 0 HB3 PHE A 53 7.078 -3.570 2.255 1.00 63.33 H new ATOM 0 HD1 PHE A 53 3.649 -2.105 2.604 1.00 31.45 H new ATOM 0 HD2 PHE A 53 6.037 -5.534 1.816 1.00 44.44 H new ATOM 0 HE1 PHE A 53 1.632 -3.409 2.185 1.00 13.42 H new ATOM 0 HE2 PHE A 53 4.015 -6.832 1.384 1.00 44.12 H new ATOM 0 HZ PHE A 53 1.809 -5.767 1.569 1.00 14.41 H new ATOM 888 N GLU A 54 6.541 -0.135 3.323 1.00 23.01 N ATOM 889 CA GLU A 54 6.110 1.258 3.160 1.00 51.43 C ATOM 890 C GLU A 54 4.909 1.371 2.197 1.00 71.10 C ATOM 891 O GLU A 54 3.938 2.068 2.512 1.00 64.11 O ATOM 892 CB GLU A 54 7.289 2.139 2.681 1.00 22.02 C ATOM 893 CG GLU A 54 6.924 3.600 2.356 1.00 43.42 C ATOM 894 CD GLU A 54 8.130 4.539 2.310 1.00 55.33 C ATOM 895 OE1 GLU A 54 9.193 4.138 1.783 1.00 14.14 O ATOM 896 OE2 GLU A 54 8.032 5.672 2.835 1.00 62.13 O ATOM 0 H GLU A 54 7.400 -0.362 2.821 1.00 23.01 H new ATOM 0 HA GLU A 54 5.782 1.622 4.134 1.00 51.43 H new ATOM 0 HB2 GLU A 54 8.060 2.136 3.451 1.00 22.02 H new ATOM 0 HB3 GLU A 54 7.725 1.683 1.792 1.00 22.02 H new ATOM 0 HG2 GLU A 54 6.413 3.632 1.394 1.00 43.42 H new ATOM 0 HG3 GLU A 54 6.219 3.964 3.104 1.00 43.42 H new ATOM 903 N ASP A 55 4.929 0.652 1.059 1.00 44.23 N ATOM 904 CA ASP A 55 3.853 0.810 0.077 1.00 5.43 C ATOM 905 C ASP A 55 3.073 -0.468 -0.121 1.00 74.14 C ATOM 906 O ASP A 55 3.604 -1.512 -0.514 1.00 24.12 O ATOM 907 CB ASP A 55 4.378 1.304 -1.275 1.00 40.10 C ATOM 908 CG ASP A 55 4.521 2.809 -1.307 1.00 35.00 C ATOM 909 OD1 ASP A 55 3.478 3.498 -1.305 1.00 43.15 O ATOM 910 OD2 ASP A 55 5.663 3.305 -1.320 1.00 74.43 O ATOM 0 H ASP A 55 5.653 -0.020 0.807 1.00 44.23 H new ATOM 0 HA ASP A 55 3.183 1.565 0.488 1.00 5.43 H new ATOM 0 HB2 ASP A 55 5.344 0.843 -1.480 1.00 40.10 H new ATOM 0 HB3 ASP A 55 3.699 0.987 -2.066 1.00 40.10 H new ATOM 915 N ALA A 56 1.781 -0.328 0.136 1.00 21.12 N ATOM 916 CA ALA A 56 0.830 -1.425 0.113 1.00 54.44 C ATOM 917 C ALA A 56 0.391 -1.836 -1.289 1.00 61.53 C ATOM 918 O ALA A 56 0.318 -3.018 -1.583 1.00 44.22 O ATOM 919 CB ALA A 56 -0.372 -1.070 0.972 1.00 44.41 C ATOM 0 H ALA A 56 1.358 0.570 0.371 1.00 21.12 H new ATOM 0 HA ALA A 56 1.343 -2.296 0.522 1.00 54.44 H new ATOM 0 HB1 ALA A 56 -1.087 -1.893 0.956 1.00 44.41 H new ATOM 0 HB2 ALA A 56 -0.047 -0.892 1.997 1.00 44.41 H new ATOM 0 HB3 ALA A 56 -0.846 -0.170 0.580 1.00 44.41 H new ATOM 925 N ARG A 57 0.108 -0.840 -2.139 1.00 22.51 N ATOM 926 CA ARG A 57 -0.548 -1.062 -3.440 1.00 35.53 C ATOM 927 C ARG A 57 0.381 -1.684 -4.493 1.00 4.23 C ATOM 928 O ARG A 57 -0.086 -2.346 -5.419 1.00 55.31 O ATOM 929 CB ARG A 57 -1.147 0.258 -3.963 1.00 61.24 C ATOM 930 CG ARG A 57 -0.156 1.421 -4.044 1.00 1.12 C ATOM 931 CD ARG A 57 -0.783 2.661 -4.659 1.00 32.33 C ATOM 932 NE ARG A 57 -1.060 2.503 -6.091 1.00 74.34 N ATOM 933 CZ ARG A 57 -1.440 3.502 -6.903 1.00 54.21 C ATOM 934 NH1 ARG A 57 -1.598 4.737 -6.432 1.00 65.13 N ATOM 935 NH2 ARG A 57 -1.648 3.261 -8.193 1.00 23.35 N ATOM 0 H ARG A 57 0.325 0.138 -1.948 1.00 22.51 H new ATOM 0 HA ARG A 57 -1.344 -1.787 -3.269 1.00 35.53 H new ATOM 0 HB2 ARG A 57 -1.564 0.084 -4.955 1.00 61.24 H new ATOM 0 HB3 ARG A 57 -1.974 0.548 -3.315 1.00 61.24 H new ATOM 0 HG2 ARG A 57 0.209 1.657 -3.044 1.00 1.12 H new ATOM 0 HG3 ARG A 57 0.708 1.120 -4.636 1.00 1.12 H new ATOM 0 HD2 ARG A 57 -1.712 2.891 -4.137 1.00 32.33 H new ATOM 0 HD3 ARG A 57 -0.116 3.511 -4.513 1.00 32.33 H new ATOM 0 HE ARG A 57 -0.957 1.573 -6.496 1.00 74.34 H new ATOM 0 HH11 ARG A 57 -1.430 4.932 -5.445 1.00 65.13 H new ATOM 0 HH12 ARG A 57 -1.887 5.489 -7.058 1.00 65.13 H new ATOM 0 HH21 ARG A 57 -1.519 2.319 -8.563 1.00 23.35 H new ATOM 0 HH22 ARG A 57 -1.937 4.018 -8.813 1.00 23.35 H new ATOM 949 N ASP A 58 1.683 -1.465 -4.346 1.00 20.13 N ATOM 950 CA ASP A 58 2.671 -2.005 -5.276 1.00 2.02 C ATOM 951 C ASP A 58 2.997 -3.469 -4.978 1.00 40.51 C ATOM 952 O ASP A 58 3.023 -4.304 -5.879 1.00 24.32 O ATOM 953 CB ASP A 58 3.916 -1.136 -5.257 1.00 14.43 C ATOM 954 CG ASP A 58 3.892 -0.109 -6.362 1.00 53.13 C ATOM 955 OD1 ASP A 58 2.798 0.414 -6.664 1.00 43.32 O ATOM 956 OD2 ASP A 58 4.962 0.177 -6.936 1.00 23.30 O ATOM 0 H ASP A 58 2.082 -0.913 -3.586 1.00 20.13 H new ATOM 0 HA ASP A 58 2.247 -1.987 -6.280 1.00 2.02 H new ATOM 0 HB2 ASP A 58 3.995 -0.633 -4.293 1.00 14.43 H new ATOM 0 HB3 ASP A 58 4.801 -1.764 -5.362 1.00 14.43 H new ATOM 961 N ALA A 59 3.197 -3.766 -3.693 1.00 14.41 N ATOM 962 CA ALA A 59 3.454 -5.126 -3.187 1.00 32.00 C ATOM 963 C ALA A 59 2.209 -6.031 -3.320 1.00 12.20 C ATOM 964 O ALA A 59 2.291 -7.279 -3.304 1.00 2.33 O ATOM 965 CB ALA A 59 3.944 -5.040 -1.757 1.00 23.54 C ATOM 0 H ALA A 59 3.186 -3.060 -2.957 1.00 14.41 H new ATOM 0 HA ALA A 59 4.230 -5.591 -3.795 1.00 32.00 H new ATOM 0 HB1 ALA A 59 4.136 -6.043 -1.377 1.00 23.54 H new ATOM 0 HB2 ALA A 59 4.864 -4.457 -1.722 1.00 23.54 H new ATOM 0 HB3 ALA A 59 3.185 -4.558 -1.141 1.00 23.54 H new ATOM 971 N ALA A 60 1.048 -5.371 -3.365 1.00 34.50 N ATOM 972 CA ALA A 60 -0.246 -5.998 -3.645 1.00 34.51 C ATOM 973 C ALA A 60 -0.276 -6.832 -4.948 1.00 51.45 C ATOM 974 O ALA A 60 -1.167 -7.646 -5.094 1.00 51.24 O ATOM 975 CB ALA A 60 -1.357 -4.953 -3.655 1.00 13.23 C ATOM 0 H ALA A 60 0.981 -4.366 -3.205 1.00 34.50 H new ATOM 0 HA ALA A 60 -0.413 -6.706 -2.834 1.00 34.51 H new ATOM 0 HB1 ALA A 60 -2.311 -5.438 -3.865 1.00 13.23 H new ATOM 0 HB2 ALA A 60 -1.405 -4.464 -2.682 1.00 13.23 H new ATOM 0 HB3 ALA A 60 -1.151 -4.210 -4.425 1.00 13.23 H new ATOM 981 N ASP A 61 0.622 -6.555 -5.920 1.00 54.32 N ATOM 982 CA ASP A 61 0.794 -7.417 -7.114 1.00 44.21 C ATOM 983 C ASP A 61 1.288 -8.820 -6.734 1.00 40.44 C ATOM 984 O ASP A 61 0.722 -9.839 -7.173 1.00 24.35 O ATOM 985 CB ASP A 61 1.753 -6.766 -8.111 1.00 4.20 C ATOM 986 CG ASP A 61 1.016 -6.088 -9.244 1.00 45.34 C ATOM 987 OD1 ASP A 61 0.317 -5.093 -8.985 1.00 32.31 O ATOM 988 OD2 ASP A 61 1.066 -6.601 -10.382 1.00 32.20 O ATOM 0 H ASP A 61 1.239 -5.743 -5.902 1.00 54.32 H new ATOM 0 HA ASP A 61 -0.183 -7.526 -7.584 1.00 44.21 H new ATOM 0 HB2 ASP A 61 2.374 -6.035 -7.593 1.00 4.20 H new ATOM 0 HB3 ASP A 61 2.424 -7.523 -8.516 1.00 4.20 H new ATOM 993 N ALA A 62 2.315 -8.867 -5.873 1.00 31.33 N ATOM 994 CA ALA A 62 2.825 -10.126 -5.330 1.00 1.03 C ATOM 995 C ALA A 62 1.765 -10.791 -4.451 1.00 11.32 C ATOM 996 O ALA A 62 1.553 -12.006 -4.534 1.00 22.21 O ATOM 997 CB ALA A 62 4.120 -9.920 -4.549 1.00 61.42 C ATOM 0 H ALA A 62 2.809 -8.040 -5.538 1.00 31.33 H new ATOM 0 HA ALA A 62 3.052 -10.784 -6.169 1.00 1.03 H new ATOM 0 HB1 ALA A 62 4.467 -10.878 -4.161 1.00 61.42 H new ATOM 0 HB2 ALA A 62 4.879 -9.498 -5.208 1.00 61.42 H new ATOM 0 HB3 ALA A 62 3.940 -9.237 -3.719 1.00 61.42 H new ATOM 1003 N ILE A 63 1.042 -9.980 -3.658 1.00 2.24 N ATOM 1004 CA ILE A 63 -0.027 -10.528 -2.819 1.00 0.25 C ATOM 1005 C ILE A 63 -1.198 -11.073 -3.679 1.00 1.53 C ATOM 1006 O ILE A 63 -1.842 -12.028 -3.277 1.00 4.44 O ATOM 1007 CB ILE A 63 -0.477 -9.518 -1.696 1.00 13.43 C ATOM 1008 CG1 ILE A 63 -0.579 -10.235 -0.324 1.00 1.03 C ATOM 1009 CG2 ILE A 63 -1.790 -8.788 -2.016 1.00 12.52 C ATOM 1010 CD1 ILE A 63 -1.777 -11.151 -0.135 1.00 4.31 C ATOM 0 H ILE A 63 1.176 -8.972 -3.584 1.00 2.24 H new ATOM 0 HA ILE A 63 0.375 -11.387 -2.283 1.00 0.25 H new ATOM 0 HB ILE A 63 0.298 -8.752 -1.651 1.00 13.43 H new ATOM 0 HG12 ILE A 63 0.328 -10.821 -0.175 1.00 1.03 H new ATOM 0 HG13 ILE A 63 -0.600 -9.477 0.459 1.00 1.03 H new ATOM 0 HG21 ILE A 63 -2.038 -8.110 -1.199 1.00 12.52 H new ATOM 0 HG22 ILE A 63 -1.674 -8.219 -2.938 1.00 12.52 H new ATOM 0 HG23 ILE A 63 -2.591 -9.517 -2.138 1.00 12.52 H new ATOM 0 HD11 ILE A 63 -1.742 -11.595 0.860 1.00 4.31 H new ATOM 0 HD12 ILE A 63 -2.696 -10.575 -0.243 1.00 4.31 H new ATOM 0 HD13 ILE A 63 -1.753 -11.940 -0.886 1.00 4.31 H new ATOM 1022 N LYS A 64 -1.461 -10.479 -4.863 1.00 51.34 N ATOM 1023 CA LYS A 64 -2.512 -10.996 -5.747 1.00 21.44 C ATOM 1024 C LYS A 64 -2.057 -12.207 -6.569 1.00 52.00 C ATOM 1025 O LYS A 64 -2.897 -12.982 -7.029 1.00 73.54 O ATOM 1026 CB LYS A 64 -3.178 -9.896 -6.615 1.00 24.12 C ATOM 1027 CG LYS A 64 -2.307 -9.251 -7.689 1.00 52.30 C ATOM 1028 CD LYS A 64 -2.339 -9.994 -9.023 1.00 40.10 C ATOM 1029 CE LYS A 64 -1.236 -9.521 -9.945 1.00 71.00 C ATOM 1030 NZ LYS A 64 -1.428 -8.122 -10.376 1.00 1.04 N ATOM 0 H LYS A 64 -0.969 -9.659 -5.218 1.00 51.34 H new ATOM 0 HA LYS A 64 -3.297 -11.361 -5.084 1.00 21.44 H new ATOM 0 HB2 LYS A 64 -4.053 -10.329 -7.101 1.00 24.12 H new ATOM 0 HB3 LYS A 64 -3.538 -9.110 -5.951 1.00 24.12 H new ATOM 0 HG2 LYS A 64 -2.637 -8.224 -7.846 1.00 52.30 H new ATOM 0 HG3 LYS A 64 -1.278 -9.204 -7.332 1.00 52.30 H new ATOM 0 HD2 LYS A 64 -2.234 -11.065 -8.847 1.00 40.10 H new ATOM 0 HD3 LYS A 64 -3.306 -9.843 -9.502 1.00 40.10 H new ATOM 0 HE2 LYS A 64 -0.276 -9.614 -9.437 1.00 71.00 H new ATOM 0 HE3 LYS A 64 -1.197 -10.167 -10.822 1.00 71.00 H new ATOM 0 HZ1 LYS A 64 -0.502 -7.661 -10.482 1.00 1.04 H new ATOM 0 HZ2 LYS A 64 -1.929 -8.105 -11.287 1.00 1.04 H new ATOM 0 HZ3 LYS A 64 -1.988 -7.613 -9.663 1.00 1.04 H new ATOM 1044 N GLU A 65 -0.741 -12.379 -6.793 1.00 41.41 N ATOM 1045 CA GLU A 65 -0.281 -13.632 -7.409 1.00 41.24 C ATOM 1046 C GLU A 65 -0.161 -14.764 -6.365 1.00 42.13 C ATOM 1047 O GLU A 65 -0.126 -15.937 -6.745 1.00 14.12 O ATOM 1048 CB GLU A 65 1.019 -13.490 -8.218 1.00 21.12 C ATOM 1049 CG GLU A 65 2.232 -13.142 -7.402 1.00 72.21 C ATOM 1050 CD GLU A 65 3.522 -13.207 -8.185 1.00 3.11 C ATOM 1051 OE1 GLU A 65 4.142 -14.298 -8.207 1.00 24.41 O ATOM 1052 OE2 GLU A 65 3.918 -12.178 -8.761 1.00 2.43 O ATOM 0 H GLU A 65 -0.011 -11.702 -6.569 1.00 41.41 H new ATOM 0 HA GLU A 65 -1.054 -13.900 -8.129 1.00 41.24 H new ATOM 0 HB2 GLU A 65 1.208 -14.426 -8.744 1.00 21.12 H new ATOM 0 HB3 GLU A 65 0.876 -12.721 -8.977 1.00 21.12 H new ATOM 0 HG2 GLU A 65 2.112 -12.137 -6.997 1.00 72.21 H new ATOM 0 HG3 GLU A 65 2.297 -13.822 -6.553 1.00 72.21 H new ATOM 1059 N LYS A 66 -0.076 -14.429 -5.060 1.00 34.34 N ATOM 1060 CA LYS A 66 -0.184 -15.467 -4.011 1.00 23.22 C ATOM 1061 C LYS A 66 -1.665 -15.633 -3.517 1.00 55.22 C ATOM 1062 O LYS A 66 -1.971 -16.526 -2.729 1.00 62.43 O ATOM 1063 CB LYS A 66 0.749 -15.157 -2.822 1.00 64.14 C ATOM 1064 CG LYS A 66 2.181 -14.739 -3.187 1.00 64.41 C ATOM 1065 CD LYS A 66 2.999 -15.827 -3.881 1.00 64.11 C ATOM 1066 CE LYS A 66 4.301 -15.251 -4.425 1.00 64.03 C ATOM 1067 NZ LYS A 66 5.168 -16.276 -5.068 1.00 11.33 N ATOM 0 H LYS A 66 0.063 -13.480 -4.714 1.00 34.34 H new ATOM 0 HA LYS A 66 0.131 -16.411 -4.457 1.00 23.22 H new ATOM 0 HB2 LYS A 66 0.298 -14.361 -2.229 1.00 64.14 H new ATOM 0 HB3 LYS A 66 0.800 -16.040 -2.185 1.00 64.14 H new ATOM 0 HG2 LYS A 66 2.137 -13.865 -3.837 1.00 64.41 H new ATOM 0 HG3 LYS A 66 2.700 -14.435 -2.278 1.00 64.41 H new ATOM 0 HD2 LYS A 66 3.216 -16.631 -3.178 1.00 64.11 H new ATOM 0 HD3 LYS A 66 2.419 -16.263 -4.695 1.00 64.11 H new ATOM 0 HE2 LYS A 66 4.071 -14.471 -5.151 1.00 64.03 H new ATOM 0 HE3 LYS A 66 4.850 -14.778 -3.611 1.00 64.03 H new ATOM 0 HZ1 LYS A 66 6.108 -15.871 -5.250 1.00 11.33 H new ATOM 0 HZ2 LYS A 66 5.261 -17.097 -4.437 1.00 11.33 H new ATOM 0 HZ3 LYS A 66 4.741 -16.577 -5.967 1.00 11.33 H new ATOM 1081 N ASP A 67 -2.550 -14.751 -4.009 1.00 34.43 N ATOM 1082 CA ASP A 67 -4.017 -14.716 -3.724 1.00 64.51 C ATOM 1083 C ASP A 67 -4.754 -15.955 -4.252 1.00 12.11 C ATOM 1084 O ASP A 67 -4.318 -16.572 -5.233 1.00 71.21 O ATOM 1085 CB ASP A 67 -4.624 -13.418 -4.282 1.00 54.12 C ATOM 1086 CG ASP A 67 -6.103 -13.237 -4.009 1.00 3.40 C ATOM 1087 OD1 ASP A 67 -6.483 -13.187 -2.825 1.00 33.41 O ATOM 1088 OD2 ASP A 67 -6.881 -13.155 -4.985 1.00 11.32 O ATOM 0 H ASP A 67 -2.264 -14.006 -4.644 1.00 34.43 H new ATOM 0 HA ASP A 67 -4.146 -14.732 -2.642 1.00 64.51 H new ATOM 0 HB2 ASP A 67 -4.085 -12.571 -3.859 1.00 54.12 H new ATOM 0 HB3 ASP A 67 -4.462 -13.392 -5.360 1.00 54.12 H new ATOM 1093 N GLY A 68 -5.885 -16.312 -3.622 1.00 74.22 N ATOM 1094 CA GLY A 68 -6.431 -17.636 -3.815 1.00 43.41 C ATOM 1095 C GLY A 68 -6.399 -18.495 -2.565 1.00 53.02 C ATOM 1096 O GLY A 68 -6.375 -19.722 -2.666 1.00 42.22 O ATOM 0 H GLY A 68 -6.417 -15.710 -2.993 1.00 74.22 H new ATOM 0 HA2 GLY A 68 -7.462 -17.548 -4.159 1.00 43.41 H new ATOM 0 HA3 GLY A 68 -5.873 -18.138 -4.605 1.00 43.41 H new ATOM 1100 N CYS A 69 -6.363 -17.832 -1.397 1.00 52.25 N ATOM 1101 CA CYS A 69 -6.098 -18.476 -0.108 1.00 65.24 C ATOM 1102 C CYS A 69 -7.106 -19.584 0.234 1.00 12.04 C ATOM 1103 O CYS A 69 -8.329 -19.423 0.117 1.00 43.54 O ATOM 1104 CB CYS A 69 -6.109 -17.397 0.991 1.00 51.15 C ATOM 1105 SG CYS A 69 -7.638 -16.426 1.098 1.00 23.23 S ATOM 0 H CYS A 69 -6.519 -16.827 -1.325 1.00 52.25 H new ATOM 0 HA CYS A 69 -5.123 -18.960 -0.173 1.00 65.24 H new ATOM 0 HB2 CYS A 69 -5.934 -17.878 1.953 1.00 51.15 H new ATOM 0 HB3 CYS A 69 -5.275 -16.716 0.819 1.00 51.15 H new ATOM 0 HG CYS A 69 -8.650 -17.174 0.772 1.00 23.23 H new ATOM 1111 N ASP A 70 -6.545 -20.717 0.668 1.00 22.42 N ATOM 1112 CA ASP A 70 -7.306 -21.940 0.846 1.00 25.54 C ATOM 1113 C ASP A 70 -6.986 -22.656 2.165 1.00 2.33 C ATOM 1114 O ASP A 70 -5.827 -22.623 2.661 1.00 44.31 O ATOM 1115 CB ASP A 70 -7.060 -22.859 -0.338 1.00 51.32 C ATOM 1116 CG ASP A 70 -8.357 -23.362 -0.937 1.00 23.33 C ATOM 1117 OD1 ASP A 70 -9.008 -24.221 -0.306 1.00 14.50 O ATOM 1118 OD2 ASP A 70 -8.731 -22.886 -2.033 1.00 13.13 O ATOM 0 H ASP A 70 -5.556 -20.804 0.902 1.00 22.42 H new ATOM 0 HA ASP A 70 -8.361 -21.670 0.896 1.00 25.54 H new ATOM 0 HB2 ASP A 70 -6.490 -22.327 -1.099 1.00 51.32 H new ATOM 0 HB3 ASP A 70 -6.453 -23.707 -0.020 1.00 51.32 H new ATOM 1123 N PHE A 71 -8.033 -23.339 2.669 1.00 62.32 N ATOM 1124 CA PHE A 71 -8.077 -24.023 3.974 1.00 12.12 C ATOM 1125 C PHE A 71 -8.893 -25.338 3.891 1.00 62.40 C ATOM 1126 O PHE A 71 -9.841 -25.410 3.101 1.00 75.34 O ATOM 1127 CB PHE A 71 -8.600 -23.109 5.112 1.00 55.53 C ATOM 1128 CG PHE A 71 -9.818 -22.274 4.785 1.00 72.31 C ATOM 1129 CD1 PHE A 71 -11.096 -22.789 4.935 1.00 44.42 C ATOM 1130 CD2 PHE A 71 -9.674 -20.964 4.351 1.00 74.25 C ATOM 1131 CE1 PHE A 71 -12.204 -22.017 4.649 1.00 41.24 C ATOM 1132 CE2 PHE A 71 -10.779 -20.187 4.068 1.00 53.10 C ATOM 1133 CZ PHE A 71 -12.046 -20.714 4.218 1.00 52.31 C ATOM 0 H PHE A 71 -8.909 -23.432 2.154 1.00 62.32 H new ATOM 0 HA PHE A 71 -7.047 -24.276 4.227 1.00 12.12 H new ATOM 0 HB2 PHE A 71 -8.833 -23.733 5.974 1.00 55.53 H new ATOM 0 HB3 PHE A 71 -7.794 -22.439 5.412 1.00 55.53 H new ATOM 0 HD1 PHE A 71 -11.226 -23.804 5.279 1.00 44.42 H new ATOM 0 HD2 PHE A 71 -8.685 -20.547 4.233 1.00 74.25 H new ATOM 0 HE1 PHE A 71 -13.195 -22.432 4.762 1.00 41.24 H new ATOM 0 HE2 PHE A 71 -10.653 -19.169 3.730 1.00 53.10 H new ATOM 0 HZ PHE A 71 -12.913 -20.108 3.999 1.00 52.31 H new ATOM 1143 N GLU A 72 -8.476 -26.380 4.668 1.00 63.45 N ATOM 1144 CA GLU A 72 -9.146 -27.722 4.714 1.00 32.13 C ATOM 1145 C GLU A 72 -8.914 -28.592 3.475 1.00 75.54 C ATOM 1146 O GLU A 72 -9.805 -28.806 2.648 1.00 41.40 O ATOM 1147 CB GLU A 72 -10.645 -27.675 5.059 1.00 12.05 C ATOM 1148 CG GLU A 72 -10.943 -27.267 6.494 1.00 22.35 C ATOM 1149 CD GLU A 72 -12.296 -27.754 6.959 1.00 52.20 C ATOM 1150 OE1 GLU A 72 -13.307 -27.078 6.676 1.00 0.33 O ATOM 1151 OE2 GLU A 72 -12.348 -28.820 7.610 1.00 55.31 O ATOM 0 H GLU A 72 -7.664 -26.316 5.283 1.00 63.45 H new ATOM 0 HA GLU A 72 -8.637 -28.205 5.548 1.00 32.13 H new ATOM 0 HB2 GLU A 72 -11.140 -26.976 4.384 1.00 12.05 H new ATOM 0 HB3 GLU A 72 -11.080 -28.658 4.875 1.00 12.05 H new ATOM 0 HG2 GLU A 72 -10.170 -27.666 7.151 1.00 22.35 H new ATOM 0 HG3 GLU A 72 -10.902 -26.181 6.577 1.00 22.35 H new ATOM 1158 N GLY A 73 -7.664 -29.024 3.339 1.00 15.44 N ATOM 1159 CA GLY A 73 -7.255 -29.938 2.274 1.00 1.13 C ATOM 1160 C GLY A 73 -6.565 -29.254 1.115 1.00 73.21 C ATOM 1161 O GLY A 73 -5.980 -29.920 0.259 1.00 43.24 O ATOM 0 H GLY A 73 -6.905 -28.751 3.963 1.00 15.44 H new ATOM 0 HA2 GLY A 73 -6.585 -30.690 2.691 1.00 1.13 H new ATOM 0 HA3 GLY A 73 -8.134 -30.464 1.902 1.00 1.13 H new ATOM 1165 N ASN A 74 -6.616 -27.938 1.093 1.00 13.14 N ATOM 1166 CA ASN A 74 -5.624 -27.149 0.395 1.00 34.53 C ATOM 1167 C ASN A 74 -4.972 -26.248 1.420 1.00 21.31 C ATOM 1168 O ASN A 74 -5.658 -25.555 2.162 1.00 1.31 O ATOM 1169 CB ASN A 74 -6.222 -26.329 -0.752 1.00 64.51 C ATOM 1170 CG ASN A 74 -6.641 -27.173 -1.943 1.00 1.40 C ATOM 1171 OD1 ASN A 74 -7.779 -27.630 -2.028 1.00 30.35 O ATOM 1172 ND2 ASN A 74 -5.720 -27.388 -2.871 1.00 40.13 N ATOM 0 H ASN A 74 -7.341 -27.389 1.555 1.00 13.14 H new ATOM 0 HA ASN A 74 -4.894 -27.812 -0.070 1.00 34.53 H new ATOM 0 HB2 ASN A 74 -7.088 -25.780 -0.383 1.00 64.51 H new ATOM 0 HB3 ASN A 74 -5.491 -25.589 -1.079 1.00 64.51 H new ATOM 0 HD21 ASN A 74 -5.945 -27.950 -3.692 1.00 40.13 H new ATOM 0 HD22 ASN A 74 -4.786 -26.991 -2.764 1.00 40.13 H new ATOM 1179 N LYS A 75 -3.666 -26.352 1.544 1.00 72.04 N ATOM 1180 CA LYS A 75 -2.907 -25.523 2.471 1.00 1.12 C ATOM 1181 C LYS A 75 -2.351 -24.302 1.753 1.00 40.24 C ATOM 1182 O LYS A 75 -1.361 -24.453 1.043 1.00 45.43 O ATOM 1183 CB LYS A 75 -1.753 -26.339 3.081 1.00 13.21 C ATOM 1184 CG LYS A 75 -2.046 -27.035 4.416 1.00 51.32 C ATOM 1185 CD LYS A 75 -3.043 -28.189 4.304 1.00 45.30 C ATOM 1186 CE LYS A 75 -4.395 -27.846 4.920 1.00 1.11 C ATOM 1187 NZ LYS A 75 -4.290 -27.573 6.379 1.00 74.32 N ATOM 0 H LYS A 75 -3.098 -27.009 1.010 1.00 72.04 H new ATOM 0 HA LYS A 75 -3.572 -25.191 3.268 1.00 1.12 H new ATOM 0 HB2 LYS A 75 -1.451 -27.097 2.359 1.00 13.21 H new ATOM 0 HB3 LYS A 75 -0.900 -25.674 3.221 1.00 13.21 H new ATOM 0 HG2 LYS A 75 -1.112 -27.413 4.831 1.00 51.32 H new ATOM 0 HG3 LYS A 75 -2.433 -26.300 5.121 1.00 51.32 H new ATOM 0 HD2 LYS A 75 -3.180 -28.448 3.254 1.00 45.30 H new ATOM 0 HD3 LYS A 75 -2.633 -29.070 4.799 1.00 45.30 H new ATOM 0 HE2 LYS A 75 -4.812 -26.973 4.417 1.00 1.11 H new ATOM 0 HE3 LYS A 75 -5.088 -28.671 4.754 1.00 1.11 H new ATOM 0 HZ1 LYS A 75 -5.206 -27.761 6.834 1.00 74.32 H new ATOM 0 HZ2 LYS A 75 -3.563 -28.189 6.796 1.00 74.32 H new ATOM 0 HZ3 LYS A 75 -4.027 -26.578 6.528 1.00 74.32 H new ATOM 1201 N LEU A 76 -2.972 -23.105 1.924 1.00 2.42 N ATOM 1202 CA LEU A 76 -2.457 -21.889 1.240 1.00 31.21 C ATOM 1203 C LEU A 76 -3.087 -20.585 1.748 1.00 40.32 C ATOM 1204 O LEU A 76 -3.765 -19.929 0.982 1.00 62.23 O ATOM 1205 CB LEU A 76 -2.713 -21.993 -0.292 1.00 71.24 C ATOM 1206 CG LEU A 76 -1.470 -22.145 -1.186 1.00 3.54 C ATOM 1207 CD1 LEU A 76 -1.812 -22.923 -2.449 1.00 64.33 C ATOM 1208 CD2 LEU A 76 -0.897 -20.783 -1.565 1.00 53.13 C ATOM 0 H LEU A 76 -3.797 -22.957 2.505 1.00 2.42 H new ATOM 0 HA LEU A 76 -1.391 -21.849 1.464 1.00 31.21 H new ATOM 0 HB2 LEU A 76 -3.369 -22.845 -0.471 1.00 71.24 H new ATOM 0 HB3 LEU A 76 -3.254 -21.102 -0.609 1.00 71.24 H new ATOM 0 HG LEU A 76 -0.719 -22.694 -0.618 1.00 3.54 H new ATOM 0 HD11 LEU A 76 -0.921 -23.020 -3.069 1.00 64.33 H new ATOM 0 HD12 LEU A 76 -2.176 -23.914 -2.178 1.00 64.33 H new ATOM 0 HD13 LEU A 76 -2.585 -22.392 -3.005 1.00 64.33 H new ATOM 0 HD21 LEU A 76 -0.019 -20.920 -2.197 1.00 53.13 H new ATOM 0 HD22 LEU A 76 -1.649 -20.210 -2.108 1.00 53.13 H new ATOM 0 HD23 LEU A 76 -0.613 -20.244 -0.661 1.00 53.13 H new ATOM 1220 N ARG A 77 -2.843 -20.143 2.986 1.00 53.22 N ATOM 1221 CA ARG A 77 -3.539 -18.936 3.458 1.00 51.24 C ATOM 1222 C ARG A 77 -2.650 -17.699 3.256 1.00 12.40 C ATOM 1223 O ARG A 77 -1.622 -17.573 3.862 1.00 73.32 O ATOM 1224 CB ARG A 77 -3.946 -19.136 4.939 1.00 14.35 C ATOM 1225 CG ARG A 77 -4.324 -17.879 5.721 1.00 35.43 C ATOM 1226 CD ARG A 77 -5.646 -17.289 5.276 1.00 41.20 C ATOM 1227 NE ARG A 77 -6.009 -16.138 6.121 1.00 21.45 N ATOM 1228 CZ ARG A 77 -6.936 -15.224 5.821 1.00 21.42 C ATOM 1229 NH1 ARG A 77 -7.631 -15.308 4.681 1.00 72.11 N ATOM 1230 NH2 ARG A 77 -7.159 -14.191 6.651 1.00 61.41 N ATOM 0 H ARG A 77 -2.203 -20.575 3.652 1.00 53.22 H new ATOM 0 HA ARG A 77 -4.447 -18.770 2.878 1.00 51.24 H new ATOM 0 HB2 ARG A 77 -4.791 -19.823 4.970 1.00 14.35 H new ATOM 0 HB3 ARG A 77 -3.120 -19.623 5.456 1.00 14.35 H new ATOM 0 HG2 ARG A 77 -4.377 -18.119 6.783 1.00 35.43 H new ATOM 0 HG3 ARG A 77 -3.539 -17.132 5.602 1.00 35.43 H new ATOM 0 HD2 ARG A 77 -5.579 -16.976 4.234 1.00 41.20 H new ATOM 0 HD3 ARG A 77 -6.426 -18.048 5.331 1.00 41.20 H new ATOM 0 HE ARG A 77 -5.513 -16.030 7.006 1.00 21.45 H new ATOM 0 HH11 ARG A 77 -7.455 -16.075 4.032 1.00 72.11 H new ATOM 0 HH12 ARG A 77 -8.337 -14.605 4.461 1.00 72.11 H new ATOM 0 HH21 ARG A 77 -6.620 -14.103 7.512 1.00 61.41 H new ATOM 0 HH22 ARG A 77 -7.867 -13.495 6.420 1.00 61.41 H new ATOM 1244 N VAL A 78 -3.033 -16.821 2.339 1.00 20.12 N ATOM 1245 CA VAL A 78 -2.324 -15.553 2.118 1.00 10.01 C ATOM 1246 C VAL A 78 -3.358 -14.415 2.117 1.00 30.54 C ATOM 1247 O VAL A 78 -4.241 -14.412 1.259 1.00 42.55 O ATOM 1248 CB VAL A 78 -1.563 -15.517 0.746 1.00 5.23 C ATOM 1249 CG1 VAL A 78 -0.485 -14.443 0.757 1.00 60.02 C ATOM 1250 CG2 VAL A 78 -0.945 -16.867 0.387 1.00 61.42 C ATOM 0 H VAL A 78 -3.838 -16.959 1.727 1.00 20.12 H new ATOM 0 HA VAL A 78 -1.588 -15.443 2.914 1.00 10.01 H new ATOM 0 HB VAL A 78 -2.304 -15.280 -0.017 1.00 5.23 H new ATOM 0 HG11 VAL A 78 0.030 -14.435 -0.203 1.00 60.02 H new ATOM 0 HG12 VAL A 78 -0.943 -13.469 0.931 1.00 60.02 H new ATOM 0 HG13 VAL A 78 0.231 -14.654 1.551 1.00 60.02 H new ATOM 0 HG21 VAL A 78 -0.430 -16.788 -0.571 1.00 61.42 H new ATOM 0 HG22 VAL A 78 -0.233 -17.158 1.159 1.00 61.42 H new ATOM 0 HG23 VAL A 78 -1.730 -17.619 0.316 1.00 61.42 H new ATOM 1260 N GLU A 79 -3.265 -13.456 3.056 1.00 61.13 N ATOM 1261 CA GLU A 79 -4.198 -12.316 3.034 1.00 4.34 C ATOM 1262 C GLU A 79 -3.569 -11.038 3.609 1.00 31.40 C ATOM 1263 O GLU A 79 -2.686 -11.084 4.499 1.00 40.44 O ATOM 1264 CB GLU A 79 -5.522 -12.639 3.771 1.00 64.11 C ATOM 1265 CG GLU A 79 -6.660 -11.674 3.446 1.00 64.13 C ATOM 1266 CD GLU A 79 -7.905 -11.982 4.241 1.00 53.11 C ATOM 1267 OE1 GLU A 79 -7.997 -11.524 5.400 1.00 62.42 O ATOM 1268 OE2 GLU A 79 -8.777 -12.713 3.727 1.00 3.14 O ATOM 0 H GLU A 79 -2.581 -13.444 3.812 1.00 61.13 H new ATOM 0 HA GLU A 79 -4.426 -12.134 1.984 1.00 4.34 H new ATOM 0 HB2 GLU A 79 -5.832 -13.652 3.514 1.00 64.11 H new ATOM 0 HB3 GLU A 79 -5.341 -12.624 4.846 1.00 64.11 H new ATOM 0 HG2 GLU A 79 -6.340 -10.653 3.654 1.00 64.13 H new ATOM 0 HG3 GLU A 79 -6.887 -11.726 2.381 1.00 64.13 H new ATOM 1275 N VAL A 80 -3.996 -9.899 3.046 1.00 3.14 N ATOM 1276 CA VAL A 80 -3.696 -8.591 3.617 1.00 22.32 C ATOM 1277 C VAL A 80 -4.767 -8.166 4.641 1.00 4.31 C ATOM 1278 O VAL A 80 -5.964 -8.166 4.349 1.00 45.31 O ATOM 1279 CB VAL A 80 -3.522 -7.496 2.520 1.00 14.31 C ATOM 1280 CG1 VAL A 80 -2.348 -7.866 1.653 1.00 33.34 C ATOM 1281 CG2 VAL A 80 -4.757 -7.317 1.637 1.00 3.04 C ATOM 0 H VAL A 80 -4.552 -9.864 2.192 1.00 3.14 H new ATOM 0 HA VAL A 80 -2.743 -8.689 4.137 1.00 22.32 H new ATOM 0 HB VAL A 80 -3.363 -6.548 3.034 1.00 14.31 H new ATOM 0 HG11 VAL A 80 -2.213 -7.109 0.880 1.00 33.34 H new ATOM 0 HG12 VAL A 80 -1.448 -7.924 2.265 1.00 33.34 H new ATOM 0 HG13 VAL A 80 -2.532 -8.833 1.185 1.00 33.34 H new ATOM 0 HG21 VAL A 80 -4.566 -6.540 0.897 1.00 3.04 H new ATOM 0 HG22 VAL A 80 -4.980 -8.255 1.129 1.00 3.04 H new ATOM 0 HG23 VAL A 80 -5.607 -7.028 2.255 1.00 3.04 H new ATOM 1291 N PRO A 81 -4.358 -7.844 5.877 1.00 43.25 N ATOM 1292 CA PRO A 81 -5.238 -7.175 6.840 1.00 3.15 C ATOM 1293 C PRO A 81 -5.230 -5.637 6.732 1.00 71.11 C ATOM 1294 O PRO A 81 -5.750 -4.957 7.621 1.00 61.32 O ATOM 1295 CB PRO A 81 -4.672 -7.633 8.189 1.00 2.12 C ATOM 1296 CG PRO A 81 -3.228 -7.911 7.945 1.00 34.31 C ATOM 1297 CD PRO A 81 -3.081 -8.254 6.487 1.00 12.01 C ATOM 0 HA PRO A 81 -6.284 -7.435 6.676 1.00 3.15 H new ATOM 0 HB2 PRO A 81 -4.800 -6.863 8.949 1.00 2.12 H new ATOM 0 HB3 PRO A 81 -5.187 -8.524 8.548 1.00 2.12 H new ATOM 0 HG2 PRO A 81 -2.621 -7.042 8.199 1.00 34.31 H new ATOM 0 HG3 PRO A 81 -2.884 -8.735 8.571 1.00 34.31 H new ATOM 0 HD2 PRO A 81 -2.240 -7.725 6.038 1.00 12.01 H new ATOM 0 HD3 PRO A 81 -2.899 -9.320 6.347 1.00 12.01 H new ATOM 1305 N PHE A 82 -4.649 -5.082 5.657 1.00 71.44 N ATOM 1306 CA PHE A 82 -4.659 -3.628 5.474 1.00 63.10 C ATOM 1307 C PHE A 82 -5.704 -3.163 4.448 1.00 15.11 C ATOM 1308 O PHE A 82 -6.174 -2.029 4.535 1.00 63.24 O ATOM 1309 CB PHE A 82 -3.251 -3.053 5.139 1.00 22.34 C ATOM 1310 CG PHE A 82 -2.506 -3.647 3.962 1.00 34.21 C ATOM 1311 CD1 PHE A 82 -2.902 -3.415 2.660 1.00 22.30 C ATOM 1312 CD2 PHE A 82 -1.376 -4.406 4.167 1.00 54.51 C ATOM 1313 CE1 PHE A 82 -2.199 -3.929 1.598 1.00 12.33 C ATOM 1314 CE2 PHE A 82 -0.659 -4.918 3.114 1.00 11.43 C ATOM 1315 CZ PHE A 82 -1.072 -4.681 1.825 1.00 12.43 C ATOM 0 H PHE A 82 -4.178 -5.606 4.919 1.00 71.44 H new ATOM 0 HA PHE A 82 -4.953 -3.219 6.441 1.00 63.10 H new ATOM 0 HB2 PHE A 82 -3.360 -1.983 4.961 1.00 22.34 H new ATOM 0 HB3 PHE A 82 -2.624 -3.166 6.023 1.00 22.34 H new ATOM 0 HD1 PHE A 82 -3.782 -2.818 2.473 1.00 22.30 H new ATOM 0 HD2 PHE A 82 -1.047 -4.603 5.177 1.00 54.51 H new ATOM 0 HE1 PHE A 82 -2.531 -3.743 0.587 1.00 12.33 H new ATOM 0 HE2 PHE A 82 0.228 -5.506 3.298 1.00 11.43 H new ATOM 0 HZ PHE A 82 -0.513 -5.084 0.994 1.00 12.43 H new ATOM 1325 N ASN A 83 -6.059 -4.064 3.503 1.00 72.22 N ATOM 1326 CA ASN A 83 -6.994 -3.777 2.381 1.00 71.01 C ATOM 1327 C ASN A 83 -6.558 -2.573 1.519 1.00 1.14 C ATOM 1328 O ASN A 83 -7.179 -1.503 1.568 1.00 41.10 O ATOM 1329 CB ASN A 83 -8.443 -3.600 2.877 1.00 65.12 C ATOM 1330 CG ASN A 83 -9.197 -4.911 2.943 1.00 3.41 C ATOM 1331 OD1 ASN A 83 -9.174 -5.608 3.956 1.00 73.42 O ATOM 1332 ND2 ASN A 83 -9.879 -5.253 1.861 1.00 51.51 N ATOM 0 H ASN A 83 -5.704 -5.020 3.494 1.00 72.22 H new ATOM 0 HA ASN A 83 -6.957 -4.654 1.735 1.00 71.01 H new ATOM 0 HB2 ASN A 83 -8.432 -3.141 3.865 1.00 65.12 H new ATOM 0 HB3 ASN A 83 -8.970 -2.915 2.213 1.00 65.12 H new ATOM 0 HD21 ASN A 83 -10.411 -6.123 1.848 1.00 51.51 H new ATOM 0 HD22 ASN A 83 -9.872 -4.647 1.041 1.00 51.51 H new