USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 601 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 16 THR OG1 : rot 77:sc= -2.39! USER MOD Set 1.2: A 19 ASN : amide:sc= -3.35! C(o=-5.7!,f=-14!) USER MOD Single : A 15 THR OG1 : rot 37:sc= 0.00254 USER MOD Single : A 24 ASN : amide:sc= -0.211 K(o=-0.21,f=-2!) USER MOD Single : A 26 ASN : amide:sc= -4.59! C(o=-4.6!,f=-13!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -114:sc= 1.23 (180deg=-1.11!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 141:sc= -2.72 (180deg=-5.56!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -7.84! C(o=-7.8!,f=-8.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.154 K(o=0.15,f=-2.5!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -15:sc= -2.37! USER MOD Single : A 67 SER OG : rot 180:sc= -3.99! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -5:sc= -1.56 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.0592 X(o=-0.059,f=-0.38) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.504 9.559 -2.901 1.00 0.00 N ATOM 191 CA THR A 15 70.404 9.780 -1.430 1.00 0.00 C ATOM 192 C THR A 15 71.716 10.354 -0.891 1.00 0.00 C ATOM 193 O THR A 15 71.829 10.684 0.273 1.00 0.00 O ATOM 194 CB THR A 15 70.140 8.394 -0.837 1.00 0.00 C ATOM 195 OG1 THR A 15 68.786 8.032 -1.072 1.00 0.00 O ATOM 196 CG2 THR A 15 70.411 8.419 0.668 1.00 0.00 C ATOM 0 HA THR A 15 69.618 10.490 -1.172 1.00 0.00 H new ATOM 0 HB THR A 15 70.799 7.665 -1.308 1.00 0.00 H new ATOM 0 HG1 THR A 15 68.508 8.359 -1.953 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.222 7.431 1.088 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.450 8.697 0.846 1.00 0.00 H new ATOM 0 HG23 THR A 15 69.754 9.147 1.144 1.00 0.00 H new ATOM 204 N THR A 16 72.710 10.475 -1.727 1.00 0.00 N ATOM 205 CA THR A 16 74.014 11.028 -1.257 1.00 0.00 C ATOM 206 C THR A 16 74.939 11.293 -2.447 1.00 0.00 C ATOM 207 O THR A 16 74.695 10.828 -3.542 1.00 0.00 O ATOM 208 CB THR A 16 74.607 9.948 -0.350 1.00 0.00 C ATOM 209 OG1 THR A 16 73.819 8.768 -0.437 1.00 0.00 O ATOM 210 CG2 THR A 16 74.621 10.447 1.095 1.00 0.00 C ATOM 0 H THR A 16 72.677 10.216 -2.713 1.00 0.00 H new ATOM 0 HA THR A 16 73.890 11.976 -0.733 1.00 0.00 H new ATOM 0 HB THR A 16 75.626 9.727 -0.668 1.00 0.00 H new ATOM 0 HG1 THR A 16 74.020 8.302 -1.275 1.00 0.00 H new ATOM 0 HG21 THR A 16 75.043 9.678 1.741 1.00 0.00 H new ATOM 0 HG22 THR A 16 75.227 11.350 1.162 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.602 10.669 1.413 1.00 0.00 H new ATOM 218 N PRO A 17 75.974 12.044 -2.185 1.00 0.00 N ATOM 219 CA PRO A 17 76.953 12.393 -3.240 1.00 0.00 C ATOM 220 C PRO A 17 77.891 11.216 -3.532 1.00 0.00 C ATOM 221 O PRO A 17 78.317 11.018 -4.652 1.00 0.00 O ATOM 222 CB PRO A 17 77.727 13.560 -2.635 1.00 0.00 C ATOM 223 CG PRO A 17 77.596 13.393 -1.153 1.00 0.00 C ATOM 224 CD PRO A 17 76.316 12.641 -0.891 1.00 0.00 C ATOM 0 HA PRO A 17 76.479 12.640 -4.190 1.00 0.00 H new ATOM 0 HB2 PRO A 17 78.773 13.540 -2.942 1.00 0.00 H new ATOM 0 HB3 PRO A 17 77.317 14.516 -2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.450 12.847 -0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 17 77.578 14.364 -0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.453 11.878 -0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 17 75.528 13.307 -0.540 1.00 0.00 H new ATOM 232 N PHE A 18 78.223 10.437 -2.537 1.00 0.00 N ATOM 233 CA PHE A 18 79.143 9.286 -2.776 1.00 0.00 C ATOM 234 C PHE A 18 78.391 7.958 -2.660 1.00 0.00 C ATOM 235 O PHE A 18 77.901 7.597 -1.609 1.00 0.00 O ATOM 236 CB PHE A 18 80.209 9.401 -1.686 1.00 0.00 C ATOM 237 CG PHE A 18 81.021 10.651 -1.917 1.00 0.00 C ATOM 238 CD1 PHE A 18 82.048 10.653 -2.869 1.00 0.00 C ATOM 239 CD2 PHE A 18 80.743 11.810 -1.185 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.797 11.815 -3.088 1.00 0.00 C ATOM 241 CE2 PHE A 18 81.491 12.974 -1.404 1.00 0.00 C ATOM 242 CZ PHE A 18 82.518 12.976 -2.356 1.00 0.00 C ATOM 0 H PHE A 18 77.900 10.546 -1.576 1.00 0.00 H new ATOM 0 HA PHE A 18 79.576 9.309 -3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.739 9.435 -0.703 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.857 8.524 -1.700 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.262 9.758 -3.434 1.00 0.00 H new ATOM 0 HD2 PHE A 18 79.951 11.808 -0.451 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.590 11.816 -3.821 1.00 0.00 H new ATOM 0 HE2 PHE A 18 81.276 13.869 -0.839 1.00 0.00 H new ATOM 0 HZ PHE A 18 83.095 13.873 -2.526 1.00 0.00 H new ATOM 252 N ASN A 19 78.302 7.229 -3.737 1.00 0.00 N ATOM 253 CA ASN A 19 77.594 5.922 -3.708 1.00 0.00 C ATOM 254 C ASN A 19 78.326 4.923 -4.605 1.00 0.00 C ATOM 255 O ASN A 19 78.979 5.294 -5.560 1.00 0.00 O ATOM 256 CB ASN A 19 76.202 6.215 -4.264 1.00 0.00 C ATOM 257 CG ASN A 19 75.656 7.501 -3.637 1.00 0.00 C ATOM 258 OD1 ASN A 19 74.911 7.454 -2.680 1.00 0.00 O ATOM 259 ND2 ASN A 19 75.997 8.655 -4.144 1.00 0.00 N ATOM 0 H ASN A 19 78.693 7.486 -4.643 1.00 0.00 H new ATOM 0 HA ASN A 19 77.549 5.491 -2.708 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.247 6.318 -5.348 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.532 5.382 -4.051 1.00 0.00 H new ATOM 0 HD21 ASN A 19 75.637 9.518 -3.736 1.00 0.00 H new ATOM 0 HD22 ASN A 19 76.623 8.694 -4.948 1.00 0.00 H new ATOM 266 N LEU A 20 78.223 3.660 -4.307 1.00 0.00 N ATOM 267 CA LEU A 20 78.917 2.644 -5.148 1.00 0.00 C ATOM 268 C LEU A 20 78.335 1.251 -4.892 1.00 0.00 C ATOM 269 O LEU A 20 77.548 1.051 -3.987 1.00 0.00 O ATOM 270 CB LEU A 20 80.383 2.705 -4.717 1.00 0.00 C ATOM 271 CG LEU A 20 80.548 2.027 -3.355 1.00 0.00 C ATOM 272 CD1 LEU A 20 82.030 1.998 -2.975 1.00 0.00 C ATOM 273 CD2 LEU A 20 79.767 2.812 -2.300 1.00 0.00 C ATOM 0 H LEU A 20 77.691 3.286 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 20 78.798 2.842 -6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 20 81.011 2.211 -5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.713 3.742 -4.660 1.00 0.00 H new ATOM 0 HG LEU A 20 80.167 1.007 -3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 20 82.147 1.515 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 20 82.588 1.441 -3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 20 82.412 3.018 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 20 79.883 2.331 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 20 80.149 3.831 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 20 78.711 2.834 -2.570 1.00 0.00 H new ATOM 285 N PHE A 21 78.716 0.289 -5.687 1.00 0.00 N ATOM 286 CA PHE A 21 78.187 -1.091 -5.496 1.00 0.00 C ATOM 287 C PHE A 21 79.188 -1.939 -4.708 1.00 0.00 C ATOM 288 O PHE A 21 80.328 -1.561 -4.520 1.00 0.00 O ATOM 289 CB PHE A 21 78.010 -1.646 -6.909 1.00 0.00 C ATOM 290 CG PHE A 21 76.948 -2.720 -6.899 1.00 0.00 C ATOM 291 CD1 PHE A 21 75.597 -2.367 -6.794 1.00 0.00 C ATOM 292 CD2 PHE A 21 77.314 -4.067 -6.994 1.00 0.00 C ATOM 293 CE1 PHE A 21 74.613 -3.362 -6.783 1.00 0.00 C ATOM 294 CE2 PHE A 21 76.330 -5.063 -6.984 1.00 0.00 C ATOM 295 CZ PHE A 21 74.979 -4.710 -6.878 1.00 0.00 C ATOM 0 H PHE A 21 79.371 0.399 -6.461 1.00 0.00 H new ATOM 0 HA PHE A 21 77.253 -1.100 -4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 21 77.727 -0.846 -7.593 1.00 0.00 H new ATOM 0 HB3 PHE A 21 78.953 -2.055 -7.271 1.00 0.00 H new ATOM 0 HD1 PHE A 21 75.314 -1.327 -6.722 1.00 0.00 H new ATOM 0 HD2 PHE A 21 78.356 -4.339 -7.075 1.00 0.00 H new ATOM 0 HE1 PHE A 21 73.571 -3.090 -6.701 1.00 0.00 H new ATOM 0 HE2 PHE A 21 76.613 -6.103 -7.058 1.00 0.00 H new ATOM 0 HZ PHE A 21 74.219 -5.478 -6.870 1.00 0.00 H new ATOM 305 N ILE A 22 78.768 -3.087 -4.252 1.00 0.00 N ATOM 306 CA ILE A 22 79.684 -3.971 -3.479 1.00 0.00 C ATOM 307 C ILE A 22 79.416 -5.432 -3.834 1.00 0.00 C ATOM 308 O ILE A 22 78.380 -5.771 -4.370 1.00 0.00 O ATOM 309 CB ILE A 22 79.356 -3.706 -2.008 1.00 0.00 C ATOM 310 CG1 ILE A 22 79.455 -2.205 -1.727 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.348 -4.458 -1.121 1.00 0.00 C ATOM 312 CD1 ILE A 22 79.369 -1.961 -0.219 1.00 0.00 C ATOM 0 H ILE A 22 77.825 -3.452 -4.383 1.00 0.00 H new ATOM 0 HA ILE A 22 80.733 -3.773 -3.698 1.00 0.00 H new ATOM 0 HB ILE A 22 78.344 -4.050 -1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 22 80.394 -1.813 -2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 22 78.652 -1.675 -2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 22 80.115 -4.269 -0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 22 80.278 -5.527 -1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.360 -4.115 -1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 22 79.440 -0.892 -0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 22 78.418 -2.339 0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.188 -2.478 0.281 1.00 0.00 H new ATOM 324 N GLY A 23 80.342 -6.297 -3.544 1.00 0.00 N ATOM 325 CA GLY A 23 80.140 -7.735 -3.868 1.00 0.00 C ATOM 326 C GLY A 23 80.853 -8.600 -2.830 1.00 0.00 C ATOM 327 O GLY A 23 81.505 -8.102 -1.933 1.00 0.00 O ATOM 0 H GLY A 23 81.231 -6.072 -3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 23 79.075 -7.969 -3.882 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.527 -7.951 -4.864 1.00 0.00 H new ATOM 331 N ASN A 24 80.733 -9.895 -2.944 1.00 0.00 N ATOM 332 CA ASN A 24 81.402 -10.806 -1.966 1.00 0.00 C ATOM 333 C ASN A 24 80.695 -10.739 -0.610 1.00 0.00 C ATOM 334 O ASN A 24 81.327 -10.682 0.427 1.00 0.00 O ATOM 335 CB ASN A 24 82.840 -10.294 -1.850 1.00 0.00 C ATOM 336 CG ASN A 24 83.789 -11.476 -1.646 1.00 0.00 C ATOM 337 OD1 ASN A 24 83.527 -12.569 -2.110 1.00 0.00 O ATOM 338 ND2 ASN A 24 84.889 -11.303 -0.965 1.00 0.00 N ATOM 0 H ASN A 24 80.199 -10.365 -3.675 1.00 0.00 H new ATOM 0 HA ASN A 24 81.371 -11.846 -2.290 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.115 -9.745 -2.750 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.923 -9.599 -1.014 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.529 -12.085 -0.822 1.00 0.00 H new ATOM 0 HD22 ASN A 24 85.109 -10.386 -0.576 1.00 0.00 H new ATOM 345 N LEU A 25 79.391 -10.752 -0.608 1.00 0.00 N ATOM 346 CA LEU A 25 78.647 -10.696 0.681 1.00 0.00 C ATOM 347 C LEU A 25 78.342 -12.111 1.168 1.00 0.00 C ATOM 348 O LEU A 25 77.798 -12.925 0.449 1.00 0.00 O ATOM 349 CB LEU A 25 77.353 -9.944 0.368 1.00 0.00 C ATOM 350 CG LEU A 25 77.628 -8.439 0.329 1.00 0.00 C ATOM 351 CD1 LEU A 25 78.024 -7.954 1.723 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.770 -8.154 -0.650 1.00 0.00 C ATOM 0 H LEU A 25 78.808 -10.799 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 25 79.219 -10.202 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 25 76.951 -10.275 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.600 -10.166 1.124 1.00 0.00 H new ATOM 0 HG LEU A 25 76.729 -7.916 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.219 -6.882 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 25 77.213 -8.156 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 25 78.923 -8.478 2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.966 -7.082 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.668 -8.679 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 25 78.490 -8.498 -1.646 1.00 0.00 H new ATOM 364 N ASN A 26 78.694 -12.406 2.386 1.00 0.00 N ATOM 365 CA ASN A 26 78.435 -13.765 2.938 1.00 0.00 C ATOM 366 C ASN A 26 77.053 -14.264 2.505 1.00 0.00 C ATOM 367 O ASN A 26 76.043 -13.804 2.998 1.00 0.00 O ATOM 368 CB ASN A 26 78.490 -13.578 4.452 1.00 0.00 C ATOM 369 CG ASN A 26 78.311 -14.933 5.142 1.00 0.00 C ATOM 370 OD1 ASN A 26 78.063 -15.930 4.493 1.00 0.00 O ATOM 371 ND2 ASN A 26 78.428 -15.011 6.440 1.00 0.00 N ATOM 0 H ASN A 26 79.153 -11.760 3.028 1.00 0.00 H new ATOM 0 HA ASN A 26 79.156 -14.503 2.586 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.443 -13.135 4.740 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.709 -12.889 4.772 1.00 0.00 H new ATOM 0 HD21 ASN A 26 78.311 -15.909 6.910 1.00 0.00 H new ATOM 0 HD22 ASN A 26 78.636 -14.174 6.985 1.00 0.00 H new ATOM 378 N PRO A 27 77.062 -15.195 1.592 1.00 0.00 N ATOM 379 CA PRO A 27 75.796 -15.773 1.078 1.00 0.00 C ATOM 380 C PRO A 27 75.170 -16.700 2.123 1.00 0.00 C ATOM 381 O PRO A 27 73.976 -16.928 2.129 1.00 0.00 O ATOM 382 CB PRO A 27 76.237 -16.559 -0.153 1.00 0.00 C ATOM 383 CG PRO A 27 77.677 -16.886 0.088 1.00 0.00 C ATOM 384 CD PRO A 27 78.241 -15.792 0.957 1.00 0.00 C ATOM 0 HA PRO A 27 75.041 -15.021 0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.643 -17.464 -0.276 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.113 -15.970 -1.062 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.775 -17.855 0.577 1.00 0.00 H new ATOM 0 HG3 PRO A 27 78.221 -16.948 -0.855 1.00 0.00 H new ATOM 0 HD2 PRO A 27 78.934 -16.189 1.698 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.791 -15.058 0.367 1.00 0.00 H new ATOM 392 N ASN A 28 75.967 -17.234 3.010 1.00 0.00 N ATOM 393 CA ASN A 28 75.414 -18.143 4.055 1.00 0.00 C ATOM 394 C ASN A 28 74.706 -17.324 5.136 1.00 0.00 C ATOM 395 O ASN A 28 74.010 -17.855 5.979 1.00 0.00 O ATOM 396 CB ASN A 28 76.631 -18.864 4.637 1.00 0.00 C ATOM 397 CG ASN A 28 76.926 -20.117 3.809 1.00 0.00 C ATOM 398 OD1 ASN A 28 76.511 -21.203 4.161 1.00 0.00 O ATOM 399 ND2 ASN A 28 77.632 -20.011 2.717 1.00 0.00 N ATOM 0 H ASN A 28 76.974 -17.080 3.056 1.00 0.00 H new ATOM 0 HA ASN A 28 74.682 -18.844 3.653 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.496 -18.201 4.633 1.00 0.00 H new ATOM 0 HB3 ASN A 28 76.443 -19.137 5.675 1.00 0.00 H new ATOM 0 HD21 ASN A 28 77.835 -20.840 2.159 1.00 0.00 H new ATOM 0 HD22 ASN A 28 77.980 -19.099 2.421 1.00 0.00 H new ATOM 406 N LYS A 29 74.877 -16.032 5.112 1.00 0.00 N ATOM 407 CA LYS A 29 74.215 -15.167 6.130 1.00 0.00 C ATOM 408 C LYS A 29 73.191 -14.256 5.454 1.00 0.00 C ATOM 409 O LYS A 29 72.685 -14.557 4.390 1.00 0.00 O ATOM 410 CB LYS A 29 75.347 -14.344 6.742 1.00 0.00 C ATOM 411 CG LYS A 29 75.454 -14.655 8.236 1.00 0.00 C ATOM 412 CD LYS A 29 74.212 -14.129 8.959 1.00 0.00 C ATOM 413 CE LYS A 29 74.079 -14.822 10.316 1.00 0.00 C ATOM 414 NZ LYS A 29 75.161 -14.238 11.156 1.00 0.00 N ATOM 0 H LYS A 29 75.449 -15.535 4.429 1.00 0.00 H new ATOM 0 HA LYS A 29 73.679 -15.744 6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.289 -14.574 6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.159 -13.281 6.594 1.00 0.00 H new ATOM 0 HG2 LYS A 29 75.548 -15.730 8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 29 76.351 -14.195 8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.287 -13.050 9.096 1.00 0.00 H new ATOM 0 HD3 LYS A 29 73.322 -14.313 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 29 73.098 -14.643 10.756 1.00 0.00 H new ATOM 0 HE3 LYS A 29 74.193 -15.902 10.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 75.859 -14.974 11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 75.627 -13.468 10.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 74.753 -13.863 12.036 1.00 0.00 H new ATOM 428 N SER A 30 72.884 -13.144 6.058 1.00 0.00 N ATOM 429 CA SER A 30 71.893 -12.215 5.444 1.00 0.00 C ATOM 430 C SER A 30 72.564 -10.895 5.067 1.00 0.00 C ATOM 431 O SER A 30 73.546 -10.492 5.660 1.00 0.00 O ATOM 432 CB SER A 30 70.843 -11.977 6.524 1.00 0.00 C ATOM 433 OG SER A 30 70.462 -13.222 7.094 1.00 0.00 O ATOM 0 H SER A 30 73.275 -12.837 6.949 1.00 0.00 H new ATOM 0 HA SER A 30 71.460 -12.629 4.533 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.242 -11.318 7.295 1.00 0.00 H new ATOM 0 HB3 SER A 30 69.973 -11.478 6.097 1.00 0.00 H new ATOM 0 HG SER A 30 69.788 -13.071 7.790 1.00 0.00 H new ATOM 439 N VAL A 31 72.037 -10.212 4.091 1.00 0.00 N ATOM 440 CA VAL A 31 72.644 -8.916 3.690 1.00 0.00 C ATOM 441 C VAL A 31 72.408 -7.881 4.792 1.00 0.00 C ATOM 442 O VAL A 31 73.113 -6.897 4.896 1.00 0.00 O ATOM 443 CB VAL A 31 71.937 -8.508 2.397 1.00 0.00 C ATOM 444 CG1 VAL A 31 72.782 -7.467 1.662 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.758 -9.736 1.498 1.00 0.00 C ATOM 0 H VAL A 31 71.216 -10.494 3.556 1.00 0.00 H new ATOM 0 HA VAL A 31 73.721 -8.991 3.538 1.00 0.00 H new ATOM 0 HB VAL A 31 70.961 -8.087 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 31 72.279 -7.175 0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 31 72.913 -6.591 2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 31 73.757 -7.892 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 31 71.254 -9.442 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.734 -10.157 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 31 71.158 -10.483 2.018 1.00 0.00 H new ATOM 455 N ALA A 32 71.430 -8.107 5.627 1.00 0.00 N ATOM 456 CA ALA A 32 71.161 -7.147 6.734 1.00 0.00 C ATOM 457 C ALA A 32 72.332 -7.167 7.716 1.00 0.00 C ATOM 458 O ALA A 32 72.764 -6.144 8.208 1.00 0.00 O ATOM 459 CB ALA A 32 69.885 -7.659 7.405 1.00 0.00 C ATOM 0 H ALA A 32 70.807 -8.914 5.590 1.00 0.00 H new ATOM 0 HA ALA A 32 71.044 -6.121 6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.621 -7.002 8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 32 69.072 -7.672 6.679 1.00 0.00 H new ATOM 0 HB3 ALA A 32 70.052 -8.668 7.781 1.00 0.00 H new ATOM 465 N GLU A 33 72.856 -8.329 7.989 1.00 0.00 N ATOM 466 CA GLU A 33 74.013 -8.427 8.922 1.00 0.00 C ATOM 467 C GLU A 33 75.261 -7.865 8.242 1.00 0.00 C ATOM 468 O GLU A 33 75.999 -7.091 8.818 1.00 0.00 O ATOM 469 CB GLU A 33 74.171 -9.923 9.204 1.00 0.00 C ATOM 470 CG GLU A 33 72.847 -10.487 9.721 1.00 0.00 C ATOM 471 CD GLU A 33 72.777 -10.314 11.239 1.00 0.00 C ATOM 472 OE1 GLU A 33 73.296 -11.168 11.938 1.00 0.00 O ATOM 473 OE2 GLU A 33 72.205 -9.329 11.678 1.00 0.00 O ATOM 0 H GLU A 33 72.532 -9.217 7.605 1.00 0.00 H new ATOM 0 HA GLU A 33 73.865 -7.863 9.843 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.471 -10.445 8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.959 -10.084 9.940 1.00 0.00 H new ATOM 0 HG2 GLU A 33 72.011 -9.973 9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.762 -11.542 9.460 1.00 0.00 H new ATOM 480 N LEU A 34 75.492 -8.230 7.010 1.00 0.00 N ATOM 481 CA LEU A 34 76.672 -7.698 6.290 1.00 0.00 C ATOM 482 C LEU A 34 76.581 -6.176 6.272 1.00 0.00 C ATOM 483 O LEU A 34 77.574 -5.477 6.289 1.00 0.00 O ATOM 484 CB LEU A 34 76.549 -8.268 4.879 1.00 0.00 C ATOM 485 CG LEU A 34 77.095 -9.696 4.852 1.00 0.00 C ATOM 486 CD1 LEU A 34 76.004 -10.651 4.365 1.00 0.00 C ATOM 487 CD2 LEU A 34 78.292 -9.767 3.902 1.00 0.00 C ATOM 0 H LEU A 34 74.911 -8.875 6.475 1.00 0.00 H new ATOM 0 HA LEU A 34 77.624 -7.968 6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 34 75.506 -8.261 4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 34 77.100 -7.644 4.175 1.00 0.00 H new ATOM 0 HG LEU A 34 77.409 -9.983 5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.393 -11.669 4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 34 75.150 -10.602 5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 34 75.690 -10.364 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.681 -10.785 3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 34 77.978 -9.480 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 34 79.071 -9.087 4.247 1.00 0.00 H new ATOM 499 N LYS A 35 75.381 -5.664 6.255 1.00 0.00 N ATOM 500 CA LYS A 35 75.196 -4.190 6.257 1.00 0.00 C ATOM 501 C LYS A 35 75.729 -3.617 7.571 1.00 0.00 C ATOM 502 O LYS A 35 76.667 -2.844 7.593 1.00 0.00 O ATOM 503 CB LYS A 35 73.686 -3.979 6.152 1.00 0.00 C ATOM 504 CG LYS A 35 73.380 -3.057 4.973 1.00 0.00 C ATOM 505 CD LYS A 35 72.012 -3.413 4.388 1.00 0.00 C ATOM 506 CE LYS A 35 72.199 -4.291 3.147 1.00 0.00 C ATOM 507 NZ LYS A 35 70.830 -4.475 2.584 1.00 0.00 N ATOM 0 H LYS A 35 74.518 -6.208 6.240 1.00 0.00 H new ATOM 0 HA LYS A 35 75.727 -3.696 5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.183 -4.937 6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.304 -3.544 7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 35 73.388 -2.017 5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 35 74.151 -3.158 4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 35 71.413 -3.939 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 35 71.470 -2.505 4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 35 72.861 -3.814 2.424 1.00 0.00 H new ATOM 0 HE3 LYS A 35 72.649 -5.249 3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 70.874 -4.440 1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 70.452 -5.397 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 70.208 -3.717 2.930 1.00 0.00 H new ATOM 521 N VAL A 36 75.145 -4.014 8.669 1.00 0.00 N ATOM 522 CA VAL A 36 75.621 -3.521 9.991 1.00 0.00 C ATOM 523 C VAL A 36 77.119 -3.739 10.109 1.00 0.00 C ATOM 524 O VAL A 36 77.824 -2.912 10.630 1.00 0.00 O ATOM 525 CB VAL A 36 74.884 -4.377 11.010 1.00 0.00 C ATOM 526 CG1 VAL A 36 75.220 -3.896 12.423 1.00 0.00 C ATOM 527 CG2 VAL A 36 73.376 -4.268 10.776 1.00 0.00 C ATOM 0 H VAL A 36 74.357 -4.660 8.706 1.00 0.00 H new ATOM 0 HA VAL A 36 75.434 -2.457 10.135 1.00 0.00 H new ATOM 0 HB VAL A 36 75.193 -5.417 10.900 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.691 -4.510 13.152 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.294 -3.979 12.590 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.915 -2.856 12.535 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.849 -4.882 11.507 1.00 0.00 H new ATOM 0 HG22 VAL A 36 73.065 -3.229 10.884 1.00 0.00 H new ATOM 0 HG23 VAL A 36 73.138 -4.616 9.771 1.00 0.00 H new ATOM 537 N ALA A 37 77.618 -4.839 9.626 1.00 0.00 N ATOM 538 CA ALA A 37 79.081 -5.073 9.721 1.00 0.00 C ATOM 539 C ALA A 37 79.809 -3.999 8.922 1.00 0.00 C ATOM 540 O ALA A 37 80.919 -3.626 9.233 1.00 0.00 O ATOM 541 CB ALA A 37 79.315 -6.459 9.119 1.00 0.00 C ATOM 0 H ALA A 37 77.082 -5.580 9.174 1.00 0.00 H new ATOM 0 HA ALA A 37 79.451 -5.027 10.745 1.00 0.00 H new ATOM 0 HB1 ALA A 37 80.378 -6.697 9.157 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.756 -7.202 9.688 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.978 -6.467 8.082 1.00 0.00 H new ATOM 547 N ILE A 38 79.181 -3.482 7.907 1.00 0.00 N ATOM 548 CA ILE A 38 79.827 -2.411 7.104 1.00 0.00 C ATOM 549 C ILE A 38 79.504 -1.057 7.730 1.00 0.00 C ATOM 550 O ILE A 38 80.265 -0.113 7.624 1.00 0.00 O ATOM 551 CB ILE A 38 79.210 -2.524 5.709 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.508 -3.909 5.130 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.808 -1.451 4.798 1.00 0.00 C ATOM 554 CD1 ILE A 38 78.463 -4.253 4.069 1.00 0.00 C ATOM 0 H ILE A 38 78.248 -3.755 7.598 1.00 0.00 H new ATOM 0 HA ILE A 38 80.912 -2.507 7.064 1.00 0.00 H new ATOM 0 HB ILE A 38 78.131 -2.383 5.777 1.00 0.00 H new ATOM 0 HG12 ILE A 38 80.506 -3.925 4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.496 -4.657 5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.368 -1.531 3.804 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.596 -0.464 5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 38 80.887 -1.591 4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 38 78.675 -5.239 3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 38 77.472 -4.254 4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 38 78.497 -3.511 3.271 1.00 0.00 H new ATOM 566 N SER A 39 78.388 -0.957 8.403 1.00 0.00 N ATOM 567 CA SER A 39 78.032 0.337 9.049 1.00 0.00 C ATOM 568 C SER A 39 78.802 0.469 10.361 1.00 0.00 C ATOM 569 O SER A 39 79.094 1.556 10.824 1.00 0.00 O ATOM 570 CB SER A 39 76.529 0.254 9.309 1.00 0.00 C ATOM 571 OG SER A 39 75.828 0.514 8.100 1.00 0.00 O ATOM 0 H SER A 39 77.713 -1.711 8.532 1.00 0.00 H new ATOM 0 HA SER A 39 78.281 1.202 8.433 1.00 0.00 H new ATOM 0 HB2 SER A 39 76.268 -0.734 9.689 1.00 0.00 H new ATOM 0 HB3 SER A 39 76.240 0.976 10.073 1.00 0.00 H new ATOM 0 HG SER A 39 74.863 0.460 8.263 1.00 0.00 H new ATOM 577 N GLU A 40 79.146 -0.638 10.954 1.00 0.00 N ATOM 578 CA GLU A 40 79.906 -0.599 12.225 1.00 0.00 C ATOM 579 C GLU A 40 81.391 -0.447 11.918 1.00 0.00 C ATOM 580 O GLU A 40 82.107 0.274 12.583 1.00 0.00 O ATOM 581 CB GLU A 40 79.616 -1.940 12.886 1.00 0.00 C ATOM 582 CG GLU A 40 78.789 -1.719 14.154 1.00 0.00 C ATOM 583 CD GLU A 40 77.300 -1.799 13.812 1.00 0.00 C ATOM 584 OE1 GLU A 40 76.911 -1.222 12.809 1.00 0.00 O ATOM 585 OE2 GLU A 40 76.575 -2.435 14.558 1.00 0.00 O ATOM 0 H GLU A 40 78.930 -1.573 10.608 1.00 0.00 H new ATOM 0 HA GLU A 40 79.626 0.234 12.870 1.00 0.00 H new ATOM 0 HB2 GLU A 40 79.076 -2.588 12.196 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.550 -2.445 13.132 1.00 0.00 H new ATOM 0 HG2 GLU A 40 79.042 -2.471 14.902 1.00 0.00 H new ATOM 0 HG3 GLU A 40 79.022 -0.747 14.588 1.00 0.00 H new ATOM 592 N LEU A 41 81.851 -1.109 10.896 1.00 0.00 N ATOM 593 CA LEU A 41 83.285 -0.989 10.524 1.00 0.00 C ATOM 594 C LEU A 41 83.554 0.437 10.060 1.00 0.00 C ATOM 595 O LEU A 41 84.609 0.991 10.292 1.00 0.00 O ATOM 596 CB LEU A 41 83.495 -1.979 9.377 1.00 0.00 C ATOM 597 CG LEU A 41 84.910 -2.557 9.451 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.839 -4.032 9.850 1.00 0.00 C ATOM 599 CD2 LEU A 41 85.582 -2.434 8.082 1.00 0.00 C ATOM 0 H LEU A 41 81.297 -1.727 10.303 1.00 0.00 H new ATOM 0 HA LEU A 41 83.957 -1.204 11.355 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.760 -2.782 9.437 1.00 0.00 H new ATOM 0 HB3 LEU A 41 83.345 -1.480 8.420 1.00 0.00 H new ATOM 0 HG LEU A 41 85.488 -2.007 10.193 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.847 -4.444 9.903 1.00 0.00 H new ATOM 0 HD12 LEU A 41 84.359 -4.123 10.824 1.00 0.00 H new ATOM 0 HD13 LEU A 41 84.261 -4.582 9.108 1.00 0.00 H new ATOM 0 HD21 LEU A 41 86.590 -2.845 8.133 1.00 0.00 H new ATOM 0 HD22 LEU A 41 85.002 -2.985 7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 41 85.633 -1.384 7.795 1.00 0.00 H new ATOM 611 N PHE A 42 82.596 1.040 9.417 1.00 0.00 N ATOM 612 CA PHE A 42 82.777 2.430 8.950 1.00 0.00 C ATOM 613 C PHE A 42 82.392 3.390 10.070 1.00 0.00 C ATOM 614 O PHE A 42 82.764 4.540 10.071 1.00 0.00 O ATOM 615 CB PHE A 42 81.813 2.560 7.781 1.00 0.00 C ATOM 616 CG PHE A 42 82.333 1.794 6.582 1.00 0.00 C ATOM 617 CD1 PHE A 42 83.420 0.917 6.716 1.00 0.00 C ATOM 618 CD2 PHE A 42 81.723 1.958 5.332 1.00 0.00 C ATOM 619 CE1 PHE A 42 83.891 0.209 5.606 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.196 1.249 4.222 1.00 0.00 C ATOM 621 CZ PHE A 42 83.280 0.375 4.359 1.00 0.00 C ATOM 0 H PHE A 42 81.692 0.623 9.196 1.00 0.00 H new ATOM 0 HA PHE A 42 83.803 2.659 8.663 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.832 2.180 8.066 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.685 3.611 7.522 1.00 0.00 H new ATOM 0 HD1 PHE A 42 83.894 0.789 7.678 1.00 0.00 H new ATOM 0 HD2 PHE A 42 80.886 2.633 5.225 1.00 0.00 H new ATOM 0 HE1 PHE A 42 84.727 -0.466 5.712 1.00 0.00 H new ATOM 0 HE2 PHE A 42 81.724 1.377 3.259 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.645 -0.171 3.502 1.00 0.00 H new ATOM 631 N ALA A 43 81.647 2.920 11.025 1.00 0.00 N ATOM 632 CA ALA A 43 81.243 3.810 12.149 1.00 0.00 C ATOM 633 C ALA A 43 82.308 3.778 13.244 1.00 0.00 C ATOM 634 O ALA A 43 82.495 4.731 13.974 1.00 0.00 O ATOM 635 CB ALA A 43 79.932 3.227 12.662 1.00 0.00 C ATOM 0 H ALA A 43 81.300 1.962 11.079 1.00 0.00 H new ATOM 0 HA ALA A 43 81.131 4.849 11.839 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.567 3.829 13.495 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.194 3.231 11.860 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.096 2.203 12.999 1.00 0.00 H new ATOM 641 N LYS A 44 83.017 2.689 13.353 1.00 0.00 N ATOM 642 CA LYS A 44 84.082 2.593 14.389 1.00 0.00 C ATOM 643 C LYS A 44 85.402 3.081 13.800 1.00 0.00 C ATOM 644 O LYS A 44 86.316 3.452 14.509 1.00 0.00 O ATOM 645 CB LYS A 44 84.166 1.107 14.744 1.00 0.00 C ATOM 646 CG LYS A 44 83.549 0.876 16.124 1.00 0.00 C ATOM 647 CD LYS A 44 82.444 -0.178 16.021 1.00 0.00 C ATOM 648 CE LYS A 44 82.880 -1.450 16.748 1.00 0.00 C ATOM 649 NZ LYS A 44 83.472 -2.315 15.689 1.00 0.00 N ATOM 0 H LYS A 44 82.904 1.861 12.769 1.00 0.00 H new ATOM 0 HA LYS A 44 83.870 3.200 15.269 1.00 0.00 H new ATOM 0 HB2 LYS A 44 83.641 0.513 13.995 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.206 0.779 14.739 1.00 0.00 H new ATOM 0 HG2 LYS A 44 84.315 0.547 16.826 1.00 0.00 H new ATOM 0 HG3 LYS A 44 83.141 1.809 16.512 1.00 0.00 H new ATOM 0 HD2 LYS A 44 81.521 0.204 16.457 1.00 0.00 H new ATOM 0 HD3 LYS A 44 82.234 -0.399 14.974 1.00 0.00 H new ATOM 0 HE2 LYS A 44 83.607 -1.229 17.529 1.00 0.00 H new ATOM 0 HE3 LYS A 44 82.033 -1.939 17.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 83.795 -3.209 16.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 82.755 -2.515 14.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 84.280 -1.826 15.253 1.00 0.00 H new ATOM 663 N ASN A 45 85.497 3.091 12.501 1.00 0.00 N ATOM 664 CA ASN A 45 86.743 3.563 11.846 1.00 0.00 C ATOM 665 C ASN A 45 86.768 5.088 11.835 1.00 0.00 C ATOM 666 O ASN A 45 87.650 5.702 12.399 1.00 0.00 O ATOM 667 CB ASN A 45 86.651 3.026 10.420 1.00 0.00 C ATOM 668 CG ASN A 45 87.360 1.676 10.337 1.00 0.00 C ATOM 669 OD1 ASN A 45 88.344 1.534 9.639 1.00 0.00 O ATOM 670 ND2 ASN A 45 86.894 0.673 11.024 1.00 0.00 N ATOM 0 H ASN A 45 84.760 2.791 11.863 1.00 0.00 H new ATOM 0 HA ASN A 45 87.645 3.226 12.357 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.607 2.919 10.127 1.00 0.00 H new ATOM 0 HB3 ASN A 45 87.106 3.731 9.725 1.00 0.00 H new ATOM 0 HD21 ASN A 45 87.355 -0.235 10.977 1.00 0.00 H new ATOM 0 HD22 ASN A 45 86.068 0.796 11.609 1.00 0.00 H new ATOM 677 N ASP A 46 85.776 5.680 11.208 1.00 0.00 N ATOM 678 CA ASP A 46 85.647 7.171 11.120 1.00 0.00 C ATOM 679 C ASP A 46 84.959 7.558 9.811 1.00 0.00 C ATOM 680 O ASP A 46 85.214 8.605 9.250 1.00 0.00 O ATOM 681 CB ASP A 46 87.061 7.766 11.146 1.00 0.00 C ATOM 682 CG ASP A 46 87.396 8.234 12.565 1.00 0.00 C ATOM 683 OD1 ASP A 46 86.481 8.333 13.366 1.00 0.00 O ATOM 684 OD2 ASP A 46 88.561 8.485 12.824 1.00 0.00 O ATOM 0 H ASP A 46 85.026 5.172 10.738 1.00 0.00 H new ATOM 0 HA ASP A 46 85.053 7.548 11.952 1.00 0.00 H new ATOM 0 HB2 ASP A 46 87.786 7.021 10.817 1.00 0.00 H new ATOM 0 HB3 ASP A 46 87.127 8.603 10.451 1.00 0.00 H new ATOM 689 N LEU A 47 84.091 6.723 9.317 1.00 0.00 N ATOM 690 CA LEU A 47 83.390 7.042 8.048 1.00 0.00 C ATOM 691 C LEU A 47 81.991 7.578 8.349 1.00 0.00 C ATOM 692 O LEU A 47 81.723 8.074 9.425 1.00 0.00 O ATOM 693 CB LEU A 47 83.317 5.708 7.302 1.00 0.00 C ATOM 694 CG LEU A 47 84.387 5.676 6.210 1.00 0.00 C ATOM 695 CD1 LEU A 47 85.736 5.312 6.831 1.00 0.00 C ATOM 696 CD2 LEU A 47 84.011 4.629 5.160 1.00 0.00 C ATOM 0 H LEU A 47 83.837 5.830 9.740 1.00 0.00 H new ATOM 0 HA LEU A 47 83.900 7.806 7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.467 4.882 7.997 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.328 5.579 6.861 1.00 0.00 H new ATOM 0 HG LEU A 47 84.456 6.656 5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 47 86.500 5.289 6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 47 86.004 6.056 7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 47 85.667 4.331 7.302 1.00 0.00 H new ATOM 0 HD21 LEU A 47 84.773 4.605 4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 47 83.943 3.649 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 47 83.048 4.886 4.718 1.00 0.00 H new ATOM 708 N ALA A 48 81.098 7.483 7.409 1.00 0.00 N ATOM 709 CA ALA A 48 79.714 7.986 7.641 1.00 0.00 C ATOM 710 C ALA A 48 78.736 7.303 6.686 1.00 0.00 C ATOM 711 O ALA A 48 78.113 7.937 5.857 1.00 0.00 O ATOM 712 CB ALA A 48 79.783 9.487 7.362 1.00 0.00 C ATOM 0 H ALA A 48 81.264 7.079 6.487 1.00 0.00 H new ATOM 0 HA ALA A 48 79.364 7.778 8.652 1.00 0.00 H new ATOM 0 HB1 ALA A 48 78.799 9.931 7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.498 9.951 8.042 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.102 9.651 6.333 1.00 0.00 H new ATOM 718 N VAL A 49 78.594 6.014 6.802 1.00 0.00 N ATOM 719 CA VAL A 49 77.666 5.280 5.920 1.00 0.00 C ATOM 720 C VAL A 49 76.305 5.965 5.911 1.00 0.00 C ATOM 721 O VAL A 49 75.635 6.075 6.918 1.00 0.00 O ATOM 722 CB VAL A 49 77.573 3.889 6.536 1.00 0.00 C ATOM 723 CG1 VAL A 49 78.867 3.121 6.269 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.357 4.012 8.046 1.00 0.00 C ATOM 0 H VAL A 49 79.090 5.436 7.481 1.00 0.00 H new ATOM 0 HA VAL A 49 78.004 5.244 4.884 1.00 0.00 H new ATOM 0 HB VAL A 49 76.735 3.353 6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 49 78.798 2.127 6.711 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.021 3.031 5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 49 79.706 3.657 6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.291 3.017 8.486 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.194 4.550 8.491 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.432 4.556 8.238 1.00 0.00 H new ATOM 734 N VAL A 50 75.909 6.433 4.772 1.00 0.00 N ATOM 735 CA VAL A 50 74.598 7.133 4.656 1.00 0.00 C ATOM 736 C VAL A 50 73.504 6.150 4.237 1.00 0.00 C ATOM 737 O VAL A 50 72.416 6.152 4.778 1.00 0.00 O ATOM 738 CB VAL A 50 74.805 8.196 3.574 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.751 9.294 3.724 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.198 8.813 3.722 1.00 0.00 C ATOM 0 H VAL A 50 76.438 6.363 3.903 1.00 0.00 H new ATOM 0 HA VAL A 50 74.284 7.571 5.603 1.00 0.00 H new ATOM 0 HB VAL A 50 74.712 7.731 2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.900 10.050 2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.756 8.860 3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 50 73.844 9.756 4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.345 9.570 2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.289 9.274 4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 50 76.954 8.035 3.615 1.00 0.00 H new ATOM 750 N ASP A 51 73.777 5.311 3.274 1.00 0.00 N ATOM 751 CA ASP A 51 72.736 4.337 2.832 1.00 0.00 C ATOM 752 C ASP A 51 73.356 2.966 2.561 1.00 0.00 C ATOM 753 O ASP A 51 74.531 2.845 2.283 1.00 0.00 O ATOM 754 CB ASP A 51 72.162 4.926 1.544 1.00 0.00 C ATOM 755 CG ASP A 51 70.671 4.597 1.452 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.353 3.459 1.151 1.00 0.00 O ATOM 757 OD2 ASP A 51 69.873 5.490 1.685 1.00 0.00 O ATOM 0 H ASP A 51 74.667 5.257 2.778 1.00 0.00 H new ATOM 0 HA ASP A 51 71.971 4.188 3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.308 6.006 1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 51 72.689 4.521 0.680 1.00 0.00 H new ATOM 762 N VAL A 52 72.569 1.929 2.646 1.00 0.00 N ATOM 763 CA VAL A 52 73.097 0.565 2.401 1.00 0.00 C ATOM 764 C VAL A 52 72.114 -0.233 1.540 1.00 0.00 C ATOM 765 O VAL A 52 71.028 0.220 1.239 1.00 0.00 O ATOM 766 CB VAL A 52 73.227 -0.068 3.787 1.00 0.00 C ATOM 767 CG1 VAL A 52 74.574 0.312 4.400 1.00 0.00 C ATOM 768 CG2 VAL A 52 72.094 0.414 4.702 1.00 0.00 C ATOM 0 H VAL A 52 71.576 1.972 2.877 1.00 0.00 H new ATOM 0 HA VAL A 52 74.049 0.581 1.870 1.00 0.00 H new ATOM 0 HB VAL A 52 73.163 -1.151 3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 52 74.665 -0.140 5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 52 75.380 -0.049 3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 52 74.640 1.396 4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 52 72.200 -0.045 5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 52 72.143 1.498 4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 52 71.133 0.132 4.271 1.00 0.00 H new ATOM 778 N ARG A 53 72.485 -1.420 1.142 1.00 0.00 N ATOM 779 CA ARG A 53 71.571 -2.249 0.302 1.00 0.00 C ATOM 780 C ARG A 53 72.278 -3.536 -0.130 1.00 0.00 C ATOM 781 O ARG A 53 73.429 -3.758 0.189 1.00 0.00 O ATOM 782 CB ARG A 53 71.247 -1.380 -0.914 1.00 0.00 C ATOM 783 CG ARG A 53 69.739 -1.403 -1.171 1.00 0.00 C ATOM 784 CD ARG A 53 69.199 0.029 -1.174 1.00 0.00 C ATOM 785 NE ARG A 53 67.836 -0.074 -0.584 1.00 0.00 N ATOM 786 CZ ARG A 53 66.897 0.753 -0.959 1.00 0.00 C ATOM 787 NH1 ARG A 53 66.754 1.898 -0.352 1.00 0.00 N ATOM 788 NH2 ARG A 53 66.102 0.432 -1.943 1.00 0.00 N ATOM 0 H ARG A 53 73.382 -1.852 1.362 1.00 0.00 H new ATOM 0 HA ARG A 53 70.670 -2.544 0.840 1.00 0.00 H new ATOM 0 HB2 ARG A 53 71.582 -0.357 -0.743 1.00 0.00 H new ATOM 0 HB3 ARG A 53 71.781 -1.748 -1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 53 69.530 -1.884 -2.127 1.00 0.00 H new ATOM 0 HG3 ARG A 53 69.237 -1.990 -0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 53 69.834 0.692 -0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 53 69.162 0.435 -2.185 1.00 0.00 H new ATOM 0 HE ARG A 53 67.635 -0.791 0.113 1.00 0.00 H new ATOM 0 HH11 ARG A 53 67.376 2.149 0.417 1.00 0.00 H new ATOM 0 HH12 ARG A 53 66.020 2.543 -0.646 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.214 -0.464 -2.418 1.00 0.00 H new ATOM 0 HH22 ARG A 53 65.368 1.077 -2.237 1.00 0.00 H new ATOM 802 N THR A 54 71.599 -4.392 -0.843 1.00 0.00 N ATOM 803 CA THR A 54 72.226 -5.660 -1.282 1.00 0.00 C ATOM 804 C THR A 54 72.619 -5.581 -2.763 1.00 0.00 C ATOM 805 O THR A 54 72.254 -4.663 -3.468 1.00 0.00 O ATOM 806 CB THR A 54 71.133 -6.704 -1.074 1.00 0.00 C ATOM 807 OG1 THR A 54 70.144 -6.559 -2.084 1.00 0.00 O ATOM 808 CG2 THR A 54 70.492 -6.516 0.302 1.00 0.00 C ATOM 0 H THR A 54 70.632 -4.262 -1.140 1.00 0.00 H new ATOM 0 HA THR A 54 73.138 -5.891 -0.732 1.00 0.00 H new ATOM 0 HB THR A 54 71.570 -7.701 -1.132 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.442 -7.230 -1.953 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.712 -7.264 0.445 1.00 0.00 H new ATOM 0 HG22 THR A 54 71.251 -6.630 1.076 1.00 0.00 H new ATOM 0 HG23 THR A 54 70.055 -5.519 0.367 1.00 0.00 H new ATOM 816 N GLY A 55 73.357 -6.549 -3.233 1.00 0.00 N ATOM 817 CA GLY A 55 73.782 -6.560 -4.662 1.00 0.00 C ATOM 818 C GLY A 55 73.288 -7.847 -5.323 1.00 0.00 C ATOM 819 O GLY A 55 73.451 -8.929 -4.796 1.00 0.00 O ATOM 0 H GLY A 55 73.687 -7.341 -2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 55 73.377 -5.692 -5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 55 74.868 -6.495 -4.732 1.00 0.00 H new ATOM 823 N THR A 56 72.691 -7.735 -6.472 1.00 0.00 N ATOM 824 CA THR A 56 72.186 -8.948 -7.179 1.00 0.00 C ATOM 825 C THR A 56 71.198 -9.713 -6.291 1.00 0.00 C ATOM 826 O THR A 56 70.014 -9.443 -6.293 1.00 0.00 O ATOM 827 CB THR A 56 73.430 -9.796 -7.456 1.00 0.00 C ATOM 828 OG1 THR A 56 74.287 -9.096 -8.347 1.00 0.00 O ATOM 829 CG2 THR A 56 73.013 -11.126 -8.084 1.00 0.00 C ATOM 0 H THR A 56 72.528 -6.853 -6.958 1.00 0.00 H new ATOM 0 HA THR A 56 71.653 -8.696 -8.096 1.00 0.00 H new ATOM 0 HB THR A 56 73.956 -9.989 -6.521 1.00 0.00 H new ATOM 0 HG1 THR A 56 75.085 -9.636 -8.525 1.00 0.00 H new ATOM 0 HG21 THR A 56 73.899 -11.729 -8.281 1.00 0.00 H new ATOM 0 HG22 THR A 56 72.355 -11.661 -7.400 1.00 0.00 H new ATOM 0 HG23 THR A 56 72.487 -10.937 -9.020 1.00 0.00 H new ATOM 837 N ASN A 57 71.670 -10.667 -5.535 1.00 0.00 N ATOM 838 CA ASN A 57 70.746 -11.442 -4.657 1.00 0.00 C ATOM 839 C ASN A 57 71.499 -12.023 -3.455 1.00 0.00 C ATOM 840 O ASN A 57 72.147 -13.047 -3.551 1.00 0.00 O ATOM 841 CB ASN A 57 70.209 -12.565 -5.546 1.00 0.00 C ATOM 842 CG ASN A 57 68.723 -12.784 -5.250 1.00 0.00 C ATOM 843 OD1 ASN A 57 68.364 -13.214 -4.172 1.00 0.00 O ATOM 844 ND2 ASN A 57 67.840 -12.504 -6.169 1.00 0.00 N ATOM 0 H ASN A 57 72.651 -10.943 -5.487 1.00 0.00 H new ATOM 0 HA ASN A 57 69.949 -10.819 -4.252 1.00 0.00 H new ATOM 0 HB2 ASN A 57 70.348 -12.310 -6.597 1.00 0.00 H new ATOM 0 HB3 ASN A 57 70.766 -13.484 -5.365 1.00 0.00 H new ATOM 0 HD21 ASN A 57 66.847 -12.646 -5.983 1.00 0.00 H new ATOM 0 HD22 ASN A 57 68.142 -12.143 -7.074 1.00 0.00 H new ATOM 851 N ARG A 58 71.408 -11.379 -2.324 1.00 0.00 N ATOM 852 CA ARG A 58 72.107 -11.892 -1.108 1.00 0.00 C ATOM 853 C ARG A 58 73.541 -12.316 -1.440 1.00 0.00 C ATOM 854 O ARG A 58 74.133 -13.120 -0.747 1.00 0.00 O ATOM 855 CB ARG A 58 71.284 -13.100 -0.663 1.00 0.00 C ATOM 856 CG ARG A 58 69.846 -12.661 -0.374 1.00 0.00 C ATOM 857 CD ARG A 58 68.969 -13.896 -0.157 1.00 0.00 C ATOM 858 NE ARG A 58 69.081 -14.674 -1.422 1.00 0.00 N ATOM 859 CZ ARG A 58 69.338 -15.953 -1.382 1.00 0.00 C ATOM 860 NH1 ARG A 58 70.568 -16.369 -1.255 1.00 0.00 N ATOM 861 NH2 ARG A 58 68.362 -16.817 -1.467 1.00 0.00 N ATOM 0 H ARG A 58 70.879 -10.518 -2.188 1.00 0.00 H new ATOM 0 HA ARG A 58 72.181 -11.131 -0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 58 71.293 -13.865 -1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 58 71.725 -13.546 0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 58 69.820 -12.023 0.510 1.00 0.00 H new ATOM 0 HG3 ARG A 58 69.461 -12.070 -1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 58 69.313 -14.479 0.697 1.00 0.00 H new ATOM 0 HD3 ARG A 58 67.935 -13.616 0.044 1.00 0.00 H new ATOM 0 HE ARG A 58 68.957 -14.207 -2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 58 71.330 -15.694 -1.187 1.00 0.00 H new ATOM 0 HH12 ARG A 58 70.768 -17.369 -1.224 1.00 0.00 H new ATOM 0 HH21 ARG A 58 67.400 -16.492 -1.565 1.00 0.00 H new ATOM 0 HH22 ARG A 58 68.562 -17.817 -1.436 1.00 0.00 H new ATOM 875 N LYS A 59 74.108 -11.779 -2.483 1.00 0.00 N ATOM 876 CA LYS A 59 75.506 -12.153 -2.841 1.00 0.00 C ATOM 877 C LYS A 59 76.391 -10.904 -2.849 1.00 0.00 C ATOM 878 O LYS A 59 77.559 -10.951 -2.520 1.00 0.00 O ATOM 879 CB LYS A 59 75.411 -12.758 -4.243 1.00 0.00 C ATOM 880 CG LYS A 59 76.742 -13.418 -4.608 1.00 0.00 C ATOM 881 CD LYS A 59 76.480 -14.660 -5.460 1.00 0.00 C ATOM 882 CE LYS A 59 77.179 -14.508 -6.813 1.00 0.00 C ATOM 883 NZ LYS A 59 76.086 -14.200 -7.777 1.00 0.00 N ATOM 0 H LYS A 59 73.667 -11.099 -3.102 1.00 0.00 H new ATOM 0 HA LYS A 59 75.946 -12.853 -2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.607 -13.493 -4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 59 75.167 -11.983 -4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 59 77.370 -12.715 -5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.284 -13.693 -3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 59 76.846 -15.549 -4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 59 75.408 -14.795 -5.606 1.00 0.00 H new ATOM 0 HE2 LYS A 59 77.920 -13.709 -6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 59 77.705 -15.421 -7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 76.486 -14.081 -8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 75.400 -14.981 -7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 75.608 -13.322 -7.491 1.00 0.00 H new ATOM 897 N PHE A 60 75.831 -9.786 -3.215 1.00 0.00 N ATOM 898 CA PHE A 60 76.616 -8.520 -3.242 1.00 0.00 C ATOM 899 C PHE A 60 75.978 -7.506 -2.291 1.00 0.00 C ATOM 900 O PHE A 60 75.200 -7.857 -1.427 1.00 0.00 O ATOM 901 CB PHE A 60 76.499 -8.015 -4.676 1.00 0.00 C ATOM 902 CG PHE A 60 77.482 -8.695 -5.577 1.00 0.00 C ATOM 903 CD1 PHE A 60 77.456 -10.082 -5.719 1.00 0.00 C ATOM 904 CD2 PHE A 60 78.401 -7.929 -6.294 1.00 0.00 C ATOM 905 CE1 PHE A 60 78.355 -10.709 -6.579 1.00 0.00 C ATOM 906 CE2 PHE A 60 79.300 -8.549 -7.158 1.00 0.00 C ATOM 907 CZ PHE A 60 79.281 -9.944 -7.303 1.00 0.00 C ATOM 0 H PHE A 60 74.856 -9.694 -3.499 1.00 0.00 H new ATOM 0 HA PHE A 60 77.652 -8.667 -2.937 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.487 -8.188 -5.043 1.00 0.00 H new ATOM 0 HB3 PHE A 60 76.667 -6.938 -4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 60 76.740 -10.669 -5.163 1.00 0.00 H new ATOM 0 HD2 PHE A 60 78.415 -6.855 -6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 60 78.339 -11.783 -6.688 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.011 -7.957 -7.715 1.00 0.00 H new ATOM 0 HZ PHE A 60 79.978 -10.428 -7.971 1.00 0.00 H new ATOM 917 N GLY A 61 76.283 -6.249 -2.456 1.00 0.00 N ATOM 918 CA GLY A 61 75.674 -5.218 -1.573 1.00 0.00 C ATOM 919 C GLY A 61 75.942 -3.824 -2.142 1.00 0.00 C ATOM 920 O GLY A 61 76.743 -3.650 -3.036 1.00 0.00 O ATOM 0 H GLY A 61 76.926 -5.892 -3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.600 -5.386 -1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 61 76.088 -5.296 -0.568 1.00 0.00 H new ATOM 924 N TYR A 62 75.273 -2.833 -1.629 1.00 0.00 N ATOM 925 CA TYR A 62 75.478 -1.441 -2.131 1.00 0.00 C ATOM 926 C TYR A 62 75.421 -0.466 -0.965 1.00 0.00 C ATOM 927 O TYR A 62 74.816 -0.735 0.053 1.00 0.00 O ATOM 928 CB TYR A 62 74.331 -1.201 -3.115 1.00 0.00 C ATOM 929 CG TYR A 62 74.176 0.278 -3.374 1.00 0.00 C ATOM 930 CD1 TYR A 62 73.345 1.048 -2.552 1.00 0.00 C ATOM 931 CD2 TYR A 62 74.855 0.878 -4.440 1.00 0.00 C ATOM 932 CE1 TYR A 62 73.192 2.418 -2.796 1.00 0.00 C ATOM 933 CE2 TYR A 62 74.705 2.248 -4.684 1.00 0.00 C ATOM 934 CZ TYR A 62 73.873 3.017 -3.863 1.00 0.00 C ATOM 935 OH TYR A 62 73.721 4.367 -4.105 1.00 0.00 O ATOM 0 H TYR A 62 74.588 -2.924 -0.879 1.00 0.00 H new ATOM 0 HA TYR A 62 76.446 -1.301 -2.612 1.00 0.00 H new ATOM 0 HB2 TYR A 62 74.528 -1.724 -4.051 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.403 -1.607 -2.712 1.00 0.00 H new ATOM 0 HD1 TYR A 62 72.821 0.585 -1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 62 75.495 0.284 -5.075 1.00 0.00 H new ATOM 0 HE1 TYR A 62 72.550 3.012 -2.162 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.231 2.711 -5.506 1.00 0.00 H new ATOM 0 HH TYR A 62 72.942 4.702 -3.613 1.00 0.00 H new ATOM 945 N VAL A 63 76.071 0.656 -1.090 1.00 0.00 N ATOM 946 CA VAL A 63 76.071 1.618 0.038 1.00 0.00 C ATOM 947 C VAL A 63 76.377 3.039 -0.446 1.00 0.00 C ATOM 948 O VAL A 63 76.954 3.243 -1.495 1.00 0.00 O ATOM 949 CB VAL A 63 77.192 1.114 0.941 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.515 2.170 1.983 1.00 0.00 C ATOM 951 CG2 VAL A 63 76.761 -0.177 1.642 1.00 0.00 C ATOM 0 H VAL A 63 76.596 0.944 -1.916 1.00 0.00 H new ATOM 0 HA VAL A 63 75.105 1.672 0.539 1.00 0.00 H new ATOM 0 HB VAL A 63 78.075 0.913 0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.316 1.811 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.833 3.086 1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.628 2.372 2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 63 77.568 -0.529 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 63 75.874 0.015 2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 63 76.533 -0.938 0.895 1.00 0.00 H new ATOM 961 N ASP A 64 75.999 4.017 0.329 1.00 0.00 N ATOM 962 CA ASP A 64 76.265 5.430 -0.047 1.00 0.00 C ATOM 963 C ASP A 64 77.051 6.111 1.073 1.00 0.00 C ATOM 964 O ASP A 64 76.824 5.858 2.242 1.00 0.00 O ATOM 965 CB ASP A 64 74.888 6.065 -0.195 1.00 0.00 C ATOM 966 CG ASP A 64 74.024 5.207 -1.120 1.00 0.00 C ATOM 967 OD1 ASP A 64 74.571 4.322 -1.758 1.00 0.00 O ATOM 968 OD2 ASP A 64 72.829 5.449 -1.176 1.00 0.00 O ATOM 0 H ASP A 64 75.512 3.894 1.217 1.00 0.00 H new ATOM 0 HA ASP A 64 76.850 5.521 -0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.412 6.157 0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 64 74.983 7.072 -0.600 1.00 0.00 H new ATOM 973 N PHE A 65 77.976 6.964 0.730 1.00 0.00 N ATOM 974 CA PHE A 65 78.788 7.647 1.778 1.00 0.00 C ATOM 975 C PHE A 65 78.345 9.100 1.956 1.00 0.00 C ATOM 976 O PHE A 65 77.481 9.589 1.256 1.00 0.00 O ATOM 977 CB PHE A 65 80.224 7.565 1.269 1.00 0.00 C ATOM 978 CG PHE A 65 80.692 6.138 1.401 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.784 5.551 2.668 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.017 5.397 0.260 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.204 4.224 2.794 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.434 4.067 0.386 1.00 0.00 C ATOM 983 CZ PHE A 65 81.528 3.482 1.655 1.00 0.00 C ATOM 0 H PHE A 65 78.205 7.218 -0.231 1.00 0.00 H new ATOM 0 HA PHE A 65 78.674 7.181 2.757 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.277 7.887 0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.869 8.231 1.843 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.531 6.123 3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 65 80.946 5.851 -0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 65 81.278 3.772 3.772 1.00 0.00 H new ATOM 0 HE2 PHE A 65 81.683 3.493 -0.494 1.00 0.00 H new ATOM 0 HZ PHE A 65 81.851 2.456 1.753 1.00 0.00 H new ATOM 993 N GLU A 66 78.915 9.784 2.912 1.00 0.00 N ATOM 994 CA GLU A 66 78.509 11.197 3.163 1.00 0.00 C ATOM 995 C GLU A 66 79.633 12.173 2.818 1.00 0.00 C ATOM 996 O GLU A 66 79.569 13.341 3.148 1.00 0.00 O ATOM 997 CB GLU A 66 78.199 11.253 4.660 1.00 0.00 C ATOM 998 CG GLU A 66 76.697 11.455 4.868 1.00 0.00 C ATOM 999 CD GLU A 66 76.427 12.904 5.277 1.00 0.00 C ATOM 1000 OE1 GLU A 66 77.363 13.565 5.694 1.00 0.00 O ATOM 1001 OE2 GLU A 66 75.289 13.327 5.167 1.00 0.00 O ATOM 0 H GLU A 66 79.644 9.426 3.529 1.00 0.00 H new ATOM 0 HA GLU A 66 77.658 11.485 2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.522 10.331 5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.753 12.068 5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.157 11.219 3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 66 76.331 10.775 5.637 1.00 0.00 H new ATOM 1008 N SER A 67 80.655 11.720 2.159 1.00 0.00 N ATOM 1009 CA SER A 67 81.766 12.656 1.800 1.00 0.00 C ATOM 1010 C SER A 67 82.789 12.007 0.884 1.00 0.00 C ATOM 1011 O SER A 67 82.777 10.817 0.638 1.00 0.00 O ATOM 1012 CB SER A 67 82.438 13.025 3.119 1.00 0.00 C ATOM 1013 OG SER A 67 82.609 11.856 3.909 1.00 0.00 O ATOM 0 H SER A 67 80.776 10.755 1.853 1.00 0.00 H new ATOM 0 HA SER A 67 81.370 13.520 1.266 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.404 13.492 2.929 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.832 13.754 3.656 1.00 0.00 H new ATOM 0 HG SER A 67 83.042 12.094 4.755 1.00 0.00 H new ATOM 1019 N ALA A 68 83.703 12.802 0.417 1.00 0.00 N ATOM 1020 CA ALA A 68 84.785 12.286 -0.453 1.00 0.00 C ATOM 1021 C ALA A 68 85.815 11.627 0.445 1.00 0.00 C ATOM 1022 O ALA A 68 86.569 10.764 0.043 1.00 0.00 O ATOM 1023 CB ALA A 68 85.378 13.529 -1.102 1.00 0.00 C ATOM 0 H ALA A 68 83.746 13.804 0.605 1.00 0.00 H new ATOM 0 HA ALA A 68 84.451 11.564 -1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.191 13.239 -1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.607 14.044 -1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.761 14.195 -0.329 1.00 0.00 H new ATOM 1029 N GLU A 69 85.829 12.047 1.673 1.00 0.00 N ATOM 1030 CA GLU A 69 86.780 11.484 2.654 1.00 0.00 C ATOM 1031 C GLU A 69 86.192 10.203 3.242 1.00 0.00 C ATOM 1032 O GLU A 69 86.902 9.321 3.686 1.00 0.00 O ATOM 1033 CB GLU A 69 86.902 12.577 3.709 1.00 0.00 C ATOM 1034 CG GLU A 69 88.370 12.759 4.086 1.00 0.00 C ATOM 1035 CD GLU A 69 88.580 12.353 5.545 1.00 0.00 C ATOM 1036 OE1 GLU A 69 87.662 12.536 6.329 1.00 0.00 O ATOM 1037 OE2 GLU A 69 89.654 11.864 5.855 1.00 0.00 O ATOM 0 H GLU A 69 85.210 12.769 2.042 1.00 0.00 H new ATOM 0 HA GLU A 69 87.749 11.219 2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.495 13.513 3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.319 12.312 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 69 89.001 12.153 3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.667 13.798 3.941 1.00 0.00 H new ATOM 1044 N ASP A 70 84.891 10.080 3.210 1.00 0.00 N ATOM 1045 CA ASP A 70 84.245 8.852 3.725 1.00 0.00 C ATOM 1046 C ASP A 70 84.292 7.809 2.621 1.00 0.00 C ATOM 1047 O ASP A 70 84.307 6.618 2.861 1.00 0.00 O ATOM 1048 CB ASP A 70 82.806 9.267 4.027 1.00 0.00 C ATOM 1049 CG ASP A 70 81.913 8.031 4.126 1.00 0.00 C ATOM 1050 OD1 ASP A 70 82.439 6.961 4.385 1.00 0.00 O ATOM 1051 OD2 ASP A 70 80.717 8.179 3.939 1.00 0.00 O ATOM 0 H ASP A 70 84.250 10.785 2.846 1.00 0.00 H new ATOM 0 HA ASP A 70 84.724 8.433 4.610 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.769 9.827 4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.438 9.929 3.243 1.00 0.00 H new ATOM 1056 N LEU A 71 84.337 8.266 1.399 1.00 0.00 N ATOM 1057 CA LEU A 71 84.407 7.329 0.255 1.00 0.00 C ATOM 1058 C LEU A 71 85.846 6.836 0.093 1.00 0.00 C ATOM 1059 O LEU A 71 86.091 5.704 -0.275 1.00 0.00 O ATOM 1060 CB LEU A 71 83.968 8.148 -0.962 1.00 0.00 C ATOM 1061 CG LEU A 71 84.062 7.295 -2.232 1.00 0.00 C ATOM 1062 CD1 LEU A 71 85.524 7.180 -2.668 1.00 0.00 C ATOM 1063 CD2 LEU A 71 83.501 5.896 -1.961 1.00 0.00 C ATOM 0 H LEU A 71 84.328 9.255 1.148 1.00 0.00 H new ATOM 0 HA LEU A 71 83.776 6.450 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 71 82.945 8.498 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.597 9.033 -1.061 1.00 0.00 H new ATOM 0 HG LEU A 71 83.482 7.770 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 71 85.588 6.573 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 71 85.923 8.174 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 71 86.105 6.711 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 71 83.570 5.294 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 71 84.075 5.421 -1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 71 82.457 5.975 -1.657 1.00 0.00 H new ATOM 1075 N GLU A 72 86.800 7.683 0.375 1.00 0.00 N ATOM 1076 CA GLU A 72 88.227 7.273 0.250 1.00 0.00 C ATOM 1077 C GLU A 72 88.606 6.357 1.414 1.00 0.00 C ATOM 1078 O GLU A 72 89.381 5.428 1.266 1.00 0.00 O ATOM 1079 CB GLU A 72 89.022 8.578 0.311 1.00 0.00 C ATOM 1080 CG GLU A 72 90.519 8.263 0.359 1.00 0.00 C ATOM 1081 CD GLU A 72 91.308 9.558 0.557 1.00 0.00 C ATOM 1082 OE1 GLU A 72 91.144 10.175 1.597 1.00 0.00 O ATOM 1083 OE2 GLU A 72 92.061 9.911 -0.334 1.00 0.00 O ATOM 0 H GLU A 72 86.651 8.643 0.687 1.00 0.00 H new ATOM 0 HA GLU A 72 88.424 6.723 -0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.797 9.194 -0.560 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.732 9.152 1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 72 90.729 7.569 1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 72 90.828 7.774 -0.565 1.00 0.00 H new ATOM 1090 N LYS A 73 88.038 6.587 2.569 1.00 0.00 N ATOM 1091 CA LYS A 73 88.344 5.711 3.725 1.00 0.00 C ATOM 1092 C LYS A 73 87.501 4.457 3.585 1.00 0.00 C ATOM 1093 O LYS A 73 87.812 3.412 4.121 1.00 0.00 O ATOM 1094 CB LYS A 73 87.938 6.515 4.961 1.00 0.00 C ATOM 1095 CG LYS A 73 88.658 5.957 6.190 1.00 0.00 C ATOM 1096 CD LYS A 73 89.988 6.689 6.378 1.00 0.00 C ATOM 1097 CE LYS A 73 89.780 7.901 7.288 1.00 0.00 C ATOM 1098 NZ LYS A 73 90.717 8.937 6.770 1.00 0.00 N ATOM 0 H LYS A 73 87.378 7.342 2.756 1.00 0.00 H new ATOM 0 HA LYS A 73 89.391 5.415 3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 73 88.191 7.566 4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 73 86.859 6.463 5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 73 88.035 6.079 7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 73 88.833 4.888 6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 73 90.727 6.016 6.814 1.00 0.00 H new ATOM 0 HD3 LYS A 73 90.379 7.009 5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 73 88.748 8.249 7.252 1.00 0.00 H new ATOM 0 HE3 LYS A 73 89.998 7.656 8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 90.632 9.800 7.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 91.693 8.580 6.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 90.481 9.155 5.781 1.00 0.00 H new ATOM 1112 N ALA A 74 86.436 4.560 2.842 1.00 0.00 N ATOM 1113 CA ALA A 74 85.567 3.385 2.632 1.00 0.00 C ATOM 1114 C ALA A 74 86.213 2.460 1.601 1.00 0.00 C ATOM 1115 O ALA A 74 86.023 1.260 1.617 1.00 0.00 O ATOM 1116 CB ALA A 74 84.250 3.948 2.105 1.00 0.00 C ATOM 0 H ALA A 74 86.134 5.413 2.372 1.00 0.00 H new ATOM 0 HA ALA A 74 85.413 2.805 3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.551 3.131 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.827 4.632 2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.430 4.484 1.173 1.00 0.00 H new ATOM 1122 N LEU A 75 86.991 3.018 0.711 1.00 0.00 N ATOM 1123 CA LEU A 75 87.670 2.191 -0.314 1.00 0.00 C ATOM 1124 C LEU A 75 88.840 1.462 0.337 1.00 0.00 C ATOM 1125 O LEU A 75 89.025 0.275 0.157 1.00 0.00 O ATOM 1126 CB LEU A 75 88.158 3.204 -1.350 1.00 0.00 C ATOM 1127 CG LEU A 75 89.038 2.516 -2.393 1.00 0.00 C ATOM 1128 CD1 LEU A 75 90.433 2.274 -1.815 1.00 0.00 C ATOM 1129 CD2 LEU A 75 88.414 1.178 -2.803 1.00 0.00 C ATOM 0 H LEU A 75 87.183 4.018 0.655 1.00 0.00 H new ATOM 0 HA LEU A 75 87.029 1.433 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.305 3.675 -1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 75 88.720 3.997 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 75 89.116 3.159 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 75 91.056 1.783 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 75 90.882 3.227 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 75 90.356 1.638 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 75 89.047 0.694 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 75 88.325 0.535 -1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.425 1.352 -3.227 1.00 0.00 H new ATOM 1141 N GLU A 76 89.624 2.163 1.111 1.00 0.00 N ATOM 1142 CA GLU A 76 90.767 1.500 1.788 1.00 0.00 C ATOM 1143 C GLU A 76 90.233 0.500 2.814 1.00 0.00 C ATOM 1144 O GLU A 76 90.877 -0.475 3.146 1.00 0.00 O ATOM 1145 CB GLU A 76 91.530 2.626 2.483 1.00 0.00 C ATOM 1146 CG GLU A 76 92.935 2.736 1.888 1.00 0.00 C ATOM 1147 CD GLU A 76 93.464 4.158 2.087 1.00 0.00 C ATOM 1148 OE1 GLU A 76 92.992 4.822 2.995 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.332 4.557 1.328 1.00 0.00 O ATOM 0 H GLU A 76 89.521 3.160 1.301 1.00 0.00 H new ATOM 0 HA GLU A 76 91.407 0.953 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 76 90.997 3.569 2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.592 2.431 3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.601 2.018 2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 76 92.912 2.490 0.826 1.00 0.00 H new ATOM 1156 N LEU A 77 89.049 0.739 3.311 1.00 0.00 N ATOM 1157 CA LEU A 77 88.452 -0.190 4.311 1.00 0.00 C ATOM 1158 C LEU A 77 88.066 -1.503 3.633 1.00 0.00 C ATOM 1159 O LEU A 77 87.907 -2.523 4.274 1.00 0.00 O ATOM 1160 CB LEU A 77 87.204 0.531 4.814 1.00 0.00 C ATOM 1161 CG LEU A 77 87.532 1.284 6.099 1.00 0.00 C ATOM 1162 CD1 LEU A 77 86.404 2.268 6.411 1.00 0.00 C ATOM 1163 CD2 LEU A 77 87.672 0.284 7.248 1.00 0.00 C ATOM 0 H LEU A 77 88.468 1.541 3.066 1.00 0.00 H new ATOM 0 HA LEU A 77 89.141 -0.433 5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.842 1.225 4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 77 86.405 -0.188 4.995 1.00 0.00 H new ATOM 0 HG LEU A 77 88.467 1.831 5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 77 86.636 2.808 7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 77 86.302 2.977 5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 77 85.469 1.722 6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 77 87.907 0.818 8.169 1.00 0.00 H new ATOM 0 HD22 LEU A 77 86.736 -0.260 7.373 1.00 0.00 H new ATOM 0 HD23 LEU A 77 88.473 -0.419 7.022 1.00 0.00 H new ATOM 1175 N THR A 78 87.910 -1.476 2.337 1.00 0.00 N ATOM 1176 CA THR A 78 87.530 -2.713 1.595 1.00 0.00 C ATOM 1177 C THR A 78 88.263 -3.913 2.166 1.00 0.00 C ATOM 1178 O THR A 78 87.781 -5.028 2.167 1.00 0.00 O ATOM 1179 CB THR A 78 87.947 -2.444 0.145 1.00 0.00 C ATOM 1180 OG1 THR A 78 87.166 -3.248 -0.728 1.00 0.00 O ATOM 1181 CG2 THR A 78 89.432 -2.767 -0.052 1.00 0.00 C ATOM 0 H THR A 78 88.030 -0.646 1.757 1.00 0.00 H new ATOM 0 HA THR A 78 86.466 -2.939 1.671 1.00 0.00 H new ATOM 0 HB THR A 78 87.784 -1.390 -0.080 1.00 0.00 H new ATOM 0 HG1 THR A 78 86.598 -3.847 -0.200 1.00 0.00 H new ATOM 0 HG21 THR A 78 89.713 -2.571 -1.087 1.00 0.00 H new ATOM 0 HG22 THR A 78 90.031 -2.143 0.611 1.00 0.00 H new ATOM 0 HG23 THR A 78 89.610 -3.817 0.179 1.00 0.00 H new ATOM 1189 N GLY A 79 89.422 -3.666 2.653 1.00 0.00 N ATOM 1190 CA GLY A 79 90.240 -4.758 3.253 1.00 0.00 C ATOM 1191 C GLY A 79 89.410 -5.484 4.312 1.00 0.00 C ATOM 1192 O GLY A 79 89.695 -6.607 4.678 1.00 0.00 O ATOM 0 H GLY A 79 89.858 -2.744 2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.557 -5.458 2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.144 -4.347 3.701 1.00 0.00 H new ATOM 1196 N LEU A 80 88.381 -4.849 4.807 1.00 0.00 N ATOM 1197 CA LEU A 80 87.528 -5.489 5.842 1.00 0.00 C ATOM 1198 C LEU A 80 86.775 -6.683 5.257 1.00 0.00 C ATOM 1199 O LEU A 80 86.080 -6.571 4.269 1.00 0.00 O ATOM 1200 CB LEU A 80 86.551 -4.395 6.252 1.00 0.00 C ATOM 1201 CG LEU A 80 85.570 -4.136 5.108 1.00 0.00 C ATOM 1202 CD1 LEU A 80 84.286 -4.933 5.346 1.00 0.00 C ATOM 1203 CD2 LEU A 80 85.239 -2.643 5.049 1.00 0.00 C ATOM 0 H LEU A 80 88.096 -3.908 4.535 1.00 0.00 H new ATOM 0 HA LEU A 80 88.109 -5.870 6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 80 86.009 -4.693 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 80 87.093 -3.481 6.495 1.00 0.00 H new ATOM 0 HG LEU A 80 86.021 -4.447 4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 80 83.587 -4.748 4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 80 84.521 -5.997 5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 80 83.835 -4.623 6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 80 84.540 -2.457 4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 80 84.788 -2.333 5.992 1.00 0.00 H new ATOM 0 HD23 LEU A 80 86.153 -2.074 4.880 1.00 0.00 H new ATOM 1215 N LYS A 81 86.907 -7.822 5.873 1.00 0.00 N ATOM 1216 CA LYS A 81 86.199 -9.035 5.371 1.00 0.00 C ATOM 1217 C LYS A 81 84.877 -9.200 6.081 1.00 0.00 C ATOM 1218 O LYS A 81 84.720 -9.998 6.984 1.00 0.00 O ATOM 1219 CB LYS A 81 87.087 -10.185 5.722 1.00 0.00 C ATOM 1220 CG LYS A 81 87.721 -10.762 4.457 1.00 0.00 C ATOM 1221 CD LYS A 81 89.133 -11.258 4.772 1.00 0.00 C ATOM 1222 CE LYS A 81 89.779 -11.800 3.497 1.00 0.00 C ATOM 1223 NZ LYS A 81 91.191 -12.092 3.874 1.00 0.00 N ATOM 0 H LYS A 81 87.477 -7.968 6.706 1.00 0.00 H new ATOM 0 HA LYS A 81 86.001 -8.968 4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.865 -9.857 6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.512 -10.956 6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 81 87.113 -11.582 4.075 1.00 0.00 H new ATOM 0 HG3 LYS A 81 87.757 -10.002 3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 81 89.733 -10.444 5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 81 89.095 -12.038 5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 81 89.270 -12.698 3.148 1.00 0.00 H new ATOM 0 HE3 LYS A 81 89.729 -11.071 2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 91.700 -12.468 3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 91.652 -11.217 4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 91.207 -12.794 4.641 1.00 0.00 H new ATOM 1237 N VAL A 82 83.939 -8.451 5.664 1.00 0.00 N ATOM 1238 CA VAL A 82 82.584 -8.530 6.281 1.00 0.00 C ATOM 1239 C VAL A 82 82.204 -10.000 6.471 1.00 0.00 C ATOM 1240 O VAL A 82 82.334 -10.805 5.571 1.00 0.00 O ATOM 1241 CB VAL A 82 81.639 -7.846 5.294 1.00 0.00 C ATOM 1242 CG1 VAL A 82 80.196 -8.236 5.617 1.00 0.00 C ATOM 1243 CG2 VAL A 82 81.792 -6.328 5.414 1.00 0.00 C ATOM 0 H VAL A 82 84.032 -7.769 4.911 1.00 0.00 H new ATOM 0 HA VAL A 82 82.540 -8.049 7.258 1.00 0.00 H new ATOM 0 HB VAL A 82 81.883 -8.160 4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 82 79.521 -7.748 4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 82 80.085 -9.317 5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 82 79.952 -7.921 6.631 1.00 0.00 H new ATOM 0 HG21 VAL A 82 81.119 -5.838 4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 82 81.546 -6.017 6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 82 82.821 -6.047 5.188 1.00 0.00 H new ATOM 1253 N PHE A 83 81.750 -10.360 7.637 1.00 0.00 N ATOM 1254 CA PHE A 83 81.379 -11.783 7.887 1.00 0.00 C ATOM 1255 C PHE A 83 82.449 -12.724 7.319 1.00 0.00 C ATOM 1256 O PHE A 83 82.181 -13.870 7.021 1.00 0.00 O ATOM 1257 CB PHE A 83 80.047 -11.981 7.165 1.00 0.00 C ATOM 1258 CG PHE A 83 78.919 -11.831 8.157 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.631 -12.869 9.052 1.00 0.00 C ATOM 1260 CD2 PHE A 83 78.165 -10.653 8.185 1.00 0.00 C ATOM 1261 CE1 PHE A 83 77.588 -12.727 9.974 1.00 0.00 C ATOM 1262 CE2 PHE A 83 77.122 -10.512 9.108 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.834 -11.549 10.003 1.00 0.00 C ATOM 0 H PHE A 83 81.619 -9.732 8.430 1.00 0.00 H new ATOM 0 HA PHE A 83 81.301 -12.005 8.951 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.942 -11.250 6.363 1.00 0.00 H new ATOM 0 HB3 PHE A 83 80.013 -12.968 6.703 1.00 0.00 H new ATOM 0 HD1 PHE A 83 79.213 -13.778 9.031 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.387 -9.853 7.495 1.00 0.00 H new ATOM 0 HE1 PHE A 83 77.365 -13.528 10.664 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.539 -9.603 9.130 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.030 -11.440 10.716 1.00 0.00 H new ATOM 1273 N GLY A 84 83.661 -12.254 7.173 1.00 0.00 N ATOM 1274 CA GLY A 84 84.740 -13.129 6.633 1.00 0.00 C ATOM 1275 C GLY A 84 84.809 -12.986 5.112 1.00 0.00 C ATOM 1276 O GLY A 84 85.259 -13.876 4.416 1.00 0.00 O ATOM 0 H GLY A 84 83.948 -11.303 7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.698 -12.857 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 84 84.547 -14.168 6.902 1.00 0.00 H new ATOM 1280 N ASN A 85 84.369 -11.876 4.588 1.00 0.00 N ATOM 1281 CA ASN A 85 84.413 -11.683 3.110 1.00 0.00 C ATOM 1282 C ASN A 85 84.816 -10.246 2.773 1.00 0.00 C ATOM 1283 O ASN A 85 84.032 -9.326 2.899 1.00 0.00 O ATOM 1284 CB ASN A 85 82.990 -11.968 2.628 1.00 0.00 C ATOM 1285 CG ASN A 85 82.814 -13.473 2.416 1.00 0.00 C ATOM 1286 OD1 ASN A 85 83.626 -14.106 1.771 1.00 0.00 O ATOM 1287 ND2 ASN A 85 81.780 -14.076 2.935 1.00 0.00 N ATOM 0 H ASN A 85 83.981 -11.095 5.117 1.00 0.00 H new ATOM 0 HA ASN A 85 85.143 -12.336 2.632 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.268 -11.606 3.360 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.796 -11.434 1.698 1.00 0.00 H new ATOM 0 HD21 ASN A 85 81.653 -15.079 2.799 1.00 0.00 H new ATOM 0 HD22 ASN A 85 81.098 -13.544 3.477 1.00 0.00 H new ATOM 1294 N GLU A 86 86.033 -10.046 2.344 1.00 0.00 N ATOM 1295 CA GLU A 86 86.487 -8.668 1.992 1.00 0.00 C ATOM 1296 C GLU A 86 85.560 -8.068 0.939 1.00 0.00 C ATOM 1297 O GLU A 86 85.820 -8.128 -0.247 1.00 0.00 O ATOM 1298 CB GLU A 86 87.900 -8.852 1.449 1.00 0.00 C ATOM 1299 CG GLU A 86 88.297 -7.639 0.604 1.00 0.00 C ATOM 1300 CD GLU A 86 89.805 -7.412 0.715 1.00 0.00 C ATOM 1301 OE1 GLU A 86 90.418 -8.037 1.565 1.00 0.00 O ATOM 1302 OE2 GLU A 86 90.323 -6.617 -0.053 1.00 0.00 O ATOM 0 H GLU A 86 86.733 -10.777 2.222 1.00 0.00 H new ATOM 0 HA GLU A 86 86.471 -7.986 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.602 -8.977 2.273 1.00 0.00 H new ATOM 0 HB3 GLU A 86 87.952 -9.759 0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 86 88.019 -7.801 -0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 86 87.759 -6.754 0.944 1.00 0.00 H new ATOM 1309 N ILE A 87 84.475 -7.497 1.374 1.00 0.00 N ATOM 1310 CA ILE A 87 83.505 -6.889 0.419 1.00 0.00 C ATOM 1311 C ILE A 87 84.239 -6.159 -0.707 1.00 0.00 C ATOM 1312 O ILE A 87 85.108 -5.342 -0.474 1.00 0.00 O ATOM 1313 CB ILE A 87 82.692 -5.900 1.252 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.634 -4.874 1.888 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.945 -6.654 2.350 1.00 0.00 C ATOM 1316 CD1 ILE A 87 83.745 -3.650 0.978 1.00 0.00 C ATOM 0 H ILE A 87 84.214 -7.424 2.357 1.00 0.00 H new ATOM 0 HA ILE A 87 82.876 -7.643 -0.054 1.00 0.00 H new ATOM 0 HB ILE A 87 81.975 -5.387 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.259 -4.579 2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.618 -5.316 2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 87 81.364 -5.949 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 87 81.275 -7.385 1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 87 82.662 -7.167 2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 87 84.416 -2.920 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 87 84.140 -3.952 0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 87 82.759 -3.204 0.846 1.00 0.00 H new ATOM 1328 N LYS A 88 83.882 -6.443 -1.925 1.00 0.00 N ATOM 1329 CA LYS A 88 84.539 -5.765 -3.080 1.00 0.00 C ATOM 1330 C LYS A 88 83.590 -4.716 -3.659 1.00 0.00 C ATOM 1331 O LYS A 88 82.426 -4.976 -3.878 1.00 0.00 O ATOM 1332 CB LYS A 88 84.796 -6.869 -4.106 1.00 0.00 C ATOM 1333 CG LYS A 88 85.323 -8.121 -3.399 1.00 0.00 C ATOM 1334 CD LYS A 88 86.649 -8.544 -4.033 1.00 0.00 C ATOM 1335 CE LYS A 88 86.454 -8.753 -5.536 1.00 0.00 C ATOM 1336 NZ LYS A 88 86.699 -10.207 -5.757 1.00 0.00 N ATOM 0 H LYS A 88 83.160 -7.119 -2.175 1.00 0.00 H new ATOM 0 HA LYS A 88 85.461 -5.259 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.875 -7.102 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 88 85.518 -6.528 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 88 85.463 -7.920 -2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 88 84.596 -8.929 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 88 87.408 -7.782 -3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 88 87.008 -9.464 -3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 88 85.448 -8.470 -5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 88 87.149 -8.143 -6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 86.584 -10.429 -6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 87.666 -10.445 -5.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 86.018 -10.762 -5.201 1.00 0.00 H new ATOM 1350 N LEU A 89 84.066 -3.533 -3.903 1.00 0.00 N ATOM 1351 CA LEU A 89 83.171 -2.485 -4.454 1.00 0.00 C ATOM 1352 C LEU A 89 83.463 -2.248 -5.934 1.00 0.00 C ATOM 1353 O LEU A 89 84.395 -2.790 -6.495 1.00 0.00 O ATOM 1354 CB LEU A 89 83.474 -1.227 -3.642 1.00 0.00 C ATOM 1355 CG LEU A 89 84.985 -1.059 -3.475 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.342 0.427 -3.523 1.00 0.00 C ATOM 1357 CD2 LEU A 89 85.416 -1.644 -2.128 1.00 0.00 C ATOM 0 H LEU A 89 85.032 -3.246 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 89 82.122 -2.773 -4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 89 83.056 -0.353 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 89 82.997 -1.293 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 89 85.500 -1.582 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 89 86.419 0.547 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.034 0.844 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 89 84.828 0.951 -2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.493 -1.525 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.901 -1.121 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.162 -2.703 -2.093 1.00 0.00 H new ATOM 1369 N GLU A 90 82.666 -1.436 -6.568 1.00 0.00 N ATOM 1370 CA GLU A 90 82.881 -1.149 -8.015 1.00 0.00 C ATOM 1371 C GLU A 90 81.922 -0.050 -8.482 1.00 0.00 C ATOM 1372 O GLU A 90 80.751 -0.057 -8.157 1.00 0.00 O ATOM 1373 CB GLU A 90 82.578 -2.466 -8.729 1.00 0.00 C ATOM 1374 CG GLU A 90 83.876 -3.059 -9.281 1.00 0.00 C ATOM 1375 CD GLU A 90 84.030 -2.670 -10.753 1.00 0.00 C ATOM 1376 OE1 GLU A 90 83.169 -1.966 -11.253 1.00 0.00 O ATOM 1377 OE2 GLU A 90 85.008 -3.084 -11.354 1.00 0.00 O ATOM 0 H GLU A 90 81.871 -0.956 -6.146 1.00 0.00 H new ATOM 0 HA GLU A 90 83.892 -0.798 -8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 90 82.111 -3.167 -8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 90 81.869 -2.297 -9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 90 84.728 -2.695 -8.707 1.00 0.00 H new ATOM 0 HG3 GLU A 90 83.864 -4.144 -9.180 1.00 0.00 H new