USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=12 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 87:sc= -2.22! USER MOD Set 1.2: A 19 ASN : amide:sc= -3.53! C(o=-5.8!,f=-11!) USER MOD Single : A 15 THR OG1 : rot 34:sc= 0.00367 USER MOD Single : A 24 ASN : amide:sc= -2.23! X(o=-2.2!,f=-1.9) USER MOD Single : A 26 ASN : amide:sc= -4.24! C(o=-4.2!,f=-5.7!) USER MOD Single : A 28 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.08) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0.477 (180deg=0.473) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -125:sc= -5.73! (180deg=-7.3!) 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= -0.684! C(o=-0.68!,f=-2.5!) USER MOD Single : A 54 THR OG1 : rot 110:sc= -5.72! USER MOD Single : A 56 THR OG1 : rot 125:sc= 0.509 USER MOD Single : A 57 ASN : amide:sc= -0.383 K(o=-0.38,f=-3.7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -85:sc= -0.723 USER MOD Single : A 73 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.0353) USER MOD Single : A 78 THR OG1 : rot 91:sc= -6! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -3.9! C(o=-3.9!,f=-5.1!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.306 9.194 -2.592 1.00 0.00 N ATOM 191 CA THR A 15 70.241 9.346 -1.111 1.00 0.00 C ATOM 192 C THR A 15 71.513 10.022 -0.595 1.00 0.00 C ATOM 193 O THR A 15 71.623 10.354 0.569 1.00 0.00 O ATOM 194 CB THR A 15 70.131 7.921 -0.569 1.00 0.00 C ATOM 195 OG1 THR A 15 68.812 7.439 -0.774 1.00 0.00 O ATOM 196 CG2 THR A 15 70.453 7.913 0.928 1.00 0.00 C ATOM 0 HA THR A 15 69.402 9.965 -0.795 1.00 0.00 H new ATOM 0 HB THR A 15 70.839 7.278 -1.093 1.00 0.00 H new ATOM 0 HG1 THR A 15 68.454 7.809 -1.608 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.374 6.896 1.312 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.467 8.282 1.084 1.00 0.00 H new ATOM 0 HG23 THR A 15 69.748 8.556 1.455 1.00 0.00 H new ATOM 204 N THR A 16 72.477 10.225 -1.450 1.00 0.00 N ATOM 205 CA THR A 16 73.741 10.877 -1.003 1.00 0.00 C ATOM 206 C THR A 16 74.639 11.184 -2.202 1.00 0.00 C ATOM 207 O THR A 16 74.454 10.644 -3.275 1.00 0.00 O ATOM 208 CB THR A 16 74.408 9.853 -0.088 1.00 0.00 C ATOM 209 OG1 THR A 16 73.874 8.566 -0.357 1.00 0.00 O ATOM 210 CG2 THR A 16 74.145 10.222 1.371 1.00 0.00 C ATOM 0 H THR A 16 72.445 9.968 -2.437 1.00 0.00 H new ATOM 0 HA THR A 16 73.557 11.825 -0.497 1.00 0.00 H new ATOM 0 HB THR A 16 75.483 9.847 -0.269 1.00 0.00 H new ATOM 0 HG1 THR A 16 74.377 8.150 -1.088 1.00 0.00 H new ATOM 0 HG21 THR A 16 74.622 9.490 2.023 1.00 0.00 H new ATOM 0 HG22 THR A 16 74.554 11.211 1.576 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.071 10.228 1.557 1.00 0.00 H new ATOM 218 N PRO A 17 75.582 12.055 -1.973 1.00 0.00 N ATOM 219 CA PRO A 17 76.523 12.460 -3.040 1.00 0.00 C ATOM 220 C PRO A 17 77.630 11.413 -3.222 1.00 0.00 C ATOM 221 O PRO A 17 78.209 11.295 -4.284 1.00 0.00 O ATOM 222 CB PRO A 17 77.101 13.772 -2.523 1.00 0.00 C ATOM 223 CG PRO A 17 76.962 13.712 -1.032 1.00 0.00 C ATOM 224 CD PRO A 17 75.845 12.748 -0.710 1.00 0.00 C ATOM 0 HA PRO A 17 76.043 12.558 -4.014 1.00 0.00 H new ATOM 0 HB2 PRO A 17 78.145 13.883 -2.815 1.00 0.00 H new ATOM 0 HB3 PRO A 17 76.563 14.626 -2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 17 77.895 13.382 -0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 17 76.741 14.700 -0.629 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.138 12.048 0.073 1.00 0.00 H new ATOM 0 HD3 PRO A 17 74.959 13.273 -0.353 1.00 0.00 H new ATOM 232 N PHE A 18 77.939 10.658 -2.201 1.00 0.00 N ATOM 233 CA PHE A 18 79.017 9.638 -2.340 1.00 0.00 C ATOM 234 C PHE A 18 78.458 8.224 -2.167 1.00 0.00 C ATOM 235 O PHE A 18 77.925 7.874 -1.133 1.00 0.00 O ATOM 236 CB PHE A 18 80.012 9.962 -1.228 1.00 0.00 C ATOM 237 CG PHE A 18 80.575 11.342 -1.452 1.00 0.00 C ATOM 238 CD1 PHE A 18 81.604 11.537 -2.380 1.00 0.00 C ATOM 239 CD2 PHE A 18 80.066 12.428 -0.732 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.123 12.819 -2.591 1.00 0.00 C ATOM 241 CE2 PHE A 18 80.585 13.712 -0.942 1.00 0.00 C ATOM 242 CZ PHE A 18 81.614 13.907 -1.872 1.00 0.00 C ATOM 0 H PHE A 18 77.495 10.703 -1.284 1.00 0.00 H new ATOM 0 HA PHE A 18 79.478 9.667 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.520 9.911 -0.257 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.816 9.226 -1.217 1.00 0.00 H new ATOM 0 HD1 PHE A 18 81.998 10.697 -2.934 1.00 0.00 H new ATOM 0 HD2 PHE A 18 79.273 12.277 -0.014 1.00 0.00 H new ATOM 0 HE1 PHE A 18 82.916 12.969 -3.308 1.00 0.00 H new ATOM 0 HE2 PHE A 18 80.192 14.551 -0.387 1.00 0.00 H new ATOM 0 HZ PHE A 18 82.015 14.897 -2.034 1.00 0.00 H new ATOM 252 N ASN A 19 78.591 7.406 -3.175 1.00 0.00 N ATOM 253 CA ASN A 19 78.088 6.010 -3.085 1.00 0.00 C ATOM 254 C ASN A 19 79.142 5.058 -3.651 1.00 0.00 C ATOM 255 O ASN A 19 80.126 5.478 -4.224 1.00 0.00 O ATOM 256 CB ASN A 19 76.821 5.988 -3.938 1.00 0.00 C ATOM 257 CG ASN A 19 75.890 7.119 -3.499 1.00 0.00 C ATOM 258 OD1 ASN A 19 75.969 7.588 -2.381 1.00 0.00 O ATOM 259 ND2 ASN A 19 75.003 7.581 -4.338 1.00 0.00 N ATOM 0 H ASN A 19 79.030 7.649 -4.063 1.00 0.00 H new ATOM 0 HA ASN A 19 77.883 5.697 -2.061 1.00 0.00 H new ATOM 0 HB2 ASN A 19 77.077 6.102 -4.991 1.00 0.00 H new ATOM 0 HB3 ASN A 19 76.317 5.027 -3.835 1.00 0.00 H new ATOM 0 HD21 ASN A 19 74.377 8.335 -4.055 1.00 0.00 H new ATOM 0 HD22 ASN A 19 74.936 7.188 -5.277 1.00 0.00 H new ATOM 266 N LEU A 20 78.949 3.781 -3.490 1.00 0.00 N ATOM 267 CA LEU A 20 79.955 2.811 -4.015 1.00 0.00 C ATOM 268 C LEU A 20 79.325 1.442 -4.258 1.00 0.00 C ATOM 269 O LEU A 20 78.243 1.144 -3.795 1.00 0.00 O ATOM 270 CB LEU A 20 81.013 2.707 -2.916 1.00 0.00 C ATOM 271 CG LEU A 20 82.081 3.781 -3.118 1.00 0.00 C ATOM 272 CD1 LEU A 20 83.212 3.569 -2.113 1.00 0.00 C ATOM 273 CD2 LEU A 20 82.640 3.679 -4.536 1.00 0.00 C ATOM 0 H LEU A 20 78.144 3.365 -3.021 1.00 0.00 H new ATOM 0 HA LEU A 20 80.368 3.141 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.547 2.825 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 20 81.471 1.718 -2.933 1.00 0.00 H new ATOM 0 HG LEU A 20 81.639 4.766 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 20 83.974 4.335 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 20 82.816 3.637 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 20 83.654 2.584 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 20 83.402 4.444 -4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 20 83.082 2.694 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 20 81.835 3.826 -5.256 1.00 0.00 H new ATOM 285 N PHE A 21 80.019 0.604 -4.973 1.00 0.00 N ATOM 286 CA PHE A 21 79.503 -0.761 -5.252 1.00 0.00 C ATOM 287 C PHE A 21 80.134 -1.742 -4.264 1.00 0.00 C ATOM 288 O PHE A 21 81.180 -1.477 -3.708 1.00 0.00 O ATOM 289 CB PHE A 21 79.962 -1.060 -6.678 1.00 0.00 C ATOM 290 CG PHE A 21 78.863 -1.762 -7.438 1.00 0.00 C ATOM 291 CD1 PHE A 21 77.538 -1.330 -7.312 1.00 0.00 C ATOM 292 CD2 PHE A 21 79.170 -2.839 -8.279 1.00 0.00 C ATOM 293 CE1 PHE A 21 76.520 -1.974 -8.025 1.00 0.00 C ATOM 294 CE2 PHE A 21 78.153 -3.484 -8.992 1.00 0.00 C ATOM 295 CZ PHE A 21 76.827 -3.051 -8.864 1.00 0.00 C ATOM 0 H PHE A 21 80.931 0.810 -5.380 1.00 0.00 H new ATOM 0 HA PHE A 21 78.421 -0.844 -5.151 1.00 0.00 H new ATOM 0 HB2 PHE A 21 80.230 -0.133 -7.184 1.00 0.00 H new ATOM 0 HB3 PHE A 21 80.856 -1.683 -6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 21 77.301 -0.499 -6.664 1.00 0.00 H new ATOM 0 HD2 PHE A 21 80.193 -3.172 -8.377 1.00 0.00 H new ATOM 0 HE1 PHE A 21 75.498 -1.640 -7.928 1.00 0.00 H new ATOM 0 HE2 PHE A 21 78.390 -4.315 -9.640 1.00 0.00 H new ATOM 0 HZ PHE A 21 76.041 -3.549 -9.413 1.00 0.00 H new ATOM 305 N ILE A 22 79.512 -2.865 -4.038 1.00 0.00 N ATOM 306 CA ILE A 22 80.085 -3.855 -3.076 1.00 0.00 C ATOM 307 C ILE A 22 79.704 -5.276 -3.494 1.00 0.00 C ATOM 308 O ILE A 22 78.641 -5.511 -4.029 1.00 0.00 O ATOM 309 CB ILE A 22 79.454 -3.508 -1.727 1.00 0.00 C ATOM 310 CG1 ILE A 22 79.993 -2.160 -1.241 1.00 0.00 C ATOM 311 CG2 ILE A 22 79.806 -4.591 -0.706 1.00 0.00 C ATOM 312 CD1 ILE A 22 79.323 -1.791 0.084 1.00 0.00 C ATOM 0 H ILE A 22 78.633 -3.142 -4.475 1.00 0.00 H new ATOM 0 HA ILE A 22 81.174 -3.814 -3.040 1.00 0.00 H new ATOM 0 HB ILE A 22 78.371 -3.449 -1.839 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.074 -2.214 -1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 22 79.799 -1.389 -1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 22 79.356 -4.344 0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.424 -5.552 -1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 22 80.889 -4.649 -0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 22 79.706 -0.831 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 22 78.245 -1.720 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 22 79.540 -2.558 0.827 1.00 0.00 H new ATOM 324 N GLY A 23 80.563 -6.226 -3.249 1.00 0.00 N ATOM 325 CA GLY A 23 80.246 -7.630 -3.632 1.00 0.00 C ATOM 326 C GLY A 23 80.851 -8.588 -2.605 1.00 0.00 C ATOM 327 O GLY A 23 81.481 -8.174 -1.653 1.00 0.00 O ATOM 0 H GLY A 23 81.469 -6.091 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 23 79.166 -7.769 -3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.642 -7.846 -4.624 1.00 0.00 H new ATOM 331 N ASN A 24 80.662 -9.865 -2.794 1.00 0.00 N ATOM 332 CA ASN A 24 81.223 -10.863 -1.832 1.00 0.00 C ATOM 333 C ASN A 24 80.459 -10.812 -0.507 1.00 0.00 C ATOM 334 O ASN A 24 80.965 -11.202 0.526 1.00 0.00 O ATOM 335 CB ASN A 24 82.684 -10.453 -1.625 1.00 0.00 C ATOM 336 CG ASN A 24 83.484 -11.654 -1.120 1.00 0.00 C ATOM 337 OD1 ASN A 24 83.299 -12.762 -1.585 1.00 0.00 O ATOM 338 ND2 ASN A 24 84.373 -11.481 -0.180 1.00 0.00 N ATOM 0 H ASN A 24 80.142 -10.264 -3.575 1.00 0.00 H new ATOM 0 HA ASN A 24 81.139 -11.882 -2.209 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.107 -10.089 -2.561 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.745 -9.634 -0.908 1.00 0.00 H new ATOM 0 HD21 ASN A 24 84.912 -12.275 0.164 1.00 0.00 H new ATOM 0 HD22 ASN A 24 84.528 -10.551 0.210 1.00 0.00 H new ATOM 345 N LEU A 25 79.244 -10.339 -0.529 1.00 0.00 N ATOM 346 CA LEU A 25 78.450 -10.270 0.731 1.00 0.00 C ATOM 347 C LEU A 25 78.106 -11.679 1.208 1.00 0.00 C ATOM 348 O LEU A 25 77.504 -12.459 0.500 1.00 0.00 O ATOM 349 CB LEU A 25 77.180 -9.504 0.366 1.00 0.00 C ATOM 350 CG LEU A 25 77.478 -8.003 0.313 1.00 0.00 C ATOM 351 CD1 LEU A 25 77.846 -7.505 1.710 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.647 -7.746 -0.642 1.00 0.00 C ATOM 0 H LEU A 25 78.767 -9.998 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 25 78.998 -9.782 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 25 76.804 -9.844 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.400 -9.704 1.101 1.00 0.00 H new ATOM 0 HG LEU A 25 76.595 -7.472 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.058 -6.437 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 25 77.015 -7.686 2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 25 78.728 -8.037 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.858 -6.677 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.530 -8.278 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 25 78.386 -8.099 -1.640 1.00 0.00 H new ATOM 364 N ASN A 26 78.491 -12.003 2.407 1.00 0.00 N ATOM 365 CA ASN A 26 78.200 -13.358 2.953 1.00 0.00 C ATOM 366 C ASN A 26 76.782 -13.794 2.573 1.00 0.00 C ATOM 367 O ASN A 26 75.818 -13.380 3.185 1.00 0.00 O ATOM 368 CB ASN A 26 78.328 -13.194 4.466 1.00 0.00 C ATOM 369 CG ASN A 26 78.561 -14.561 5.113 1.00 0.00 C ATOM 370 OD1 ASN A 26 78.635 -15.564 4.431 1.00 0.00 O ATOM 371 ND2 ASN A 26 78.680 -14.644 6.410 1.00 0.00 N ATOM 0 H ASN A 26 78.999 -11.384 3.039 1.00 0.00 H new ATOM 0 HA ASN A 26 78.873 -14.120 2.562 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.155 -12.524 4.701 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.424 -12.738 4.870 1.00 0.00 H new ATOM 0 HD21 ASN A 26 78.835 -15.551 6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 26 78.618 -13.802 6.983 1.00 0.00 H new ATOM 378 N PRO A 27 76.709 -14.625 1.568 1.00 0.00 N ATOM 379 CA PRO A 27 75.400 -15.132 1.090 1.00 0.00 C ATOM 380 C PRO A 27 74.862 -16.197 2.052 1.00 0.00 C ATOM 381 O PRO A 27 73.669 -16.407 2.156 1.00 0.00 O ATOM 382 CB PRO A 27 75.730 -15.748 -0.267 1.00 0.00 C ATOM 383 CG PRO A 27 77.181 -16.105 -0.193 1.00 0.00 C ATOM 384 CD PRO A 27 77.829 -15.163 0.789 1.00 0.00 C ATOM 0 HA PRO A 27 74.635 -14.358 1.028 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.117 -16.629 -0.459 1.00 0.00 H new ATOM 0 HB3 PRO A 27 75.539 -15.043 -1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.306 -17.139 0.128 1.00 0.00 H new ATOM 0 HG3 PRO A 27 77.648 -16.017 -1.174 1.00 0.00 H new ATOM 0 HD2 PRO A 27 78.544 -15.683 1.427 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.376 -14.370 0.278 1.00 0.00 H new ATOM 392 N ASN A 28 75.733 -16.871 2.754 1.00 0.00 N ATOM 393 CA ASN A 28 75.272 -17.922 3.707 1.00 0.00 C ATOM 394 C ASN A 28 74.672 -17.270 4.953 1.00 0.00 C ATOM 395 O ASN A 28 73.861 -17.851 5.645 1.00 0.00 O ATOM 396 CB ASN A 28 76.529 -18.713 4.068 1.00 0.00 C ATOM 397 CG ASN A 28 77.262 -19.120 2.788 1.00 0.00 C ATOM 398 OD1 ASN A 28 78.468 -19.001 2.701 1.00 0.00 O ATOM 399 ND2 ASN A 28 76.578 -19.596 1.783 1.00 0.00 N ATOM 0 H ASN A 28 76.743 -16.739 2.709 1.00 0.00 H new ATOM 0 HA ASN A 28 74.501 -18.562 3.277 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.183 -18.110 4.698 1.00 0.00 H new ATOM 0 HB3 ASN A 28 76.261 -19.599 4.644 1.00 0.00 H new ATOM 0 HD21 ASN A 28 77.056 -19.868 0.924 1.00 0.00 H new ATOM 0 HD22 ASN A 28 75.566 -19.696 1.857 1.00 0.00 H new ATOM 406 N LYS A 29 75.065 -16.062 5.232 1.00 0.00 N ATOM 407 CA LYS A 29 74.521 -15.354 6.421 1.00 0.00 C ATOM 408 C LYS A 29 73.281 -14.559 6.024 1.00 0.00 C ATOM 409 O LYS A 29 72.606 -14.880 5.066 1.00 0.00 O ATOM 410 CB LYS A 29 75.643 -14.416 6.866 1.00 0.00 C ATOM 411 CG LYS A 29 76.071 -14.773 8.292 1.00 0.00 C ATOM 412 CD LYS A 29 75.046 -14.225 9.285 1.00 0.00 C ATOM 413 CE LYS A 29 75.315 -14.813 10.673 1.00 0.00 C ATOM 414 NZ LYS A 29 74.854 -13.767 11.627 1.00 0.00 N ATOM 0 H LYS A 29 75.743 -15.531 4.685 1.00 0.00 H new ATOM 0 HA LYS A 29 74.224 -16.036 7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.492 -14.500 6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.304 -13.381 6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.153 -15.855 8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 29 77.056 -14.356 8.502 1.00 0.00 H new ATOM 0 HD2 LYS A 29 75.105 -13.137 9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 29 74.037 -14.479 8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 29 74.773 -15.747 10.818 1.00 0.00 H new ATOM 0 HE3 LYS A 29 76.373 -15.034 10.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 74.974 -14.109 12.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 75.416 -12.902 11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 73.850 -13.558 11.455 1.00 0.00 H new ATOM 428 N SER A 30 72.980 -13.523 6.745 1.00 0.00 N ATOM 429 CA SER A 30 71.786 -12.704 6.401 1.00 0.00 C ATOM 430 C SER A 30 72.214 -11.431 5.680 1.00 0.00 C ATOM 431 O SER A 30 73.233 -10.842 5.987 1.00 0.00 O ATOM 432 CB SER A 30 71.141 -12.352 7.735 1.00 0.00 C ATOM 433 OG SER A 30 71.311 -13.431 8.642 1.00 0.00 O ATOM 0 H SER A 30 73.507 -13.205 7.558 1.00 0.00 H new ATOM 0 HA SER A 30 71.102 -13.239 5.743 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.592 -11.447 8.141 1.00 0.00 H new ATOM 0 HB3 SER A 30 70.080 -12.144 7.595 1.00 0.00 H new ATOM 0 HG SER A 30 70.898 -13.204 9.501 1.00 0.00 H new ATOM 439 N VAL A 31 71.442 -10.992 4.731 1.00 0.00 N ATOM 440 CA VAL A 31 71.811 -9.750 4.008 1.00 0.00 C ATOM 441 C VAL A 31 71.672 -8.554 4.949 1.00 0.00 C ATOM 442 O VAL A 31 72.398 -7.582 4.852 1.00 0.00 O ATOM 443 CB VAL A 31 70.832 -9.657 2.838 1.00 0.00 C ATOM 444 CG1 VAL A 31 71.362 -8.660 1.808 1.00 0.00 C ATOM 445 CG2 VAL A 31 70.689 -11.031 2.180 1.00 0.00 C ATOM 0 H VAL A 31 70.576 -11.437 4.426 1.00 0.00 H new ATOM 0 HA VAL A 31 72.842 -9.757 3.653 1.00 0.00 H new ATOM 0 HB VAL A 31 69.861 -9.324 3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 31 70.664 -8.593 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 31 71.468 -7.679 2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 31 72.333 -8.995 1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 31 69.991 -10.964 1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 31 71.661 -11.362 1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 31 70.313 -11.747 2.911 1.00 0.00 H new ATOM 455 N ALA A 32 70.755 -8.627 5.874 1.00 0.00 N ATOM 456 CA ALA A 32 70.584 -7.505 6.839 1.00 0.00 C ATOM 457 C ALA A 32 71.824 -7.416 7.728 1.00 0.00 C ATOM 458 O ALA A 32 72.244 -6.347 8.125 1.00 0.00 O ATOM 459 CB ALA A 32 69.350 -7.873 7.663 1.00 0.00 C ATOM 0 H ALA A 32 70.118 -9.413 6.003 1.00 0.00 H new ATOM 0 HA ALA A 32 70.461 -6.538 6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.158 -7.092 8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.488 -7.970 7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.523 -8.820 8.175 1.00 0.00 H new ATOM 465 N GLU A 33 72.422 -8.537 8.027 1.00 0.00 N ATOM 466 CA GLU A 33 73.648 -8.530 8.873 1.00 0.00 C ATOM 467 C GLU A 33 74.810 -7.939 8.076 1.00 0.00 C ATOM 468 O GLU A 33 75.641 -7.228 8.603 1.00 0.00 O ATOM 469 CB GLU A 33 73.919 -10.002 9.199 1.00 0.00 C ATOM 470 CG GLU A 33 72.742 -10.582 9.985 1.00 0.00 C ATOM 471 CD GLU A 33 72.813 -10.106 11.437 1.00 0.00 C ATOM 472 OE1 GLU A 33 73.904 -9.791 11.884 1.00 0.00 O ATOM 473 OE2 GLU A 33 71.776 -10.065 12.078 1.00 0.00 O ATOM 0 H GLU A 33 72.113 -9.460 7.721 1.00 0.00 H new ATOM 0 HA GLU A 33 73.530 -7.933 9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.068 -10.567 8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.837 -10.093 9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.800 -10.269 9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.767 -11.671 9.947 1.00 0.00 H new ATOM 480 N LEU A 34 74.862 -8.218 6.802 1.00 0.00 N ATOM 481 CA LEU A 34 75.951 -7.665 5.965 1.00 0.00 C ATOM 482 C LEU A 34 75.842 -6.145 5.947 1.00 0.00 C ATOM 483 O LEU A 34 76.830 -5.437 5.921 1.00 0.00 O ATOM 484 CB LEU A 34 75.698 -8.249 4.578 1.00 0.00 C ATOM 485 CG LEU A 34 76.169 -9.703 4.543 1.00 0.00 C ATOM 486 CD1 LEU A 34 75.711 -10.358 3.239 1.00 0.00 C ATOM 487 CD2 LEU A 34 77.697 -9.747 4.628 1.00 0.00 C ATOM 0 H LEU A 34 74.192 -8.808 6.308 1.00 0.00 H new ATOM 0 HA LEU A 34 76.948 -7.912 6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 34 74.637 -8.194 4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 34 76.227 -7.666 3.824 1.00 0.00 H new ATOM 0 HG LEU A 34 75.742 -10.243 5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.047 -11.395 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 34 74.623 -10.328 3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 34 76.136 -9.819 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.033 -10.784 4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.124 -9.207 3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 34 78.023 -9.282 5.558 1.00 0.00 H new ATOM 499 N LYS A 35 74.641 -5.638 5.978 1.00 0.00 N ATOM 500 CA LYS A 35 74.462 -4.162 5.981 1.00 0.00 C ATOM 501 C LYS A 35 75.042 -3.588 7.272 1.00 0.00 C ATOM 502 O LYS A 35 75.909 -2.736 7.254 1.00 0.00 O ATOM 503 CB LYS A 35 72.951 -3.940 5.917 1.00 0.00 C ATOM 504 CG LYS A 35 72.605 -3.158 4.648 1.00 0.00 C ATOM 505 CD LYS A 35 72.313 -4.137 3.508 1.00 0.00 C ATOM 506 CE LYS A 35 73.617 -4.788 3.041 1.00 0.00 C ATOM 507 NZ LYS A 35 74.359 -3.708 2.331 1.00 0.00 N ATOM 0 H LYS A 35 73.778 -6.182 6.001 1.00 0.00 H new ATOM 0 HA LYS A 35 74.969 -3.673 5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 35 72.431 -4.898 5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 35 72.615 -3.392 6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 35 71.738 -2.521 4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 35 73.432 -2.502 4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 35 71.613 -4.902 3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 35 71.839 -3.613 2.678 1.00 0.00 H new ATOM 0 HE2 LYS A 35 74.191 -5.171 3.885 1.00 0.00 H new ATOM 0 HE3 LYS A 35 73.421 -5.632 2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 74.600 -4.026 1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 73.764 -2.857 2.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 75.232 -3.487 2.851 1.00 0.00 H new ATOM 521 N VAL A 36 74.584 -4.069 8.395 1.00 0.00 N ATOM 522 CA VAL A 36 75.124 -3.576 9.692 1.00 0.00 C ATOM 523 C VAL A 36 76.621 -3.814 9.737 1.00 0.00 C ATOM 524 O VAL A 36 77.365 -2.980 10.185 1.00 0.00 O ATOM 525 CB VAL A 36 74.429 -4.413 10.754 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.690 -3.808 12.135 1.00 0.00 C ATOM 527 CG2 VAL A 36 72.922 -4.441 10.484 1.00 0.00 C ATOM 0 H VAL A 36 73.859 -4.782 8.470 1.00 0.00 H new ATOM 0 HA VAL A 36 74.952 -2.510 9.839 1.00 0.00 H new ATOM 0 HB VAL A 36 74.820 -5.430 10.724 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.191 -4.409 12.896 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.762 -3.794 12.329 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.302 -2.790 12.165 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.427 -5.042 11.247 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.529 -3.425 10.510 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.736 -4.876 9.502 1.00 0.00 H new ATOM 537 N ALA A 37 77.074 -4.939 9.266 1.00 0.00 N ATOM 538 CA ALA A 37 78.535 -5.199 9.282 1.00 0.00 C ATOM 539 C ALA A 37 79.240 -4.116 8.473 1.00 0.00 C ATOM 540 O ALA A 37 80.368 -3.763 8.738 1.00 0.00 O ATOM 541 CB ALA A 37 78.712 -6.571 8.632 1.00 0.00 C ATOM 0 H ALA A 37 76.499 -5.685 8.873 1.00 0.00 H new ATOM 0 HA ALA A 37 78.957 -5.186 10.287 1.00 0.00 H new ATOM 0 HB1 ALA A 37 79.771 -6.829 8.610 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.168 -7.319 9.208 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.324 -6.544 7.614 1.00 0.00 H new ATOM 547 N ILE A 38 78.569 -3.573 7.496 1.00 0.00 N ATOM 548 CA ILE A 38 79.189 -2.497 6.680 1.00 0.00 C ATOM 549 C ILE A 38 79.008 -1.154 7.389 1.00 0.00 C ATOM 550 O ILE A 38 79.847 -0.277 7.307 1.00 0.00 O ATOM 551 CB ILE A 38 78.433 -2.514 5.352 1.00 0.00 C ATOM 552 CG1 ILE A 38 78.696 -3.840 4.634 1.00 0.00 C ATOM 553 CG2 ILE A 38 78.911 -1.355 4.475 1.00 0.00 C ATOM 554 CD1 ILE A 38 77.554 -4.130 3.660 1.00 0.00 C ATOM 0 H ILE A 38 77.618 -3.829 7.229 1.00 0.00 H new ATOM 0 HA ILE A 38 80.259 -2.645 6.531 1.00 0.00 H new ATOM 0 HB ILE A 38 77.365 -2.407 5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 38 79.643 -3.793 4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 38 78.782 -4.648 5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 38 78.371 -1.368 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 38 78.724 -0.411 4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.979 -1.459 4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 38 77.742 -5.074 3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 38 76.615 -4.196 4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 38 77.489 -3.327 2.926 1.00 0.00 H new ATOM 566 N SER A 39 77.925 -0.992 8.106 1.00 0.00 N ATOM 567 CA SER A 39 77.710 0.292 8.830 1.00 0.00 C ATOM 568 C SER A 39 78.544 0.286 10.110 1.00 0.00 C ATOM 569 O SER A 39 78.897 1.317 10.651 1.00 0.00 O ATOM 570 CB SER A 39 76.218 0.324 9.158 1.00 0.00 C ATOM 571 OG SER A 39 76.000 1.182 10.270 1.00 0.00 O ATOM 0 H SER A 39 77.188 -1.688 8.220 1.00 0.00 H new ATOM 0 HA SER A 39 78.005 1.164 8.246 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.652 0.676 8.296 1.00 0.00 H new ATOM 0 HB3 SER A 39 75.862 -0.681 9.384 1.00 0.00 H new ATOM 0 HG SER A 39 75.044 1.206 10.482 1.00 0.00 H new ATOM 577 N GLU A 40 78.875 -0.880 10.582 1.00 0.00 N ATOM 578 CA GLU A 40 79.694 -0.989 11.811 1.00 0.00 C ATOM 579 C GLU A 40 81.167 -0.907 11.434 1.00 0.00 C ATOM 580 O GLU A 40 81.962 -0.280 12.105 1.00 0.00 O ATOM 581 CB GLU A 40 79.345 -2.356 12.382 1.00 0.00 C ATOM 582 CG GLU A 40 78.624 -2.188 13.720 1.00 0.00 C ATOM 583 CD GLU A 40 77.277 -1.498 13.493 1.00 0.00 C ATOM 584 OE1 GLU A 40 77.080 -0.969 12.411 1.00 0.00 O ATOM 585 OE2 GLU A 40 76.466 -1.510 14.404 1.00 0.00 O ATOM 0 H GLU A 40 78.609 -1.771 10.162 1.00 0.00 H new ATOM 0 HA GLU A 40 79.504 -0.196 12.534 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.711 -2.902 11.683 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.251 -2.946 12.518 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.472 -3.161 14.187 1.00 0.00 H new ATOM 0 HG3 GLU A 40 79.236 -1.599 14.403 1.00 0.00 H new ATOM 592 N LEU A 41 81.531 -1.520 10.344 1.00 0.00 N ATOM 593 CA LEU A 41 82.947 -1.457 9.900 1.00 0.00 C ATOM 594 C LEU A 41 83.288 -0.010 9.583 1.00 0.00 C ATOM 595 O LEU A 41 84.374 0.463 9.850 1.00 0.00 O ATOM 596 CB LEU A 41 83.024 -2.317 8.637 1.00 0.00 C ATOM 597 CG LEU A 41 84.435 -2.885 8.485 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.587 -4.122 9.371 1.00 0.00 C ATOM 599 CD2 LEU A 41 84.669 -3.274 7.024 1.00 0.00 C ATOM 0 H LEU A 41 80.909 -2.061 9.743 1.00 0.00 H new ATOM 0 HA LEU A 41 83.645 -1.815 10.657 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.299 -3.129 8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 41 82.766 -1.720 7.763 1.00 0.00 H new ATOM 0 HG LEU A 41 85.164 -2.133 8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.593 -4.526 9.262 1.00 0.00 H new ATOM 0 HD12 LEU A 41 84.417 -3.847 10.412 1.00 0.00 H new ATOM 0 HD13 LEU A 41 83.859 -4.876 9.072 1.00 0.00 H new ATOM 0 HD21 LEU A 41 85.675 -3.680 6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.939 -4.027 6.726 1.00 0.00 H new ATOM 0 HD23 LEU A 41 84.560 -2.393 6.391 1.00 0.00 H new ATOM 611 N PHE A 42 82.350 0.704 9.028 1.00 0.00 N ATOM 612 CA PHE A 42 82.590 2.124 8.707 1.00 0.00 C ATOM 613 C PHE A 42 82.338 2.962 9.957 1.00 0.00 C ATOM 614 O PHE A 42 82.842 4.059 10.099 1.00 0.00 O ATOM 615 CB PHE A 42 81.569 2.438 7.624 1.00 0.00 C ATOM 616 CG PHE A 42 82.019 1.827 6.318 1.00 0.00 C ATOM 617 CD1 PHE A 42 82.171 0.440 6.210 1.00 0.00 C ATOM 618 CD2 PHE A 42 82.290 2.648 5.217 1.00 0.00 C ATOM 619 CE1 PHE A 42 82.592 -0.128 5.002 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.711 2.081 4.008 1.00 0.00 C ATOM 621 CZ PHE A 42 82.862 0.692 3.901 1.00 0.00 C ATOM 0 H PHE A 42 81.423 0.356 8.784 1.00 0.00 H new ATOM 0 HA PHE A 42 83.607 2.335 8.376 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.592 2.045 7.905 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.459 3.517 7.515 1.00 0.00 H new ATOM 0 HD1 PHE A 42 81.963 -0.193 7.060 1.00 0.00 H new ATOM 0 HD2 PHE A 42 82.174 3.719 5.300 1.00 0.00 H new ATOM 0 HE1 PHE A 42 82.708 -1.199 4.920 1.00 0.00 H new ATOM 0 HE2 PHE A 42 82.919 2.714 3.158 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.187 0.254 2.969 1.00 0.00 H new ATOM 631 N ALA A 43 81.575 2.437 10.878 1.00 0.00 N ATOM 632 CA ALA A 43 81.305 3.190 12.135 1.00 0.00 C ATOM 633 C ALA A 43 82.505 3.042 13.068 1.00 0.00 C ATOM 634 O ALA A 43 82.727 3.844 13.953 1.00 0.00 O ATOM 635 CB ALA A 43 80.064 2.534 12.740 1.00 0.00 C ATOM 0 H ALA A 43 81.129 1.522 10.814 1.00 0.00 H new ATOM 0 HA ALA A 43 81.145 4.255 11.967 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.804 3.037 13.671 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.232 2.614 12.040 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.269 1.483 12.941 1.00 0.00 H new ATOM 641 N LYS A 44 83.286 2.018 12.861 1.00 0.00 N ATOM 642 CA LYS A 44 84.487 1.803 13.713 1.00 0.00 C ATOM 643 C LYS A 44 85.737 2.253 12.954 1.00 0.00 C ATOM 644 O LYS A 44 86.766 2.526 13.537 1.00 0.00 O ATOM 645 CB LYS A 44 84.524 0.296 13.972 1.00 0.00 C ATOM 646 CG LYS A 44 84.728 0.040 15.466 1.00 0.00 C ATOM 647 CD LYS A 44 83.886 -1.161 15.899 1.00 0.00 C ATOM 648 CE LYS A 44 84.641 -2.454 15.583 1.00 0.00 C ATOM 649 NZ LYS A 44 83.594 -3.513 15.557 1.00 0.00 N ATOM 0 H LYS A 44 83.142 1.317 12.134 1.00 0.00 H new ATOM 0 HA LYS A 44 84.452 2.369 14.644 1.00 0.00 H new ATOM 0 HB2 LYS A 44 83.594 -0.164 13.637 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.331 -0.162 13.400 1.00 0.00 H new ATOM 0 HG2 LYS A 44 85.782 -0.148 15.673 1.00 0.00 H new ATOM 0 HG3 LYS A 44 84.443 0.922 16.039 1.00 0.00 H new ATOM 0 HD2 LYS A 44 83.673 -1.103 16.966 1.00 0.00 H new ATOM 0 HD3 LYS A 44 82.927 -1.152 15.381 1.00 0.00 H new ATOM 0 HE2 LYS A 44 85.158 -2.386 14.626 1.00 0.00 H new ATOM 0 HE3 LYS A 44 85.397 -2.665 16.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 84.034 -4.431 15.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 83.124 -3.559 16.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 82.892 -3.289 14.823 1.00 0.00 H new ATOM 663 N ASN A 45 85.648 2.335 11.653 1.00 0.00 N ATOM 664 CA ASN A 45 86.822 2.772 10.850 1.00 0.00 C ATOM 665 C ASN A 45 86.905 4.299 10.843 1.00 0.00 C ATOM 666 O ASN A 45 87.948 4.862 10.577 1.00 0.00 O ATOM 667 CB ASN A 45 86.549 2.244 9.442 1.00 0.00 C ATOM 668 CG ASN A 45 87.216 0.878 9.270 1.00 0.00 C ATOM 669 OD1 ASN A 45 88.140 0.733 8.496 1.00 0.00 O ATOM 670 ND2 ASN A 45 86.781 -0.138 9.965 1.00 0.00 N ATOM 0 H ASN A 45 84.811 2.117 11.113 1.00 0.00 H new ATOM 0 HA ASN A 45 87.766 2.401 11.249 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.475 2.159 9.276 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.932 2.944 8.699 1.00 0.00 H new ATOM 0 HD21 ASN A 45 87.217 -1.054 9.858 1.00 0.00 H new ATOM 0 HD22 ASN A 45 86.005 -0.016 10.615 1.00 0.00 H new ATOM 677 N ASP A 46 85.793 4.954 11.121 1.00 0.00 N ATOM 678 CA ASP A 46 85.715 6.455 11.142 1.00 0.00 C ATOM 679 C ASP A 46 85.137 6.936 9.822 1.00 0.00 C ATOM 680 O ASP A 46 85.422 8.021 9.354 1.00 0.00 O ATOM 681 CB ASP A 46 87.129 7.006 11.357 1.00 0.00 C ATOM 682 CG ASP A 46 87.044 8.444 11.875 1.00 0.00 C ATOM 683 OD1 ASP A 46 86.837 8.613 13.066 1.00 0.00 O ATOM 684 OD2 ASP A 46 87.188 9.352 11.072 1.00 0.00 O ATOM 0 H ASP A 46 84.910 4.492 11.341 1.00 0.00 H new ATOM 0 HA ASP A 46 85.070 6.805 11.948 1.00 0.00 H new ATOM 0 HB2 ASP A 46 87.669 6.383 12.070 1.00 0.00 H new ATOM 0 HB3 ASP A 46 87.688 6.978 10.422 1.00 0.00 H new ATOM 689 N LEU A 47 84.310 6.129 9.229 1.00 0.00 N ATOM 690 CA LEU A 47 83.681 6.513 7.944 1.00 0.00 C ATOM 691 C LEU A 47 82.351 7.214 8.228 1.00 0.00 C ATOM 692 O LEU A 47 82.208 7.922 9.206 1.00 0.00 O ATOM 693 CB LEU A 47 83.468 5.190 7.200 1.00 0.00 C ATOM 694 CG LEU A 47 84.127 5.267 5.823 1.00 0.00 C ATOM 695 CD1 LEU A 47 83.572 6.470 5.058 1.00 0.00 C ATOM 696 CD2 LEU A 47 85.640 5.425 5.994 1.00 0.00 C ATOM 0 H LEU A 47 84.041 5.211 9.584 1.00 0.00 H new ATOM 0 HA LEU A 47 84.286 7.202 7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.893 4.366 7.773 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.402 4.988 7.094 1.00 0.00 H new ATOM 0 HG LEU A 47 83.916 4.354 5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 47 84.042 6.525 4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 47 82.494 6.360 4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 47 83.784 7.384 5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 47 86.113 5.480 5.014 1.00 0.00 H new ATOM 0 HD22 LEU A 47 85.850 6.339 6.550 1.00 0.00 H new ATOM 0 HD23 LEU A 47 86.036 4.569 6.540 1.00 0.00 H new ATOM 708 N ALA A 48 81.381 7.021 7.390 1.00 0.00 N ATOM 709 CA ALA A 48 80.058 7.667 7.611 1.00 0.00 C ATOM 710 C ALA A 48 79.086 7.223 6.522 1.00 0.00 C ATOM 711 O ALA A 48 78.581 8.021 5.757 1.00 0.00 O ATOM 712 CB ALA A 48 80.325 9.170 7.525 1.00 0.00 C ATOM 0 H ALA A 48 81.444 6.440 6.554 1.00 0.00 H new ATOM 0 HA ALA A 48 79.613 7.398 8.569 1.00 0.00 H new ATOM 0 HB1 ALA A 48 79.393 9.714 7.678 1.00 0.00 H new ATOM 0 HB2 ALA A 48 81.043 9.456 8.293 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.729 9.412 6.542 1.00 0.00 H new ATOM 718 N VAL A 49 78.829 5.951 6.449 1.00 0.00 N ATOM 719 CA VAL A 49 77.905 5.429 5.423 1.00 0.00 C ATOM 720 C VAL A 49 76.506 5.990 5.637 1.00 0.00 C ATOM 721 O VAL A 49 75.856 5.738 6.633 1.00 0.00 O ATOM 722 CB VAL A 49 77.923 3.919 5.623 1.00 0.00 C ATOM 723 CG1 VAL A 49 79.281 3.361 5.192 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.683 3.595 7.099 1.00 0.00 C ATOM 0 H VAL A 49 79.228 5.245 7.067 1.00 0.00 H new ATOM 0 HA VAL A 49 78.199 5.710 4.412 1.00 0.00 H new ATOM 0 HB VAL A 49 77.137 3.465 5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.293 2.281 5.336 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.451 3.589 4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.068 3.815 5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.696 2.514 7.241 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.468 4.050 7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.714 3.990 7.405 1.00 0.00 H new ATOM 734 N VAL A 50 76.051 6.756 4.700 1.00 0.00 N ATOM 735 CA VAL A 50 74.698 7.368 4.804 1.00 0.00 C ATOM 736 C VAL A 50 73.623 6.370 4.367 1.00 0.00 C ATOM 737 O VAL A 50 72.474 6.479 4.746 1.00 0.00 O ATOM 738 CB VAL A 50 74.755 8.560 3.852 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.504 9.422 4.016 1.00 0.00 C ATOM 740 CG2 VAL A 50 75.982 9.400 4.188 1.00 0.00 C ATOM 0 H VAL A 50 76.563 6.992 3.850 1.00 0.00 H new ATOM 0 HA VAL A 50 74.444 7.662 5.823 1.00 0.00 H new ATOM 0 HB VAL A 50 74.810 8.199 2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.554 10.270 3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.619 8.826 3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 50 73.445 9.786 5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.033 10.255 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 50 75.911 9.753 5.217 1.00 0.00 H new ATOM 0 HG23 VAL A 50 76.880 8.794 4.074 1.00 0.00 H new ATOM 750 N ASP A 51 73.982 5.395 3.575 1.00 0.00 N ATOM 751 CA ASP A 51 72.965 4.396 3.129 1.00 0.00 C ATOM 752 C ASP A 51 73.636 3.077 2.746 1.00 0.00 C ATOM 753 O ASP A 51 74.798 3.035 2.395 1.00 0.00 O ATOM 754 CB ASP A 51 72.291 5.026 1.910 1.00 0.00 C ATOM 755 CG ASP A 51 70.788 5.147 2.163 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.409 5.257 3.318 1.00 0.00 O ATOM 757 OD2 ASP A 51 70.041 5.126 1.200 1.00 0.00 O ATOM 0 H ASP A 51 74.927 5.247 3.220 1.00 0.00 H new ATOM 0 HA ASP A 51 72.250 4.166 3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.718 6.010 1.713 1.00 0.00 H new ATOM 0 HB3 ASP A 51 72.474 4.417 1.025 1.00 0.00 H new ATOM 762 N VAL A 52 72.905 1.997 2.810 1.00 0.00 N ATOM 763 CA VAL A 52 73.486 0.670 2.449 1.00 0.00 C ATOM 764 C VAL A 52 72.380 -0.268 1.953 1.00 0.00 C ATOM 765 O VAL A 52 71.371 -0.451 2.606 1.00 0.00 O ATOM 766 CB VAL A 52 74.103 0.131 3.743 1.00 0.00 C ATOM 767 CG1 VAL A 52 75.075 -1.001 3.410 1.00 0.00 C ATOM 768 CG2 VAL A 52 74.860 1.249 4.463 1.00 0.00 C ATOM 0 H VAL A 52 71.927 1.976 3.098 1.00 0.00 H new ATOM 0 HA VAL A 52 74.225 0.748 1.652 1.00 0.00 H new ATOM 0 HB VAL A 52 73.309 -0.242 4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 52 75.515 -1.385 4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 52 74.539 -1.803 2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.865 -0.623 2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.296 0.859 5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 52 75.652 1.627 3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 52 74.171 2.059 4.703 1.00 0.00 H new ATOM 778 N ARG A 53 72.559 -0.863 0.805 1.00 0.00 N ATOM 779 CA ARG A 53 71.514 -1.786 0.273 1.00 0.00 C ATOM 780 C ARG A 53 72.142 -3.126 -0.115 1.00 0.00 C ATOM 781 O ARG A 53 73.337 -3.319 0.001 1.00 0.00 O ATOM 782 CB ARG A 53 70.954 -1.080 -0.962 1.00 0.00 C ATOM 783 CG ARG A 53 69.447 -0.878 -0.797 1.00 0.00 C ATOM 784 CD ARG A 53 68.929 0.048 -1.900 1.00 0.00 C ATOM 785 NE ARG A 53 68.698 -0.842 -3.072 1.00 0.00 N ATOM 786 CZ ARG A 53 68.357 -0.331 -4.222 1.00 0.00 C ATOM 787 NH1 ARG A 53 69.265 0.197 -4.996 1.00 0.00 N ATOM 788 NH2 ARG A 53 67.108 -0.349 -4.600 1.00 0.00 N ATOM 0 H ARG A 53 73.382 -0.751 0.213 1.00 0.00 H new ATOM 0 HA ARG A 53 70.738 -1.999 1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 53 71.447 -0.118 -1.099 1.00 0.00 H new ATOM 0 HB3 ARG A 53 71.156 -1.672 -1.855 1.00 0.00 H new ATOM 0 HG2 ARG A 53 68.934 -1.839 -0.844 1.00 0.00 H new ATOM 0 HG3 ARG A 53 69.232 -0.450 0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 53 68.009 0.548 -1.596 1.00 0.00 H new ATOM 0 HD3 ARG A 53 69.654 0.828 -2.133 1.00 0.00 H new ATOM 0 HE ARG A 53 68.807 -1.852 -2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 53 70.241 0.210 -4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 53 68.998 0.597 -5.896 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.398 -0.763 -3.996 1.00 0.00 H new ATOM 0 HH22 ARG A 53 66.842 0.051 -5.500 1.00 0.00 H new ATOM 802 N THR A 54 71.349 -4.057 -0.575 1.00 0.00 N ATOM 803 CA THR A 54 71.911 -5.380 -0.967 1.00 0.00 C ATOM 804 C THR A 54 71.084 -6.007 -2.092 1.00 0.00 C ATOM 805 O THR A 54 69.900 -5.767 -2.213 1.00 0.00 O ATOM 806 CB THR A 54 71.832 -6.243 0.290 1.00 0.00 C ATOM 807 OG1 THR A 54 71.556 -5.421 1.415 1.00 0.00 O ATOM 808 CG2 THR A 54 73.165 -6.966 0.493 1.00 0.00 C ATOM 0 H THR A 54 70.341 -3.958 -0.695 1.00 0.00 H new ATOM 0 HA THR A 54 72.932 -5.288 -1.337 1.00 0.00 H new ATOM 0 HB THR A 54 71.035 -6.978 0.179 1.00 0.00 H new ATOM 0 HG1 THR A 54 70.645 -5.595 1.731 1.00 0.00 H new ATOM 0 HG21 THR A 54 73.111 -7.583 1.390 1.00 0.00 H new ATOM 0 HG22 THR A 54 73.371 -7.598 -0.371 1.00 0.00 H new ATOM 0 HG23 THR A 54 73.963 -6.232 0.604 1.00 0.00 H new ATOM 816 N GLY A 55 71.702 -6.813 -2.910 1.00 0.00 N ATOM 817 CA GLY A 55 70.957 -7.463 -4.024 1.00 0.00 C ATOM 818 C GLY A 55 71.863 -8.483 -4.719 1.00 0.00 C ATOM 819 O GLY A 55 72.856 -8.922 -4.171 1.00 0.00 O ATOM 0 H GLY A 55 72.693 -7.050 -2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 55 70.064 -7.956 -3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 55 70.623 -6.711 -4.739 1.00 0.00 H new ATOM 823 N THR A 56 71.527 -8.860 -5.922 1.00 0.00 N ATOM 824 CA THR A 56 72.364 -9.848 -6.664 1.00 0.00 C ATOM 825 C THR A 56 72.507 -11.149 -5.865 1.00 0.00 C ATOM 826 O THR A 56 73.470 -11.347 -5.151 1.00 0.00 O ATOM 827 CB THR A 56 73.724 -9.168 -6.831 1.00 0.00 C ATOM 828 OG1 THR A 56 73.629 -8.167 -7.835 1.00 0.00 O ATOM 829 CG2 THR A 56 74.769 -10.207 -7.240 1.00 0.00 C ATOM 0 H THR A 56 70.706 -8.526 -6.426 1.00 0.00 H new ATOM 0 HA THR A 56 71.920 -10.120 -7.622 1.00 0.00 H new ATOM 0 HB THR A 56 74.021 -8.710 -5.887 1.00 0.00 H new ATOM 0 HG1 THR A 56 73.928 -7.308 -7.470 1.00 0.00 H new ATOM 0 HG21 THR A 56 75.738 -9.722 -7.359 1.00 0.00 H new ATOM 0 HG22 THR A 56 74.840 -10.975 -6.469 1.00 0.00 H new ATOM 0 HG23 THR A 56 74.475 -10.666 -8.184 1.00 0.00 H new ATOM 837 N ASN A 57 71.560 -12.039 -5.994 1.00 0.00 N ATOM 838 CA ASN A 57 71.635 -13.336 -5.258 1.00 0.00 C ATOM 839 C ASN A 57 72.177 -13.130 -3.839 1.00 0.00 C ATOM 840 O ASN A 57 73.067 -13.833 -3.402 1.00 0.00 O ATOM 841 CB ASN A 57 72.599 -14.196 -6.077 1.00 0.00 C ATOM 842 CG ASN A 57 71.854 -15.411 -6.633 1.00 0.00 C ATOM 843 OD1 ASN A 57 70.661 -15.545 -6.447 1.00 0.00 O ATOM 844 ND2 ASN A 57 72.513 -16.309 -7.312 1.00 0.00 N ATOM 0 H ASN A 57 70.733 -11.924 -6.580 1.00 0.00 H new ATOM 0 HA ASN A 57 70.654 -13.799 -5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 57 73.021 -13.610 -6.894 1.00 0.00 H new ATOM 0 HB3 ASN A 57 73.432 -14.521 -5.454 1.00 0.00 H new ATOM 0 HD21 ASN A 57 72.027 -17.124 -7.687 1.00 0.00 H new ATOM 0 HD22 ASN A 57 73.515 -16.197 -7.468 1.00 0.00 H new ATOM 851 N ARG A 58 71.643 -12.178 -3.122 1.00 0.00 N ATOM 852 CA ARG A 58 72.115 -11.923 -1.726 1.00 0.00 C ATOM 853 C ARG A 58 73.630 -12.116 -1.615 1.00 0.00 C ATOM 854 O ARG A 58 74.133 -12.580 -0.612 1.00 0.00 O ATOM 855 CB ARG A 58 71.381 -12.951 -0.863 1.00 0.00 C ATOM 856 CG ARG A 58 71.906 -14.354 -1.174 1.00 0.00 C ATOM 857 CD ARG A 58 71.364 -15.343 -0.140 1.00 0.00 C ATOM 858 NE ARG A 58 71.593 -14.688 1.177 1.00 0.00 N ATOM 859 CZ ARG A 58 70.609 -14.565 2.025 1.00 0.00 C ATOM 860 NH1 ARG A 58 69.705 -13.642 1.844 1.00 0.00 N ATOM 861 NH2 ARG A 58 70.527 -15.365 3.052 1.00 0.00 N ATOM 0 H ARG A 58 70.896 -11.562 -3.443 1.00 0.00 H new ATOM 0 HA ARG A 58 71.910 -10.899 -1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 58 71.526 -12.724 0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 58 70.309 -12.902 -1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 58 71.599 -14.655 -2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 58 72.996 -14.357 -1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 58 70.305 -15.543 -0.302 1.00 0.00 H new ATOM 0 HD3 ARG A 58 71.882 -16.300 -0.200 1.00 0.00 H new ATOM 0 HE ARG A 58 72.520 -14.335 1.417 1.00 0.00 H new ATOM 0 HH11 ARG A 58 69.768 -13.017 1.040 1.00 0.00 H new ATOM 0 HH12 ARG A 58 68.935 -13.545 2.506 1.00 0.00 H new ATOM 0 HH21 ARG A 58 71.233 -16.088 3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 58 69.757 -15.268 3.714 1.00 0.00 H new ATOM 875 N LYS A 59 74.363 -11.762 -2.636 1.00 0.00 N ATOM 876 CA LYS A 59 75.843 -11.928 -2.575 1.00 0.00 C ATOM 877 C LYS A 59 76.535 -10.580 -2.789 1.00 0.00 C ATOM 878 O LYS A 59 77.686 -10.399 -2.442 1.00 0.00 O ATOM 879 CB LYS A 59 76.184 -12.897 -3.708 1.00 0.00 C ATOM 880 CG LYS A 59 77.690 -12.862 -3.974 1.00 0.00 C ATOM 881 CD LYS A 59 78.130 -14.186 -4.602 1.00 0.00 C ATOM 882 CE LYS A 59 79.643 -14.164 -4.834 1.00 0.00 C ATOM 883 NZ LYS A 59 79.848 -14.901 -6.112 1.00 0.00 N ATOM 0 H LYS A 59 74.003 -11.367 -3.505 1.00 0.00 H new ATOM 0 HA LYS A 59 76.176 -12.304 -1.608 1.00 0.00 H new ATOM 0 HB2 LYS A 59 75.874 -13.908 -3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 59 75.638 -12.624 -4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 59 77.933 -12.034 -4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.230 -12.692 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 59 77.864 -15.017 -3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 59 77.609 -14.344 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 59 80.017 -13.142 -4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 59 80.175 -14.643 -4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 80.863 -14.928 -6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 79.489 -15.872 -6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 79.336 -14.418 -6.877 1.00 0.00 H new ATOM 897 N PHE A 60 75.841 -9.631 -3.353 1.00 0.00 N ATOM 898 CA PHE A 60 76.455 -8.292 -3.583 1.00 0.00 C ATOM 899 C PHE A 60 75.582 -7.217 -2.926 1.00 0.00 C ATOM 900 O PHE A 60 74.485 -7.488 -2.478 1.00 0.00 O ATOM 901 CB PHE A 60 76.508 -8.143 -5.116 1.00 0.00 C ATOM 902 CG PHE A 60 76.105 -6.747 -5.543 1.00 0.00 C ATOM 903 CD1 PHE A 60 74.765 -6.348 -5.464 1.00 0.00 C ATOM 904 CD2 PHE A 60 77.073 -5.855 -6.018 1.00 0.00 C ATOM 905 CE1 PHE A 60 74.394 -5.058 -5.858 1.00 0.00 C ATOM 906 CE2 PHE A 60 76.702 -4.564 -6.411 1.00 0.00 C ATOM 907 CZ PHE A 60 75.362 -4.166 -6.331 1.00 0.00 C ATOM 0 H PHE A 60 74.874 -9.724 -3.665 1.00 0.00 H new ATOM 0 HA PHE A 60 77.450 -8.187 -3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 60 77.516 -8.358 -5.471 1.00 0.00 H new ATOM 0 HB3 PHE A 60 75.845 -8.874 -5.579 1.00 0.00 H new ATOM 0 HD1 PHE A 60 74.018 -7.037 -5.099 1.00 0.00 H new ATOM 0 HD2 PHE A 60 78.106 -6.163 -6.081 1.00 0.00 H new ATOM 0 HE1 PHE A 60 73.360 -4.751 -5.797 1.00 0.00 H new ATOM 0 HE2 PHE A 60 77.449 -3.875 -6.776 1.00 0.00 H new ATOM 0 HZ PHE A 60 75.076 -3.170 -6.635 1.00 0.00 H new ATOM 917 N GLY A 61 76.056 -6.004 -2.856 1.00 0.00 N ATOM 918 CA GLY A 61 75.235 -4.937 -2.218 1.00 0.00 C ATOM 919 C GLY A 61 75.758 -3.550 -2.591 1.00 0.00 C ATOM 920 O GLY A 61 76.792 -3.403 -3.212 1.00 0.00 O ATOM 0 H GLY A 61 76.966 -5.707 -3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.196 -5.035 -2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.253 -5.058 -1.135 1.00 0.00 H new ATOM 924 N TYR A 62 75.033 -2.533 -2.210 1.00 0.00 N ATOM 925 CA TYR A 62 75.453 -1.135 -2.526 1.00 0.00 C ATOM 926 C TYR A 62 75.604 -0.332 -1.237 1.00 0.00 C ATOM 927 O TYR A 62 75.111 -0.716 -0.195 1.00 0.00 O ATOM 928 CB TYR A 62 74.310 -0.577 -3.376 1.00 0.00 C ATOM 929 CG TYR A 62 74.855 0.354 -4.432 1.00 0.00 C ATOM 930 CD1 TYR A 62 75.326 1.622 -4.073 1.00 0.00 C ATOM 931 CD2 TYR A 62 74.881 -0.050 -5.771 1.00 0.00 C ATOM 932 CE1 TYR A 62 75.825 2.486 -5.055 1.00 0.00 C ATOM 933 CE2 TYR A 62 75.381 0.814 -6.753 1.00 0.00 C ATOM 934 CZ TYR A 62 75.852 2.082 -6.395 1.00 0.00 C ATOM 935 OH TYR A 62 76.343 2.934 -7.363 1.00 0.00 O ATOM 0 H TYR A 62 74.160 -2.611 -1.689 1.00 0.00 H new ATOM 0 HA TYR A 62 76.412 -1.088 -3.042 1.00 0.00 H new ATOM 0 HB2 TYR A 62 73.765 -1.394 -3.847 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.601 -0.045 -2.742 1.00 0.00 H new ATOM 0 HD1 TYR A 62 75.305 1.934 -3.039 1.00 0.00 H new ATOM 0 HD2 TYR A 62 74.516 -1.028 -6.047 1.00 0.00 H new ATOM 0 HE1 TYR A 62 76.189 3.464 -4.779 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.403 0.502 -7.787 1.00 0.00 H new ATOM 0 HH TYR A 62 76.291 2.498 -8.239 1.00 0.00 H new ATOM 945 N VAL A 63 76.286 0.778 -1.291 1.00 0.00 N ATOM 946 CA VAL A 63 76.463 1.588 -0.057 1.00 0.00 C ATOM 947 C VAL A 63 76.473 3.083 -0.384 1.00 0.00 C ATOM 948 O VAL A 63 76.570 3.486 -1.526 1.00 0.00 O ATOM 949 CB VAL A 63 77.806 1.130 0.515 1.00 0.00 C ATOM 950 CG1 VAL A 63 78.960 1.934 -0.092 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.799 1.311 2.027 1.00 0.00 C ATOM 0 H VAL A 63 76.725 1.156 -2.130 1.00 0.00 H new ATOM 0 HA VAL A 63 75.650 1.447 0.655 1.00 0.00 H new ATOM 0 HB VAL A 63 77.950 0.078 0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 63 79.904 1.590 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 63 78.973 1.793 -1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 63 78.825 2.992 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.755 0.985 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 63 77.641 2.362 2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 63 76.996 0.715 2.461 1.00 0.00 H new ATOM 961 N ASP A 64 76.367 3.903 0.621 1.00 0.00 N ATOM 962 CA ASP A 64 76.361 5.371 0.398 1.00 0.00 C ATOM 963 C ASP A 64 77.141 6.075 1.508 1.00 0.00 C ATOM 964 O ASP A 64 77.109 5.670 2.655 1.00 0.00 O ATOM 965 CB ASP A 64 74.893 5.758 0.462 1.00 0.00 C ATOM 966 CG ASP A 64 74.099 4.943 -0.560 1.00 0.00 C ATOM 967 OD1 ASP A 64 73.959 3.749 -0.358 1.00 0.00 O ATOM 968 OD2 ASP A 64 73.643 5.529 -1.529 1.00 0.00 O ATOM 0 H ASP A 64 76.284 3.615 1.596 1.00 0.00 H new ATOM 0 HA ASP A 64 76.826 5.652 -0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.504 5.580 1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 64 74.779 6.823 0.260 1.00 0.00 H new ATOM 973 N PHE A 65 77.837 7.127 1.179 1.00 0.00 N ATOM 974 CA PHE A 65 78.622 7.860 2.215 1.00 0.00 C ATOM 975 C PHE A 65 78.121 9.296 2.354 1.00 0.00 C ATOM 976 O PHE A 65 77.177 9.701 1.705 1.00 0.00 O ATOM 977 CB PHE A 65 80.061 7.837 1.709 1.00 0.00 C ATOM 978 CG PHE A 65 80.478 6.404 1.507 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.599 5.551 2.609 1.00 0.00 C ATOM 980 CD2 PHE A 65 80.730 5.926 0.219 1.00 0.00 C ATOM 981 CE1 PHE A 65 80.975 4.218 2.422 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.108 4.594 0.031 1.00 0.00 C ATOM 983 CZ PHE A 65 81.230 3.739 1.131 1.00 0.00 C ATOM 0 H PHE A 65 77.897 7.513 0.237 1.00 0.00 H new ATOM 0 HA PHE A 65 78.528 7.403 3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.141 8.390 0.773 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.721 8.326 2.425 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.402 5.922 3.604 1.00 0.00 H new ATOM 0 HD2 PHE A 65 80.633 6.585 -0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 65 81.069 3.558 3.272 1.00 0.00 H new ATOM 0 HE2 PHE A 65 81.306 4.225 -0.964 1.00 0.00 H new ATOM 0 HZ PHE A 65 81.521 2.709 0.985 1.00 0.00 H new ATOM 993 N GLU A 66 78.740 10.064 3.209 1.00 0.00 N ATOM 994 CA GLU A 66 78.287 11.468 3.406 1.00 0.00 C ATOM 995 C GLU A 66 79.351 12.460 2.930 1.00 0.00 C ATOM 996 O GLU A 66 79.242 13.650 3.151 1.00 0.00 O ATOM 997 CB GLU A 66 78.067 11.602 4.916 1.00 0.00 C ATOM 998 CG GLU A 66 79.414 11.579 5.642 1.00 0.00 C ATOM 999 CD GLU A 66 79.253 12.188 7.036 1.00 0.00 C ATOM 1000 OE1 GLU A 66 78.292 11.843 7.704 1.00 0.00 O ATOM 1001 OE2 GLU A 66 80.092 12.989 7.412 1.00 0.00 O ATOM 0 H GLU A 66 79.538 9.780 3.778 1.00 0.00 H new ATOM 0 HA GLU A 66 77.385 11.687 2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.542 12.532 5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 66 77.437 10.788 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 66 79.779 10.555 5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 66 80.156 12.139 5.072 1.00 0.00 H new ATOM 1008 N SER A 67 80.375 11.988 2.281 1.00 0.00 N ATOM 1009 CA SER A 67 81.436 12.927 1.802 1.00 0.00 C ATOM 1010 C SER A 67 82.393 12.269 0.822 1.00 0.00 C ATOM 1011 O SER A 67 82.358 11.078 0.571 1.00 0.00 O ATOM 1012 CB SER A 67 82.216 13.335 3.045 1.00 0.00 C ATOM 1013 OG SER A 67 82.632 12.168 3.742 1.00 0.00 O ATOM 0 H SER A 67 80.527 11.004 2.061 1.00 0.00 H new ATOM 0 HA SER A 67 80.978 13.768 1.281 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.083 13.933 2.764 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.595 13.956 3.690 1.00 0.00 H new ATOM 0 HG SER A 67 81.913 11.868 4.336 1.00 0.00 H new ATOM 1019 N ALA A 68 83.286 13.060 0.314 1.00 0.00 N ATOM 1020 CA ALA A 68 84.318 12.551 -0.618 1.00 0.00 C ATOM 1021 C ALA A 68 85.366 11.840 0.211 1.00 0.00 C ATOM 1022 O ALA A 68 86.085 10.975 -0.248 1.00 0.00 O ATOM 1023 CB ALA A 68 84.918 13.805 -1.236 1.00 0.00 C ATOM 0 H ALA A 68 83.345 14.059 0.510 1.00 0.00 H new ATOM 0 HA ALA A 68 83.935 11.866 -1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 68 85.697 13.524 -1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.139 14.363 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.348 14.427 -0.451 1.00 0.00 H new ATOM 1029 N GLU A 69 85.442 12.225 1.448 1.00 0.00 N ATOM 1030 CA GLU A 69 86.420 11.619 2.370 1.00 0.00 C ATOM 1031 C GLU A 69 85.929 10.234 2.791 1.00 0.00 C ATOM 1032 O GLU A 69 86.709 9.339 3.056 1.00 0.00 O ATOM 1033 CB GLU A 69 86.446 12.590 3.541 1.00 0.00 C ATOM 1034 CG GLU A 69 87.892 12.856 3.949 1.00 0.00 C ATOM 1035 CD GLU A 69 88.120 12.372 5.382 1.00 0.00 C ATOM 1036 OE1 GLU A 69 87.336 12.738 6.242 1.00 0.00 O ATOM 1037 OE2 GLU A 69 89.077 11.644 5.596 1.00 0.00 O ATOM 0 H GLU A 69 84.854 12.948 1.863 1.00 0.00 H new ATOM 0 HA GLU A 69 87.411 11.472 1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.957 13.524 3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 69 85.890 12.177 4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.572 12.343 3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.111 13.921 3.875 1.00 0.00 H new ATOM 1044 N ASP A 70 84.638 10.039 2.812 1.00 0.00 N ATOM 1045 CA ASP A 70 84.101 8.705 3.171 1.00 0.00 C ATOM 1046 C ASP A 70 84.145 7.840 1.924 1.00 0.00 C ATOM 1047 O ASP A 70 84.260 6.633 1.988 1.00 0.00 O ATOM 1048 CB ASP A 70 82.656 8.950 3.606 1.00 0.00 C ATOM 1049 CG ASP A 70 82.641 9.717 4.927 1.00 0.00 C ATOM 1050 OD1 ASP A 70 83.528 9.489 5.732 1.00 0.00 O ATOM 1051 OD2 ASP A 70 81.741 10.519 5.111 1.00 0.00 O ATOM 0 H ASP A 70 83.937 10.748 2.596 1.00 0.00 H new ATOM 0 HA ASP A 70 84.663 8.207 3.961 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.126 9.515 2.840 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.134 8.000 3.720 1.00 0.00 H new ATOM 1056 N LEU A 71 84.063 8.465 0.782 1.00 0.00 N ATOM 1057 CA LEU A 71 84.110 7.700 -0.486 1.00 0.00 C ATOM 1058 C LEU A 71 85.534 7.193 -0.736 1.00 0.00 C ATOM 1059 O LEU A 71 85.738 6.098 -1.222 1.00 0.00 O ATOM 1060 CB LEU A 71 83.694 8.696 -1.568 1.00 0.00 C ATOM 1061 CG LEU A 71 84.063 8.139 -2.944 1.00 0.00 C ATOM 1062 CD1 LEU A 71 82.824 8.131 -3.841 1.00 0.00 C ATOM 1063 CD2 LEU A 71 85.144 9.019 -3.575 1.00 0.00 C ATOM 0 H LEU A 71 83.965 9.475 0.677 1.00 0.00 H new ATOM 0 HA LEU A 71 83.458 6.827 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 71 82.621 8.880 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.190 9.653 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 71 84.439 7.121 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 71 83.087 7.734 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 71 82.053 7.505 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 71 82.447 9.148 -3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 71 85.408 8.624 -4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 71 84.768 10.036 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 71 86.027 9.025 -2.936 1.00 0.00 H new ATOM 1075 N GLU A 72 86.520 7.982 -0.400 1.00 0.00 N ATOM 1076 CA GLU A 72 87.932 7.550 -0.609 1.00 0.00 C ATOM 1077 C GLU A 72 88.324 6.514 0.448 1.00 0.00 C ATOM 1078 O GLU A 72 89.003 5.541 0.163 1.00 0.00 O ATOM 1079 CB GLU A 72 88.764 8.823 -0.448 1.00 0.00 C ATOM 1080 CG GLU A 72 90.218 8.536 -0.828 1.00 0.00 C ATOM 1081 CD GLU A 72 90.570 9.295 -2.108 1.00 0.00 C ATOM 1082 OE1 GLU A 72 90.446 10.509 -2.108 1.00 0.00 O ATOM 1083 OE2 GLU A 72 90.959 8.650 -3.068 1.00 0.00 O ATOM 0 H GLU A 72 86.408 8.909 0.011 1.00 0.00 H new ATOM 0 HA GLU A 72 88.085 7.086 -1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.362 9.615 -1.080 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.710 9.178 0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 72 90.883 8.838 -0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 72 90.362 7.466 -0.976 1.00 0.00 H new ATOM 1090 N LYS A 73 87.875 6.692 1.660 1.00 0.00 N ATOM 1091 CA LYS A 73 88.198 5.704 2.713 1.00 0.00 C ATOM 1092 C LYS A 73 87.307 4.500 2.487 1.00 0.00 C ATOM 1093 O LYS A 73 87.632 3.384 2.840 1.00 0.00 O ATOM 1094 CB LYS A 73 87.868 6.396 4.036 1.00 0.00 C ATOM 1095 CG LYS A 73 88.578 5.675 5.184 1.00 0.00 C ATOM 1096 CD LYS A 73 88.669 6.607 6.394 1.00 0.00 C ATOM 1097 CE LYS A 73 89.740 7.670 6.142 1.00 0.00 C ATOM 1098 NZ LYS A 73 91.023 7.025 6.537 1.00 0.00 N ATOM 0 H LYS A 73 87.300 7.479 1.961 1.00 0.00 H new ATOM 0 HA LYS A 73 89.237 5.373 2.709 1.00 0.00 H new ATOM 0 HB2 LYS A 73 88.181 7.440 4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 73 86.791 6.392 4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 73 88.034 4.769 5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 73 89.576 5.368 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 73 87.705 7.083 6.573 1.00 0.00 H new ATOM 0 HD3 LYS A 73 88.913 6.035 7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 73 89.757 7.973 5.095 1.00 0.00 H new ATOM 0 HE3 LYS A 73 89.552 8.568 6.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 91.788 7.368 5.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 91.241 7.263 7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 90.937 5.993 6.441 1.00 0.00 H new ATOM 1112 N ALA A 74 86.183 4.727 1.869 1.00 0.00 N ATOM 1113 CA ALA A 74 85.263 3.608 1.583 1.00 0.00 C ATOM 1114 C ALA A 74 85.888 2.717 0.515 1.00 0.00 C ATOM 1115 O ALA A 74 85.708 1.515 0.504 1.00 0.00 O ATOM 1116 CB ALA A 74 83.981 4.256 1.071 1.00 0.00 C ATOM 0 H ALA A 74 85.866 5.643 1.551 1.00 0.00 H new ATOM 0 HA ALA A 74 85.064 2.987 2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.250 3.482 0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.577 4.918 1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.199 4.832 0.172 1.00 0.00 H new ATOM 1122 N LEU A 75 86.651 3.300 -0.371 1.00 0.00 N ATOM 1123 CA LEU A 75 87.319 2.493 -1.421 1.00 0.00 C ATOM 1124 C LEU A 75 88.416 1.673 -0.755 1.00 0.00 C ATOM 1125 O LEU A 75 88.579 0.498 -1.014 1.00 0.00 O ATOM 1126 CB LEU A 75 87.912 3.508 -2.399 1.00 0.00 C ATOM 1127 CG LEU A 75 88.817 2.787 -3.398 1.00 0.00 C ATOM 1128 CD1 LEU A 75 88.757 3.500 -4.750 1.00 0.00 C ATOM 1129 CD2 LEU A 75 90.257 2.799 -2.880 1.00 0.00 C ATOM 0 H LEU A 75 86.838 4.302 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 75 86.646 1.809 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.113 4.030 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 75 88.481 4.262 -1.856 1.00 0.00 H new ATOM 0 HG LEU A 75 88.480 1.757 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 75 89.403 2.985 -5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 75 87.732 3.493 -5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 75 89.094 4.530 -4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 75 90.904 2.285 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 75 90.593 3.829 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 75 90.301 2.291 -1.917 1.00 0.00 H new ATOM 1141 N GLU A 76 89.152 2.288 0.130 1.00 0.00 N ATOM 1142 CA GLU A 76 90.220 1.543 0.845 1.00 0.00 C ATOM 1143 C GLU A 76 89.577 0.597 1.865 1.00 0.00 C ATOM 1144 O GLU A 76 90.228 -0.255 2.438 1.00 0.00 O ATOM 1145 CB GLU A 76 91.048 2.613 1.553 1.00 0.00 C ATOM 1146 CG GLU A 76 92.452 2.662 0.947 1.00 0.00 C ATOM 1147 CD GLU A 76 92.821 4.111 0.627 1.00 0.00 C ATOM 1148 OE1 GLU A 76 92.202 4.998 1.192 1.00 0.00 O ATOM 1149 OE2 GLU A 76 93.717 4.311 -0.177 1.00 0.00 O ATOM 0 H GLU A 76 89.059 3.271 0.386 1.00 0.00 H new ATOM 0 HA GLU A 76 90.835 0.940 0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 76 90.565 3.585 1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.109 2.394 2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.175 2.237 1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 76 92.489 2.058 0.041 1.00 0.00 H new ATOM 1156 N LEU A 77 88.296 0.747 2.090 1.00 0.00 N ATOM 1157 CA LEU A 77 87.590 -0.132 3.067 1.00 0.00 C ATOM 1158 C LEU A 77 87.424 -1.547 2.500 1.00 0.00 C ATOM 1159 O LEU A 77 86.841 -2.409 3.124 1.00 0.00 O ATOM 1160 CB LEU A 77 86.219 0.523 3.257 1.00 0.00 C ATOM 1161 CG LEU A 77 86.089 1.053 4.686 1.00 0.00 C ATOM 1162 CD1 LEU A 77 86.148 -0.114 5.671 1.00 0.00 C ATOM 1163 CD2 LEU A 77 87.234 2.025 4.974 1.00 0.00 C ATOM 0 H LEU A 77 87.707 1.445 1.636 1.00 0.00 H new ATOM 0 HA LEU A 77 88.141 -0.230 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.094 1.338 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 77 85.429 -0.201 3.055 1.00 0.00 H new ATOM 0 HG LEU A 77 85.136 1.571 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 77 86.055 0.264 6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 77 85.331 -0.806 5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 77 87.100 -0.634 5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 77 87.143 2.404 5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 77 88.187 1.508 4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 77 87.190 2.858 4.272 1.00 0.00 H new ATOM 1175 N THR A 78 87.928 -1.793 1.319 1.00 0.00 N ATOM 1176 CA THR A 78 87.789 -3.153 0.721 1.00 0.00 C ATOM 1177 C THR A 78 88.802 -4.119 1.328 1.00 0.00 C ATOM 1178 O THR A 78 88.931 -5.251 0.908 1.00 0.00 O ATOM 1179 CB THR A 78 88.064 -2.961 -0.769 1.00 0.00 C ATOM 1180 OG1 THR A 78 87.306 -1.860 -1.251 1.00 0.00 O ATOM 1181 CG2 THR A 78 87.676 -4.228 -1.532 1.00 0.00 C ATOM 0 H THR A 78 88.428 -1.114 0.745 1.00 0.00 H new ATOM 0 HA THR A 78 86.803 -3.578 0.907 1.00 0.00 H new ATOM 0 HB THR A 78 89.125 -2.764 -0.920 1.00 0.00 H new ATOM 0 HG1 THR A 78 87.833 -1.038 -1.166 1.00 0.00 H new ATOM 0 HG21 THR A 78 87.873 -4.088 -2.595 1.00 0.00 H new ATOM 0 HG22 THR A 78 88.262 -5.069 -1.162 1.00 0.00 H new ATOM 0 HG23 THR A 78 86.615 -4.432 -1.384 1.00 0.00 H new ATOM 1189 N GLY A 79 89.515 -3.677 2.314 1.00 0.00 N ATOM 1190 CA GLY A 79 90.524 -4.562 2.963 1.00 0.00 C ATOM 1191 C GLY A 79 89.959 -5.107 4.276 1.00 0.00 C ATOM 1192 O GLY A 79 90.693 -5.465 5.175 1.00 0.00 O ATOM 0 H GLY A 79 89.447 -2.737 2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.783 -5.385 2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.442 -4.006 3.153 1.00 0.00 H new ATOM 1196 N LEU A 80 88.659 -5.165 4.400 1.00 0.00 N ATOM 1197 CA LEU A 80 88.054 -5.679 5.658 1.00 0.00 C ATOM 1198 C LEU A 80 87.055 -6.791 5.364 1.00 0.00 C ATOM 1199 O LEU A 80 86.152 -6.640 4.566 1.00 0.00 O ATOM 1200 CB LEU A 80 87.342 -4.476 6.259 1.00 0.00 C ATOM 1201 CG LEU A 80 88.236 -3.823 7.312 1.00 0.00 C ATOM 1202 CD1 LEU A 80 87.750 -2.398 7.583 1.00 0.00 C ATOM 1203 CD2 LEU A 80 88.176 -4.636 8.608 1.00 0.00 C ATOM 0 H LEU A 80 87.992 -4.878 3.683 1.00 0.00 H new ATOM 0 HA LEU A 80 88.801 -6.102 6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 80 87.099 -3.757 5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 80 86.400 -4.787 6.710 1.00 0.00 H new ATOM 0 HG LEU A 80 89.263 -3.794 6.947 1.00 0.00 H new ATOM 0 HD11 LEU A 80 88.388 -1.933 8.334 1.00 0.00 H new ATOM 0 HD12 LEU A 80 87.792 -1.818 6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 80 86.723 -2.427 7.947 1.00 0.00 H new ATOM 0 HD21 LEU A 80 88.814 -4.170 9.359 1.00 0.00 H new ATOM 0 HD22 LEU A 80 87.149 -4.666 8.972 1.00 0.00 H new ATOM 0 HD23 LEU A 80 88.523 -5.652 8.417 1.00 0.00 H new ATOM 1215 N LYS A 81 87.206 -7.903 6.021 1.00 0.00 N ATOM 1216 CA LYS A 81 86.261 -9.032 5.802 1.00 0.00 C ATOM 1217 C LYS A 81 85.037 -8.852 6.675 1.00 0.00 C ATOM 1218 O LYS A 81 84.930 -9.405 7.749 1.00 0.00 O ATOM 1219 CB LYS A 81 86.990 -10.272 6.236 1.00 0.00 C ATOM 1220 CG LYS A 81 87.865 -10.793 5.100 1.00 0.00 C ATOM 1221 CD LYS A 81 89.038 -11.581 5.681 1.00 0.00 C ATOM 1222 CE LYS A 81 90.198 -10.627 5.979 1.00 0.00 C ATOM 1223 NZ LYS A 81 91.321 -11.510 6.399 1.00 0.00 N ATOM 0 H LYS A 81 87.944 -8.081 6.702 1.00 0.00 H new ATOM 0 HA LYS A 81 85.941 -9.085 4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.606 -10.054 7.109 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.274 -11.038 6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 81 87.278 -11.429 4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 81 88.234 -9.961 4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 81 88.730 -12.092 6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 81 89.357 -12.350 4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 81 90.464 -10.041 5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 81 89.936 -9.920 6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 92.155 -10.929 6.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 91.041 -12.050 7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 91.553 -12.168 5.628 1.00 0.00 H new ATOM 1237 N VAL A 82 84.137 -8.080 6.198 1.00 0.00 N ATOM 1238 CA VAL A 82 82.867 -7.801 6.939 1.00 0.00 C ATOM 1239 C VAL A 82 82.438 -9.011 7.769 1.00 0.00 C ATOM 1240 O VAL A 82 82.920 -9.234 8.862 1.00 0.00 O ATOM 1241 CB VAL A 82 81.844 -7.480 5.847 1.00 0.00 C ATOM 1242 CG1 VAL A 82 80.453 -7.345 6.469 1.00 0.00 C ATOM 1243 CG2 VAL A 82 82.226 -6.161 5.172 1.00 0.00 C ATOM 0 H VAL A 82 84.212 -7.606 5.298 1.00 0.00 H new ATOM 0 HA VAL A 82 82.974 -6.981 7.649 1.00 0.00 H new ATOM 0 HB VAL A 82 81.834 -8.283 5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 82 79.726 -7.116 5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 82 80.180 -8.281 6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 82 80.460 -6.541 7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 82 81.500 -5.927 4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 82 82.233 -5.362 5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 82 83.217 -6.253 4.729 1.00 0.00 H new ATOM 1253 N PHE A 83 81.535 -9.783 7.265 1.00 0.00 N ATOM 1254 CA PHE A 83 81.065 -10.979 8.021 1.00 0.00 C ATOM 1255 C PHE A 83 81.987 -12.178 7.765 1.00 0.00 C ATOM 1256 O PHE A 83 81.592 -13.316 7.923 1.00 0.00 O ATOM 1257 CB PHE A 83 79.661 -11.261 7.488 1.00 0.00 C ATOM 1258 CG PHE A 83 78.661 -11.141 8.614 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.067 -9.904 8.894 1.00 0.00 C ATOM 1260 CD2 PHE A 83 78.331 -12.266 9.379 1.00 0.00 C ATOM 1261 CE1 PHE A 83 77.142 -9.794 9.938 1.00 0.00 C ATOM 1262 CE2 PHE A 83 77.405 -12.154 10.424 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.810 -10.918 10.703 1.00 0.00 C ATOM 0 H PHE A 83 81.093 -9.644 6.356 1.00 0.00 H new ATOM 0 HA PHE A 83 81.068 -10.806 9.097 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.415 -10.558 6.692 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.619 -12.260 7.055 1.00 0.00 H new ATOM 0 HD1 PHE A 83 78.323 -9.036 8.305 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.790 -13.220 9.164 1.00 0.00 H new ATOM 0 HE1 PHE A 83 76.683 -8.840 10.154 1.00 0.00 H new ATOM 0 HE2 PHE A 83 77.150 -13.021 11.015 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.095 -10.832 11.508 1.00 0.00 H new ATOM 1273 N GLY A 84 83.211 -11.937 7.372 1.00 0.00 N ATOM 1274 CA GLY A 84 84.143 -13.072 7.111 1.00 0.00 C ATOM 1275 C GLY A 84 84.525 -13.086 5.632 1.00 0.00 C ATOM 1276 O GLY A 84 84.960 -14.087 5.100 1.00 0.00 O ATOM 0 H GLY A 84 83.603 -11.008 7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.036 -12.972 7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 84 83.670 -14.015 7.385 1.00 0.00 H new ATOM 1280 N ASN A 85 84.366 -11.978 4.964 1.00 0.00 N ATOM 1281 CA ASN A 85 84.720 -11.920 3.519 1.00 0.00 C ATOM 1282 C ASN A 85 85.050 -10.479 3.136 1.00 0.00 C ATOM 1283 O ASN A 85 84.211 -9.604 3.210 1.00 0.00 O ATOM 1284 CB ASN A 85 83.472 -12.402 2.780 1.00 0.00 C ATOM 1285 CG ASN A 85 83.085 -13.793 3.287 1.00 0.00 C ATOM 1286 OD1 ASN A 85 83.835 -14.737 3.137 1.00 0.00 O ATOM 1287 ND2 ASN A 85 81.938 -13.958 3.886 1.00 0.00 N ATOM 0 H ASN A 85 84.006 -11.109 5.357 1.00 0.00 H new ATOM 0 HA ASN A 85 85.589 -12.531 3.274 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.650 -11.704 2.938 1.00 0.00 H new ATOM 0 HB3 ASN A 85 83.661 -12.434 1.707 1.00 0.00 H new ATOM 0 HD21 ASN A 85 81.670 -14.880 4.229 1.00 0.00 H new ATOM 0 HD22 ASN A 85 81.309 -13.165 4.011 1.00 0.00 H new ATOM 1294 N GLU A 86 86.267 -10.220 2.743 1.00 0.00 N ATOM 1295 CA GLU A 86 86.640 -8.827 2.371 1.00 0.00 C ATOM 1296 C GLU A 86 85.701 -8.303 1.286 1.00 0.00 C ATOM 1297 O GLU A 86 85.992 -8.376 0.109 1.00 0.00 O ATOM 1298 CB GLU A 86 88.075 -8.919 1.854 1.00 0.00 C ATOM 1299 CG GLU A 86 88.107 -9.750 0.571 1.00 0.00 C ATOM 1300 CD GLU A 86 89.277 -10.734 0.628 1.00 0.00 C ATOM 1301 OE1 GLU A 86 90.365 -10.309 0.982 1.00 0.00 O ATOM 1302 OE2 GLU A 86 89.066 -11.894 0.317 1.00 0.00 O ATOM 0 H GLU A 86 87.015 -10.909 2.664 1.00 0.00 H new ATOM 0 HA GLU A 86 86.562 -8.139 3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.468 -7.920 1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 86 88.716 -9.374 2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 86 87.168 -10.291 0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 86 88.210 -9.097 -0.295 1.00 0.00 H new ATOM 1309 N ILE A 87 84.572 -7.780 1.678 1.00 0.00 N ATOM 1310 CA ILE A 87 83.604 -7.252 0.679 1.00 0.00 C ATOM 1311 C ILE A 87 84.346 -6.498 -0.423 1.00 0.00 C ATOM 1312 O ILE A 87 85.178 -5.653 -0.161 1.00 0.00 O ATOM 1313 CB ILE A 87 82.699 -6.300 1.459 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.559 -5.304 2.240 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.834 -7.102 2.434 1.00 0.00 C ATOM 1316 CD1 ILE A 87 82.663 -4.218 2.837 1.00 0.00 C ATOM 0 H ILE A 87 84.278 -7.696 2.651 1.00 0.00 H new ATOM 0 HA ILE A 87 83.036 -8.048 0.198 1.00 0.00 H new ATOM 0 HB ILE A 87 82.056 -5.759 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 87 84.102 -5.819 3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.304 -4.856 1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 87 81.188 -6.423 2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 87 81.221 -7.811 1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 87 82.476 -7.644 3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.274 -3.508 3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 87 82.140 -3.697 2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 87 81.935 -4.675 3.508 1.00 0.00 H new ATOM 1328 N LYS A 88 84.053 -6.801 -1.653 1.00 0.00 N ATOM 1329 CA LYS A 88 84.742 -6.106 -2.775 1.00 0.00 C ATOM 1330 C LYS A 88 83.861 -4.978 -3.302 1.00 0.00 C ATOM 1331 O LYS A 88 82.736 -5.190 -3.708 1.00 0.00 O ATOM 1332 CB LYS A 88 84.943 -7.161 -3.860 1.00 0.00 C ATOM 1333 CG LYS A 88 85.325 -8.502 -3.228 1.00 0.00 C ATOM 1334 CD LYS A 88 86.597 -9.035 -3.891 1.00 0.00 C ATOM 1335 CE LYS A 88 86.721 -10.537 -3.627 1.00 0.00 C ATOM 1336 NZ LYS A 88 88.183 -10.817 -3.683 1.00 0.00 N ATOM 0 H LYS A 88 83.365 -7.501 -1.932 1.00 0.00 H new ATOM 0 HA LYS A 88 85.690 -5.670 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 88 84.029 -7.273 -4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 88 85.724 -6.840 -4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 88 85.485 -8.379 -2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 88 84.512 -9.218 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 88 86.567 -8.845 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 88 87.470 -8.513 -3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 88 86.305 -10.803 -2.655 1.00 0.00 H new ATOM 0 HE3 LYS A 88 86.179 -11.116 -4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 88.349 -11.829 -3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 88.550 -10.560 -4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 88.672 -10.257 -2.955 1.00 0.00 H new ATOM 1350 N LEU A 89 84.362 -3.783 -3.295 1.00 0.00 N ATOM 1351 CA LEU A 89 83.560 -2.638 -3.789 1.00 0.00 C ATOM 1352 C LEU A 89 84.249 -1.982 -4.984 1.00 0.00 C ATOM 1353 O LEU A 89 85.367 -2.311 -5.328 1.00 0.00 O ATOM 1354 CB LEU A 89 83.487 -1.665 -2.610 1.00 0.00 C ATOM 1355 CG LEU A 89 84.815 -1.643 -1.850 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.021 -0.264 -1.222 1.00 0.00 C ATOM 1357 CD2 LEU A 89 84.787 -2.704 -0.747 1.00 0.00 C ATOM 0 H LEU A 89 85.298 -3.547 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 89 82.570 -2.945 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 89 83.251 -0.664 -2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 89 82.681 -1.959 -1.937 1.00 0.00 H new ATOM 0 HG LEU A 89 85.632 -1.854 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 89 85.967 -0.248 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.039 0.494 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 89 84.204 -0.053 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 89 85.732 -2.690 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 89 83.970 -2.491 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 89 84.639 -3.688 -1.192 1.00 0.00 H new ATOM 1369 N GLU A 90 83.589 -1.055 -5.620 1.00 0.00 N ATOM 1370 CA GLU A 90 84.209 -0.376 -6.794 1.00 0.00 C ATOM 1371 C GLU A 90 83.329 0.784 -7.268 1.00 0.00 C ATOM 1372 O GLU A 90 82.119 0.739 -7.168 1.00 0.00 O ATOM 1373 CB GLU A 90 84.298 -1.455 -7.875 1.00 0.00 C ATOM 1374 CG GLU A 90 82.895 -1.971 -8.201 1.00 0.00 C ATOM 1375 CD GLU A 90 82.970 -2.957 -9.368 1.00 0.00 C ATOM 1376 OE1 GLU A 90 83.456 -4.057 -9.157 1.00 0.00 O ATOM 1377 OE2 GLU A 90 82.543 -2.596 -10.451 1.00 0.00 O ATOM 0 H GLU A 90 82.650 -0.738 -5.379 1.00 0.00 H new ATOM 0 HA GLU A 90 85.185 0.046 -6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 90 84.764 -1.048 -8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 90 84.928 -2.276 -7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 90 82.464 -2.459 -7.327 1.00 0.00 H new ATOM 0 HG3 GLU A 90 82.240 -1.138 -8.457 1.00 0.00 H new