USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot -118:sc= 0.0354 USER MOD Set 1.2: A 14 THR OG1 : rot -133:sc= 0.324 USER MOD Set 1.3: A 59 TYR OH : rot 180:sc= -0.12 USER MOD Set 2.1: A 28 THR OG1 : rot 150:sc= 1.13 USER MOD Set 2.2: A 50 SER OG : rot 172:sc= 1.11 USER MOD Single : A 9 ASN :FLIP amide:sc= -0.105 F(o=-0.64,f=-0.1) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.358 K(o=-0.36,f=-1.1) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.54) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 36 THR OG1 : rot 141:sc= 0.697 USER MOD Single : A 41 ASN : amide:sc= -2.95 X(o=-2.9,f=-2.7!) USER MOD Single : A 43 THR OG1 : rot 42:sc= 0.224 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.235 K(o=-0.24,f=-4.6!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.416 USER MOD Single : A 56 TYR OH : rot -165:sc= -5.17! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.143 F(o=-0.68,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 163 N GLY A 8 -5.509 -12.805 17.164 1.00 4.54 N ATOM 164 CA GLY A 8 -5.907 -13.573 18.330 1.00 1.12 C ATOM 165 C GLY A 8 -7.375 -13.398 18.666 1.00 12.44 C ATOM 166 O GLY A 8 -7.858 -12.275 18.802 1.00 42.34 O ATOM 0 HA2 GLY A 8 -5.701 -14.629 18.153 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -5.303 -13.269 19.185 1.00 1.12 H new ATOM 170 N ASN A 9 -8.086 -14.512 18.800 1.00 51.20 N ATOM 171 CA ASN A 9 -9.509 -14.477 19.120 1.00 63.11 C ATOM 172 C ASN A 9 -9.925 -15.728 19.888 1.00 4.24 C ATOM 173 O ASN A 9 -9.662 -16.850 19.456 1.00 20.25 O ATOM 174 CB ASN A 9 -10.339 -14.351 17.841 1.00 62.31 C ATOM 175 CG ASN A 9 -11.792 -14.728 18.054 1.00 62.52 C ATOM 176 OD1 ASN A 9 -12.370 -14.253 19.151 1.00 73.41 O flip ATOM 177 ND2 ASN A 9 -12.387 -15.437 17.243 1.00 54.03 N flip ATOM 0 H ASN A 9 -7.701 -15.450 18.692 1.00 51.20 H new ATOM 0 HA ASN A 9 -9.692 -13.607 19.751 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -10.283 -13.326 17.474 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -9.910 -14.990 17.069 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -11.903 -15.780 16.413 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -13.365 -15.682 17.400 1.00 54.03 H new ATOM 184 N VAL A 10 -10.576 -15.526 21.030 1.00 11.42 N ATOM 185 CA VAL A 10 -11.030 -16.637 21.857 1.00 24.54 C ATOM 186 C VAL A 10 -12.548 -16.635 21.995 1.00 65.31 C ATOM 187 O VAL A 10 -13.154 -15.610 22.311 1.00 73.33 O ATOM 188 CB VAL A 10 -10.399 -16.585 23.261 1.00 72.34 C ATOM 189 CG1 VAL A 10 -10.939 -17.709 24.132 1.00 4.15 C ATOM 190 CG2 VAL A 10 -8.882 -16.656 23.166 1.00 42.41 C ATOM 0 H VAL A 10 -10.800 -14.603 21.403 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.714 -17.553 21.358 1.00 24.54 H new ATOM 0 HB VAL A 10 -10.668 -15.636 23.726 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.481 -17.656 25.120 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -12.020 -17.608 24.227 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.703 -18.670 23.674 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.453 -16.618 24.167 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.591 -17.588 22.681 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.514 -15.813 22.581 1.00 42.41 H new ATOM 200 N THR A 11 -13.160 -17.790 21.756 1.00 10.10 N ATOM 201 CA THR A 11 -14.608 -17.923 21.852 1.00 34.03 C ATOM 202 C THR A 11 -14.995 -19.080 22.766 1.00 20.04 C ATOM 203 O THR A 11 -14.149 -19.884 23.158 1.00 73.43 O ATOM 204 CB THR A 11 -15.245 -18.143 20.467 1.00 22.23 C ATOM 205 OG1 THR A 11 -14.540 -19.170 19.761 1.00 45.23 O ATOM 206 CG2 THR A 11 -15.228 -16.858 19.653 1.00 3.03 C ATOM 0 H THR A 11 -12.675 -18.648 21.494 1.00 10.10 H new ATOM 0 HA THR A 11 -14.983 -16.990 22.273 1.00 34.03 H new ATOM 0 HB THR A 11 -16.281 -18.448 20.613 1.00 22.23 H new ATOM 0 HG1 THR A 11 -14.952 -19.305 18.882 1.00 45.23 H new ATOM 0 HG21 THR A 11 -15.683 -17.038 18.679 1.00 3.03 H new ATOM 0 HG22 THR A 11 -15.790 -16.087 20.179 1.00 3.03 H new ATOM 0 HG23 THR A 11 -14.198 -16.527 19.517 1.00 3.03 H new ATOM 214 N SER A 12 -16.278 -19.160 23.101 1.00 72.20 N ATOM 215 CA SER A 12 -16.777 -20.217 23.972 1.00 63.13 C ATOM 216 C SER A 12 -17.191 -21.441 23.159 1.00 64.31 C ATOM 217 O SER A 12 -17.522 -21.334 21.979 1.00 41.10 O ATOM 218 CB SER A 12 -17.964 -19.713 24.795 1.00 31.13 C ATOM 219 OG SER A 12 -17.900 -20.188 26.129 1.00 24.24 O ATOM 0 H SER A 12 -16.992 -18.505 22.782 1.00 72.20 H new ATOM 0 HA SER A 12 -15.972 -20.506 24.648 1.00 63.13 H new ATOM 0 HB2 SER A 12 -17.974 -18.623 24.794 1.00 31.13 H new ATOM 0 HB3 SER A 12 -18.896 -20.041 24.334 1.00 31.13 H new ATOM 0 HG SER A 12 -18.687 -20.741 26.317 1.00 24.24 H new ATOM 225 N LYS A 13 -17.169 -22.604 23.801 1.00 44.22 N ATOM 226 CA LYS A 13 -17.541 -23.850 23.141 1.00 60.22 C ATOM 227 C LYS A 13 -19.022 -24.153 23.348 1.00 54.30 C ATOM 228 O LYS A 13 -19.464 -25.290 23.177 1.00 2.34 O ATOM 229 CB LYS A 13 -16.694 -25.008 23.672 1.00 51.22 C ATOM 230 CG LYS A 13 -16.521 -26.141 22.678 1.00 2.31 C ATOM 231 CD LYS A 13 -16.055 -27.416 23.361 1.00 13.33 C ATOM 232 CE LYS A 13 -16.174 -28.619 22.438 1.00 53.45 C ATOM 233 NZ LYS A 13 -16.084 -29.904 23.186 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.897 -22.710 24.778 1.00 44.22 H new ATOM 0 HA LYS A 13 -17.356 -23.735 22.073 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -15.711 -24.629 23.953 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -17.156 -25.399 24.579 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -17.466 -26.325 22.167 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -15.798 -25.850 21.916 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -15.019 -27.302 23.679 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -16.648 -27.586 24.260 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -17.124 -28.575 21.905 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -15.385 -28.580 21.687 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -16.169 -30.699 22.521 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -15.167 -29.958 23.674 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -16.852 -29.953 23.885 1.00 51.21 H new ATOM 247 N THR A 14 -19.786 -23.128 23.716 1.00 41.41 N ATOM 248 CA THR A 14 -21.217 -23.286 23.945 1.00 75.14 C ATOM 249 C THR A 14 -22.015 -22.949 22.692 1.00 53.42 C ATOM 250 O THR A 14 -22.758 -23.784 22.175 1.00 1.11 O ATOM 251 CB THR A 14 -21.701 -22.392 25.104 1.00 22.31 C ATOM 252 OG1 THR A 14 -20.693 -21.431 25.434 1.00 34.11 O ATOM 253 CG2 THR A 14 -22.033 -23.229 26.330 1.00 0.42 C ATOM 0 H THR A 14 -19.437 -22.181 23.862 1.00 41.41 H new ATOM 0 HA THR A 14 -21.382 -24.331 24.207 1.00 75.14 H new ATOM 0 HB THR A 14 -22.604 -21.874 24.782 1.00 22.31 H new ATOM 0 HG1 THR A 14 -20.564 -21.413 26.405 1.00 34.11 H new ATOM 0 HG21 THR A 14 -22.372 -22.577 27.135 1.00 0.42 H new ATOM 0 HG22 THR A 14 -22.821 -23.940 26.083 1.00 0.42 H new ATOM 0 HG23 THR A 14 -21.144 -23.771 26.652 1.00 0.42 H new ATOM 261 N ASP A 15 -21.856 -21.724 22.205 1.00 13.30 N ATOM 262 CA ASP A 15 -22.562 -21.278 21.009 1.00 3.24 C ATOM 263 C ASP A 15 -21.577 -20.854 19.924 1.00 54.23 C ATOM 264 O ASP A 15 -21.888 -20.907 18.735 1.00 30.21 O ATOM 265 CB ASP A 15 -23.499 -20.117 21.347 1.00 34.54 C ATOM 266 CG ASP A 15 -24.792 -20.585 21.984 1.00 5.42 C ATOM 267 OD1 ASP A 15 -25.200 -19.989 23.002 1.00 25.13 O ATOM 268 OD2 ASP A 15 -25.397 -21.546 21.464 1.00 72.52 O1- ATOM 0 H ASP A 15 -21.244 -21.021 22.620 1.00 13.30 H new ATOM 0 HA ASP A 15 -23.153 -22.113 20.632 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -22.992 -19.429 22.024 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -23.726 -19.560 20.438 1.00 34.54 H new ATOM 273 N GLY A 16 -20.388 -20.431 20.342 1.00 45.50 N ATOM 274 CA GLY A 16 -19.377 -20.003 19.394 1.00 13.14 C ATOM 275 C GLY A 16 -19.206 -18.497 19.369 1.00 50.04 C ATOM 276 O GLY A 16 -18.839 -17.925 18.343 1.00 53.34 O ATOM 0 H GLY A 16 -20.107 -20.377 21.321 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -18.425 -20.469 19.647 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -19.647 -20.351 18.397 1.00 13.14 H new ATOM 280 N GLN A 17 -19.473 -17.853 20.502 1.00 15.14 N ATOM 281 CA GLN A 17 -19.349 -16.405 20.604 1.00 71.43 C ATOM 282 C GLN A 17 -18.043 -16.017 21.289 1.00 32.32 C ATOM 283 O GLN A 17 -17.476 -16.778 22.075 1.00 12.20 O ATOM 284 CB GLN A 17 -20.535 -15.823 21.375 1.00 54.31 C ATOM 285 CG GLN A 17 -20.637 -16.328 22.806 1.00 63.40 C ATOM 286 CD GLN A 17 -22.072 -16.516 23.257 1.00 73.24 C ATOM 287 OE1 GLN A 17 -22.518 -17.639 23.498 1.00 3.00 O ATOM 288 NE2 GLN A 17 -22.805 -15.415 23.373 1.00 74.15 N ATOM 0 H GLN A 17 -19.776 -18.312 21.361 1.00 15.14 H new ATOM 0 HA GLN A 17 -19.344 -15.995 19.594 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.452 -14.736 21.387 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -21.456 -16.066 20.846 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -20.106 -17.276 22.891 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -20.140 -15.623 23.472 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -22.395 -14.505 23.163 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -23.778 -15.479 23.672 1.00 74.15 H new ATOM 297 N PRO A 18 -17.550 -14.807 20.986 1.00 51.11 N ATOM 298 CA PRO A 18 -16.305 -14.291 21.562 1.00 61.23 C ATOM 299 C PRO A 18 -16.442 -13.972 23.047 1.00 5.35 C ATOM 300 O PRO A 18 -17.509 -13.567 23.507 1.00 41.13 O ATOM 301 CB PRO A 18 -16.046 -13.014 20.762 1.00 11.54 C ATOM 302 CG PRO A 18 -17.392 -12.584 20.287 1.00 0.34 C ATOM 303 CD PRO A 18 -18.172 -13.849 20.057 1.00 14.12 C ATOM 0 HA PRO A 18 -15.496 -15.019 21.502 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -15.581 -12.247 21.381 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -15.372 -13.201 19.926 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -17.883 -11.951 21.026 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -17.314 -12.001 19.369 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.232 -13.712 20.271 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -18.097 -14.185 19.023 1.00 14.12 H new ATOM 311 N ILE A 19 -15.356 -14.156 23.789 1.00 51.31 N ATOM 312 CA ILE A 19 -15.356 -13.886 25.222 1.00 72.32 C ATOM 313 C ILE A 19 -14.873 -12.468 25.513 1.00 61.13 C ATOM 314 O ILE A 19 -13.750 -12.102 25.169 1.00 31.30 O ATOM 315 CB ILE A 19 -14.466 -14.885 25.984 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.698 -16.306 25.465 1.00 63.22 C ATOM 317 CG2 ILE A 19 -14.743 -14.809 27.477 1.00 24.05 C ATOM 318 CD1 ILE A 19 -16.135 -16.762 25.576 1.00 75.31 C ATOM 0 H ILE A 19 -14.465 -14.491 23.422 1.00 51.31 H new ATOM 0 HA ILE A 19 -16.385 -13.996 25.564 1.00 72.32 H new ATOM 0 HB ILE A 19 -13.422 -14.622 25.815 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.388 -16.358 24.421 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -14.062 -16.995 26.021 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -14.106 -15.521 28.002 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -14.533 -13.801 27.835 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -15.789 -15.050 27.666 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -16.225 -17.777 25.190 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -16.443 -16.743 26.621 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.774 -16.095 24.997 1.00 75.31 H new ATOM 330 N ILE A 20 -15.730 -11.678 26.151 1.00 0.14 N ATOM 331 CA ILE A 20 -15.390 -10.301 26.491 1.00 33.25 C ATOM 332 C ILE A 20 -15.040 -10.171 27.969 1.00 4.43 C ATOM 333 O ILE A 20 -15.540 -10.924 28.805 1.00 31.01 O ATOM 334 CB ILE A 20 -16.545 -9.338 26.161 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.059 -9.590 24.743 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.092 -7.894 26.317 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.268 -8.756 24.381 1.00 42.20 C ATOM 0 H ILE A 20 -16.664 -11.967 26.443 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.522 -10.032 25.890 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.361 -9.520 26.861 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.259 -9.382 24.033 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.311 -10.645 24.639 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -16.920 -7.225 26.080 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -15.770 -7.723 27.344 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -15.262 -7.698 25.639 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -18.577 -8.987 23.362 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.084 -8.981 25.068 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.015 -7.698 24.452 1.00 42.20 H new ATOM 349 N GLY A 21 -14.179 -9.209 28.286 1.00 4.13 N ATOM 350 CA GLY A 21 -13.779 -8.996 29.665 1.00 62.52 C ATOM 351 C GLY A 21 -13.055 -10.193 30.250 1.00 10.52 C ATOM 352 O GLY A 21 -13.377 -10.645 31.348 1.00 13.11 O ATOM 0 H GLY A 21 -13.751 -8.573 27.613 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.132 -8.121 29.721 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.662 -8.779 30.267 1.00 62.52 H new ATOM 356 N ALA A 22 -12.077 -10.709 29.514 1.00 14.24 N ATOM 357 CA ALA A 22 -11.307 -11.861 29.966 1.00 24.05 C ATOM 358 C ALA A 22 -10.017 -11.422 30.653 1.00 13.45 C ATOM 359 O ALA A 22 -9.626 -10.258 30.575 1.00 23.13 O ATOM 360 CB ALA A 22 -10.996 -12.781 28.796 1.00 63.11 C ATOM 0 H ALA A 22 -11.799 -10.347 28.602 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.909 -12.407 30.692 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.421 -13.637 29.149 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -11.927 -13.129 28.349 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.417 -12.237 28.050 1.00 63.11 H new ATOM 366 N SER A 23 -9.362 -12.363 31.327 1.00 20.43 N ATOM 367 CA SER A 23 -8.119 -12.072 32.032 1.00 45.41 C ATOM 368 C SER A 23 -6.923 -12.657 31.288 1.00 32.33 C ATOM 369 O SER A 23 -6.708 -13.869 31.289 1.00 40.44 O ATOM 370 CB SER A 23 -8.172 -12.632 33.455 1.00 52.44 C ATOM 371 OG SER A 23 -9.436 -12.395 34.049 1.00 21.24 O ATOM 0 H SER A 23 -9.671 -13.332 31.399 1.00 20.43 H new ATOM 0 HA SER A 23 -8.002 -10.989 32.079 1.00 45.41 H new ATOM 0 HB2 SER A 23 -7.971 -13.703 33.435 1.00 52.44 H new ATOM 0 HB3 SER A 23 -7.390 -12.172 34.060 1.00 52.44 H new ATOM 0 HG SER A 23 -9.445 -12.764 34.957 1.00 21.24 H new ATOM 377 N VAL A 24 -6.147 -11.785 30.651 1.00 70.10 N ATOM 378 CA VAL A 24 -4.972 -12.214 29.902 1.00 11.40 C ATOM 379 C VAL A 24 -3.687 -11.769 30.593 1.00 21.15 C ATOM 380 O VAL A 24 -3.528 -10.598 30.936 1.00 75.44 O ATOM 381 CB VAL A 24 -4.987 -11.657 28.466 1.00 12.12 C ATOM 382 CG1 VAL A 24 -3.963 -12.377 27.602 1.00 65.33 C ATOM 383 CG2 VAL A 24 -6.380 -11.773 27.865 1.00 64.12 C ATOM 0 H VAL A 24 -6.311 -10.778 30.639 1.00 70.10 H new ATOM 0 HA VAL A 24 -5.003 -13.303 29.862 1.00 11.40 H new ATOM 0 HB VAL A 24 -4.718 -10.601 28.502 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -3.989 -11.970 26.591 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -2.968 -12.237 28.024 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -4.197 -13.441 27.570 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -6.373 -11.375 26.850 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -6.680 -12.821 27.842 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -7.086 -11.207 28.472 1.00 64.12 H new ATOM 393 N VAL A 25 -2.774 -12.714 30.796 1.00 54.40 N ATOM 394 CA VAL A 25 -1.502 -12.420 31.446 1.00 74.22 C ATOM 395 C VAL A 25 -0.392 -13.319 30.914 1.00 74.52 C ATOM 396 O VAL A 25 -0.593 -14.517 30.714 1.00 52.34 O ATOM 397 CB VAL A 25 -1.600 -12.592 32.973 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.748 -11.768 33.532 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.762 -14.060 33.334 1.00 31.03 C ATOM 0 H VAL A 25 -2.891 -13.689 30.520 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.263 -11.381 31.219 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.674 -12.231 33.421 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.801 -11.903 34.612 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.584 -10.715 33.306 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.684 -12.095 33.080 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.830 -14.163 34.417 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.671 -14.449 32.875 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.902 -14.621 32.969 1.00 31.03 H new ATOM 409 N GLU A 26 0.780 -12.734 30.686 1.00 60.03 N ATOM 410 CA GLU A 26 1.922 -13.483 30.177 1.00 2.03 C ATOM 411 C GLU A 26 2.652 -14.198 31.310 1.00 74.12 C ATOM 412 O GLU A 26 2.994 -13.591 32.325 1.00 32.34 O ATOM 413 CB GLU A 26 2.886 -12.549 29.442 1.00 54.12 C ATOM 414 CG GLU A 26 3.707 -13.245 28.368 1.00 11.04 C ATOM 415 CD GLU A 26 4.474 -12.268 27.498 1.00 42.11 C ATOM 416 OE1 GLU A 26 4.746 -12.607 26.327 1.00 1.54 O ATOM 417 OE2 GLU A 26 4.801 -11.167 27.987 1.00 73.20 O1- ATOM 0 H GLU A 26 0.963 -11.743 30.846 1.00 60.03 H new ATOM 0 HA GLU A 26 1.551 -14.232 29.478 1.00 2.03 H new ATOM 0 HB2 GLU A 26 2.317 -11.739 28.985 1.00 54.12 H new ATOM 0 HB3 GLU A 26 3.562 -12.094 30.167 1.00 54.12 H new ATOM 0 HG2 GLU A 26 4.408 -13.933 28.840 1.00 11.04 H new ATOM 0 HG3 GLU A 26 3.046 -13.843 27.741 1.00 11.04 H new ATOM 424 N THR A 27 2.889 -15.494 31.129 1.00 32.44 N ATOM 425 CA THR A 27 3.577 -16.293 32.135 1.00 21.42 C ATOM 426 C THR A 27 4.884 -15.635 32.561 1.00 43.23 C ATOM 427 O THR A 27 5.298 -15.742 33.716 1.00 52.43 O ATOM 428 CB THR A 27 3.876 -17.713 31.616 1.00 43.33 C ATOM 429 OG1 THR A 27 4.821 -18.359 32.477 1.00 43.23 O ATOM 430 CG2 THR A 27 4.422 -17.667 30.197 1.00 11.11 C ATOM 0 H THR A 27 2.614 -16.012 30.295 1.00 32.44 H new ATOM 0 HA THR A 27 2.910 -16.360 32.995 1.00 21.42 H new ATOM 0 HB THR A 27 2.944 -18.279 31.610 1.00 43.33 H new ATOM 0 HG1 THR A 27 5.005 -19.261 32.142 1.00 43.23 H new ATOM 0 HG21 THR A 27 4.625 -18.681 29.852 1.00 11.11 H new ATOM 0 HG22 THR A 27 3.688 -17.201 29.540 1.00 11.11 H new ATOM 0 HG23 THR A 27 5.344 -17.086 30.181 1.00 11.11 H new ATOM 438 N THR A 28 5.530 -14.950 31.622 1.00 30.42 N ATOM 439 CA THR A 28 6.791 -14.274 31.900 1.00 4.41 C ATOM 440 C THR A 28 6.554 -12.848 32.386 1.00 13.12 C ATOM 441 O THR A 28 7.409 -12.257 33.044 1.00 64.00 O ATOM 442 CB THR A 28 7.695 -14.237 30.654 1.00 64.03 C ATOM 443 OG1 THR A 28 6.990 -13.651 29.555 1.00 63.55 O ATOM 444 CG2 THR A 28 8.158 -15.637 30.279 1.00 20.21 C ATOM 0 H THR A 28 5.200 -14.849 30.662 1.00 30.42 H new ATOM 0 HA THR A 28 7.290 -14.844 32.684 1.00 4.41 H new ATOM 0 HB THR A 28 8.572 -13.632 30.886 1.00 64.03 H new ATOM 0 HG1 THR A 28 7.626 -13.197 28.963 1.00 63.55 H new ATOM 0 HG21 THR A 28 8.795 -15.585 29.396 1.00 20.21 H new ATOM 0 HG22 THR A 28 8.720 -16.068 31.107 1.00 20.21 H new ATOM 0 HG23 THR A 28 7.291 -16.262 30.065 1.00 20.21 H new ATOM 452 N ALA A 29 5.388 -12.302 32.057 1.00 21.15 N ATOM 453 CA ALA A 29 5.038 -10.946 32.463 1.00 63.21 C ATOM 454 C ALA A 29 3.535 -10.808 32.679 1.00 61.33 C ATOM 455 O ALA A 29 2.774 -10.637 31.726 1.00 2.51 O ATOM 456 CB ALA A 29 5.518 -9.944 31.423 1.00 62.41 C ATOM 0 H ALA A 29 4.670 -12.778 31.511 1.00 21.15 H new ATOM 0 HA ALA A 29 5.535 -10.737 33.410 1.00 63.21 H new ATOM 0 HB1 ALA A 29 5.250 -8.936 31.739 1.00 62.41 H new ATOM 0 HB2 ALA A 29 6.601 -10.017 31.320 1.00 62.41 H new ATOM 0 HB3 ALA A 29 5.047 -10.161 30.464 1.00 62.41 H new ATOM 462 N THR A 30 3.113 -10.886 33.937 1.00 64.05 N ATOM 463 CA THR A 30 1.701 -10.771 34.278 1.00 52.03 C ATOM 464 C THR A 30 1.296 -9.313 34.464 1.00 44.32 C ATOM 465 O THR A 30 0.165 -8.928 34.167 1.00 33.44 O ATOM 466 CB THR A 30 1.368 -11.554 35.563 1.00 73.01 C ATOM 467 OG1 THR A 30 2.055 -10.977 36.679 1.00 1.52 O ATOM 468 CG2 THR A 30 1.758 -13.017 35.422 1.00 41.22 C ATOM 0 H THR A 30 3.730 -11.028 34.737 1.00 64.05 H new ATOM 0 HA THR A 30 1.139 -11.197 33.446 1.00 52.03 H new ATOM 0 HB THR A 30 0.292 -11.496 35.729 1.00 73.01 H new ATOM 0 HG1 THR A 30 1.837 -11.479 37.492 1.00 1.52 H new ATOM 0 HG21 THR A 30 1.513 -13.549 36.341 1.00 41.22 H new ATOM 0 HG22 THR A 30 1.212 -13.461 34.590 1.00 41.22 H new ATOM 0 HG23 THR A 30 2.829 -13.092 35.234 1.00 41.22 H new ATOM 476 N THR A 31 2.228 -8.504 34.960 1.00 20.21 N ATOM 477 CA THR A 31 1.968 -7.088 35.187 1.00 74.23 C ATOM 478 C THR A 31 1.424 -6.421 33.930 1.00 5.21 C ATOM 479 O THR A 31 0.661 -5.459 34.007 1.00 44.33 O ATOM 480 CB THR A 31 3.243 -6.348 35.637 1.00 70.21 C ATOM 481 OG1 THR A 31 3.754 -6.938 36.837 1.00 65.04 O ATOM 482 CG2 THR A 31 2.958 -4.873 35.871 1.00 32.33 C ATOM 0 H THR A 31 3.169 -8.806 35.212 1.00 20.21 H new ATOM 0 HA THR A 31 1.222 -7.026 35.979 1.00 74.23 H new ATOM 0 HB THR A 31 3.987 -6.436 34.845 1.00 70.21 H new ATOM 0 HG1 THR A 31 4.565 -6.463 37.115 1.00 65.04 H new ATOM 0 HG21 THR A 31 3.872 -4.372 36.188 1.00 32.33 H new ATOM 0 HG22 THR A 31 2.598 -4.421 34.947 1.00 32.33 H new ATOM 0 HG23 THR A 31 2.199 -4.768 36.646 1.00 32.33 H new ATOM 490 N ASN A 32 1.820 -6.939 32.771 1.00 33.34 N ATOM 491 CA ASN A 32 1.370 -6.391 31.496 1.00 52.15 C ATOM 492 C ASN A 32 0.130 -7.127 30.996 1.00 70.20 C ATOM 493 O ASN A 32 -0.085 -7.255 29.791 1.00 25.25 O ATOM 494 CB ASN A 32 2.487 -6.487 30.455 1.00 21.20 C ATOM 495 CG ASN A 32 2.213 -5.630 29.233 1.00 12.02 C ATOM 496 OD1 ASN A 32 1.865 -4.455 29.351 1.00 74.30 O ATOM 497 ND2 ASN A 32 2.369 -6.217 28.053 1.00 53.21 N ATOM 0 H ASN A 32 2.451 -7.736 32.689 1.00 33.34 H new ATOM 0 HA ASN A 32 1.113 -5.343 31.649 1.00 52.15 H new ATOM 0 HB2 ASN A 32 3.429 -6.179 30.908 1.00 21.20 H new ATOM 0 HB3 ASN A 32 2.606 -7.526 30.148 1.00 21.20 H new ATOM 0 HD21 ASN A 32 2.199 -5.691 27.196 1.00 53.21 H new ATOM 0 HD22 ASN A 32 2.659 -7.194 28.004 1.00 53.21 H new ATOM 504 N GLY A 33 -0.683 -7.606 31.931 1.00 61.22 N ATOM 505 CA GLY A 33 -1.893 -8.322 31.566 1.00 53.12 C ATOM 506 C GLY A 33 -2.907 -7.432 30.877 1.00 52.44 C ATOM 507 O GLY A 33 -2.961 -6.228 31.128 1.00 13.13 O ATOM 0 H GLY A 33 -0.527 -7.512 32.935 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.636 -9.152 30.908 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.341 -8.752 32.462 1.00 53.12 H new ATOM 511 N THR A 34 -3.714 -8.024 30.002 1.00 73.43 N ATOM 512 CA THR A 34 -4.731 -7.277 29.271 1.00 24.51 C ATOM 513 C THR A 34 -6.055 -8.030 29.247 1.00 64.20 C ATOM 514 O THR A 34 -6.122 -9.200 29.625 1.00 40.52 O ATOM 515 CB THR A 34 -4.286 -6.994 27.824 1.00 43.53 C ATOM 516 OG1 THR A 34 -5.183 -6.061 27.210 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.248 -8.277 27.009 1.00 1.21 C ATOM 0 H THR A 34 -3.683 -9.020 29.782 1.00 73.43 H new ATOM 0 HA THR A 34 -4.866 -6.330 29.794 1.00 24.51 H new ATOM 0 HB THR A 34 -3.282 -6.570 27.852 1.00 43.53 H new ATOM 0 HG1 THR A 34 -4.893 -5.885 26.291 1.00 72.33 H new ATOM 0 HG21 THR A 34 -3.931 -8.052 25.991 1.00 1.21 H new ATOM 0 HG22 THR A 34 -3.544 -8.975 27.462 1.00 1.21 H new ATOM 0 HG23 THR A 34 -5.241 -8.725 26.989 1.00 1.21 H new ATOM 525 N ILE A 35 -7.107 -7.352 28.800 1.00 53.35 N ATOM 526 CA ILE A 35 -8.431 -7.959 28.725 1.00 41.13 C ATOM 527 C ILE A 35 -8.883 -8.116 27.277 1.00 31.20 C ATOM 528 O ILE A 35 -8.476 -7.351 26.401 1.00 21.21 O ATOM 529 CB ILE A 35 -9.477 -7.126 29.490 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.409 -5.661 29.057 1.00 3.53 C ATOM 531 CG2 ILE A 35 -9.258 -7.251 30.990 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.434 -4.781 29.739 1.00 62.41 C ATOM 0 H ILE A 35 -7.069 -6.383 28.484 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.353 -8.943 29.188 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.470 -7.509 29.254 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -8.412 -5.274 29.268 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -9.552 -5.602 27.978 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -10.004 -6.657 31.517 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -9.351 -8.296 31.285 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -8.261 -6.890 31.244 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.327 -3.756 29.384 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.436 -5.143 29.508 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -10.278 -4.809 30.817 1.00 62.41 H new ATOM 544 N THR A 36 -9.728 -9.111 27.030 1.00 11.05 N ATOM 545 CA THR A 36 -10.236 -9.368 25.688 1.00 11.35 C ATOM 546 C THR A 36 -11.199 -8.272 25.246 1.00 20.04 C ATOM 547 O THR A 36 -11.874 -7.656 26.072 1.00 42.14 O ATOM 548 CB THR A 36 -10.954 -10.729 25.611 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.808 -10.898 26.748 1.00 5.11 O ATOM 550 CG2 THR A 36 -9.949 -11.869 25.552 1.00 55.34 C ATOM 0 H THR A 36 -10.076 -9.753 27.742 1.00 11.05 H new ATOM 0 HA THR A 36 -9.375 -9.382 25.020 1.00 11.35 H new ATOM 0 HB THR A 36 -11.554 -10.747 24.701 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.641 -11.334 26.470 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.480 -12.820 25.498 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.320 -11.754 24.669 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.326 -11.851 26.446 1.00 55.34 H new ATOM 558 N ASP A 37 -11.259 -8.035 23.940 1.00 12.13 N ATOM 559 CA ASP A 37 -12.141 -7.014 23.389 1.00 12.53 C ATOM 560 C ASP A 37 -13.567 -7.542 23.257 1.00 15.53 C ATOM 561 O ASP A 37 -13.858 -8.675 23.638 1.00 0.31 O ATOM 562 CB ASP A 37 -11.628 -6.549 22.024 1.00 5.44 C ATOM 563 CG ASP A 37 -10.474 -5.573 22.142 1.00 34.54 C ATOM 564 OD1 ASP A 37 -10.048 -5.029 21.102 1.00 11.40 O ATOM 565 OD2 ASP A 37 -9.998 -5.352 23.276 1.00 5.53 O1- ATOM 0 H ASP A 37 -10.707 -8.536 23.244 1.00 12.13 H new ATOM 0 HA ASP A 37 -12.148 -6.166 24.074 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -11.310 -7.415 21.444 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -12.443 -6.079 21.474 1.00 5.44 H new ATOM 570 N PHE A 38 -14.452 -6.712 22.714 1.00 33.31 N ATOM 571 CA PHE A 38 -15.847 -7.093 22.534 1.00 53.25 C ATOM 572 C PHE A 38 -15.964 -8.316 21.629 1.00 61.41 C ATOM 573 O PHE A 38 -16.885 -9.121 21.772 1.00 72.12 O ATOM 574 CB PHE A 38 -16.644 -5.929 21.941 1.00 35.41 C ATOM 575 CG PHE A 38 -17.215 -5.004 22.977 1.00 23.40 C ATOM 576 CD1 PHE A 38 -18.543 -5.107 23.359 1.00 64.43 C ATOM 577 CD2 PHE A 38 -16.425 -4.033 23.571 1.00 13.51 C ATOM 578 CE1 PHE A 38 -19.073 -4.257 24.312 1.00 20.23 C ATOM 579 CE2 PHE A 38 -16.949 -3.182 24.525 1.00 23.43 C ATOM 580 CZ PHE A 38 -18.275 -3.293 24.896 1.00 34.05 C ATOM 0 H PHE A 38 -14.227 -5.771 22.391 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.257 -7.345 23.512 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -15.997 -5.359 21.274 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -17.457 -6.328 21.334 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -19.171 -5.860 22.907 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -15.388 -3.940 23.285 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -20.110 -4.347 24.599 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -16.322 -2.430 24.981 1.00 23.43 H new ATOM 0 HZ PHE A 38 -18.686 -2.628 25.641 1.00 34.05 H new ATOM 590 N ASP A 39 -15.025 -8.450 20.700 1.00 22.51 N ATOM 591 CA ASP A 39 -15.020 -9.574 19.772 1.00 30.24 C ATOM 592 C ASP A 39 -14.075 -10.672 20.253 1.00 3.40 C ATOM 593 O ASP A 39 -13.637 -11.514 19.471 1.00 20.40 O ATOM 594 CB ASP A 39 -14.612 -9.109 18.375 1.00 73.22 C ATOM 595 CG ASP A 39 -15.807 -8.787 17.499 1.00 23.23 C ATOM 596 OD1 ASP A 39 -16.778 -9.573 17.508 1.00 51.04 O ATOM 597 OD2 ASP A 39 -15.773 -7.749 16.807 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.256 -7.793 20.569 1.00 22.51 H new ATOM 0 HA ASP A 39 -16.030 -9.982 19.729 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -13.979 -8.226 18.460 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -14.014 -9.885 17.897 1.00 73.22 H new ATOM 602 N GLY A 40 -13.764 -10.653 21.545 1.00 73.03 N ATOM 603 CA GLY A 40 -12.872 -11.651 22.108 1.00 73.43 C ATOM 604 C GLY A 40 -11.476 -11.580 21.518 1.00 75.31 C ATOM 605 O GLY A 40 -10.768 -12.583 21.459 1.00 64.34 O ATOM 0 H GLY A 40 -14.113 -9.965 22.212 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -12.814 -11.514 23.188 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -13.287 -12.644 21.934 1.00 73.43 H new ATOM 609 N ASN A 41 -11.082 -10.389 21.077 1.00 12.43 N ATOM 610 CA ASN A 41 -9.764 -10.191 20.487 1.00 23.51 C ATOM 611 C ASN A 41 -8.862 -9.394 21.424 1.00 23.24 C ATOM 612 O ASN A 41 -9.301 -8.435 22.060 1.00 21.02 O ATOM 613 CB ASN A 41 -9.888 -9.468 19.144 1.00 52.24 C ATOM 614 CG ASN A 41 -10.137 -7.982 19.307 1.00 71.23 C ATOM 615 OD1 ASN A 41 -9.241 -7.229 19.690 1.00 52.35 O ATOM 616 ND2 ASN A 41 -11.360 -7.552 19.018 1.00 22.41 N ATOM 0 H ASN A 41 -11.657 -9.547 21.117 1.00 12.43 H new ATOM 0 HA ASN A 41 -9.315 -11.171 20.326 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -8.975 -9.619 18.568 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -10.704 -9.909 18.571 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -11.588 -6.562 19.110 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -12.072 -8.212 18.704 1.00 22.41 H new ATOM 623 N PHE A 42 -7.598 -9.798 21.505 1.00 71.21 N ATOM 624 CA PHE A 42 -6.633 -9.123 22.364 1.00 52.03 C ATOM 625 C PHE A 42 -5.325 -8.869 21.620 1.00 31.22 C ATOM 626 O PHE A 42 -5.101 -9.404 20.534 1.00 60.33 O ATOM 627 CB PHE A 42 -6.366 -9.955 23.620 1.00 2.54 C ATOM 628 CG PHE A 42 -6.144 -11.413 23.336 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.861 -11.914 23.178 1.00 24.02 C ATOM 630 CD2 PHE A 42 -7.217 -12.282 23.226 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.653 -13.255 22.918 1.00 64.14 C ATOM 632 CE2 PHE A 42 -7.015 -13.625 22.966 1.00 3.45 C ATOM 633 CZ PHE A 42 -5.731 -14.112 22.810 1.00 22.53 C ATOM 0 H PHE A 42 -7.219 -10.590 20.986 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.056 -8.162 22.657 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -5.491 -9.555 24.132 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.210 -9.850 24.302 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -4.014 -11.248 23.259 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -8.223 -11.906 23.345 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -3.648 -13.633 22.799 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -7.860 -14.293 22.885 1.00 3.45 H new ATOM 0 HZ PHE A 42 -5.571 -15.160 22.604 1.00 22.53 H new ATOM 643 N THR A 43 -4.463 -8.049 22.214 1.00 70.14 N ATOM 644 CA THR A 43 -3.178 -7.723 21.608 1.00 1.25 C ATOM 645 C THR A 43 -2.099 -7.550 22.670 1.00 72.34 C ATOM 646 O THR A 43 -2.184 -6.661 23.518 1.00 32.41 O ATOM 647 CB THR A 43 -3.265 -6.435 20.765 1.00 55.40 C ATOM 648 OG1 THR A 43 -3.872 -5.389 21.532 1.00 61.44 O ATOM 649 CG2 THR A 43 -4.068 -6.672 19.496 1.00 0.43 C ATOM 0 H THR A 43 -4.632 -7.599 23.114 1.00 70.14 H new ATOM 0 HA THR A 43 -2.914 -8.557 20.957 1.00 1.25 H new ATOM 0 HB THR A 43 -2.254 -6.140 20.485 1.00 55.40 H new ATOM 0 HG1 THR A 43 -3.519 -5.407 22.446 1.00 61.44 H new ATOM 0 HG21 THR A 43 -4.116 -5.749 18.918 1.00 0.43 H new ATOM 0 HG22 THR A 43 -3.587 -7.449 18.901 1.00 0.43 H new ATOM 0 HG23 THR A 43 -5.078 -6.988 19.758 1.00 0.43 H new ATOM 657 N LEU A 44 -1.082 -8.404 22.616 1.00 30.33 N ATOM 658 CA LEU A 44 0.017 -8.344 23.574 1.00 30.51 C ATOM 659 C LEU A 44 1.361 -8.268 22.856 1.00 15.23 C ATOM 660 O LEU A 44 1.808 -9.241 22.248 1.00 43.42 O ATOM 661 CB LEU A 44 -0.015 -9.568 24.492 1.00 2.24 C ATOM 662 CG LEU A 44 -1.122 -9.587 25.546 1.00 41.34 C ATOM 663 CD1 LEU A 44 -2.466 -9.897 24.904 1.00 14.32 C ATOM 664 CD2 LEU A 44 -0.804 -10.599 26.637 1.00 72.23 C ATOM 0 H LEU A 44 -0.996 -9.145 21.920 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.105 -7.443 24.175 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -0.115 -10.459 23.873 1.00 2.24 H new ATOM 0 HB3 LEU A 44 0.946 -9.640 25.002 1.00 2.24 H new ATOM 0 HG LEU A 44 -1.179 -8.598 26.001 1.00 41.34 H new ATOM 0 HD11 LEU A 44 -3.242 -9.906 25.670 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -2.699 -9.134 24.161 1.00 14.32 H new ATOM 0 HD13 LEU A 44 -2.422 -10.873 24.421 1.00 14.32 H new ATOM 0 HD21 LEU A 44 -1.603 -10.598 27.378 1.00 72.23 H new ATOM 0 HD22 LEU A 44 -0.718 -11.593 26.198 1.00 72.23 H new ATOM 0 HD23 LEU A 44 0.137 -10.332 27.118 1.00 72.23 H new ATOM 676 N SER A 45 2.003 -7.107 22.934 1.00 73.42 N ATOM 677 CA SER A 45 3.296 -6.903 22.291 1.00 30.11 C ATOM 678 C SER A 45 4.431 -7.034 23.301 1.00 54.45 C ATOM 679 O SER A 45 4.519 -6.265 24.257 1.00 53.14 O ATOM 680 CB SER A 45 3.346 -5.527 21.625 1.00 12.24 C ATOM 681 OG SER A 45 2.115 -5.220 20.994 1.00 52.35 O ATOM 0 H SER A 45 1.649 -6.293 23.436 1.00 73.42 H new ATOM 0 HA SER A 45 3.421 -7.672 21.529 1.00 30.11 H new ATOM 0 HB2 SER A 45 3.575 -4.766 22.372 1.00 12.24 H new ATOM 0 HB3 SER A 45 4.150 -5.505 20.890 1.00 12.24 H new ATOM 0 HG SER A 45 2.173 -4.335 20.578 1.00 52.35 H new ATOM 687 N VAL A 46 5.300 -8.016 23.080 1.00 11.02 N ATOM 688 CA VAL A 46 6.432 -8.249 23.969 1.00 13.10 C ATOM 689 C VAL A 46 7.695 -8.568 23.178 1.00 41.33 C ATOM 690 O VAL A 46 7.645 -9.034 22.040 1.00 34.03 O ATOM 691 CB VAL A 46 6.148 -9.403 24.949 1.00 71.43 C ATOM 692 CG1 VAL A 46 5.228 -8.939 26.068 1.00 64.43 C ATOM 693 CG2 VAL A 46 5.549 -10.591 24.213 1.00 21.52 C ATOM 0 H VAL A 46 5.241 -8.662 22.293 1.00 11.02 H new ATOM 0 HA VAL A 46 6.584 -7.330 24.536 1.00 13.10 H new ATOM 0 HB VAL A 46 7.091 -9.719 25.394 1.00 71.43 H new ATOM 0 HG11 VAL A 46 5.039 -9.768 26.750 1.00 64.43 H new ATOM 0 HG12 VAL A 46 5.701 -8.121 26.612 1.00 64.43 H new ATOM 0 HG13 VAL A 46 4.284 -8.595 25.644 1.00 64.43 H new ATOM 0 HG21 VAL A 46 5.355 -11.397 24.921 1.00 21.52 H new ATOM 0 HG22 VAL A 46 4.615 -10.292 23.739 1.00 21.52 H new ATOM 0 HG23 VAL A 46 6.248 -10.937 23.452 1.00 21.52 H new ATOM 703 N PRO A 47 8.860 -8.312 23.795 1.00 12.13 N ATOM 704 CA PRO A 47 10.160 -8.567 23.167 1.00 2.21 C ATOM 705 C PRO A 47 10.451 -10.056 23.019 1.00 41.24 C ATOM 706 O PRO A 47 10.849 -10.519 21.950 1.00 33.23 O ATOM 707 CB PRO A 47 11.154 -7.921 24.135 1.00 32.44 C ATOM 708 CG PRO A 47 10.459 -7.930 25.452 1.00 60.01 C ATOM 709 CD PRO A 47 8.996 -7.757 25.151 1.00 52.01 C ATOM 0 HA PRO A 47 10.209 -8.167 22.154 1.00 2.21 H new ATOM 0 HB2 PRO A 47 12.088 -8.482 24.176 1.00 32.44 H new ATOM 0 HB3 PRO A 47 11.405 -6.906 23.826 1.00 32.44 H new ATOM 0 HG2 PRO A 47 10.640 -8.865 25.982 1.00 60.01 H new ATOM 0 HG3 PRO A 47 10.824 -7.126 26.091 1.00 60.01 H new ATOM 0 HD2 PRO A 47 8.372 -8.291 25.868 1.00 52.01 H new ATOM 0 HD3 PRO A 47 8.699 -6.709 25.188 1.00 52.01 H new ATOM 717 N VAL A 48 10.252 -10.803 24.100 1.00 62.33 N ATOM 718 CA VAL A 48 10.492 -12.242 24.090 1.00 40.41 C ATOM 719 C VAL A 48 9.265 -13.000 23.595 1.00 23.10 C ATOM 720 O VAL A 48 8.133 -12.550 23.766 1.00 71.24 O ATOM 721 CB VAL A 48 10.869 -12.757 25.491 1.00 11.01 C ATOM 722 CG1 VAL A 48 11.317 -14.209 25.424 1.00 61.40 C ATOM 723 CG2 VAL A 48 11.954 -11.884 26.105 1.00 30.33 C ATOM 0 H VAL A 48 9.925 -10.436 24.994 1.00 62.33 H new ATOM 0 HA VAL A 48 11.325 -12.420 23.409 1.00 40.41 H new ATOM 0 HB VAL A 48 9.986 -12.703 26.128 1.00 11.01 H new ATOM 0 HG11 VAL A 48 11.579 -14.555 26.424 1.00 61.40 H new ATOM 0 HG12 VAL A 48 10.507 -14.822 25.029 1.00 61.40 H new ATOM 0 HG13 VAL A 48 12.186 -14.292 24.772 1.00 61.40 H new ATOM 0 HG21 VAL A 48 12.208 -12.262 27.095 1.00 30.33 H new ATOM 0 HG22 VAL A 48 12.840 -11.904 25.470 1.00 30.33 H new ATOM 0 HG23 VAL A 48 11.592 -10.859 26.190 1.00 30.33 H new ATOM 733 N ASN A 49 9.500 -14.155 22.980 1.00 53.04 N ATOM 734 CA ASN A 49 8.414 -14.978 22.459 1.00 3.42 C ATOM 735 C ASN A 49 7.948 -15.988 23.502 1.00 15.14 C ATOM 736 O ASN A 49 7.763 -17.167 23.202 1.00 41.55 O ATOM 737 CB ASN A 49 8.862 -15.706 21.191 1.00 63.41 C ATOM 738 CG ASN A 49 10.006 -16.668 21.450 1.00 20.23 C ATOM 739 OD1 ASN A 49 10.582 -16.684 22.538 1.00 0.21 O ATOM 740 ND2 ASN A 49 10.338 -17.475 20.449 1.00 2.13 N ATOM 0 H ASN A 49 10.432 -14.542 22.830 1.00 53.04 H new ATOM 0 HA ASN A 49 7.578 -14.322 22.217 1.00 3.42 H new ATOM 0 HB2 ASN A 49 8.018 -16.254 20.772 1.00 63.41 H new ATOM 0 HB3 ASN A 49 9.169 -14.974 20.444 1.00 63.41 H new ATOM 0 HD21 ASN A 49 11.099 -18.144 20.564 1.00 2.13 H new ATOM 0 HD22 ASN A 49 9.832 -17.426 19.565 1.00 2.13 H new ATOM 747 N SER A 50 7.759 -15.517 24.732 1.00 44.25 N ATOM 748 CA SER A 50 7.318 -16.380 25.822 1.00 32.14 C ATOM 749 C SER A 50 5.898 -16.880 25.577 1.00 64.13 C ATOM 750 O SER A 50 5.344 -16.708 24.490 1.00 43.22 O ATOM 751 CB SER A 50 7.385 -15.630 27.153 1.00 24.20 C ATOM 752 OG SER A 50 6.413 -14.600 27.207 1.00 2.44 O ATOM 0 H SER A 50 7.904 -14.543 24.998 1.00 44.25 H new ATOM 0 HA SER A 50 7.985 -17.241 25.865 1.00 32.14 H new ATOM 0 HB2 SER A 50 7.227 -16.327 27.976 1.00 24.20 H new ATOM 0 HB3 SER A 50 8.379 -15.203 27.284 1.00 24.20 H new ATOM 0 HG SER A 50 6.392 -14.217 28.109 1.00 2.44 H new ATOM 758 N THR A 51 5.313 -17.501 26.596 1.00 5.13 N ATOM 759 CA THR A 51 3.958 -18.028 26.494 1.00 65.34 C ATOM 760 C THR A 51 2.937 -17.027 27.022 1.00 50.11 C ATOM 761 O THR A 51 3.280 -16.111 27.770 1.00 60.11 O ATOM 762 CB THR A 51 3.810 -19.352 27.267 1.00 55.53 C ATOM 763 OG1 THR A 51 5.088 -19.983 27.407 1.00 72.33 O ATOM 764 CG2 THR A 51 2.850 -20.292 26.554 1.00 1.44 C ATOM 0 H THR A 51 5.757 -17.651 27.502 1.00 5.13 H new ATOM 0 HA THR A 51 3.769 -18.211 25.436 1.00 65.34 H new ATOM 0 HB THR A 51 3.406 -19.127 28.254 1.00 55.53 H new ATOM 0 HG1 THR A 51 4.986 -20.823 27.901 1.00 72.33 H new ATOM 0 HG21 THR A 51 2.762 -21.220 27.119 1.00 1.44 H new ATOM 0 HG22 THR A 51 1.870 -19.821 26.476 1.00 1.44 H new ATOM 0 HG23 THR A 51 3.229 -20.510 25.555 1.00 1.44 H new ATOM 772 N LEU A 52 1.681 -17.209 26.630 1.00 33.00 N ATOM 773 CA LEU A 52 0.608 -16.321 27.065 1.00 60.43 C ATOM 774 C LEU A 52 -0.476 -17.098 27.805 1.00 61.44 C ATOM 775 O LEU A 52 -1.122 -17.979 27.236 1.00 62.04 O ATOM 776 CB LEU A 52 0.001 -15.594 25.864 1.00 25.32 C ATOM 777 CG LEU A 52 0.973 -14.778 25.011 1.00 24.22 C ATOM 778 CD1 LEU A 52 0.382 -14.509 23.637 1.00 0.43 C ATOM 779 CD2 LEU A 52 1.323 -13.471 25.707 1.00 44.14 C ATOM 0 H LEU A 52 1.380 -17.963 26.012 1.00 33.00 H new ATOM 0 HA LEU A 52 1.033 -15.586 27.749 1.00 60.43 H new ATOM 0 HB2 LEU A 52 -0.481 -16.333 25.223 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -0.781 -14.927 26.226 1.00 25.32 H new ATOM 0 HG LEU A 52 1.888 -15.356 24.883 1.00 24.22 H new ATOM 0 HD11 LEU A 52 1.088 -13.927 23.045 1.00 0.43 H new ATOM 0 HD12 LEU A 52 0.181 -15.456 23.136 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -0.548 -13.951 23.744 1.00 0.43 H new ATOM 0 HD21 LEU A 52 2.016 -12.902 25.086 1.00 44.14 H new ATOM 0 HD22 LEU A 52 0.415 -12.889 25.865 1.00 44.14 H new ATOM 0 HD23 LEU A 52 1.789 -13.684 26.669 1.00 44.14 H new ATOM 791 N LYS A 53 -0.672 -16.765 29.076 1.00 74.15 N ATOM 792 CA LYS A 53 -1.680 -17.429 29.895 1.00 74.21 C ATOM 793 C LYS A 53 -2.963 -16.605 29.952 1.00 31.10 C ATOM 794 O LYS A 53 -2.978 -15.501 30.498 1.00 13.00 O ATOM 795 CB LYS A 53 -1.147 -17.661 31.310 1.00 14.13 C ATOM 796 CG LYS A 53 -2.161 -18.294 32.247 1.00 13.04 C ATOM 797 CD LYS A 53 -1.524 -18.705 33.564 1.00 71.31 C ATOM 798 CE LYS A 53 -1.983 -17.812 34.707 1.00 44.24 C ATOM 799 NZ LYS A 53 -0.985 -17.770 35.811 1.00 24.22 N1+ ATOM 0 H LYS A 53 -0.146 -16.039 29.562 1.00 74.15 H new ATOM 0 HA LYS A 53 -1.907 -18.392 29.437 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -0.266 -18.300 31.257 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -0.824 -16.708 31.728 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -2.971 -17.590 32.438 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -2.604 -19.167 31.768 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -1.779 -19.741 33.785 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -0.439 -18.656 33.476 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -2.154 -16.802 34.333 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -2.936 -18.175 35.092 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -1.334 -17.151 36.571 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -0.840 -18.730 36.185 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -0.083 -17.399 35.450 1.00 24.22 H new ATOM 813 N ILE A 54 -4.036 -17.149 29.388 1.00 64.31 N ATOM 814 CA ILE A 54 -5.323 -16.465 29.379 1.00 34.23 C ATOM 815 C ILE A 54 -6.362 -17.236 30.186 1.00 24.45 C ATOM 816 O ILE A 54 -6.658 -18.395 29.893 1.00 52.53 O ATOM 817 CB ILE A 54 -5.846 -16.270 27.943 1.00 12.32 C ATOM 818 CG1 ILE A 54 -4.759 -15.653 27.061 1.00 50.32 C ATOM 819 CG2 ILE A 54 -7.092 -15.397 27.947 1.00 55.33 C ATOM 820 CD1 ILE A 54 -3.935 -16.677 26.312 1.00 73.40 C ATOM 0 H ILE A 54 -4.040 -18.061 28.931 1.00 64.31 H new ATOM 0 HA ILE A 54 -5.164 -15.488 29.836 1.00 34.23 H new ATOM 0 HB ILE A 54 -6.111 -17.245 27.533 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -5.225 -14.978 26.343 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -4.097 -15.050 27.683 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -7.449 -15.268 26.925 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -7.868 -15.874 28.546 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -6.852 -14.423 28.373 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -3.184 -16.168 25.707 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -3.440 -17.338 27.024 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -4.586 -17.264 25.664 1.00 73.40 H new ATOM 832 N THR A 55 -6.915 -16.584 31.204 1.00 53.10 N ATOM 833 CA THR A 55 -7.921 -17.208 32.055 1.00 62.11 C ATOM 834 C THR A 55 -9.253 -16.473 31.957 1.00 50.41 C ATOM 835 O THR A 55 -9.291 -15.252 31.810 1.00 11.34 O ATOM 836 CB THR A 55 -7.471 -17.240 33.528 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.408 -15.907 34.049 1.00 12.50 O ATOM 838 CG2 THR A 55 -6.112 -17.907 33.664 1.00 13.32 C ATOM 0 H THR A 55 -6.683 -15.624 31.459 1.00 53.10 H new ATOM 0 HA THR A 55 -8.046 -18.231 31.700 1.00 62.11 H new ATOM 0 HB THR A 55 -8.200 -17.818 34.096 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.123 -15.935 34.986 1.00 12.50 H new ATOM 0 HG21 THR A 55 -5.815 -17.918 34.713 1.00 13.32 H new ATOM 0 HG22 THR A 55 -6.170 -18.930 33.293 1.00 13.32 H new ATOM 0 HG23 THR A 55 -5.375 -17.352 33.084 1.00 13.32 H new ATOM 846 N TYR A 56 -10.345 -17.226 32.042 1.00 11.42 N ATOM 847 CA TYR A 56 -11.680 -16.645 31.962 1.00 11.02 C ATOM 848 C TYR A 56 -12.522 -17.046 33.171 1.00 62.40 C ATOM 849 O TYR A 56 -12.274 -18.075 33.799 1.00 41.44 O ATOM 850 CB TYR A 56 -12.376 -17.089 30.673 1.00 44.12 C ATOM 851 CG TYR A 56 -11.533 -16.894 29.434 1.00 65.43 C ATOM 852 CD1 TYR A 56 -10.503 -17.774 29.123 1.00 22.43 C ATOM 853 CD2 TYR A 56 -11.768 -15.830 28.571 1.00 4.15 C ATOM 854 CE1 TYR A 56 -9.730 -17.599 27.992 1.00 32.34 C ATOM 855 CE2 TYR A 56 -11.000 -15.648 27.436 1.00 41.03 C ATOM 856 CZ TYR A 56 -9.983 -16.535 27.151 1.00 31.42 C ATOM 857 OH TYR A 56 -9.217 -16.358 26.023 1.00 41.25 O ATOM 0 H TYR A 56 -10.332 -18.238 32.166 1.00 11.42 H new ATOM 0 HA TYR A 56 -11.577 -15.560 31.957 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -12.644 -18.142 30.758 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -13.306 -16.532 30.561 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -10.304 -18.610 29.778 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -12.564 -15.134 28.791 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -8.932 -18.291 27.767 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -11.195 -14.816 26.776 1.00 41.03 H new ATOM 0 HH TYR A 56 -9.356 -15.454 25.672 1.00 41.25 H new ATOM 867 N ILE A 57 -13.517 -16.226 33.488 1.00 62.21 N ATOM 868 CA ILE A 57 -14.397 -16.495 34.619 1.00 35.22 C ATOM 869 C ILE A 57 -15.632 -17.273 34.182 1.00 41.02 C ATOM 870 O ILE A 57 -16.525 -16.728 33.534 1.00 74.23 O ATOM 871 CB ILE A 57 -14.841 -15.191 35.308 1.00 72.44 C ATOM 872 CG1 ILE A 57 -15.855 -15.492 36.413 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.433 -14.228 34.289 1.00 21.35 C ATOM 874 CD1 ILE A 57 -16.283 -14.269 37.193 1.00 34.03 C ATOM 0 H ILE A 57 -13.735 -15.370 32.978 1.00 62.21 H new ATOM 0 HA ILE A 57 -13.826 -17.095 35.328 1.00 35.22 H new ATOM 0 HB ILE A 57 -13.967 -14.721 35.759 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -16.736 -15.956 35.969 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -15.424 -16.219 37.101 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.742 -13.311 34.791 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.684 -13.993 33.533 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.298 -14.689 33.812 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -17.002 -14.559 37.959 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -15.412 -13.816 37.666 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -16.744 -13.549 36.517 1.00 34.03 H new ATOM 886 N GLY A 58 -15.679 -18.552 34.543 1.00 41.22 N ATOM 887 CA GLY A 58 -16.811 -19.384 34.181 1.00 34.45 C ATOM 888 C GLY A 58 -16.391 -20.660 33.479 1.00 45.03 C ATOM 889 O GLY A 58 -16.875 -21.744 33.804 1.00 23.42 O ATOM 0 H GLY A 58 -14.953 -19.026 35.080 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.375 -19.636 35.079 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.480 -18.819 33.532 1.00 34.45 H new ATOM 893 N TYR A 59 -15.488 -20.532 32.512 1.00 61.23 N ATOM 894 CA TYR A 59 -15.007 -21.684 31.758 1.00 30.13 C ATOM 895 C TYR A 59 -13.542 -21.968 32.077 1.00 1.25 C ATOM 896 O TYR A 59 -12.873 -21.178 32.743 1.00 60.34 O ATOM 897 CB TYR A 59 -15.177 -21.445 30.258 1.00 42.25 C ATOM 898 CG TYR A 59 -16.612 -21.539 29.788 1.00 43.24 C ATOM 899 CD1 TYR A 59 -16.986 -22.460 28.818 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.591 -20.707 30.315 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.295 -22.550 28.386 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.903 -20.789 29.889 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.251 -21.713 28.925 1.00 4.31 C ATOM 904 OH TYR A 59 -20.556 -21.798 28.498 1.00 24.41 O ATOM 0 H TYR A 59 -15.075 -19.642 32.232 1.00 61.23 H new ATOM 0 HA TYR A 59 -15.599 -22.551 32.049 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.786 -20.458 30.009 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.576 -22.173 29.712 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.241 -23.117 28.394 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.322 -19.984 31.071 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.569 -23.271 27.630 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.652 -20.133 30.308 1.00 61.12 H new ATOM 0 HH TYR A 59 -21.101 -21.140 28.978 1.00 24.41 H new ATOM 914 N LYS A 60 -13.048 -23.103 31.595 1.00 52.23 N ATOM 915 CA LYS A 60 -11.663 -23.494 31.823 1.00 72.32 C ATOM 916 C LYS A 60 -10.703 -22.504 31.171 1.00 51.35 C ATOM 917 O LYS A 60 -11.015 -21.874 30.161 1.00 73.04 O ATOM 918 CB LYS A 60 -11.411 -24.902 31.277 1.00 13.13 C ATOM 919 CG LYS A 60 -12.124 -25.994 32.055 1.00 75.30 C ATOM 920 CD LYS A 60 -11.596 -27.371 31.694 1.00 4.44 C ATOM 921 CE LYS A 60 -12.250 -28.457 32.535 1.00 2.10 C ATOM 922 NZ LYS A 60 -11.970 -29.818 31.998 1.00 3.41 N1+ ATOM 0 H LYS A 60 -13.588 -23.769 31.043 1.00 52.23 H new ATOM 0 HA LYS A 60 -11.484 -23.491 32.898 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -11.731 -24.941 30.236 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.339 -25.100 31.288 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -11.996 -25.823 33.124 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -13.194 -25.948 31.851 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -11.780 -27.567 30.638 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -10.516 -27.397 31.840 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -11.888 -28.390 33.561 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -13.327 -28.293 32.566 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -12.433 -30.530 32.598 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -12.338 -29.891 31.028 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -10.943 -29.984 31.992 1.00 3.41 H new ATOM 936 N PRO A 61 -9.506 -22.364 31.760 1.00 20.42 N ATOM 937 CA PRO A 61 -8.476 -21.454 31.251 1.00 52.34 C ATOM 938 C PRO A 61 -7.880 -21.932 29.932 1.00 43.11 C ATOM 939 O PRO A 61 -8.243 -22.994 29.423 1.00 71.32 O ATOM 940 CB PRO A 61 -7.414 -21.469 32.354 1.00 12.55 C ATOM 941 CG PRO A 61 -7.595 -22.780 33.036 1.00 64.21 C ATOM 942 CD PRO A 61 -9.066 -23.083 32.967 1.00 62.33 C ATOM 0 HA PRO A 61 -8.877 -20.463 31.039 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.411 -21.374 31.939 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.552 -20.640 33.048 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.013 -23.559 32.544 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.255 -22.732 34.070 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.252 -24.154 32.887 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -9.590 -22.734 33.856 1.00 62.33 H new ATOM 950 N VAL A 62 -6.962 -21.143 29.381 1.00 41.12 N ATOM 951 CA VAL A 62 -6.315 -21.488 28.121 1.00 22.22 C ATOM 952 C VAL A 62 -4.918 -20.883 28.038 1.00 13.54 C ATOM 953 O VAL A 62 -4.661 -19.805 28.577 1.00 74.11 O ATOM 954 CB VAL A 62 -7.143 -21.005 26.915 1.00 23.31 C ATOM 955 CG1 VAL A 62 -6.933 -19.517 26.683 1.00 24.54 C ATOM 956 CG2 VAL A 62 -6.784 -21.804 25.670 1.00 33.21 C ATOM 0 H VAL A 62 -6.650 -20.261 29.788 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.240 -22.575 28.090 1.00 22.22 H new ATOM 0 HB VAL A 62 -8.199 -21.167 27.132 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -7.526 -19.195 25.827 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -7.244 -18.963 27.569 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -5.878 -19.325 26.486 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -7.378 -21.450 24.827 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -5.725 -21.675 25.448 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -6.992 -22.860 25.843 1.00 33.21 H new ATOM 966 N THR A 63 -4.015 -21.583 27.358 1.00 11.33 N ATOM 967 CA THR A 63 -2.644 -21.117 27.205 1.00 11.40 C ATOM 968 C THR A 63 -2.189 -21.211 25.752 1.00 54.21 C ATOM 969 O THR A 63 -2.353 -22.246 25.106 1.00 35.44 O ATOM 970 CB THR A 63 -1.673 -21.925 28.087 1.00 13.53 C ATOM 971 OG1 THR A 63 -2.014 -23.314 28.044 1.00 22.11 O ATOM 972 CG2 THR A 63 -1.712 -21.431 29.526 1.00 60.11 C ATOM 0 H THR A 63 -4.210 -22.476 26.904 1.00 11.33 H new ATOM 0 HA THR A 63 -2.629 -20.074 27.521 1.00 11.40 H new ATOM 0 HB THR A 63 -0.663 -21.788 27.700 1.00 13.53 H new ATOM 0 HG1 THR A 63 -1.391 -23.821 28.606 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.019 -22.016 30.130 1.00 60.11 H new ATOM 0 HG22 THR A 63 -1.424 -20.380 29.558 1.00 60.11 H new ATOM 0 HG23 THR A 63 -2.721 -21.543 29.922 1.00 60.11 H new ATOM 980 N VAL A 64 -1.618 -20.124 25.243 1.00 54.51 N ATOM 981 CA VAL A 64 -1.139 -20.085 23.867 1.00 53.21 C ATOM 982 C VAL A 64 0.168 -19.307 23.762 1.00 13.32 C ATOM 983 O VAL A 64 0.388 -18.339 24.489 1.00 10.04 O ATOM 984 CB VAL A 64 -2.180 -19.447 22.928 1.00 74.21 C ATOM 985 CG1 VAL A 64 -3.406 -20.339 22.805 1.00 21.00 C ATOM 986 CG2 VAL A 64 -2.565 -18.062 23.424 1.00 14.45 C ATOM 0 H VAL A 64 -1.476 -19.258 25.763 1.00 54.51 H new ATOM 0 HA VAL A 64 -0.970 -21.118 23.562 1.00 53.21 H new ATOM 0 HB VAL A 64 -1.736 -19.343 21.938 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -4.130 -19.872 22.138 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -3.112 -21.308 22.401 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -3.855 -20.478 23.788 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -3.301 -17.625 22.749 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -2.991 -18.139 24.424 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -1.679 -17.427 23.454 1.00 14.45 H new ATOM 996 N LYS A 65 1.034 -19.738 22.851 1.00 23.50 N ATOM 997 CA LYS A 65 2.320 -19.081 22.647 1.00 33.44 C ATOM 998 C LYS A 65 2.142 -17.740 21.944 1.00 51.13 C ATOM 999 O LYS A 65 1.142 -17.514 21.263 1.00 14.12 O ATOM 1000 CB LYS A 65 3.250 -19.980 21.828 1.00 53.40 C ATOM 1001 CG LYS A 65 2.679 -20.376 20.478 1.00 44.43 C ATOM 1002 CD LYS A 65 2.268 -21.838 20.454 1.00 43.14 C ATOM 1003 CE LYS A 65 0.848 -22.010 19.934 1.00 1.42 C ATOM 1004 NZ LYS A 65 0.810 -22.117 18.449 1.00 70.32 N1+ ATOM 0 H LYS A 65 0.869 -20.539 22.242 1.00 23.50 H new ATOM 0 HA LYS A 65 2.767 -18.900 23.625 1.00 33.44 H new ATOM 0 HB2 LYS A 65 4.198 -19.464 21.675 1.00 53.40 H new ATOM 0 HB3 LYS A 65 3.466 -20.882 22.400 1.00 53.40 H new ATOM 0 HG2 LYS A 65 1.816 -19.751 20.249 1.00 44.43 H new ATOM 0 HG3 LYS A 65 3.420 -20.193 19.700 1.00 44.43 H new ATOM 0 HD2 LYS A 65 2.958 -22.401 19.825 1.00 43.14 H new ATOM 0 HD3 LYS A 65 2.342 -22.254 21.459 1.00 43.14 H new ATOM 0 HE2 LYS A 65 0.406 -22.904 20.374 1.00 1.42 H new ATOM 0 HE3 LYS A 65 0.240 -21.164 20.253 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 -0.174 -22.233 18.134 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 1.208 -21.253 18.028 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 1.370 -22.940 18.146 1.00 70.32 H new ATOM 1018 N ALA A 66 3.118 -16.855 22.113 1.00 25.33 N ATOM 1019 CA ALA A 66 3.070 -15.537 21.490 1.00 72.41 C ATOM 1020 C ALA A 66 3.031 -15.648 19.970 1.00 62.14 C ATOM 1021 O ALA A 66 4.063 -15.825 19.324 1.00 13.22 O ATOM 1022 CB ALA A 66 4.264 -14.702 21.929 1.00 71.52 C ATOM 0 H ALA A 66 3.951 -17.026 22.676 1.00 25.33 H new ATOM 0 HA ALA A 66 2.155 -15.043 21.815 1.00 72.41 H new ATOM 0 HB1 ALA A 66 4.215 -13.721 21.456 1.00 71.52 H new ATOM 0 HB2 ALA A 66 4.247 -14.584 23.012 1.00 71.52 H new ATOM 0 HB3 ALA A 66 5.186 -15.202 21.633 1.00 71.52 H new ATOM 1028 N ALA A 67 1.832 -15.546 19.404 1.00 60.43 N ATOM 1029 CA ALA A 67 1.659 -15.635 17.960 1.00 33.34 C ATOM 1030 C ALA A 67 0.799 -14.488 17.439 1.00 63.13 C ATOM 1031 O ALA A 67 0.322 -13.658 18.211 1.00 55.04 O ATOM 1032 CB ALA A 67 1.043 -16.974 17.584 1.00 32.31 C ATOM 0 H ALA A 67 0.967 -15.402 19.924 1.00 60.43 H new ATOM 0 HA ALA A 67 2.642 -15.557 17.495 1.00 33.34 H new ATOM 0 HB1 ALA A 67 0.919 -17.027 16.502 1.00 32.31 H new ATOM 0 HB2 ALA A 67 1.697 -17.781 17.914 1.00 32.31 H new ATOM 0 HB3 ALA A 67 0.070 -17.075 18.066 1.00 32.31 H new ATOM 1038 N ALA A 68 0.606 -14.449 16.125 1.00 60.23 N ATOM 1039 CA ALA A 68 -0.199 -13.406 15.502 1.00 73.13 C ATOM 1040 C ALA A 68 -1.676 -13.782 15.494 1.00 2.42 C ATOM 1041 O ALA A 68 -2.540 -12.948 15.768 1.00 53.41 O ATOM 1042 CB ALA A 68 0.288 -13.140 14.084 1.00 13.31 C ATOM 0 H ALA A 68 0.996 -15.128 15.471 1.00 60.23 H new ATOM 0 HA ALA A 68 -0.087 -12.495 16.090 1.00 73.13 H new ATOM 0 HB1 ALA A 68 -0.322 -12.359 13.630 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.329 -12.818 14.111 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.206 -14.053 13.494 1.00 13.31 H new ATOM 1048 N ILE A 69 -1.960 -15.041 15.178 1.00 72.31 N ATOM 1049 CA ILE A 69 -3.333 -15.527 15.135 1.00 43.13 C ATOM 1050 C ILE A 69 -3.485 -16.817 15.934 1.00 23.51 C ATOM 1051 O ILE A 69 -2.769 -17.791 15.703 1.00 14.30 O ATOM 1052 CB ILE A 69 -3.799 -15.774 13.689 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -3.688 -14.488 12.867 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.227 -16.298 13.673 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -3.699 -14.722 11.373 1.00 23.11 C ATOM 0 H ILE A 69 -1.257 -15.743 14.948 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.956 -14.751 15.580 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.152 -16.527 13.239 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -4.514 -13.827 13.129 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -2.768 -13.971 13.139 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -5.541 -16.467 12.643 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.277 -17.236 14.226 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -5.888 -15.567 14.138 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -3.617 -13.767 10.854 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -2.857 -15.357 11.098 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -4.631 -15.211 11.088 1.00 23.11 H new ATOM 1067 N VAL A 70 -4.425 -16.816 16.875 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.674 -17.988 17.707 1.00 74.42 C ATOM 1069 C VAL A 70 -6.151 -18.104 18.065 1.00 52.51 C ATOM 1070 O VAL A 70 -6.731 -17.192 18.654 1.00 11.54 O ATOM 1071 CB VAL A 70 -3.844 -17.942 19.003 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -4.109 -16.649 19.761 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -4.150 -19.152 19.874 1.00 74.33 C ATOM 0 H VAL A 70 -5.026 -16.018 17.080 1.00 42.53 H new ATOM 0 HA VAL A 70 -4.376 -18.860 17.124 1.00 74.42 H new ATOM 0 HB VAL A 70 -2.787 -17.970 18.739 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -3.514 -16.634 20.674 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -3.836 -15.799 19.136 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -5.167 -16.587 20.016 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -3.555 -19.104 20.786 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -5.209 -19.156 20.132 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -3.905 -20.064 19.329 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.755 -19.232 17.704 1.00 53.23 N ATOM 1084 CA ASN A 71 -8.166 -19.467 17.987 1.00 11.52 C ATOM 1085 C ASN A 71 -8.346 -20.705 18.862 1.00 55.40 C ATOM 1086 O ASN A 71 -7.966 -21.810 18.477 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.949 -19.632 16.683 1.00 53.52 C ATOM 1088 CG ASN A 71 -8.908 -18.383 15.824 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -9.386 -17.272 16.371 1.00 10.31 O flip ATOM 1090 ND2 ASN A 71 -8.453 -18.418 14.680 1.00 50.40 N flip ATOM 0 H ASN A 71 -6.289 -19.997 17.215 1.00 53.23 H new ATOM 0 HA ASN A 71 -8.552 -18.602 18.527 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -8.540 -20.471 16.120 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -9.986 -19.878 16.913 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -8.096 -19.295 14.300 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -8.433 -17.570 14.113 1.00 50.40 H new ATOM 1097 N VAL A 72 -8.929 -20.511 20.040 1.00 51.53 N ATOM 1098 CA VAL A 72 -9.162 -21.610 20.968 1.00 24.20 C ATOM 1099 C VAL A 72 -10.585 -21.576 21.516 1.00 31.43 C ATOM 1100 O VAL A 72 -11.166 -20.505 21.698 1.00 20.30 O ATOM 1101 CB VAL A 72 -8.169 -21.572 22.145 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -8.324 -22.809 23.016 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.743 -21.444 21.633 1.00 24.11 C ATOM 0 H VAL A 72 -9.249 -19.602 20.374 1.00 51.53 H new ATOM 0 HA VAL A 72 -9.014 -22.533 20.407 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.391 -20.698 22.757 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.614 -22.764 23.842 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.339 -22.851 23.412 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -8.130 -23.701 22.420 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -6.054 -21.419 22.477 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -6.507 -22.297 20.997 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.645 -20.524 21.057 1.00 24.11 H new ATOM 1113 N LEU A 73 -11.140 -22.754 21.778 1.00 10.54 N ATOM 1114 CA LEU A 73 -12.496 -22.858 22.307 1.00 72.02 C ATOM 1115 C LEU A 73 -12.477 -23.046 23.821 1.00 3.23 C ATOM 1116 O LEU A 73 -11.700 -23.841 24.349 1.00 44.43 O ATOM 1117 CB LEU A 73 -13.233 -24.026 21.647 1.00 3.23 C ATOM 1118 CG LEU A 73 -13.232 -24.041 20.118 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -13.715 -25.386 19.597 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -14.097 -22.915 19.572 1.00 64.32 C ATOM 0 H LEU A 73 -10.673 -23.649 21.633 1.00 10.54 H new ATOM 0 HA LEU A 73 -13.020 -21.930 22.081 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -12.788 -24.956 22.000 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -14.268 -24.017 21.990 1.00 3.23 H new ATOM 0 HG LEU A 73 -12.209 -23.886 19.774 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -13.708 -25.378 18.507 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -13.055 -26.175 19.959 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -14.729 -25.571 19.952 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -14.084 -22.942 18.482 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -15.121 -23.038 19.926 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -13.707 -21.957 19.916 1.00 64.32 H new ATOM 1132 N LEU A 74 -13.339 -22.309 24.513 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.423 -22.395 25.967 1.00 22.25 C ATOM 1134 C LEU A 74 -14.419 -23.471 26.392 1.00 10.24 C ATOM 1135 O LEU A 74 -15.608 -23.381 26.092 1.00 22.34 O ATOM 1136 CB LEU A 74 -13.834 -21.043 26.554 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.056 -20.583 27.787 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -11.561 -20.592 27.508 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -13.511 -19.197 28.218 1.00 34.41 C ATOM 0 H LEU A 74 -13.989 -21.646 24.091 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.439 -22.666 26.348 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -13.727 -20.285 25.778 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -14.892 -21.088 26.812 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.258 -21.279 28.601 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.023 -20.262 28.397 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.246 -21.602 27.247 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -11.341 -19.918 26.680 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -12.947 -18.886 29.097 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -13.339 -18.489 27.407 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -14.574 -19.222 28.459 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.922 -24.484 27.093 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.769 -25.576 27.560 1.00 73.42 C ATOM 1153 C GLU A 75 -15.256 -25.316 28.983 1.00 44.11 C ATOM 1154 O GLU A 75 -14.474 -24.954 29.861 1.00 4.12 O ATOM 1155 CB GLU A 75 -14.006 -26.902 27.506 1.00 3.14 C ATOM 1156 CG GLU A 75 -13.219 -27.099 26.221 1.00 21.34 C ATOM 1157 CD GLU A 75 -12.873 -28.553 25.966 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -13.169 -29.395 26.839 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -12.308 -28.849 24.892 1.00 2.54 O1- ATOM 0 H GLU A 75 -12.939 -24.572 27.350 1.00 25.11 H new ATOM 0 HA GLU A 75 -15.636 -25.636 26.902 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -13.322 -26.952 28.353 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -14.713 -27.724 27.619 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -13.799 -26.715 25.382 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -12.301 -26.514 26.268 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.555 -25.502 29.200 1.00 14.42 N ATOM 1167 CA GLU A 76 -17.147 -25.286 30.514 1.00 55.40 C ATOM 1168 C GLU A 76 -16.456 -26.143 31.571 1.00 52.44 C ATOM 1169 O GLU A 76 -16.024 -27.261 31.292 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.644 -25.605 30.483 1.00 21.40 C ATOM 1171 CG GLU A 76 -18.975 -26.893 29.749 1.00 75.12 C ATOM 1172 CD GLU A 76 -19.642 -26.646 28.410 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -18.916 -26.502 27.404 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -20.889 -26.596 28.367 1.00 33.35 O1- ATOM 0 H GLU A 76 -17.216 -25.801 28.483 1.00 14.42 H new ATOM 0 HA GLU A 76 -17.011 -24.237 30.776 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -19.014 -25.674 31.506 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.173 -24.779 30.008 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -18.060 -27.465 29.595 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -19.631 -27.503 30.370 1.00 75.12 H new ATOM 1181 N ASP A 77 -16.354 -25.609 32.784 1.00 24.14 N ATOM 1182 CA ASP A 77 -15.715 -26.323 33.882 1.00 14.13 C ATOM 1183 C ASP A 77 -16.737 -26.710 34.946 1.00 2.45 C ATOM 1184 O ASP A 77 -17.098 -25.898 35.801 1.00 35.31 O ATOM 1185 CB ASP A 77 -14.613 -25.465 34.504 1.00 0.41 C ATOM 1186 CG ASP A 77 -13.788 -26.230 35.521 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -14.227 -26.330 36.686 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -12.702 -26.728 35.153 1.00 33.42 O1- ATOM 0 H ASP A 77 -16.706 -24.684 33.031 1.00 24.14 H new ATOM 0 HA ASP A 77 -15.272 -27.234 33.481 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -13.959 -25.092 33.716 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -15.061 -24.595 34.984 1.00 0.41 H new