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 Single : A 8 SER OG : rot 59:sc= -0.788 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00437 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.324 X(o=0.32,f=-0.11) USER MOD Single : A 30 LYS NZ :NH3+ 134:sc= 0.187 (180deg=0) USER MOD Single : A 31 TYR OH : rot -125:sc= 0.767 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -116:sc= -0.562 (180deg=-3.42!) USER MOD Single : A 37 CYS SG : rot -150:sc= -1.7 USER MOD Single : A 40 LYS NZ :NH3+ -157:sc= 1 (180deg=0.467) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= -0.0948 (180deg=-0.359) USER MOD Single : A 66 LYS NZ :NH3+ -133:sc= 0.297 (180deg=0) USER MOD Single : A 69 CYS SG : rot -25:sc= 0.258 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.232) USER MOD Single : A 83 ASN : amide:sc=-0.00173 K(o=-0.0017,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 157 N SER A 8 2.087 -0.482 7.210 1.00 63.23 N ATOM 158 CA SER A 8 1.262 -1.348 6.347 1.00 51.21 C ATOM 159 C SER A 8 1.824 -2.779 6.272 1.00 42.45 C ATOM 160 O SER A 8 2.964 -2.983 5.851 1.00 54.32 O ATOM 161 CB SER A 8 1.105 -0.740 4.941 1.00 13.44 C ATOM 162 OG SER A 8 0.927 -1.737 3.958 1.00 23.53 O ATOM 0 HA SER A 8 0.273 -1.411 6.800 1.00 51.21 H new ATOM 0 HB2 SER A 8 0.251 -0.062 4.931 1.00 13.44 H new ATOM 0 HB3 SER A 8 1.987 -0.146 4.701 1.00 13.44 H new ATOM 0 HG SER A 8 0.127 -2.263 4.167 1.00 23.53 H new ATOM 168 N ARG A 9 0.986 -3.768 6.616 1.00 12.13 N ATOM 169 CA ARG A 9 1.463 -5.184 6.684 1.00 13.45 C ATOM 170 C ARG A 9 0.431 -6.203 6.157 1.00 75.51 C ATOM 171 O ARG A 9 -0.750 -5.932 6.238 1.00 70.32 O ATOM 172 CB ARG A 9 1.945 -5.655 8.102 1.00 74.15 C ATOM 173 CG ARG A 9 1.905 -4.629 9.251 1.00 12.00 C ATOM 174 CD ARG A 9 0.504 -4.385 9.827 1.00 40.14 C ATOM 175 NE ARG A 9 0.569 -3.508 11.005 1.00 74.10 N ATOM 176 CZ ARG A 9 -0.447 -2.763 11.482 1.00 4.24 C ATOM 177 NH1 ARG A 9 -1.636 -2.761 10.880 1.00 75.24 N ATOM 178 NH2 ARG A 9 -0.246 -1.995 12.551 1.00 55.05 N ATOM 0 H ARG A 9 0.002 -3.636 6.848 1.00 12.13 H new ATOM 0 HA ARG A 9 2.331 -5.167 6.025 1.00 13.45 H new ATOM 0 HB2 ARG A 9 1.337 -6.511 8.396 1.00 74.15 H new ATOM 0 HB3 ARG A 9 2.971 -6.011 8.006 1.00 74.15 H new ATOM 0 HG2 ARG A 9 2.560 -4.971 10.052 1.00 12.00 H new ATOM 0 HG3 ARG A 9 2.308 -3.682 8.892 1.00 12.00 H new ATOM 0 HD2 ARG A 9 -0.133 -3.933 9.067 1.00 40.14 H new ATOM 0 HD3 ARG A 9 0.048 -5.336 10.101 1.00 40.14 H new ATOM 0 HE ARG A 9 1.458 -3.460 11.503 1.00 74.10 H new ATOM 0 HH11 ARG A 9 -1.786 -3.329 10.046 1.00 75.24 H new ATOM 0 HH12 ARG A 9 -2.396 -2.192 11.253 1.00 75.24 H new ATOM 0 HH21 ARG A 9 0.670 -1.975 13.000 1.00 55.05 H new ATOM 0 HH22 ARG A 9 -1.008 -1.427 12.921 1.00 55.05 H new ATOM 192 N ILE A 10 0.873 -7.406 5.672 1.00 22.03 N ATOM 193 CA ILE A 10 -0.054 -8.423 5.139 1.00 21.33 C ATOM 194 C ILE A 10 0.034 -9.670 6.025 1.00 53.13 C ATOM 195 O ILE A 10 1.150 -10.008 6.503 1.00 42.21 O ATOM 196 CB ILE A 10 0.261 -8.829 3.621 1.00 71.11 C ATOM 197 CG1 ILE A 10 -0.053 -7.669 2.632 1.00 61.44 C ATOM 198 CG2 ILE A 10 -0.438 -10.140 3.152 1.00 34.23 C ATOM 199 CD1 ILE A 10 -0.099 -8.030 1.134 1.00 62.42 C ATOM 0 H ILE A 10 1.855 -7.680 5.645 1.00 22.03 H new ATOM 0 HA ILE A 10 -1.056 -7.994 5.148 1.00 21.33 H new ATOM 0 HB ILE A 10 1.333 -9.028 3.607 1.00 71.11 H new ATOM 0 HG12 ILE A 10 -1.015 -7.238 2.908 1.00 61.44 H new ATOM 0 HG13 ILE A 10 0.697 -6.890 2.772 1.00 61.44 H new ATOM 0 HG21 ILE A 10 -0.173 -10.343 2.114 1.00 34.23 H new ATOM 0 HG22 ILE A 10 -0.112 -10.970 3.779 1.00 34.23 H new ATOM 0 HG23 ILE A 10 -1.519 -10.026 3.234 1.00 34.23 H new ATOM 0 HD11 ILE A 10 -0.326 -7.137 0.551 1.00 62.42 H new ATOM 0 HD12 ILE A 10 0.868 -8.428 0.826 1.00 62.42 H new ATOM 0 HD13 ILE A 10 -0.871 -8.781 0.964 1.00 62.42 H new ATOM 211 N TYR A 11 -1.157 -10.306 6.247 1.00 35.33 N ATOM 212 CA TYR A 11 -1.274 -11.518 7.086 1.00 55.24 C ATOM 213 C TYR A 11 -1.361 -12.797 6.187 1.00 62.02 C ATOM 214 O TYR A 11 -2.317 -12.907 5.382 1.00 74.32 O ATOM 215 CB TYR A 11 -2.552 -11.399 7.961 1.00 73.34 C ATOM 216 CG TYR A 11 -2.629 -12.357 9.144 1.00 43.33 C ATOM 217 CD1 TYR A 11 -2.103 -11.997 10.379 1.00 74.01 C ATOM 218 CD2 TYR A 11 -3.255 -13.599 9.040 1.00 41.34 C ATOM 219 CE1 TYR A 11 -2.186 -12.845 11.473 1.00 4.12 C ATOM 220 CE2 TYR A 11 -3.343 -14.449 10.130 1.00 23.01 C ATOM 221 CZ TYR A 11 -2.806 -14.068 11.343 1.00 25.25 C ATOM 222 OH TYR A 11 -2.892 -14.923 12.425 1.00 62.22 O ATOM 0 H TYR A 11 -2.043 -9.991 5.852 1.00 35.33 H new ATOM 0 HA TYR A 11 -0.394 -11.605 7.723 1.00 55.24 H new ATOM 0 HB2 TYR A 11 -2.620 -10.378 8.337 1.00 73.34 H new ATOM 0 HB3 TYR A 11 -3.423 -11.563 7.326 1.00 73.34 H new ATOM 0 HD1 TYR A 11 -1.620 -11.037 10.489 1.00 74.01 H new ATOM 0 HD2 TYR A 11 -3.678 -13.903 8.094 1.00 41.34 H new ATOM 0 HE1 TYR A 11 -1.766 -12.548 12.423 1.00 4.12 H new ATOM 0 HE2 TYR A 11 -3.831 -15.408 10.031 1.00 23.01 H new ATOM 0 HH TYR A 11 -3.361 -15.741 12.159 1.00 62.22 H new ATOM 232 N VAL A 12 -0.386 -13.762 6.274 1.00 21.53 N ATOM 233 CA VAL A 12 -0.484 -14.989 5.467 1.00 34.13 C ATOM 234 C VAL A 12 -0.386 -16.226 6.380 1.00 73.12 C ATOM 235 O VAL A 12 0.686 -16.554 6.850 1.00 33.20 O ATOM 236 CB VAL A 12 0.633 -15.059 4.310 1.00 44.41 C ATOM 237 CG1 VAL A 12 0.550 -16.320 3.446 1.00 13.10 C ATOM 238 CG2 VAL A 12 0.578 -13.847 3.387 1.00 5.25 C ATOM 0 H VAL A 12 0.437 -13.703 6.874 1.00 21.53 H new ATOM 0 HA VAL A 12 -1.454 -14.974 4.970 1.00 34.13 H new ATOM 0 HB VAL A 12 1.578 -15.077 4.853 1.00 44.41 H new ATOM 0 HG11 VAL A 12 1.334 -16.295 2.689 1.00 13.10 H new ATOM 0 HG12 VAL A 12 0.680 -17.201 4.075 1.00 13.10 H new ATOM 0 HG13 VAL A 12 -0.424 -16.363 2.958 1.00 13.10 H new ATOM 0 HG21 VAL A 12 1.349 -13.937 2.622 1.00 5.25 H new ATOM 0 HG22 VAL A 12 -0.401 -13.796 2.911 1.00 5.25 H new ATOM 0 HG23 VAL A 12 0.747 -12.940 3.967 1.00 5.25 H new ATOM 248 N GLY A 13 -1.504 -16.920 6.616 1.00 22.34 N ATOM 249 CA GLY A 13 -1.448 -18.172 7.373 1.00 54.43 C ATOM 250 C GLY A 13 -1.730 -19.387 6.485 1.00 1.14 C ATOM 251 O GLY A 13 -1.893 -19.210 5.285 1.00 44.30 O ATOM 0 H GLY A 13 -2.435 -16.645 6.303 1.00 22.34 H new ATOM 0 HA2 GLY A 13 -0.464 -18.277 7.830 1.00 54.43 H new ATOM 0 HA3 GLY A 13 -2.175 -18.139 8.185 1.00 54.43 H new ATOM 255 N ASN A 14 -1.748 -20.619 7.079 1.00 12.32 N ATOM 256 CA ASN A 14 -2.169 -21.893 6.389 1.00 42.42 C ATOM 257 C ASN A 14 -1.509 -22.189 5.005 1.00 53.25 C ATOM 258 O ASN A 14 -2.069 -22.946 4.209 1.00 1.13 O ATOM 259 CB ASN A 14 -3.700 -21.899 6.227 1.00 15.34 C ATOM 260 CG ASN A 14 -4.438 -21.881 7.551 1.00 51.02 C ATOM 261 OD1 ASN A 14 -4.749 -20.818 8.091 1.00 63.20 O ATOM 262 ND2 ASN A 14 -4.716 -23.056 8.090 1.00 13.50 N ATOM 0 H ASN A 14 -1.472 -20.763 8.050 1.00 12.32 H new ATOM 0 HA ASN A 14 -1.811 -22.689 7.042 1.00 42.42 H new ATOM 0 HB2 ASN A 14 -4.001 -21.032 5.639 1.00 15.34 H new ATOM 0 HB3 ASN A 14 -3.996 -22.784 5.665 1.00 15.34 H new ATOM 0 HD21 ASN A 14 -5.205 -23.104 8.984 1.00 13.50 H new ATOM 0 HD22 ASN A 14 -4.442 -23.914 7.612 1.00 13.50 H new ATOM 269 N LEU A 15 -0.328 -21.633 4.748 1.00 30.45 N ATOM 270 CA LEU A 15 0.394 -21.826 3.498 1.00 50.40 C ATOM 271 C LEU A 15 1.317 -23.062 3.577 1.00 15.23 C ATOM 272 O LEU A 15 2.141 -23.175 4.490 1.00 35.14 O ATOM 273 CB LEU A 15 1.174 -20.526 3.109 1.00 22.44 C ATOM 274 CG LEU A 15 2.430 -20.099 3.930 1.00 61.34 C ATOM 275 CD1 LEU A 15 3.140 -18.922 3.271 1.00 0.23 C ATOM 276 CD2 LEU A 15 2.112 -19.694 5.359 1.00 53.32 C ATOM 0 H LEU A 15 0.158 -21.029 5.411 1.00 30.45 H new ATOM 0 HA LEU A 15 -0.327 -22.022 2.704 1.00 50.40 H new ATOM 0 HB2 LEU A 15 1.486 -20.633 2.070 1.00 22.44 H new ATOM 0 HB3 LEU A 15 0.465 -19.699 3.146 1.00 22.44 H new ATOM 0 HG LEU A 15 3.065 -20.985 3.951 1.00 61.34 H new ATOM 0 HD11 LEU A 15 4.012 -18.645 3.864 1.00 0.23 H new ATOM 0 HD12 LEU A 15 3.458 -19.205 2.268 1.00 0.23 H new ATOM 0 HD13 LEU A 15 2.458 -18.074 3.210 1.00 0.23 H new ATOM 0 HD21 LEU A 15 3.032 -19.410 5.870 1.00 53.32 H new ATOM 0 HD22 LEU A 15 1.424 -18.849 5.353 1.00 53.32 H new ATOM 0 HD23 LEU A 15 1.652 -20.533 5.881 1.00 53.32 H new ATOM 288 N PRO A 16 1.165 -24.036 2.647 1.00 55.43 N ATOM 289 CA PRO A 16 2.074 -25.187 2.589 1.00 42.43 C ATOM 290 C PRO A 16 3.375 -24.891 1.783 1.00 45.43 C ATOM 291 O PRO A 16 3.260 -24.451 0.630 1.00 0.23 O ATOM 292 CB PRO A 16 1.232 -26.254 1.873 1.00 22.41 C ATOM 293 CG PRO A 16 0.202 -25.518 1.071 1.00 10.44 C ATOM 294 CD PRO A 16 0.059 -24.135 1.664 1.00 62.33 C ATOM 0 HA PRO A 16 2.423 -25.480 3.579 1.00 42.43 H new ATOM 0 HB2 PRO A 16 1.857 -26.872 1.228 1.00 22.41 H new ATOM 0 HB3 PRO A 16 0.758 -26.922 2.593 1.00 22.41 H new ATOM 0 HG2 PRO A 16 0.504 -25.456 0.025 1.00 10.44 H new ATOM 0 HG3 PRO A 16 -0.751 -26.046 1.097 1.00 10.44 H new ATOM 0 HD2 PRO A 16 0.139 -23.364 0.897 1.00 62.33 H new ATOM 0 HD3 PRO A 16 -0.911 -24.007 2.144 1.00 62.33 H new ATOM 302 N SER A 17 4.585 -25.146 2.408 1.00 55.53 N ATOM 303 CA SER A 17 5.940 -25.035 1.774 1.00 14.24 C ATOM 304 C SER A 17 6.055 -23.924 0.722 1.00 12.25 C ATOM 305 O SER A 17 6.330 -24.178 -0.456 1.00 44.12 O ATOM 306 CB SER A 17 6.361 -26.387 1.178 1.00 13.40 C ATOM 307 OG SER A 17 6.307 -27.410 2.165 1.00 54.55 O ATOM 0 H SER A 17 4.635 -25.439 3.384 1.00 55.53 H new ATOM 0 HA SER A 17 6.622 -24.752 2.575 1.00 14.24 H new ATOM 0 HB2 SER A 17 5.706 -26.643 0.345 1.00 13.40 H new ATOM 0 HB3 SER A 17 7.372 -26.314 0.777 1.00 13.40 H new ATOM 0 HG SER A 17 6.577 -28.264 1.766 1.00 54.55 H new ATOM 313 N HIS A 18 5.828 -22.698 1.158 1.00 34.12 N ATOM 314 CA HIS A 18 5.656 -21.597 0.240 1.00 45.21 C ATOM 315 C HIS A 18 6.876 -20.662 0.318 1.00 50.13 C ATOM 316 O HIS A 18 8.006 -21.143 0.235 1.00 44.23 O ATOM 317 CB HIS A 18 4.324 -20.921 0.578 1.00 22.00 C ATOM 318 CG HIS A 18 3.606 -20.322 -0.592 1.00 5.22 C ATOM 319 ND1 HIS A 18 3.008 -21.081 -1.573 1.00 4.53 N ATOM 320 CD2 HIS A 18 3.352 -19.031 -0.911 1.00 73.31 C ATOM 321 CE1 HIS A 18 2.422 -20.286 -2.448 1.00 14.14 C ATOM 322 NE2 HIS A 18 2.613 -19.033 -2.069 1.00 30.21 N ATOM 0 H HIS A 18 5.759 -22.444 2.143 1.00 34.12 H new ATOM 0 HA HIS A 18 5.608 -21.925 -0.798 1.00 45.21 H new ATOM 0 HB2 HIS A 18 3.670 -21.655 1.050 1.00 22.00 H new ATOM 0 HB3 HIS A 18 4.507 -20.137 1.313 1.00 22.00 H new ATOM 0 HD2 HIS A 18 3.671 -18.160 -0.357 1.00 73.31 H new ATOM 0 HE1 HIS A 18 1.878 -20.604 -3.325 1.00 14.14 H new ATOM 0 HE2 HIS A 18 2.269 -18.206 -2.556 1.00 30.21 H new ATOM 331 N VAL A 19 6.665 -19.359 0.508 1.00 53.21 N ATOM 332 CA VAL A 19 7.769 -18.408 0.475 1.00 55.15 C ATOM 333 C VAL A 19 8.498 -18.345 1.863 1.00 45.45 C ATOM 334 O VAL A 19 7.851 -18.091 2.885 1.00 70.35 O ATOM 335 CB VAL A 19 7.287 -16.983 -0.028 1.00 43.24 C ATOM 336 CG1 VAL A 19 6.899 -17.043 -1.504 1.00 54.33 C ATOM 337 CG2 VAL A 19 6.116 -16.409 0.799 1.00 22.00 C ATOM 0 H VAL A 19 5.750 -18.945 0.684 1.00 53.21 H new ATOM 0 HA VAL A 19 8.503 -18.760 -0.250 1.00 55.15 H new ATOM 0 HB VAL A 19 8.132 -16.308 0.108 1.00 43.24 H new ATOM 0 HG11 VAL A 19 6.570 -16.058 -1.834 1.00 54.33 H new ATOM 0 HG12 VAL A 19 7.761 -17.355 -2.094 1.00 54.33 H new ATOM 0 HG13 VAL A 19 6.089 -17.759 -1.638 1.00 54.33 H new ATOM 0 HG21 VAL A 19 5.835 -15.433 0.403 1.00 22.00 H new ATOM 0 HG22 VAL A 19 5.263 -17.085 0.739 1.00 22.00 H new ATOM 0 HG23 VAL A 19 6.423 -16.304 1.840 1.00 22.00 H new ATOM 347 N SER A 20 9.835 -18.636 1.906 1.00 25.40 N ATOM 348 CA SER A 20 10.628 -18.529 3.149 1.00 62.11 C ATOM 349 C SER A 20 11.035 -17.040 3.369 1.00 42.33 C ATOM 350 O SER A 20 10.904 -16.272 2.426 1.00 42.35 O ATOM 351 CB SER A 20 11.864 -19.459 3.009 1.00 13.54 C ATOM 352 OG SER A 20 11.542 -20.611 2.241 1.00 72.14 O ATOM 0 H SER A 20 10.372 -18.943 1.095 1.00 25.40 H new ATOM 0 HA SER A 20 10.054 -18.842 4.021 1.00 62.11 H new ATOM 0 HB2 SER A 20 12.682 -18.916 2.534 1.00 13.54 H new ATOM 0 HB3 SER A 20 12.212 -19.760 3.997 1.00 13.54 H new ATOM 0 HG SER A 20 12.333 -21.184 2.163 1.00 72.14 H new ATOM 358 N SER A 21 11.519 -16.621 4.594 1.00 53.52 N ATOM 359 CA SER A 21 11.786 -15.199 4.916 1.00 63.24 C ATOM 360 C SER A 21 12.592 -14.403 3.862 1.00 43.41 C ATOM 361 O SER A 21 12.201 -13.268 3.516 1.00 22.41 O ATOM 362 CB SER A 21 12.496 -15.101 6.271 1.00 12.44 C ATOM 363 OG SER A 21 13.648 -15.932 6.326 1.00 32.32 O ATOM 0 H SER A 21 11.726 -17.261 5.361 1.00 53.52 H new ATOM 0 HA SER A 21 10.801 -14.732 4.934 1.00 63.24 H new ATOM 0 HB2 SER A 21 12.785 -14.066 6.455 1.00 12.44 H new ATOM 0 HB3 SER A 21 11.805 -15.385 7.065 1.00 12.44 H new ATOM 0 HG SER A 21 14.075 -15.842 7.204 1.00 32.32 H new ATOM 369 N ARG A 22 13.698 -14.977 3.364 1.00 35.21 N ATOM 370 CA ARG A 22 14.500 -14.296 2.321 1.00 51.55 C ATOM 371 C ARG A 22 13.748 -14.085 0.951 1.00 65.55 C ATOM 372 O ARG A 22 13.886 -13.006 0.344 1.00 22.24 O ATOM 373 CB ARG A 22 15.929 -14.941 2.166 1.00 24.44 C ATOM 374 CG ARG A 22 16.602 -14.820 0.780 1.00 23.04 C ATOM 375 CD ARG A 22 16.352 -16.033 -0.130 1.00 54.34 C ATOM 376 NE ARG A 22 17.432 -17.028 -0.045 1.00 52.15 N ATOM 377 CZ ARG A 22 18.605 -16.943 -0.701 1.00 40.33 C ATOM 378 NH1 ARG A 22 18.867 -15.909 -1.501 1.00 2.00 N ATOM 379 NH2 ARG A 22 19.507 -17.908 -0.568 1.00 42.10 N ATOM 0 H ARG A 22 14.056 -15.887 3.653 1.00 35.21 H new ATOM 0 HA ARG A 22 14.654 -13.280 2.685 1.00 51.55 H new ATOM 0 HB2 ARG A 22 16.589 -14.486 2.905 1.00 24.44 H new ATOM 0 HB3 ARG A 22 15.853 -15.999 2.415 1.00 24.44 H new ATOM 0 HG2 ARG A 22 16.235 -13.922 0.284 1.00 23.04 H new ATOM 0 HG3 ARG A 22 17.676 -14.693 0.916 1.00 23.04 H new ATOM 0 HD2 ARG A 22 15.407 -16.502 0.145 1.00 54.34 H new ATOM 0 HD3 ARG A 22 16.252 -15.696 -1.162 1.00 54.34 H new ATOM 0 HE ARG A 22 17.282 -17.840 0.553 1.00 52.15 H new ATOM 0 HH11 ARG A 22 18.175 -15.170 -1.622 1.00 2.00 H new ATOM 0 HH12 ARG A 22 19.760 -15.857 -1.992 1.00 2.00 H new ATOM 0 HH21 ARG A 22 19.311 -18.711 0.030 1.00 42.10 H new ATOM 0 HH22 ARG A 22 20.396 -17.847 -1.064 1.00 42.10 H new ATOM 393 N ASP A 23 12.977 -15.081 0.437 1.00 33.24 N ATOM 394 CA ASP A 23 12.145 -14.849 -0.754 1.00 23.22 C ATOM 395 C ASP A 23 10.969 -13.850 -0.492 1.00 32.53 C ATOM 396 O ASP A 23 10.618 -13.103 -1.437 1.00 1.41 O ATOM 397 CB ASP A 23 11.776 -16.164 -1.565 1.00 24.41 C ATOM 398 CG ASP A 23 11.497 -17.408 -0.724 1.00 23.31 C ATOM 399 OD1 ASP A 23 12.386 -17.834 0.067 1.00 61.41 O ATOM 400 OD2 ASP A 23 10.431 -18.012 -0.905 1.00 50.11 O ATOM 0 H ASP A 23 12.920 -16.024 0.823 1.00 33.24 H new ATOM 0 HA ASP A 23 12.781 -14.320 -1.464 1.00 23.22 H new ATOM 0 HB2 ASP A 23 10.897 -15.957 -2.176 1.00 24.41 H new ATOM 0 HB3 ASP A 23 12.594 -16.387 -2.250 1.00 24.41 H new ATOM 405 N VAL A 24 10.428 -13.715 0.799 1.00 63.13 N ATOM 406 CA VAL A 24 9.393 -12.706 1.058 1.00 64.34 C ATOM 407 C VAL A 24 10.062 -11.324 1.001 1.00 10.23 C ATOM 408 O VAL A 24 9.496 -10.377 0.450 1.00 24.15 O ATOM 409 CB VAL A 24 8.628 -12.847 2.437 1.00 44.34 C ATOM 410 CG1 VAL A 24 7.302 -12.155 2.386 1.00 33.31 C ATOM 411 CG2 VAL A 24 8.385 -14.274 2.946 1.00 61.43 C ATOM 0 H VAL A 24 10.699 -14.277 1.606 1.00 63.13 H new ATOM 0 HA VAL A 24 8.629 -12.849 0.294 1.00 64.34 H new ATOM 0 HB VAL A 24 9.318 -12.382 3.141 1.00 44.34 H new ATOM 0 HG11 VAL A 24 6.796 -12.266 3.345 1.00 33.31 H new ATOM 0 HG12 VAL A 24 7.452 -11.096 2.176 1.00 33.31 H new ATOM 0 HG13 VAL A 24 6.690 -12.598 1.600 1.00 33.31 H new ATOM 0 HG21 VAL A 24 7.854 -14.236 3.897 1.00 61.43 H new ATOM 0 HG22 VAL A 24 7.787 -14.823 2.218 1.00 61.43 H new ATOM 0 HG23 VAL A 24 9.341 -14.779 3.085 1.00 61.43 H new ATOM 421 N GLU A 25 11.302 -11.235 1.537 1.00 71.11 N ATOM 422 CA GLU A 25 12.052 -9.995 1.541 1.00 63.11 C ATOM 423 C GLU A 25 12.434 -9.535 0.106 1.00 4.41 C ATOM 424 O GLU A 25 12.023 -8.450 -0.256 1.00 24.14 O ATOM 425 CB GLU A 25 13.250 -10.082 2.581 1.00 72.11 C ATOM 426 CG GLU A 25 14.714 -10.406 2.104 1.00 60.05 C ATOM 427 CD GLU A 25 15.497 -9.161 1.714 1.00 75.40 C ATOM 428 OE1 GLU A 25 15.444 -8.750 0.542 1.00 31.14 O ATOM 429 OE2 GLU A 25 16.176 -8.595 2.591 1.00 14.01 O ATOM 0 H GLU A 25 11.790 -12.020 1.969 1.00 71.11 H new ATOM 0 HA GLU A 25 11.416 -9.185 1.899 1.00 63.11 H new ATOM 0 HB2 GLU A 25 13.289 -9.127 3.104 1.00 72.11 H new ATOM 0 HB3 GLU A 25 12.979 -10.838 3.318 1.00 72.11 H new ATOM 0 HG2 GLU A 25 15.244 -10.928 2.901 1.00 60.05 H new ATOM 0 HG3 GLU A 25 14.672 -11.085 1.252 1.00 60.05 H new ATOM 436 N ASN A 26 13.147 -10.333 -0.736 1.00 72.32 N ATOM 437 CA ASN A 26 13.436 -9.892 -2.117 1.00 1.11 C ATOM 438 C ASN A 26 12.191 -9.753 -3.057 1.00 35.22 C ATOM 439 O ASN A 26 11.954 -8.606 -3.618 1.00 33.22 O ATOM 440 CB ASN A 26 14.506 -10.790 -2.767 1.00 45.04 C ATOM 441 CG ASN A 26 15.797 -10.029 -3.059 1.00 72.31 C ATOM 442 OD1 ASN A 26 16.448 -10.270 -4.070 1.00 71.51 O ATOM 443 ND2 ASN A 26 16.208 -9.143 -2.154 1.00 44.22 N ATOM 0 H ASN A 26 13.518 -11.251 -0.490 1.00 72.32 H new ATOM 0 HA ASN A 26 13.815 -8.876 -2.004 1.00 1.11 H new ATOM 0 HB2 ASN A 26 14.723 -11.630 -2.107 1.00 45.04 H new ATOM 0 HB3 ASN A 26 14.114 -11.206 -3.695 1.00 45.04 H new ATOM 0 HD21 ASN A 26 17.086 -8.643 -2.292 1.00 44.22 H new ATOM 0 HD22 ASN A 26 15.644 -8.964 -1.323 1.00 44.22 H new ATOM 450 N GLU A 27 11.355 -10.849 -3.209 1.00 53.25 N ATOM 451 CA GLU A 27 10.172 -10.761 -4.091 1.00 20.32 C ATOM 452 C GLU A 27 9.198 -9.663 -3.644 1.00 41.01 C ATOM 453 O GLU A 27 8.695 -8.942 -4.512 1.00 33.02 O ATOM 454 CB GLU A 27 9.473 -12.151 -4.281 1.00 22.14 C ATOM 455 CG GLU A 27 8.202 -12.240 -5.173 1.00 13.20 C ATOM 456 CD GLU A 27 6.962 -12.674 -4.402 1.00 40.44 C ATOM 457 OE1 GLU A 27 6.788 -13.898 -4.193 1.00 44.43 O ATOM 458 OE2 GLU A 27 6.145 -11.808 -4.038 1.00 12.30 O ATOM 0 H GLU A 27 11.487 -11.749 -2.748 1.00 53.25 H new ATOM 0 HA GLU A 27 10.532 -10.465 -5.076 1.00 20.32 H new ATOM 0 HB2 GLU A 27 10.213 -12.838 -4.693 1.00 22.14 H new ATOM 0 HB3 GLU A 27 9.208 -12.524 -3.292 1.00 22.14 H new ATOM 0 HG2 GLU A 27 8.017 -11.268 -5.630 1.00 13.20 H new ATOM 0 HG3 GLU A 27 8.383 -12.945 -5.985 1.00 13.20 H new ATOM 465 N PHE A 28 8.982 -9.441 -2.324 1.00 72.22 N ATOM 466 CA PHE A 28 8.086 -8.373 -1.970 1.00 5.41 C ATOM 467 C PHE A 28 8.752 -6.968 -1.934 1.00 40.51 C ATOM 468 O PHE A 28 7.997 -6.020 -2.049 1.00 22.24 O ATOM 469 CB PHE A 28 7.217 -8.666 -0.720 1.00 43.13 C ATOM 470 CG PHE A 28 6.043 -9.637 -0.939 1.00 13.11 C ATOM 471 CD1 PHE A 28 4.807 -9.156 -1.390 1.00 63.24 C ATOM 472 CD2 PHE A 28 6.147 -11.019 -0.688 1.00 65.32 C ATOM 473 CE1 PHE A 28 3.736 -10.008 -1.583 1.00 55.31 C ATOM 474 CE2 PHE A 28 5.058 -11.856 -0.890 1.00 12.33 C ATOM 475 CZ PHE A 28 3.865 -11.353 -1.337 1.00 33.45 C ATOM 0 H PHE A 28 9.396 -9.962 -1.551 1.00 72.22 H new ATOM 0 HA PHE A 28 7.385 -8.333 -2.804 1.00 5.41 H new ATOM 0 HB2 PHE A 28 7.860 -9.072 0.061 1.00 43.13 H new ATOM 0 HB3 PHE A 28 6.820 -7.722 -0.346 1.00 43.13 H new ATOM 0 HD1 PHE A 28 4.689 -8.101 -1.590 1.00 63.24 H new ATOM 0 HD2 PHE A 28 7.081 -11.431 -0.336 1.00 65.32 H new ATOM 0 HE1 PHE A 28 2.792 -9.614 -1.929 1.00 55.31 H new ATOM 0 HE2 PHE A 28 5.152 -12.914 -0.693 1.00 12.33 H new ATOM 0 HZ PHE A 28 3.026 -12.014 -1.496 1.00 33.45 H new ATOM 485 N ARG A 29 10.139 -6.788 -1.775 1.00 22.31 N ATOM 486 CA ARG A 29 10.748 -5.408 -1.989 1.00 62.33 C ATOM 487 C ARG A 29 10.510 -4.976 -3.429 1.00 44.11 C ATOM 488 O ARG A 29 10.396 -3.764 -3.655 1.00 71.34 O ATOM 489 CB ARG A 29 12.289 -5.087 -1.842 1.00 1.22 C ATOM 490 CG ARG A 29 13.141 -5.655 -0.683 1.00 72.12 C ATOM 491 CD ARG A 29 14.644 -5.702 -1.026 1.00 51.41 C ATOM 492 NE ARG A 29 15.134 -4.346 -1.333 1.00 45.01 N ATOM 493 CZ ARG A 29 16.392 -3.933 -1.175 1.00 54.54 C ATOM 494 NH1 ARG A 29 17.323 -4.769 -0.723 1.00 63.11 N ATOM 495 NH2 ARG A 29 16.698 -2.663 -1.437 1.00 13.24 N ATOM 0 H ARG A 29 10.799 -7.523 -1.520 1.00 22.31 H new ATOM 0 HA ARG A 29 10.256 -4.915 -1.151 1.00 62.33 H new ATOM 0 HB2 ARG A 29 12.766 -5.408 -2.768 1.00 1.22 H new ATOM 0 HB3 ARG A 29 12.380 -4.002 -1.796 1.00 1.22 H new ATOM 0 HG2 ARG A 29 12.993 -5.043 0.207 1.00 72.12 H new ATOM 0 HG3 ARG A 29 12.795 -6.660 -0.440 1.00 72.12 H new ATOM 0 HD2 ARG A 29 15.204 -6.119 -0.189 1.00 51.41 H new ATOM 0 HD3 ARG A 29 14.810 -6.359 -1.879 1.00 51.41 H new ATOM 0 HE ARG A 29 14.459 -3.672 -1.694 1.00 45.01 H new ATOM 0 HH11 ARG A 29 17.076 -5.732 -0.495 1.00 63.11 H new ATOM 0 HH12 ARG A 29 18.283 -4.447 -0.604 1.00 63.11 H new ATOM 0 HH21 ARG A 29 15.974 -2.019 -1.754 1.00 13.24 H new ATOM 0 HH22 ARG A 29 17.657 -2.335 -1.320 1.00 13.24 H new ATOM 509 N LYS A 30 10.552 -5.920 -4.435 1.00 34.35 N ATOM 510 CA LYS A 30 10.148 -5.464 -5.816 1.00 64.32 C ATOM 511 C LYS A 30 8.719 -4.918 -5.849 1.00 21.33 C ATOM 512 O LYS A 30 8.488 -3.842 -6.415 1.00 42.32 O ATOM 513 CB LYS A 30 10.396 -6.535 -6.981 1.00 53.34 C ATOM 514 CG LYS A 30 9.182 -7.045 -7.864 1.00 33.21 C ATOM 515 CD LYS A 30 8.544 -5.980 -8.797 1.00 61.24 C ATOM 516 CE LYS A 30 7.026 -6.157 -8.946 1.00 63.34 C ATOM 517 NZ LYS A 30 6.686 -7.116 -10.026 1.00 43.00 N ATOM 0 H LYS A 30 10.829 -6.897 -4.338 1.00 34.35 H new ATOM 0 HA LYS A 30 10.831 -4.644 -6.038 1.00 64.32 H new ATOM 0 HB2 LYS A 30 11.134 -6.109 -7.661 1.00 53.34 H new ATOM 0 HB3 LYS A 30 10.854 -7.412 -6.523 1.00 53.34 H new ATOM 0 HG2 LYS A 30 9.525 -7.880 -8.475 1.00 33.21 H new ATOM 0 HG3 LYS A 30 8.409 -7.432 -7.200 1.00 33.21 H new ATOM 0 HD2 LYS A 30 8.753 -4.985 -8.403 1.00 61.24 H new ATOM 0 HD3 LYS A 30 9.011 -6.038 -9.780 1.00 61.24 H new ATOM 0 HE2 LYS A 30 6.607 -6.508 -8.003 1.00 63.34 H new ATOM 0 HE3 LYS A 30 6.567 -5.192 -9.159 1.00 63.34 H new ATOM 0 HZ1 LYS A 30 5.960 -7.778 -9.686 1.00 43.00 H new ATOM 0 HZ2 LYS A 30 6.322 -6.596 -10.850 1.00 43.00 H new ATOM 0 HZ3 LYS A 30 7.538 -7.647 -10.300 1.00 43.00 H new ATOM 531 N TYR A 31 7.791 -5.625 -5.230 1.00 30.01 N ATOM 532 CA TYR A 31 6.386 -5.322 -5.388 1.00 64.22 C ATOM 533 C TYR A 31 5.969 -4.011 -4.665 1.00 75.01 C ATOM 534 O TYR A 31 5.228 -3.222 -5.237 1.00 2.23 O ATOM 535 CB TYR A 31 5.568 -6.558 -4.948 1.00 1.14 C ATOM 536 CG TYR A 31 5.291 -7.607 -6.055 1.00 45.13 C ATOM 537 CD1 TYR A 31 4.310 -7.387 -7.051 1.00 55.01 C ATOM 538 CD2 TYR A 31 6.001 -8.817 -6.111 1.00 62.52 C ATOM 539 CE1 TYR A 31 4.078 -8.327 -8.051 1.00 53.23 C ATOM 540 CE2 TYR A 31 5.752 -9.749 -7.109 1.00 0.00 C ATOM 541 CZ TYR A 31 4.802 -9.494 -8.069 1.00 14.52 C ATOM 542 OH TYR A 31 4.575 -10.395 -9.061 1.00 35.43 O ATOM 0 H TYR A 31 7.988 -6.413 -4.613 1.00 30.01 H new ATOM 0 HA TYR A 31 6.173 -5.120 -6.438 1.00 64.22 H new ATOM 0 HB2 TYR A 31 6.097 -7.049 -4.131 1.00 1.14 H new ATOM 0 HB3 TYR A 31 4.613 -6.216 -4.549 1.00 1.14 H new ATOM 0 HD1 TYR A 31 3.732 -6.475 -7.035 1.00 55.01 H new ATOM 0 HD2 TYR A 31 6.753 -9.026 -5.365 1.00 62.52 H new ATOM 0 HE1 TYR A 31 3.332 -8.140 -8.809 1.00 53.23 H new ATOM 0 HE2 TYR A 31 6.306 -10.676 -7.131 1.00 0.00 H new ATOM 0 HH TYR A 31 4.356 -11.266 -8.668 1.00 35.43 H new ATOM 552 N GLY A 32 6.486 -3.760 -3.458 1.00 60.11 N ATOM 553 CA GLY A 32 6.578 -2.398 -2.925 1.00 41.33 C ATOM 554 C GLY A 32 7.758 -2.330 -1.971 1.00 31.34 C ATOM 555 O GLY A 32 8.193 -3.380 -1.547 1.00 71.31 O ATOM 0 H GLY A 32 6.846 -4.481 -2.833 1.00 60.11 H new ATOM 0 HA2 GLY A 32 6.706 -1.682 -3.737 1.00 41.33 H new ATOM 0 HA3 GLY A 32 5.657 -2.131 -2.407 1.00 41.33 H new ATOM 559 N ASN A 33 8.278 -1.147 -1.587 1.00 34.12 N ATOM 560 CA ASN A 33 9.556 -1.113 -0.836 1.00 11.41 C ATOM 561 C ASN A 33 9.373 -1.602 0.595 1.00 32.24 C ATOM 562 O ASN A 33 8.870 -0.869 1.432 1.00 10.11 O ATOM 563 CB ASN A 33 10.214 0.290 -0.852 1.00 34.05 C ATOM 564 CG ASN A 33 11.062 0.542 -2.092 1.00 32.10 C ATOM 565 OD1 ASN A 33 12.242 0.193 -2.127 1.00 13.23 O ATOM 566 ND2 ASN A 33 10.487 1.167 -3.112 1.00 44.42 N ATOM 0 H ASN A 33 7.857 -0.237 -1.773 1.00 34.12 H new ATOM 0 HA ASN A 33 10.233 -1.795 -1.350 1.00 11.41 H new ATOM 0 HB2 ASN A 33 9.435 1.050 -0.792 1.00 34.05 H new ATOM 0 HB3 ASN A 33 10.837 0.402 0.035 1.00 34.05 H new ATOM 0 HD21 ASN A 33 11.025 1.370 -3.954 1.00 44.42 H new ATOM 0 HD22 ASN A 33 9.507 1.444 -3.054 1.00 44.42 H new ATOM 573 N ILE A 34 9.762 -2.875 0.867 1.00 13.21 N ATOM 574 CA ILE A 34 9.506 -3.457 2.194 1.00 13.05 C ATOM 575 C ILE A 34 10.436 -2.893 3.274 1.00 22.15 C ATOM 576 O ILE A 34 11.606 -2.592 3.010 1.00 41.32 O ATOM 577 CB ILE A 34 9.475 -5.032 2.267 1.00 73.45 C ATOM 578 CG1 ILE A 34 10.849 -5.730 2.012 1.00 72.43 C ATOM 579 CG2 ILE A 34 8.409 -5.579 1.325 1.00 63.12 C ATOM 580 CD1 ILE A 34 11.801 -5.896 3.220 1.00 64.23 C ATOM 0 H ILE A 34 10.236 -3.492 0.207 1.00 13.21 H new ATOM 0 HA ILE A 34 8.483 -3.141 2.397 1.00 13.05 H new ATOM 0 HB ILE A 34 9.225 -5.273 3.300 1.00 73.45 H new ATOM 0 HG12 ILE A 34 10.652 -6.720 1.600 1.00 72.43 H new ATOM 0 HG13 ILE A 34 11.376 -5.164 1.244 1.00 72.43 H new ATOM 0 HG21 ILE A 34 8.396 -6.667 1.383 1.00 63.12 H new ATOM 0 HG22 ILE A 34 7.433 -5.188 1.614 1.00 63.12 H new ATOM 0 HG23 ILE A 34 8.634 -5.273 0.303 1.00 63.12 H new ATOM 0 HD11 ILE A 34 12.715 -6.395 2.897 1.00 64.23 H new ATOM 0 HD12 ILE A 34 12.048 -4.915 3.626 1.00 64.23 H new ATOM 0 HD13 ILE A 34 11.312 -6.495 3.989 1.00 64.23 H new ATOM 592 N LEU A 35 9.885 -2.700 4.477 1.00 10.50 N ATOM 593 CA LEU A 35 10.701 -2.273 5.629 1.00 45.15 C ATOM 594 C LEU A 35 11.121 -3.472 6.526 1.00 3.55 C ATOM 595 O LEU A 35 12.296 -3.573 6.889 1.00 34.24 O ATOM 596 CB LEU A 35 10.027 -1.126 6.436 1.00 32.44 C ATOM 597 CG LEU A 35 10.461 0.307 6.025 1.00 21.14 C ATOM 598 CD1 LEU A 35 10.229 0.592 4.546 1.00 44.25 C ATOM 599 CD2 LEU A 35 9.746 1.357 6.863 1.00 74.21 C ATOM 0 H LEU A 35 8.894 -2.829 4.682 1.00 10.50 H new ATOM 0 HA LEU A 35 11.623 -1.857 5.224 1.00 45.15 H new ATOM 0 HB2 LEU A 35 8.946 -1.209 6.323 1.00 32.44 H new ATOM 0 HB3 LEU A 35 10.248 -1.267 7.494 1.00 32.44 H new ATOM 0 HG LEU A 35 11.534 0.362 6.210 1.00 21.14 H new ATOM 0 HD11 LEU A 35 10.551 1.608 4.316 1.00 44.25 H new ATOM 0 HD12 LEU A 35 10.802 -0.115 3.945 1.00 44.25 H new ATOM 0 HD13 LEU A 35 9.168 0.487 4.317 1.00 44.25 H new ATOM 0 HD21 LEU A 35 10.069 2.351 6.554 1.00 74.21 H new ATOM 0 HD22 LEU A 35 8.669 1.265 6.721 1.00 74.21 H new ATOM 0 HD23 LEU A 35 9.987 1.208 7.916 1.00 74.21 H new ATOM 611 N LYS A 36 10.187 -4.396 6.856 1.00 11.23 N ATOM 612 CA LYS A 36 10.534 -5.653 7.557 1.00 14.35 C ATOM 613 C LYS A 36 9.578 -6.802 7.124 1.00 11.31 C ATOM 614 O LYS A 36 8.424 -6.549 6.743 1.00 60.22 O ATOM 615 CB LYS A 36 10.521 -5.497 9.108 1.00 14.34 C ATOM 616 CG LYS A 36 9.149 -5.308 9.732 1.00 61.11 C ATOM 617 CD LYS A 36 8.947 -6.242 10.913 1.00 61.23 C ATOM 618 CE LYS A 36 7.515 -6.758 10.971 1.00 24.12 C ATOM 619 NZ LYS A 36 7.121 -7.496 9.731 1.00 60.44 N ATOM 0 H LYS A 36 9.193 -4.294 6.649 1.00 11.23 H new ATOM 0 HA LYS A 36 11.554 -5.904 7.267 1.00 14.35 H new ATOM 0 HB2 LYS A 36 10.984 -6.380 9.549 1.00 14.34 H new ATOM 0 HB3 LYS A 36 11.144 -4.644 9.376 1.00 14.34 H new ATOM 0 HG2 LYS A 36 9.035 -4.275 10.059 1.00 61.11 H new ATOM 0 HG3 LYS A 36 8.378 -5.492 8.984 1.00 61.11 H new ATOM 0 HD2 LYS A 36 9.636 -7.083 10.836 1.00 61.23 H new ATOM 0 HD3 LYS A 36 9.185 -5.718 11.839 1.00 61.23 H new ATOM 0 HE2 LYS A 36 7.404 -7.417 11.832 1.00 24.12 H new ATOM 0 HE3 LYS A 36 6.836 -5.919 11.122 1.00 24.12 H new ATOM 0 HZ1 LYS A 36 6.353 -6.984 9.251 1.00 60.44 H new ATOM 0 HZ2 LYS A 36 7.940 -7.567 9.094 1.00 60.44 H new ATOM 0 HZ3 LYS A 36 6.795 -8.451 9.984 1.00 60.44 H new ATOM 633 N CYS A 37 10.043 -8.067 7.196 1.00 50.02 N ATOM 634 CA CYS A 37 9.194 -9.230 6.884 1.00 15.51 C ATOM 635 C CYS A 37 9.487 -10.282 7.940 1.00 72.52 C ATOM 636 O CYS A 37 10.564 -10.878 7.928 1.00 13.41 O ATOM 637 CB CYS A 37 9.498 -9.832 5.481 1.00 45.21 C ATOM 638 SG CYS A 37 9.882 -8.628 4.198 1.00 70.44 S ATOM 0 H CYS A 37 10.997 -8.306 7.466 1.00 50.02 H new ATOM 0 HA CYS A 37 8.150 -8.916 6.878 1.00 15.51 H new ATOM 0 HB2 CYS A 37 10.337 -10.521 5.573 1.00 45.21 H new ATOM 0 HB3 CYS A 37 8.637 -10.419 5.161 1.00 45.21 H new ATOM 0 HG CYS A 37 9.505 -9.090 3.043 1.00 70.44 H new ATOM 644 N ASP A 38 8.561 -10.505 8.863 1.00 52.04 N ATOM 645 CA ASP A 38 8.872 -11.462 9.972 1.00 14.42 C ATOM 646 C ASP A 38 7.951 -12.691 9.923 1.00 63.41 C ATOM 647 O ASP A 38 6.784 -12.573 9.576 1.00 1.23 O ATOM 648 CB ASP A 38 8.784 -10.742 11.324 1.00 0.05 C ATOM 649 CG ASP A 38 9.582 -11.413 12.427 1.00 15.11 C ATOM 650 OD1 ASP A 38 9.145 -12.465 12.931 1.00 31.34 O ATOM 651 OD2 ASP A 38 10.622 -10.856 12.822 1.00 2.35 O ATOM 0 H ASP A 38 7.636 -10.077 8.890 1.00 52.04 H new ATOM 0 HA ASP A 38 9.891 -11.826 9.844 1.00 14.42 H new ATOM 0 HB2 ASP A 38 9.138 -9.718 11.204 1.00 0.05 H new ATOM 0 HB3 ASP A 38 7.739 -10.685 11.628 1.00 0.05 H new ATOM 656 N VAL A 39 8.489 -13.869 10.257 1.00 33.40 N ATOM 657 CA VAL A 39 7.748 -15.126 10.120 1.00 32.13 C ATOM 658 C VAL A 39 7.689 -15.864 11.480 1.00 24.00 C ATOM 659 O VAL A 39 8.710 -16.292 12.020 1.00 11.33 O ATOM 660 CB VAL A 39 8.302 -16.014 8.887 1.00 74.34 C ATOM 661 CG1 VAL A 39 9.823 -15.958 8.796 1.00 52.51 C ATOM 662 CG2 VAL A 39 7.935 -17.525 8.870 1.00 61.12 C ATOM 0 H VAL A 39 9.435 -13.977 10.624 1.00 33.40 H new ATOM 0 HA VAL A 39 6.713 -14.911 9.853 1.00 32.13 H new ATOM 0 HB VAL A 39 7.792 -15.545 8.046 1.00 74.34 H new ATOM 0 HG11 VAL A 39 10.160 -16.566 7.956 1.00 52.51 H new ATOM 0 HG12 VAL A 39 10.141 -14.926 8.647 1.00 52.51 H new ATOM 0 HG13 VAL A 39 10.257 -16.342 9.719 1.00 52.51 H new ATOM 0 HG21 VAL A 39 8.372 -17.996 7.989 1.00 61.12 H new ATOM 0 HG22 VAL A 39 8.325 -18.004 9.768 1.00 61.12 H new ATOM 0 HG23 VAL A 39 6.851 -17.636 8.841 1.00 61.12 H new ATOM 672 N LYS A 40 6.475 -15.963 12.038 1.00 55.34 N ATOM 673 CA LYS A 40 6.239 -16.495 13.386 1.00 25.20 C ATOM 674 C LYS A 40 5.373 -17.793 13.303 1.00 40.35 C ATOM 675 O LYS A 40 4.520 -17.862 12.419 1.00 1.02 O ATOM 676 CB LYS A 40 5.552 -15.358 14.154 1.00 21.42 C ATOM 677 CG LYS A 40 6.489 -14.179 14.385 1.00 0.23 C ATOM 678 CD LYS A 40 5.987 -13.283 15.515 1.00 32.24 C ATOM 679 CE LYS A 40 6.804 -12.005 15.657 1.00 44.33 C ATOM 680 NZ LYS A 40 8.261 -12.270 15.666 1.00 13.32 N ATOM 0 H LYS A 40 5.621 -15.673 11.561 1.00 55.34 H new ATOM 0 HA LYS A 40 7.154 -16.792 13.898 1.00 25.20 H new ATOM 0 HB2 LYS A 40 4.677 -15.022 13.598 1.00 21.42 H new ATOM 0 HB3 LYS A 40 5.196 -15.732 15.114 1.00 21.42 H new ATOM 0 HG2 LYS A 40 7.487 -14.547 14.626 1.00 0.23 H new ATOM 0 HG3 LYS A 40 6.577 -13.596 13.468 1.00 0.23 H new ATOM 0 HD2 LYS A 40 4.944 -13.024 15.332 1.00 32.24 H new ATOM 0 HD3 LYS A 40 6.019 -13.836 16.454 1.00 32.24 H new ATOM 0 HE2 LYS A 40 6.564 -11.330 14.836 1.00 44.33 H new ATOM 0 HE3 LYS A 40 6.523 -11.497 16.580 1.00 44.33 H new ATOM 0 HZ1 LYS A 40 8.754 -11.485 16.138 1.00 13.32 H new ATOM 0 HZ2 LYS A 40 8.450 -13.155 16.178 1.00 13.32 H new ATOM 0 HZ3 LYS A 40 8.604 -12.356 14.688 1.00 13.32 H new ATOM 694 N LYS A 41 5.547 -18.828 14.185 1.00 45.21 N ATOM 695 CA LYS A 41 4.850 -20.121 13.937 1.00 52.42 C ATOM 696 C LYS A 41 4.040 -20.508 15.214 1.00 25.25 C ATOM 697 O LYS A 41 4.465 -20.140 16.315 1.00 51.34 O ATOM 698 CB LYS A 41 5.852 -21.284 13.433 1.00 0.04 C ATOM 699 CG LYS A 41 6.510 -22.200 14.498 1.00 5.24 C ATOM 700 CD LYS A 41 7.320 -21.431 15.537 1.00 21.43 C ATOM 701 CE LYS A 41 8.450 -20.615 14.928 1.00 71.12 C ATOM 702 NZ LYS A 41 9.618 -20.475 15.844 1.00 50.03 N ATOM 0 H LYS A 41 6.128 -18.795 15.023 1.00 45.21 H new ATOM 0 HA LYS A 41 4.150 -19.998 13.110 1.00 52.42 H new ATOM 0 HB2 LYS A 41 5.301 -21.921 12.741 1.00 0.04 H new ATOM 0 HB3 LYS A 41 6.651 -20.810 12.862 1.00 0.04 H new ATOM 0 HG2 LYS A 41 5.733 -22.773 15.004 1.00 5.24 H new ATOM 0 HG3 LYS A 41 7.161 -22.917 13.998 1.00 5.24 H new ATOM 0 HD2 LYS A 41 6.655 -20.766 16.088 1.00 21.43 H new ATOM 0 HD3 LYS A 41 7.736 -22.135 16.258 1.00 21.43 H new ATOM 0 HE2 LYS A 41 8.775 -21.088 14.001 1.00 71.12 H new ATOM 0 HE3 LYS A 41 8.077 -19.624 14.667 1.00 71.12 H new ATOM 0 HZ1 LYS A 41 10.358 -19.911 15.379 1.00 50.03 H new ATOM 0 HZ2 LYS A 41 9.318 -19.999 16.719 1.00 50.03 H new ATOM 0 HZ3 LYS A 41 9.994 -21.417 16.074 1.00 50.03 H new ATOM 716 N THR A 42 2.854 -21.170 15.103 1.00 21.31 N ATOM 717 CA THR A 42 2.155 -21.620 16.311 1.00 5.21 C ATOM 718 C THR A 42 2.413 -23.127 16.587 1.00 42.33 C ATOM 719 O THR A 42 2.937 -23.835 15.718 1.00 75.23 O ATOM 720 CB THR A 42 0.609 -21.320 16.283 1.00 2.14 C ATOM 721 OG1 THR A 42 0.077 -21.400 17.608 1.00 52.21 O ATOM 722 CG2 THR A 42 -0.205 -22.256 15.360 1.00 72.21 C ATOM 0 H THR A 42 2.389 -21.390 14.222 1.00 21.31 H new ATOM 0 HA THR A 42 2.573 -21.036 17.131 1.00 5.21 H new ATOM 0 HB THR A 42 0.511 -20.315 15.873 1.00 2.14 H new ATOM 0 HG1 THR A 42 -0.884 -21.211 17.586 1.00 52.21 H new ATOM 0 HG21 THR A 42 -1.259 -21.980 15.400 1.00 72.21 H new ATOM 0 HG22 THR A 42 0.156 -22.161 14.336 1.00 72.21 H new ATOM 0 HG23 THR A 42 -0.087 -23.287 15.692 1.00 72.21 H new ATOM 730 N VAL A 43 2.043 -23.599 17.807 1.00 4.33 N ATOM 731 CA VAL A 43 2.205 -25.007 18.230 1.00 23.11 C ATOM 732 C VAL A 43 1.338 -26.062 17.469 1.00 40.44 C ATOM 733 O VAL A 43 1.511 -27.262 17.696 1.00 12.31 O ATOM 734 CB VAL A 43 2.042 -25.179 19.782 1.00 64.35 C ATOM 735 CG1 VAL A 43 3.166 -24.452 20.512 1.00 52.24 C ATOM 736 CG2 VAL A 43 0.684 -24.705 20.333 1.00 75.43 C ATOM 0 H VAL A 43 1.623 -23.007 18.524 1.00 4.33 H new ATOM 0 HA VAL A 43 3.232 -25.231 17.941 1.00 23.11 H new ATOM 0 HB VAL A 43 2.091 -26.252 19.965 1.00 64.35 H new ATOM 0 HG11 VAL A 43 3.043 -24.578 21.588 1.00 52.24 H new ATOM 0 HG12 VAL A 43 4.126 -24.866 20.206 1.00 52.24 H new ATOM 0 HG13 VAL A 43 3.134 -23.391 20.265 1.00 52.24 H new ATOM 0 HG21 VAL A 43 0.655 -24.859 21.412 1.00 75.43 H new ATOM 0 HG22 VAL A 43 0.553 -23.645 20.114 1.00 75.43 H new ATOM 0 HG23 VAL A 43 -0.118 -25.275 19.863 1.00 75.43 H new ATOM 746 N SER A 44 0.425 -25.645 16.563 1.00 64.14 N ATOM 747 CA SER A 44 -0.534 -26.580 15.937 1.00 24.11 C ATOM 748 C SER A 44 -0.032 -26.999 14.538 1.00 60.33 C ATOM 749 O SER A 44 -0.731 -27.705 13.806 1.00 42.33 O ATOM 750 CB SER A 44 -1.968 -25.949 15.818 1.00 24.31 C ATOM 751 OG SER A 44 -2.166 -24.923 16.785 1.00 75.40 O ATOM 0 H SER A 44 0.333 -24.678 16.252 1.00 64.14 H new ATOM 0 HA SER A 44 -0.604 -27.458 16.579 1.00 24.11 H new ATOM 0 HB2 SER A 44 -2.105 -25.539 14.817 1.00 24.31 H new ATOM 0 HB3 SER A 44 -2.721 -26.726 15.950 1.00 24.31 H new ATOM 0 HG SER A 44 -3.066 -24.549 16.685 1.00 75.40 H new ATOM 757 N GLY A 45 1.184 -26.553 14.174 1.00 31.13 N ATOM 758 CA GLY A 45 1.735 -26.814 12.837 1.00 62.22 C ATOM 759 C GLY A 45 1.297 -25.822 11.740 1.00 25.33 C ATOM 760 O GLY A 45 1.809 -25.890 10.620 1.00 44.12 O ATOM 0 H GLY A 45 1.798 -26.014 14.784 1.00 31.13 H new ATOM 0 HA2 GLY A 45 2.823 -26.802 12.901 1.00 62.22 H new ATOM 0 HA3 GLY A 45 1.445 -27.819 12.532 1.00 62.22 H new ATOM 764 N ALA A 46 0.361 -24.907 12.046 1.00 63.21 N ATOM 765 CA ALA A 46 0.023 -23.803 11.125 1.00 24.40 C ATOM 766 C ALA A 46 1.078 -22.671 11.273 1.00 71.24 C ATOM 767 O ALA A 46 1.403 -22.260 12.393 1.00 73.31 O ATOM 768 CB ALA A 46 -1.436 -23.303 11.348 1.00 52.20 C ATOM 0 H ALA A 46 -0.172 -24.907 12.916 1.00 63.21 H new ATOM 0 HA ALA A 46 0.057 -24.163 10.097 1.00 24.40 H new ATOM 0 HB1 ALA A 46 -1.652 -22.491 10.654 1.00 52.20 H new ATOM 0 HB2 ALA A 46 -2.132 -24.123 11.174 1.00 52.20 H new ATOM 0 HB3 ALA A 46 -1.545 -22.945 12.372 1.00 52.20 H new ATOM 774 N ALA A 47 1.617 -22.174 10.145 1.00 34.21 N ATOM 775 CA ALA A 47 2.759 -21.227 10.162 1.00 52.24 C ATOM 776 C ALA A 47 2.325 -19.898 9.534 1.00 22.34 C ATOM 777 O ALA A 47 1.466 -19.917 8.643 1.00 22.24 O ATOM 778 CB ALA A 47 4.013 -21.832 9.475 1.00 73.30 C ATOM 0 H ALA A 47 1.285 -22.409 9.210 1.00 34.21 H new ATOM 0 HA ALA A 47 3.052 -21.035 11.194 1.00 52.24 H new ATOM 0 HB1 ALA A 47 4.829 -21.110 9.507 1.00 73.30 H new ATOM 0 HB2 ALA A 47 4.312 -22.740 9.998 1.00 73.30 H new ATOM 0 HB3 ALA A 47 3.780 -22.071 8.437 1.00 73.30 H new ATOM 784 N PHE A 48 2.867 -18.729 9.989 1.00 23.45 N ATOM 785 CA PHE A 48 2.358 -17.441 9.489 1.00 61.42 C ATOM 786 C PHE A 48 3.497 -16.531 9.008 1.00 0.21 C ATOM 787 O PHE A 48 4.618 -16.615 9.514 1.00 70.24 O ATOM 788 CB PHE A 48 1.647 -16.696 10.643 1.00 24.51 C ATOM 789 CG PHE A 48 0.736 -17.547 11.455 1.00 35.24 C ATOM 790 CD1 PHE A 48 -0.526 -17.850 11.006 1.00 24.42 C ATOM 791 CD2 PHE A 48 1.156 -18.048 12.673 1.00 12.20 C ATOM 792 CE1 PHE A 48 -1.357 -18.644 11.750 1.00 11.42 C ATOM 793 CE2 PHE A 48 0.343 -18.831 13.416 1.00 61.04 C ATOM 794 CZ PHE A 48 -0.925 -19.144 12.967 1.00 3.44 C ATOM 0 H PHE A 48 3.623 -18.663 10.671 1.00 23.45 H new ATOM 0 HA PHE A 48 1.684 -17.655 8.660 1.00 61.42 H new ATOM 0 HB2 PHE A 48 2.402 -16.264 11.300 1.00 24.51 H new ATOM 0 HB3 PHE A 48 1.075 -15.867 10.226 1.00 24.51 H new ATOM 0 HD1 PHE A 48 -0.866 -17.459 10.058 1.00 24.42 H new ATOM 0 HD2 PHE A 48 2.145 -17.811 13.035 1.00 12.20 H new ATOM 0 HE1 PHE A 48 -2.347 -18.880 11.389 1.00 11.42 H new ATOM 0 HE2 PHE A 48 0.687 -19.214 14.366 1.00 61.04 H new ATOM 0 HZ PHE A 48 -1.573 -19.773 13.559 1.00 3.44 H new ATOM 804 N ALA A 49 3.193 -15.647 8.037 1.00 1.01 N ATOM 805 CA ALA A 49 4.162 -14.657 7.562 1.00 75.44 C ATOM 806 C ALA A 49 3.538 -13.277 7.441 1.00 60.25 C ATOM 807 O ALA A 49 2.366 -13.118 7.071 1.00 34.35 O ATOM 808 CB ALA A 49 4.954 -15.105 6.300 1.00 65.51 C ATOM 0 H ALA A 49 2.286 -15.604 7.572 1.00 1.01 H new ATOM 0 HA ALA A 49 4.929 -14.581 8.333 1.00 75.44 H new ATOM 0 HB1 ALA A 49 5.651 -14.319 6.010 1.00 65.51 H new ATOM 0 HB2 ALA A 49 5.508 -16.017 6.523 1.00 65.51 H new ATOM 0 HB3 ALA A 49 4.259 -15.294 5.482 1.00 65.51 H new ATOM 814 N PHE A 50 4.361 -12.282 7.761 1.00 33.12 N ATOM 815 CA PHE A 50 3.909 -10.967 8.137 1.00 32.12 C ATOM 816 C PHE A 50 4.737 -9.996 7.305 1.00 43.12 C ATOM 817 O PHE A 50 5.978 -9.891 7.525 1.00 71.25 O ATOM 818 CB PHE A 50 4.147 -10.774 9.664 1.00 65.31 C ATOM 819 CG PHE A 50 3.355 -9.664 10.297 1.00 33.14 C ATOM 820 CD1 PHE A 50 2.004 -9.834 10.561 1.00 2.02 C ATOM 821 CD2 PHE A 50 3.960 -8.472 10.651 1.00 44.21 C ATOM 822 CE1 PHE A 50 1.271 -8.829 11.165 1.00 34.11 C ATOM 823 CE2 PHE A 50 3.235 -7.468 11.258 1.00 62.21 C ATOM 824 CZ PHE A 50 1.888 -7.647 11.516 1.00 25.15 C ATOM 0 H PHE A 50 5.376 -12.380 7.763 1.00 33.12 H new ATOM 0 HA PHE A 50 2.846 -10.808 7.955 1.00 32.12 H new ATOM 0 HB2 PHE A 50 3.908 -11.707 10.174 1.00 65.31 H new ATOM 0 HB3 PHE A 50 5.207 -10.583 9.830 1.00 65.31 H new ATOM 0 HD1 PHE A 50 1.519 -10.761 10.292 1.00 2.02 H new ATOM 0 HD2 PHE A 50 5.011 -8.326 10.450 1.00 44.21 H new ATOM 0 HE1 PHE A 50 0.218 -8.970 11.361 1.00 34.11 H new ATOM 0 HE2 PHE A 50 3.719 -6.542 11.532 1.00 62.21 H new ATOM 0 HZ PHE A 50 1.320 -6.861 11.992 1.00 25.15 H new ATOM 834 N ILE A 51 4.078 -9.254 6.395 1.00 42.32 N ATOM 835 CA ILE A 51 4.856 -8.528 5.339 1.00 74.21 C ATOM 836 C ILE A 51 4.601 -7.046 5.448 1.00 10.02 C ATOM 837 O ILE A 51 3.558 -6.567 5.024 1.00 13.41 O ATOM 838 CB ILE A 51 4.527 -8.963 3.857 1.00 61.35 C ATOM 839 CG1 ILE A 51 3.772 -10.330 3.790 1.00 72.00 C ATOM 840 CG2 ILE A 51 5.813 -9.005 3.057 1.00 0.02 C ATOM 841 CD1 ILE A 51 3.214 -10.750 2.426 1.00 13.03 C ATOM 0 H ILE A 51 3.066 -9.135 6.355 1.00 42.32 H new ATOM 0 HA ILE A 51 5.898 -8.787 5.527 1.00 74.21 H new ATOM 0 HB ILE A 51 3.851 -8.225 3.424 1.00 61.35 H new ATOM 0 HG12 ILE A 51 4.452 -11.110 4.133 1.00 72.00 H new ATOM 0 HG13 ILE A 51 2.944 -10.295 4.498 1.00 72.00 H new ATOM 0 HG21 ILE A 51 5.594 -9.305 2.032 1.00 0.02 H new ATOM 0 HG22 ILE A 51 6.273 -8.017 3.056 1.00 0.02 H new ATOM 0 HG23 ILE A 51 6.498 -9.724 3.507 1.00 0.02 H new ATOM 0 HD11 ILE A 51 2.715 -11.715 2.518 1.00 13.03 H new ATOM 0 HD12 ILE A 51 2.499 -10.003 2.080 1.00 13.03 H new ATOM 0 HD13 ILE A 51 4.030 -10.831 1.708 1.00 13.03 H new ATOM 853 N GLU A 52 5.597 -6.317 5.924 1.00 2.12 N ATOM 854 CA GLU A 52 5.385 -4.925 6.292 1.00 1.20 C ATOM 855 C GLU A 52 6.179 -3.982 5.369 1.00 34.23 C ATOM 856 O GLU A 52 7.405 -3.894 5.476 1.00 51.12 O ATOM 857 CB GLU A 52 5.736 -4.754 7.773 1.00 31.01 C ATOM 858 CG GLU A 52 5.594 -3.349 8.333 1.00 0.53 C ATOM 859 CD GLU A 52 6.083 -3.276 9.762 1.00 32.02 C ATOM 860 OE1 GLU A 52 5.502 -3.974 10.621 1.00 61.53 O ATOM 861 OE2 GLU A 52 7.063 -2.551 10.020 1.00 2.02 O ATOM 0 H GLU A 52 6.548 -6.659 6.064 1.00 2.12 H new ATOM 0 HA GLU A 52 4.338 -4.652 6.157 1.00 1.20 H new ATOM 0 HB2 GLU A 52 5.102 -5.422 8.356 1.00 31.01 H new ATOM 0 HB3 GLU A 52 6.765 -5.081 7.922 1.00 31.01 H new ATOM 0 HG2 GLU A 52 6.160 -2.650 7.717 1.00 0.53 H new ATOM 0 HG3 GLU A 52 4.549 -3.041 8.287 1.00 0.53 H new ATOM 868 N PHE A 53 5.472 -3.317 4.433 1.00 30.33 N ATOM 869 CA PHE A 53 6.120 -2.431 3.443 1.00 74.32 C ATOM 870 C PHE A 53 5.748 -0.943 3.601 1.00 44.05 C ATOM 871 O PHE A 53 4.747 -0.620 4.246 1.00 44.21 O ATOM 872 CB PHE A 53 5.862 -2.909 1.974 1.00 44.03 C ATOM 873 CG PHE A 53 4.628 -3.754 1.740 1.00 63.05 C ATOM 874 CD1 PHE A 53 3.372 -3.264 2.035 1.00 1.35 C ATOM 875 CD2 PHE A 53 4.732 -5.043 1.207 1.00 63.05 C ATOM 876 CE1 PHE A 53 2.248 -4.025 1.817 1.00 71.34 C ATOM 877 CE2 PHE A 53 3.610 -5.809 0.989 1.00 4.32 C ATOM 878 CZ PHE A 53 2.369 -5.295 1.298 1.00 21.23 C ATOM 0 H PHE A 53 4.458 -3.376 4.341 1.00 30.33 H new ATOM 0 HA PHE A 53 7.187 -2.507 3.652 1.00 74.32 H new ATOM 0 HB2 PHE A 53 5.797 -2.028 1.336 1.00 44.03 H new ATOM 0 HB3 PHE A 53 6.731 -3.478 1.644 1.00 44.03 H new ATOM 0 HD1 PHE A 53 3.271 -2.269 2.443 1.00 1.35 H new ATOM 0 HD2 PHE A 53 5.706 -5.442 0.963 1.00 63.05 H new ATOM 0 HE1 PHE A 53 1.272 -3.628 2.052 1.00 71.34 H new ATOM 0 HE2 PHE A 53 3.701 -6.804 0.579 1.00 4.32 H new ATOM 0 HZ PHE A 53 1.485 -5.893 1.132 1.00 21.23 H new ATOM 888 N GLU A 54 6.585 -0.032 3.019 1.00 61.41 N ATOM 889 CA GLU A 54 6.180 1.396 2.880 1.00 43.44 C ATOM 890 C GLU A 54 5.107 1.609 1.789 1.00 21.34 C ATOM 891 O GLU A 54 4.290 2.528 1.929 1.00 41.43 O ATOM 892 CB GLU A 54 7.357 2.412 2.681 1.00 23.13 C ATOM 893 CG GLU A 54 7.899 2.623 1.243 1.00 0.34 C ATOM 894 CD GLU A 54 9.062 3.594 1.222 1.00 34.20 C ATOM 895 OE1 GLU A 54 8.812 4.822 1.235 1.00 34.14 O ATOM 896 OE2 GLU A 54 10.225 3.141 1.197 1.00 24.34 O ATOM 0 H GLU A 54 7.511 -0.252 2.652 1.00 61.41 H new ATOM 0 HA GLU A 54 5.748 1.622 3.855 1.00 43.44 H new ATOM 0 HB2 GLU A 54 7.031 3.380 3.061 1.00 23.13 H new ATOM 0 HB3 GLU A 54 8.188 2.088 3.307 1.00 23.13 H new ATOM 0 HG2 GLU A 54 8.216 1.666 0.829 1.00 0.34 H new ATOM 0 HG3 GLU A 54 7.100 2.998 0.604 1.00 0.34 H new ATOM 903 N ASP A 55 5.047 0.772 0.730 1.00 11.50 N ATOM 904 CA ASP A 55 3.970 0.956 -0.250 1.00 51.41 C ATOM 905 C ASP A 55 3.029 -0.257 -0.203 1.00 42.32 C ATOM 906 O ASP A 55 3.413 -1.363 -0.591 1.00 3.43 O ATOM 907 CB ASP A 55 4.530 1.055 -1.694 1.00 60.33 C ATOM 908 CG ASP A 55 5.625 2.086 -1.867 1.00 51.53 C ATOM 909 OD1 ASP A 55 5.302 3.295 -1.892 1.00 32.24 O ATOM 910 OD2 ASP A 55 6.804 1.681 -1.995 1.00 43.23 O ATOM 0 H ASP A 55 5.694 0.006 0.542 1.00 11.50 H new ATOM 0 HA ASP A 55 3.448 1.879 0.002 1.00 51.41 H new ATOM 0 HB2 ASP A 55 4.916 0.079 -1.990 1.00 60.33 H new ATOM 0 HB3 ASP A 55 3.712 1.293 -2.373 1.00 60.33 H new ATOM 915 N ALA A 56 1.786 -0.036 0.259 1.00 72.44 N ATOM 916 CA ALA A 56 0.730 -1.055 0.166 1.00 42.13 C ATOM 917 C ALA A 56 0.089 -1.246 -1.233 1.00 3.15 C ATOM 918 O ALA A 56 -0.121 -2.393 -1.651 1.00 65.22 O ATOM 919 CB ALA A 56 -0.348 -0.774 1.202 1.00 45.22 C ATOM 0 H ALA A 56 1.490 0.836 0.698 1.00 72.44 H new ATOM 0 HA ALA A 56 1.236 -2.000 0.364 1.00 42.13 H new ATOM 0 HB1 ALA A 56 -1.128 -1.531 1.130 1.00 45.22 H new ATOM 0 HB2 ALA A 56 0.091 -0.799 2.200 1.00 45.22 H new ATOM 0 HB3 ALA A 56 -0.780 0.210 1.020 1.00 45.22 H new ATOM 925 N ARG A 57 -0.247 -0.138 -1.942 1.00 2.45 N ATOM 926 CA ARG A 57 -1.069 -0.242 -3.191 1.00 25.33 C ATOM 927 C ARG A 57 -0.324 -0.918 -4.381 1.00 62.13 C ATOM 928 O ARG A 57 -0.985 -1.600 -5.164 1.00 31.23 O ATOM 929 CB ARG A 57 -1.757 1.097 -3.650 1.00 60.22 C ATOM 930 CG ARG A 57 -0.888 2.068 -4.477 1.00 31.22 C ATOM 931 CD ARG A 57 -1.546 3.437 -4.640 1.00 3.02 C ATOM 932 NE ARG A 57 -2.228 3.588 -5.935 1.00 73.32 N ATOM 933 CZ ARG A 57 -3.553 3.481 -6.151 1.00 24.43 C ATOM 934 NH1 ARG A 57 -4.397 3.201 -5.152 1.00 12.35 N ATOM 935 NH2 ARG A 57 -4.024 3.674 -7.379 1.00 51.23 N ATOM 0 H ARG A 57 0.024 0.812 -1.687 1.00 2.45 H new ATOM 0 HA ARG A 57 -1.876 -0.908 -2.887 1.00 25.33 H new ATOM 0 HB2 ARG A 57 -2.639 0.843 -4.238 1.00 60.22 H new ATOM 0 HB3 ARG A 57 -2.106 1.623 -2.762 1.00 60.22 H new ATOM 0 HG2 ARG A 57 0.081 2.188 -3.992 1.00 31.22 H new ATOM 0 HG3 ARG A 57 -0.701 1.637 -5.461 1.00 31.22 H new ATOM 0 HD2 ARG A 57 -2.265 3.588 -3.835 1.00 3.02 H new ATOM 0 HD3 ARG A 57 -0.788 4.214 -4.540 1.00 3.02 H new ATOM 0 HE ARG A 57 -1.643 3.793 -6.745 1.00 73.32 H new ATOM 0 HH11 ARG A 57 -4.040 3.064 -4.206 1.00 12.35 H new ATOM 0 HH12 ARG A 57 -5.397 3.124 -5.336 1.00 12.35 H new ATOM 0 HH21 ARG A 57 -3.384 3.899 -8.141 1.00 51.23 H new ATOM 0 HH22 ARG A 57 -5.025 3.597 -7.559 1.00 51.23 H new ATOM 949 N ASP A 58 1.013 -0.731 -4.558 1.00 4.32 N ATOM 950 CA ASP A 58 1.710 -1.461 -5.656 1.00 24.41 C ATOM 951 C ASP A 58 1.996 -2.999 -5.393 1.00 34.23 C ATOM 952 O ASP A 58 2.006 -3.774 -6.348 1.00 22.24 O ATOM 953 CB ASP A 58 2.974 -0.693 -6.150 1.00 12.43 C ATOM 954 CG ASP A 58 2.616 0.616 -6.835 1.00 52.21 C ATOM 955 OD1 ASP A 58 2.331 1.612 -6.126 1.00 1.20 O ATOM 956 OD2 ASP A 58 2.630 0.663 -8.083 1.00 64.44 O ATOM 0 H ASP A 58 1.602 -0.119 -3.992 1.00 4.32 H new ATOM 0 HA ASP A 58 0.983 -1.478 -6.468 1.00 24.41 H new ATOM 0 HB2 ASP A 58 3.629 -0.491 -5.303 1.00 12.43 H new ATOM 0 HB3 ASP A 58 3.533 -1.323 -6.842 1.00 12.43 H new ATOM 961 N ALA A 59 2.253 -3.440 -4.124 1.00 55.32 N ATOM 962 CA ALA A 59 2.400 -4.867 -3.734 1.00 34.24 C ATOM 963 C ALA A 59 1.081 -5.748 -3.902 1.00 75.44 C ATOM 964 O ALA A 59 1.097 -7.015 -3.859 1.00 3.24 O ATOM 965 CB ALA A 59 3.053 -4.956 -2.349 1.00 5.14 C ATOM 0 H ALA A 59 2.364 -2.801 -3.337 1.00 55.32 H new ATOM 0 HA ALA A 59 3.072 -5.336 -4.453 1.00 34.24 H new ATOM 0 HB1 ALA A 59 3.160 -6.003 -2.064 1.00 5.14 H new ATOM 0 HB2 ALA A 59 4.036 -4.485 -2.379 1.00 5.14 H new ATOM 0 HB3 ALA A 59 2.428 -4.443 -1.618 1.00 5.14 H new ATOM 971 N ALA A 60 -0.070 -5.055 -3.964 1.00 54.13 N ATOM 972 CA ALA A 60 -1.393 -5.641 -4.296 1.00 33.22 C ATOM 973 C ALA A 60 -1.413 -6.563 -5.577 1.00 35.34 C ATOM 974 O ALA A 60 -2.206 -7.529 -5.585 1.00 74.10 O ATOM 975 CB ALA A 60 -2.456 -4.502 -4.393 1.00 2.44 C ATOM 0 H ALA A 60 -0.114 -4.052 -3.782 1.00 54.13 H new ATOM 0 HA ALA A 60 -1.641 -6.319 -3.480 1.00 33.22 H new ATOM 0 HB1 ALA A 60 -3.428 -4.931 -4.637 1.00 2.44 H new ATOM 0 HB2 ALA A 60 -2.519 -3.981 -3.438 1.00 2.44 H new ATOM 0 HB3 ALA A 60 -2.165 -3.798 -5.172 1.00 2.44 H new ATOM 981 N ASP A 61 -0.557 -6.297 -6.633 1.00 21.45 N ATOM 982 CA ASP A 61 -0.280 -7.303 -7.721 1.00 21.41 C ATOM 983 C ASP A 61 0.130 -8.677 -7.141 1.00 43.10 C ATOM 984 O ASP A 61 -0.484 -9.693 -7.464 1.00 44.44 O ATOM 985 CB ASP A 61 0.799 -6.853 -8.734 1.00 13.41 C ATOM 986 CG ASP A 61 0.373 -5.630 -9.517 1.00 12.03 C ATOM 987 OD1 ASP A 61 -0.328 -5.799 -10.542 1.00 62.21 O ATOM 988 OD2 ASP A 61 0.728 -4.510 -9.117 1.00 45.21 O ATOM 0 H ASP A 61 -0.060 -5.413 -6.747 1.00 21.45 H new ATOM 0 HA ASP A 61 -1.225 -7.388 -8.257 1.00 21.41 H new ATOM 0 HB2 ASP A 61 1.726 -6.638 -8.203 1.00 13.41 H new ATOM 0 HB3 ASP A 61 1.010 -7.669 -9.425 1.00 13.41 H new ATOM 993 N ALA A 62 1.132 -8.715 -6.263 1.00 73.21 N ATOM 994 CA ALA A 62 1.504 -9.979 -5.592 1.00 34.32 C ATOM 995 C ALA A 62 0.455 -10.505 -4.653 1.00 42.24 C ATOM 996 O ALA A 62 0.410 -11.722 -4.488 1.00 31.11 O ATOM 997 CB ALA A 62 2.814 -9.995 -4.817 1.00 1.25 C ATOM 0 H ALA A 62 1.696 -7.908 -5.998 1.00 73.21 H new ATOM 0 HA ALA A 62 1.619 -10.616 -6.469 1.00 34.32 H new ATOM 0 HB1 ALA A 62 2.964 -10.981 -4.376 1.00 1.25 H new ATOM 0 HB2 ALA A 62 3.639 -9.770 -5.493 1.00 1.25 H new ATOM 0 HB3 ALA A 62 2.778 -9.245 -4.026 1.00 1.25 H new ATOM 1003 N ILE A 63 -0.368 -9.668 -3.979 1.00 70.42 N ATOM 1004 CA ILE A 63 -1.385 -10.319 -3.135 1.00 3.14 C ATOM 1005 C ILE A 63 -2.551 -10.965 -3.938 1.00 64.22 C ATOM 1006 O ILE A 63 -2.952 -12.074 -3.594 1.00 51.43 O ATOM 1007 CB ILE A 63 -1.873 -9.529 -1.885 1.00 71.30 C ATOM 1008 CG1 ILE A 63 -2.165 -10.604 -0.818 1.00 11.55 C ATOM 1009 CG2 ILE A 63 -3.092 -8.642 -2.145 1.00 12.50 C ATOM 1010 CD1 ILE A 63 -3.163 -10.247 0.250 1.00 74.31 C ATOM 0 H ILE A 63 -0.356 -8.648 -3.995 1.00 70.42 H new ATOM 0 HA ILE A 63 -0.814 -11.138 -2.696 1.00 3.14 H new ATOM 0 HB ILE A 63 -1.109 -8.820 -1.566 1.00 71.30 H new ATOM 0 HG12 ILE A 63 -2.519 -11.501 -1.327 1.00 11.55 H new ATOM 0 HG13 ILE A 63 -1.225 -10.864 -0.331 1.00 11.55 H new ATOM 0 HG21 ILE A 63 -3.369 -8.126 -1.226 1.00 12.50 H new ATOM 0 HG22 ILE A 63 -2.851 -7.908 -2.914 1.00 12.50 H new ATOM 0 HG23 ILE A 63 -3.926 -9.259 -2.481 1.00 12.50 H new ATOM 0 HD11 ILE A 63 -3.278 -11.086 0.936 1.00 74.31 H new ATOM 0 HD12 ILE A 63 -2.811 -9.374 0.800 1.00 74.31 H new ATOM 0 HD13 ILE A 63 -4.124 -10.021 -0.211 1.00 74.31 H new ATOM 1022 N LYS A 64 -3.098 -10.310 -4.988 1.00 63.43 N ATOM 1023 CA LYS A 64 -3.967 -11.026 -5.947 1.00 52.13 C ATOM 1024 C LYS A 64 -3.264 -12.224 -6.656 1.00 70.32 C ATOM 1025 O LYS A 64 -3.929 -13.146 -7.106 1.00 40.51 O ATOM 1026 CB LYS A 64 -4.547 -10.068 -7.033 1.00 30.01 C ATOM 1027 CG LYS A 64 -3.502 -9.286 -7.877 1.00 0.32 C ATOM 1028 CD LYS A 64 -3.121 -9.982 -9.194 1.00 20.24 C ATOM 1029 CE LYS A 64 -2.344 -9.079 -10.155 1.00 13.41 C ATOM 1030 NZ LYS A 64 -3.059 -7.821 -10.497 1.00 72.53 N ATOM 0 H LYS A 64 -2.959 -9.320 -5.189 1.00 63.43 H new ATOM 0 HA LYS A 64 -4.776 -11.427 -5.337 1.00 52.13 H new ATOM 0 HB2 LYS A 64 -5.169 -10.653 -7.711 1.00 30.01 H new ATOM 0 HB3 LYS A 64 -5.201 -9.348 -6.542 1.00 30.01 H new ATOM 0 HG2 LYS A 64 -3.898 -8.296 -8.102 1.00 0.32 H new ATOM 0 HG3 LYS A 64 -2.602 -9.141 -7.280 1.00 0.32 H new ATOM 0 HD2 LYS A 64 -2.521 -10.864 -8.970 1.00 20.24 H new ATOM 0 HD3 LYS A 64 -4.028 -10.331 -9.688 1.00 20.24 H new ATOM 0 HE2 LYS A 64 -1.381 -8.830 -9.709 1.00 13.41 H new ATOM 0 HE3 LYS A 64 -2.137 -9.631 -11.072 1.00 13.41 H new ATOM 0 HZ1 LYS A 64 -2.613 -7.383 -11.328 1.00 72.53 H new ATOM 0 HZ2 LYS A 64 -4.054 -8.034 -10.711 1.00 72.53 H new ATOM 0 HZ3 LYS A 64 -3.011 -7.164 -9.692 1.00 72.53 H new ATOM 1044 N GLU A 65 -1.932 -12.184 -6.812 1.00 22.25 N ATOM 1045 CA GLU A 65 -1.208 -13.276 -7.433 1.00 73.13 C ATOM 1046 C GLU A 65 -1.012 -14.477 -6.474 1.00 24.14 C ATOM 1047 O GLU A 65 -0.942 -15.627 -6.923 1.00 4.32 O ATOM 1048 CB GLU A 65 0.081 -12.660 -7.993 1.00 14.13 C ATOM 1049 CG GLU A 65 1.278 -13.511 -7.878 1.00 2.45 C ATOM 1050 CD GLU A 65 2.511 -12.971 -8.567 1.00 52.40 C ATOM 1051 OE1 GLU A 65 2.475 -12.781 -9.801 1.00 13.21 O ATOM 1052 OE2 GLU A 65 3.536 -12.777 -7.880 1.00 35.13 O ATOM 0 H GLU A 65 -1.346 -11.404 -6.514 1.00 22.25 H new ATOM 0 HA GLU A 65 -1.768 -13.731 -8.250 1.00 73.13 H new ATOM 0 HB2 GLU A 65 -0.076 -12.420 -9.045 1.00 14.13 H new ATOM 0 HB3 GLU A 65 0.271 -11.719 -7.476 1.00 14.13 H new ATOM 0 HG2 GLU A 65 1.504 -13.655 -6.821 1.00 2.45 H new ATOM 0 HG3 GLU A 65 1.049 -14.493 -8.292 1.00 2.45 H new ATOM 1059 N LYS A 66 -0.936 -14.230 -5.169 1.00 53.41 N ATOM 1060 CA LYS A 66 -0.915 -15.317 -4.193 1.00 2.43 C ATOM 1061 C LYS A 66 -2.346 -15.632 -3.592 1.00 54.21 C ATOM 1062 O LYS A 66 -2.428 -16.387 -2.615 1.00 44.22 O ATOM 1063 CB LYS A 66 0.097 -15.016 -3.035 1.00 74.40 C ATOM 1064 CG LYS A 66 1.570 -14.616 -3.380 1.00 0.33 C ATOM 1065 CD LYS A 66 2.251 -15.303 -4.590 1.00 51.24 C ATOM 1066 CE LYS A 66 3.579 -14.607 -4.914 1.00 34.13 C ATOM 1067 NZ LYS A 66 4.258 -15.185 -6.108 1.00 74.33 N ATOM 0 H LYS A 66 -0.888 -13.295 -4.765 1.00 53.41 H new ATOM 0 HA LYS A 66 -0.587 -16.204 -4.735 1.00 2.43 H new ATOM 0 HB2 LYS A 66 -0.327 -14.212 -2.433 1.00 74.40 H new ATOM 0 HB3 LYS A 66 0.140 -15.901 -2.401 1.00 74.40 H new ATOM 0 HG2 LYS A 66 1.591 -13.540 -3.553 1.00 0.33 H new ATOM 0 HG3 LYS A 66 2.182 -14.809 -2.499 1.00 0.33 H new ATOM 0 HD2 LYS A 66 2.428 -16.355 -4.368 1.00 51.24 H new ATOM 0 HD3 LYS A 66 1.592 -15.267 -5.457 1.00 51.24 H new ATOM 0 HE2 LYS A 66 3.396 -13.546 -5.084 1.00 34.13 H new ATOM 0 HE3 LYS A 66 4.243 -14.682 -4.053 1.00 34.13 H new ATOM 0 HZ1 LYS A 66 5.262 -15.346 -5.892 1.00 74.33 H new ATOM 0 HZ2 LYS A 66 3.809 -16.089 -6.359 1.00 74.33 H new ATOM 0 HZ3 LYS A 66 4.177 -14.524 -6.907 1.00 74.33 H new ATOM 1081 N ASP A 67 -3.465 -15.106 -4.184 1.00 25.32 N ATOM 1082 CA ASP A 67 -4.842 -15.191 -3.571 1.00 32.11 C ATOM 1083 C ASP A 67 -5.451 -16.584 -3.727 1.00 42.55 C ATOM 1084 O ASP A 67 -4.953 -17.385 -4.527 1.00 11.51 O ATOM 1085 CB ASP A 67 -5.846 -14.078 -3.890 1.00 74.40 C ATOM 1086 CG ASP A 67 -6.760 -14.362 -5.085 1.00 14.33 C ATOM 1087 OD1 ASP A 67 -6.274 -14.397 -6.225 1.00 54.21 O ATOM 1088 OD2 ASP A 67 -7.976 -14.546 -4.870 1.00 4.55 O ATOM 0 H ASP A 67 -3.445 -14.620 -5.081 1.00 25.32 H new ATOM 0 HA ASP A 67 -4.634 -15.001 -2.518 1.00 32.11 H new ATOM 0 HB2 ASP A 67 -6.465 -13.903 -3.010 1.00 74.40 H new ATOM 0 HB3 ASP A 67 -5.297 -13.156 -4.081 1.00 74.40 H new ATOM 1093 N GLY A 68 -6.516 -16.896 -2.980 1.00 74.14 N ATOM 1094 CA GLY A 68 -6.751 -18.278 -2.657 1.00 44.10 C ATOM 1095 C GLY A 68 -6.826 -18.582 -1.166 1.00 4.31 C ATOM 1096 O GLY A 68 -6.400 -19.675 -0.776 1.00 1.02 O ATOM 0 H GLY A 68 -7.194 -16.231 -2.608 1.00 74.14 H new ATOM 0 HA2 GLY A 68 -7.684 -18.592 -3.125 1.00 44.10 H new ATOM 0 HA3 GLY A 68 -5.955 -18.880 -3.097 1.00 44.10 H new ATOM 1100 N CYS A 69 -7.322 -17.588 -0.325 1.00 74.03 N ATOM 1101 CA CYS A 69 -7.620 -17.805 1.122 1.00 10.13 C ATOM 1102 C CYS A 69 -8.361 -19.104 1.356 1.00 42.43 C ATOM 1103 O CYS A 69 -9.264 -19.449 0.587 1.00 34.23 O ATOM 1104 CB CYS A 69 -8.535 -16.701 1.722 1.00 44.53 C ATOM 1105 SG CYS A 69 -7.949 -15.018 1.531 1.00 23.42 S ATOM 0 H CYS A 69 -7.517 -16.638 -0.642 1.00 74.03 H new ATOM 0 HA CYS A 69 -6.640 -17.802 1.600 1.00 10.13 H new ATOM 0 HB2 CYS A 69 -9.519 -16.779 1.259 1.00 44.53 H new ATOM 0 HB3 CYS A 69 -8.667 -16.902 2.785 1.00 44.53 H new ATOM 0 HG CYS A 69 -6.655 -15.021 1.406 1.00 23.42 H new ATOM 1111 N ASP A 70 -7.958 -19.805 2.457 1.00 51.11 N ATOM 1112 CA ASP A 70 -8.394 -21.214 2.725 1.00 12.23 C ATOM 1113 C ASP A 70 -9.916 -21.305 2.799 1.00 71.43 C ATOM 1114 O ASP A 70 -10.499 -20.922 3.783 1.00 10.43 O ATOM 1115 CB ASP A 70 -7.777 -21.753 4.071 1.00 0.00 C ATOM 1116 CG ASP A 70 -8.369 -23.078 4.584 1.00 64.53 C ATOM 1117 OD1 ASP A 70 -8.744 -23.959 3.769 1.00 31.30 O ATOM 1118 OD2 ASP A 70 -8.437 -23.248 5.818 1.00 4.14 O ATOM 0 H ASP A 70 -7.336 -19.422 3.170 1.00 51.11 H new ATOM 0 HA ASP A 70 -8.035 -21.828 1.899 1.00 12.23 H new ATOM 0 HB2 ASP A 70 -6.704 -21.884 3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.909 -20.993 4.841 1.00 0.00 H new ATOM 1123 N PHE A 71 -10.509 -21.757 1.670 1.00 70.42 N ATOM 1124 CA PHE A 71 -11.944 -21.845 1.445 1.00 23.31 C ATOM 1125 C PHE A 71 -12.234 -22.911 0.385 1.00 12.13 C ATOM 1126 O PHE A 71 -11.452 -23.040 -0.564 1.00 42.44 O ATOM 1127 CB PHE A 71 -12.552 -20.494 1.042 1.00 1.23 C ATOM 1128 CG PHE A 71 -13.440 -19.912 2.106 1.00 42.22 C ATOM 1129 CD1 PHE A 71 -14.689 -20.458 2.348 1.00 2.41 C ATOM 1130 CD2 PHE A 71 -13.029 -18.830 2.866 1.00 51.11 C ATOM 1131 CE1 PHE A 71 -15.511 -19.940 3.328 1.00 75.44 C ATOM 1132 CE2 PHE A 71 -13.849 -18.307 3.847 1.00 45.10 C ATOM 1133 CZ PHE A 71 -15.093 -18.861 4.076 1.00 43.33 C ATOM 0 H PHE A 71 -9.967 -22.079 0.868 1.00 70.42 H new ATOM 0 HA PHE A 71 -12.415 -22.132 2.385 1.00 23.31 H new ATOM 0 HB2 PHE A 71 -11.749 -19.791 0.822 1.00 1.23 H new ATOM 0 HB3 PHE A 71 -13.127 -20.619 0.124 1.00 1.23 H new ATOM 0 HD1 PHE A 71 -15.025 -21.301 1.762 1.00 2.41 H new ATOM 0 HD2 PHE A 71 -12.058 -18.391 2.690 1.00 51.11 H new ATOM 0 HE1 PHE A 71 -16.481 -20.380 3.508 1.00 75.44 H new ATOM 0 HE2 PHE A 71 -13.517 -17.464 4.435 1.00 45.10 H new ATOM 0 HZ PHE A 71 -15.737 -18.450 4.839 1.00 43.33 H new ATOM 1143 N GLU A 72 -13.288 -23.720 0.579 1.00 64.35 N ATOM 1144 CA GLU A 72 -13.832 -24.637 -0.489 1.00 4.02 C ATOM 1145 C GLU A 72 -12.817 -25.762 -0.864 1.00 73.23 C ATOM 1146 O GLU A 72 -12.554 -25.999 -2.052 1.00 20.53 O ATOM 1147 CB GLU A 72 -14.202 -23.899 -1.851 1.00 14.23 C ATOM 1148 CG GLU A 72 -14.973 -22.556 -1.838 1.00 20.13 C ATOM 1149 CD GLU A 72 -15.245 -22.060 -3.250 1.00 11.24 C ATOM 1150 OE1 GLU A 72 -14.350 -21.409 -3.826 1.00 61.44 O ATOM 1151 OE2 GLU A 72 -16.347 -22.314 -3.788 1.00 51.20 O ATOM 0 H GLU A 72 -13.796 -23.772 1.462 1.00 64.35 H new ATOM 0 HA GLU A 72 -14.737 -25.044 -0.038 1.00 4.02 H new ATOM 0 HB2 GLU A 72 -13.268 -23.728 -2.387 1.00 14.23 H new ATOM 0 HB3 GLU A 72 -14.788 -24.599 -2.447 1.00 14.23 H new ATOM 0 HG2 GLU A 72 -15.916 -22.681 -1.306 1.00 20.13 H new ATOM 0 HG3 GLU A 72 -14.397 -21.809 -1.293 1.00 20.13 H new ATOM 1158 N GLY A 73 -12.291 -26.491 0.133 1.00 24.44 N ATOM 1159 CA GLY A 73 -11.315 -27.553 -0.142 1.00 21.23 C ATOM 1160 C GLY A 73 -9.854 -27.129 -0.388 1.00 53.32 C ATOM 1161 O GLY A 73 -8.971 -27.999 -0.391 1.00 43.24 O ATOM 0 H GLY A 73 -12.521 -26.367 1.119 1.00 24.44 H new ATOM 0 HA2 GLY A 73 -11.327 -28.247 0.698 1.00 21.23 H new ATOM 0 HA3 GLY A 73 -11.657 -28.106 -1.017 1.00 21.23 H new ATOM 1165 N ASN A 74 -9.563 -25.840 -0.564 1.00 11.41 N ATOM 1166 CA ASN A 74 -8.168 -25.424 -0.853 1.00 51.15 C ATOM 1167 C ASN A 74 -7.654 -24.584 0.310 1.00 10.44 C ATOM 1168 O ASN A 74 -8.205 -23.531 0.584 1.00 23.52 O ATOM 1169 CB ASN A 74 -8.045 -24.636 -2.209 1.00 62.30 C ATOM 1170 CG ASN A 74 -6.647 -24.076 -2.465 1.00 74.51 C ATOM 1171 OD1 ASN A 74 -5.772 -24.773 -2.977 1.00 33.22 O ATOM 1172 ND2 ASN A 74 -6.441 -22.806 -2.138 1.00 4.32 N ATOM 0 H ASN A 74 -10.241 -25.079 -0.516 1.00 11.41 H new ATOM 0 HA ASN A 74 -7.559 -26.321 -0.964 1.00 51.15 H new ATOM 0 HB2 ASN A 74 -8.318 -25.298 -3.031 1.00 62.30 H new ATOM 0 HB3 ASN A 74 -8.762 -23.815 -2.209 1.00 62.30 H new ATOM 0 HD21 ASN A 74 -5.532 -22.376 -2.310 1.00 4.32 H new ATOM 0 HD22 ASN A 74 -7.192 -22.260 -1.715 1.00 4.32 H new ATOM 1179 N LYS A 75 -6.585 -25.049 0.977 1.00 21.44 N ATOM 1180 CA LYS A 75 -6.069 -24.334 2.165 1.00 65.13 C ATOM 1181 C LYS A 75 -4.900 -23.374 1.849 1.00 70.32 C ATOM 1182 O LYS A 75 -3.795 -23.833 1.575 1.00 4.33 O ATOM 1183 CB LYS A 75 -5.705 -25.255 3.393 1.00 43.00 C ATOM 1184 CG LYS A 75 -4.651 -26.376 3.208 1.00 1.01 C ATOM 1185 CD LYS A 75 -5.083 -27.617 2.337 1.00 20.40 C ATOM 1186 CE LYS A 75 -6.560 -28.105 2.505 1.00 13.15 C ATOM 1187 NZ LYS A 75 -6.927 -28.412 3.915 1.00 65.44 N ATOM 0 H LYS A 75 -6.070 -25.893 0.726 1.00 21.44 H new ATOM 0 HA LYS A 75 -6.926 -23.735 2.473 1.00 65.13 H new ATOM 0 HB2 LYS A 75 -5.358 -24.607 4.198 1.00 43.00 H new ATOM 0 HB3 LYS A 75 -6.627 -25.724 3.736 1.00 43.00 H new ATOM 0 HG2 LYS A 75 -3.762 -25.936 2.756 1.00 1.01 H new ATOM 0 HG3 LYS A 75 -4.361 -26.737 4.195 1.00 1.01 H new ATOM 0 HD2 LYS A 75 -4.922 -27.370 1.288 1.00 20.40 H new ATOM 0 HD3 LYS A 75 -4.419 -28.449 2.574 1.00 20.40 H new ATOM 0 HE2 LYS A 75 -7.233 -27.339 2.121 1.00 13.15 H new ATOM 0 HE3 LYS A 75 -6.711 -28.996 1.896 1.00 13.15 H new ATOM 0 HZ1 LYS A 75 -7.489 -29.287 3.945 1.00 65.44 H new ATOM 0 HZ2 LYS A 75 -6.062 -28.536 4.480 1.00 65.44 H new ATOM 0 HZ3 LYS A 75 -7.486 -27.628 4.307 1.00 65.44 H new ATOM 1201 N LEU A 76 -5.134 -22.039 1.880 1.00 42.13 N ATOM 1202 CA LEU A 76 -4.012 -21.056 1.897 1.00 74.04 C ATOM 1203 C LEU A 76 -4.556 -19.757 2.436 1.00 41.24 C ATOM 1204 O LEU A 76 -5.269 -19.137 1.751 1.00 13.12 O ATOM 1205 CB LEU A 76 -3.364 -20.739 0.500 1.00 24.01 C ATOM 1206 CG LEU A 76 -2.171 -21.598 0.056 1.00 73.45 C ATOM 1207 CD1 LEU A 76 -2.516 -22.364 -1.213 1.00 1.30 C ATOM 1208 CD2 LEU A 76 -0.953 -20.719 -0.192 1.00 14.41 C ATOM 0 H LEU A 76 -6.064 -21.621 1.894 1.00 42.13 H new ATOM 0 HA LEU A 76 -3.228 -21.508 2.504 1.00 74.04 H new ATOM 0 HB2 LEU A 76 -4.142 -20.827 -0.258 1.00 24.01 H new ATOM 0 HB3 LEU A 76 -3.043 -19.697 0.508 1.00 24.01 H new ATOM 0 HG LEU A 76 -1.943 -22.309 0.850 1.00 73.45 H new ATOM 0 HD11 LEU A 76 -1.661 -22.969 -1.517 1.00 1.30 H new ATOM 0 HD12 LEU A 76 -3.371 -23.013 -1.025 1.00 1.30 H new ATOM 0 HD13 LEU A 76 -2.763 -21.660 -2.007 1.00 1.30 H new ATOM 0 HD21 LEU A 76 -0.114 -21.340 -0.506 1.00 14.41 H new ATOM 0 HD22 LEU A 76 -1.181 -19.994 -0.974 1.00 14.41 H new ATOM 0 HD23 LEU A 76 -0.691 -20.193 0.726 1.00 14.41 H new ATOM 1220 N ARG A 77 -4.242 -19.294 3.626 1.00 35.31 N ATOM 1221 CA ARG A 77 -4.909 -18.070 4.079 1.00 31.51 C ATOM 1222 C ARG A 77 -4.038 -16.859 3.645 1.00 32.34 C ATOM 1223 O ARG A 77 -2.976 -16.650 4.200 1.00 52.45 O ATOM 1224 CB ARG A 77 -5.079 -18.171 5.633 1.00 63.31 C ATOM 1225 CG ARG A 77 -5.360 -16.857 6.426 1.00 64.11 C ATOM 1226 CD ARG A 77 -6.676 -16.125 6.096 1.00 41.11 C ATOM 1227 NE ARG A 77 -6.743 -14.822 6.777 1.00 72.03 N ATOM 1228 CZ ARG A 77 -7.403 -14.592 7.930 1.00 51.40 C ATOM 1229 NH1 ARG A 77 -8.048 -15.592 8.542 1.00 42.33 N ATOM 1230 NH2 ARG A 77 -7.423 -13.369 8.454 1.00 13.22 N ATOM 0 H ARG A 77 -3.571 -19.709 4.273 1.00 35.31 H new ATOM 0 HA ARG A 77 -5.898 -17.939 3.639 1.00 31.51 H new ATOM 0 HB2 ARG A 77 -5.896 -18.864 5.835 1.00 63.31 H new ATOM 0 HB3 ARG A 77 -4.172 -18.619 6.040 1.00 63.31 H new ATOM 0 HG2 ARG A 77 -5.358 -17.093 7.490 1.00 64.11 H new ATOM 0 HG3 ARG A 77 -4.533 -16.169 6.251 1.00 64.11 H new ATOM 0 HD2 ARG A 77 -6.755 -15.980 5.019 1.00 41.11 H new ATOM 0 HD3 ARG A 77 -7.524 -16.740 6.398 1.00 41.11 H new ATOM 0 HE ARG A 77 -6.255 -14.037 6.346 1.00 72.03 H new ATOM 0 HH11 ARG A 77 -8.040 -16.528 8.136 1.00 42.33 H new ATOM 0 HH12 ARG A 77 -8.547 -15.418 9.414 1.00 42.33 H new ATOM 0 HH21 ARG A 77 -6.939 -12.605 7.983 1.00 13.22 H new ATOM 0 HH22 ARG A 77 -7.923 -13.196 9.326 1.00 13.22 H new ATOM 1244 N VAL A 78 -4.462 -16.059 2.630 1.00 24.11 N ATOM 1245 CA VAL A 78 -3.629 -14.925 2.205 1.00 21.50 C ATOM 1246 C VAL A 78 -4.496 -13.637 2.214 1.00 11.03 C ATOM 1247 O VAL A 78 -5.336 -13.492 1.326 1.00 41.12 O ATOM 1248 CB VAL A 78 -3.027 -15.182 0.755 1.00 1.51 C ATOM 1249 CG1 VAL A 78 -2.133 -14.039 0.331 1.00 55.21 C ATOM 1250 CG2 VAL A 78 -2.210 -16.480 0.679 1.00 43.40 C ATOM 0 H VAL A 78 -5.336 -16.177 2.117 1.00 24.11 H new ATOM 0 HA VAL A 78 -2.793 -14.809 2.895 1.00 21.50 H new ATOM 0 HB VAL A 78 -3.884 -15.265 0.086 1.00 1.51 H new ATOM 0 HG11 VAL A 78 -1.734 -14.239 -0.663 1.00 55.21 H new ATOM 0 HG12 VAL A 78 -2.709 -13.114 0.312 1.00 55.21 H new ATOM 0 HG13 VAL A 78 -1.310 -13.939 1.039 1.00 55.21 H new ATOM 0 HG21 VAL A 78 -1.822 -16.607 -0.332 1.00 43.40 H new ATOM 0 HG22 VAL A 78 -1.379 -16.429 1.383 1.00 43.40 H new ATOM 0 HG23 VAL A 78 -2.848 -17.327 0.932 1.00 43.40 H new ATOM 1260 N GLU A 79 -4.262 -12.648 3.128 1.00 23.15 N ATOM 1261 CA GLU A 79 -5.263 -11.592 3.324 1.00 53.22 C ATOM 1262 C GLU A 79 -4.584 -10.270 3.738 1.00 11.34 C ATOM 1263 O GLU A 79 -3.657 -10.271 4.587 1.00 2.35 O ATOM 1264 CB GLU A 79 -6.265 -12.154 4.389 1.00 23.15 C ATOM 1265 CG GLU A 79 -7.335 -11.214 4.983 1.00 42.15 C ATOM 1266 CD GLU A 79 -8.520 -11.981 5.515 1.00 64.32 C ATOM 1267 OE1 GLU A 79 -8.929 -12.967 4.873 1.00 35.54 O ATOM 1268 OE2 GLU A 79 -9.044 -11.598 6.570 1.00 14.11 O ATOM 0 H GLU A 79 -3.426 -12.572 3.708 1.00 23.15 H new ATOM 0 HA GLU A 79 -5.804 -11.344 2.411 1.00 53.22 H new ATOM 0 HB2 GLU A 79 -6.784 -12.999 3.937 1.00 23.15 H new ATOM 0 HB3 GLU A 79 -5.677 -12.547 5.218 1.00 23.15 H new ATOM 0 HG2 GLU A 79 -6.894 -10.623 5.786 1.00 42.15 H new ATOM 0 HG3 GLU A 79 -7.669 -10.514 4.218 1.00 42.15 H new ATOM 1275 N VAL A 80 -4.995 -9.137 3.086 1.00 44.31 N ATOM 1276 CA VAL A 80 -4.676 -7.811 3.607 1.00 43.42 C ATOM 1277 C VAL A 80 -5.522 -7.463 4.856 1.00 42.42 C ATOM 1278 O VAL A 80 -6.742 -7.609 4.863 1.00 45.24 O ATOM 1279 CB VAL A 80 -4.833 -6.678 2.534 1.00 73.11 C ATOM 1280 CG1 VAL A 80 -3.841 -6.853 1.403 1.00 51.31 C ATOM 1281 CG2 VAL A 80 -6.236 -6.624 1.945 1.00 61.42 C ATOM 0 H VAL A 80 -5.534 -9.136 2.220 1.00 44.31 H new ATOM 0 HA VAL A 80 -3.625 -7.858 3.892 1.00 43.42 H new ATOM 0 HB VAL A 80 -4.639 -5.742 3.058 1.00 73.11 H new ATOM 0 HG11 VAL A 80 -3.974 -6.053 0.675 1.00 51.31 H new ATOM 0 HG12 VAL A 80 -2.827 -6.817 1.800 1.00 51.31 H new ATOM 0 HG13 VAL A 80 -4.007 -7.815 0.919 1.00 51.31 H new ATOM 0 HG21 VAL A 80 -6.291 -5.823 1.208 1.00 61.42 H new ATOM 0 HG22 VAL A 80 -6.466 -7.575 1.465 1.00 61.42 H new ATOM 0 HG23 VAL A 80 -6.957 -6.435 2.740 1.00 61.42 H new ATOM 1291 N PRO A 81 -4.855 -7.084 5.964 1.00 24.12 N ATOM 1292 CA PRO A 81 -5.491 -6.412 7.094 1.00 53.30 C ATOM 1293 C PRO A 81 -5.354 -4.874 7.067 1.00 35.32 C ATOM 1294 O PRO A 81 -5.555 -4.225 8.093 1.00 11.44 O ATOM 1295 CB PRO A 81 -4.737 -7.006 8.283 1.00 24.43 C ATOM 1296 CG PRO A 81 -3.362 -7.286 7.779 1.00 40.12 C ATOM 1297 CD PRO A 81 -3.459 -7.433 6.275 1.00 41.45 C ATOM 0 HA PRO A 81 -6.570 -6.568 7.108 1.00 53.30 H new ATOM 0 HB2 PRO A 81 -4.714 -6.310 9.121 1.00 24.43 H new ATOM 0 HB3 PRO A 81 -5.218 -7.917 8.638 1.00 24.43 H new ATOM 0 HG2 PRO A 81 -2.683 -6.476 8.044 1.00 40.12 H new ATOM 0 HG3 PRO A 81 -2.964 -8.195 8.230 1.00 40.12 H new ATOM 0 HD2 PRO A 81 -2.760 -6.770 5.765 1.00 41.45 H new ATOM 0 HD3 PRO A 81 -3.223 -8.449 5.959 1.00 41.45 H new ATOM 1305 N PHE A 82 -5.015 -4.298 5.905 1.00 34.40 N ATOM 1306 CA PHE A 82 -4.942 -2.832 5.789 1.00 50.53 C ATOM 1307 C PHE A 82 -6.006 -2.276 4.835 1.00 60.11 C ATOM 1308 O PHE A 82 -6.427 -1.129 4.986 1.00 43.33 O ATOM 1309 CB PHE A 82 -3.529 -2.308 5.383 1.00 23.13 C ATOM 1310 CG PHE A 82 -2.865 -2.964 4.184 1.00 51.15 C ATOM 1311 CD1 PHE A 82 -3.347 -2.799 2.888 1.00 35.21 C ATOM 1312 CD2 PHE A 82 -1.727 -3.720 4.365 1.00 75.32 C ATOM 1313 CE1 PHE A 82 -2.714 -3.387 1.813 1.00 42.54 C ATOM 1314 CE2 PHE A 82 -1.085 -4.302 3.303 1.00 1.25 C ATOM 1315 CZ PHE A 82 -1.572 -4.139 2.023 1.00 72.23 C ATOM 0 H PHE A 82 -4.792 -4.808 5.051 1.00 34.40 H new ATOM 0 HA PHE A 82 -5.144 -2.460 6.793 1.00 50.53 H new ATOM 0 HB2 PHE A 82 -3.609 -1.240 5.182 1.00 23.13 H new ATOM 0 HB3 PHE A 82 -2.867 -2.422 6.241 1.00 23.13 H new ATOM 0 HD1 PHE A 82 -4.231 -2.201 2.722 1.00 35.21 H new ATOM 0 HD2 PHE A 82 -1.334 -3.856 5.362 1.00 75.32 H new ATOM 0 HE1 PHE A 82 -3.107 -3.261 0.815 1.00 42.54 H new ATOM 0 HE2 PHE A 82 -0.195 -4.890 3.469 1.00 1.25 H new ATOM 0 HZ PHE A 82 -1.064 -4.597 1.187 1.00 72.23 H new ATOM 1325 N ASN A 83 -6.428 -3.125 3.880 1.00 30.43 N ATOM 1326 CA ASN A 83 -7.387 -2.771 2.801 1.00 64.01 C ATOM 1327 C ASN A 83 -6.945 -1.524 1.958 1.00 35.52 C ATOM 1328 O ASN A 83 -7.490 -0.427 2.131 1.00 2.22 O ATOM 1329 CB ASN A 83 -8.820 -2.582 3.365 1.00 72.44 C ATOM 1330 CG ASN A 83 -9.459 -3.881 3.861 1.00 72.33 C ATOM 1331 OD1 ASN A 83 -8.780 -4.829 4.281 1.00 35.23 O ATOM 1332 ND2 ASN A 83 -10.779 -3.933 3.811 1.00 13.31 N ATOM 0 H ASN A 83 -6.111 -4.093 3.830 1.00 30.43 H new ATOM 0 HA ASN A 83 -7.391 -3.616 2.113 1.00 64.01 H new ATOM 0 HB2 ASN A 83 -8.787 -1.866 4.187 1.00 72.44 H new ATOM 0 HB3 ASN A 83 -9.452 -2.149 2.590 1.00 72.44 H new ATOM 0 HD21 ASN A 83 -11.269 -4.771 4.124 1.00 13.31 H new ATOM 0 HD22 ASN A 83 -11.308 -3.135 3.460 1.00 13.31 H new