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 -140:sc= -2.5! USER MOD Set 1.2: A 19 ASN : amide:sc= -5.41! C(o=-10!,f=-13!) USER MOD Set 1.3: A 62 TYR OH : rot 20:sc= -2.23! USER MOD Single : A 15 THR OG1 : rot 35:sc= 0.00231 USER MOD Single : A 24 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.18) USER MOD Single : A 26 ASN : amide:sc= -3.57! C(o=-3.6!,f=-17!) USER MOD Single : A 28 ASN : amide:sc= -0.0128 X(o=-0.013,f=-0.24) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= -3.17! (180deg=-3.56!) 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= -0.779 K(o=-0.78,f=-2.4) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -160:sc= -2.98! USER MOD Single : A 57 ASN : amide:sc= -0.0173 K(o=-0.017,f=-1.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -93:sc= -0.395 USER MOD Single : A 73 LYS NZ :NH3+ -132:sc= -0.383 (180deg=-0.976!) USER MOD Single : A 78 THR OG1 : rot 77:sc= 1.3 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN :FLIP amide:sc= -4.81! C(o=-6.8!,f=-4.8!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.476 9.744 -3.040 1.00 0.00 N ATOM 191 CA THR A 15 70.437 9.883 -1.555 1.00 0.00 C ATOM 192 C THR A 15 71.746 10.489 -1.046 1.00 0.00 C ATOM 193 O THR A 15 71.871 10.841 0.109 1.00 0.00 O ATOM 194 CB THR A 15 70.264 8.459 -1.025 1.00 0.00 C ATOM 195 OG1 THR A 15 68.916 8.048 -1.207 1.00 0.00 O ATOM 196 CG2 THR A 15 70.615 8.419 0.465 1.00 0.00 C ATOM 0 HA THR A 15 69.633 10.540 -1.224 1.00 0.00 H new ATOM 0 HB THR A 15 70.926 7.786 -1.570 1.00 0.00 H new ATOM 0 HG1 THR A 15 68.566 8.432 -2.038 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.491 7.403 0.841 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.649 8.734 0.604 1.00 0.00 H new ATOM 0 HG23 THR A 15 69.955 9.092 1.013 1.00 0.00 H new ATOM 204 N THR A 16 72.723 10.610 -1.899 1.00 0.00 N ATOM 205 CA THR A 16 74.024 11.191 -1.461 1.00 0.00 C ATOM 206 C THR A 16 74.947 11.406 -2.661 1.00 0.00 C ATOM 207 O THR A 16 74.711 10.881 -3.731 1.00 0.00 O ATOM 208 CB THR A 16 74.628 10.155 -0.511 1.00 0.00 C ATOM 209 OG1 THR A 16 73.852 8.965 -0.544 1.00 0.00 O ATOM 210 CG2 THR A 16 74.648 10.713 0.911 1.00 0.00 C ATOM 0 H THR A 16 72.679 10.333 -2.880 1.00 0.00 H new ATOM 0 HA THR A 16 73.892 12.161 -0.982 1.00 0.00 H new ATOM 0 HB THR A 16 75.647 9.930 -0.826 1.00 0.00 H new ATOM 0 HG1 THR A 16 73.772 8.601 0.363 1.00 0.00 H new ATOM 0 HG21 THR A 16 75.079 9.973 1.586 1.00 0.00 H new ATOM 0 HG22 THR A 16 75.250 11.622 0.937 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.630 10.943 1.226 1.00 0.00 H new ATOM 218 N PRO A 17 75.972 12.180 -2.435 1.00 0.00 N ATOM 219 CA PRO A 17 76.952 12.482 -3.503 1.00 0.00 C ATOM 220 C PRO A 17 77.896 11.295 -3.716 1.00 0.00 C ATOM 221 O PRO A 17 78.242 10.959 -4.832 1.00 0.00 O ATOM 222 CB PRO A 17 77.715 13.685 -2.958 1.00 0.00 C ATOM 223 CG PRO A 17 77.581 13.591 -1.469 1.00 0.00 C ATOM 224 CD PRO A 17 76.305 12.845 -1.172 1.00 0.00 C ATOM 0 HA PRO A 17 76.485 12.678 -4.468 1.00 0.00 H new ATOM 0 HB2 PRO A 17 78.761 13.659 -3.262 1.00 0.00 H new ATOM 0 HB3 PRO A 17 77.298 14.619 -3.333 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.437 13.071 -1.040 1.00 0.00 H new ATOM 0 HG3 PRO A 17 77.556 14.585 -1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.444 12.123 -0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 17 75.511 13.523 -0.858 1.00 0.00 H new ATOM 232 N PHE A 18 78.323 10.660 -2.657 1.00 0.00 N ATOM 233 CA PHE A 18 79.250 9.502 -2.811 1.00 0.00 C ATOM 234 C PHE A 18 78.483 8.181 -2.697 1.00 0.00 C ATOM 235 O PHE A 18 78.037 7.798 -1.634 1.00 0.00 O ATOM 236 CB PHE A 18 80.255 9.645 -1.669 1.00 0.00 C ATOM 237 CG PHE A 18 81.073 10.896 -1.880 1.00 0.00 C ATOM 238 CD1 PHE A 18 82.155 10.884 -2.769 1.00 0.00 C ATOM 239 CD2 PHE A 18 80.748 12.071 -1.191 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.911 12.045 -2.967 1.00 0.00 C ATOM 241 CE2 PHE A 18 81.503 13.233 -1.390 1.00 0.00 C ATOM 242 CZ PHE A 18 82.585 13.220 -2.278 1.00 0.00 C ATOM 0 H PHE A 18 78.071 10.892 -1.696 1.00 0.00 H new ATOM 0 HA PHE A 18 79.739 9.494 -3.785 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.733 9.695 -0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.907 8.772 -1.631 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.406 9.979 -3.302 1.00 0.00 H new ATOM 0 HD2 PHE A 18 79.914 12.081 -0.505 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.746 12.035 -3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 18 81.251 14.139 -0.859 1.00 0.00 H new ATOM 0 HZ PHE A 18 83.168 14.116 -2.432 1.00 0.00 H new ATOM 252 N ASN A 19 78.334 7.483 -3.788 1.00 0.00 N ATOM 253 CA ASN A 19 77.607 6.187 -3.763 1.00 0.00 C ATOM 254 C ASN A 19 78.346 5.170 -4.632 1.00 0.00 C ATOM 255 O ASN A 19 79.044 5.524 -5.561 1.00 0.00 O ATOM 256 CB ASN A 19 76.233 6.494 -4.351 1.00 0.00 C ATOM 257 CG ASN A 19 75.672 7.766 -3.711 1.00 0.00 C ATOM 258 OD1 ASN A 19 76.246 8.830 -3.840 1.00 0.00 O ATOM 259 ND2 ASN A 19 74.566 7.701 -3.021 1.00 0.00 N ATOM 0 H ASN A 19 78.689 7.759 -4.704 1.00 0.00 H new ATOM 0 HA ASN A 19 77.532 5.766 -2.760 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.309 6.621 -5.431 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.556 5.658 -4.175 1.00 0.00 H new ATOM 0 HD21 ASN A 19 74.183 8.543 -2.590 1.00 0.00 H new ATOM 0 HD22 ASN A 19 74.084 6.809 -2.913 1.00 0.00 H new ATOM 266 N LEU A 20 78.202 3.916 -4.334 1.00 0.00 N ATOM 267 CA LEU A 20 78.900 2.875 -5.139 1.00 0.00 C ATOM 268 C LEU A 20 78.311 1.501 -4.849 1.00 0.00 C ATOM 269 O LEU A 20 77.463 1.341 -3.994 1.00 0.00 O ATOM 270 CB LEU A 20 80.361 2.940 -4.690 1.00 0.00 C ATOM 271 CG LEU A 20 80.490 2.345 -3.289 1.00 0.00 C ATOM 272 CD1 LEU A 20 81.969 2.232 -2.913 1.00 0.00 C ATOM 273 CD2 LEU A 20 79.778 3.251 -2.284 1.00 0.00 C ATOM 0 H LEU A 20 77.631 3.562 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 20 78.796 3.043 -6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.992 2.392 -5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.707 3.974 -4.691 1.00 0.00 H new ATOM 0 HG LEU A 20 80.036 1.354 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 20 82.059 1.807 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 20 82.478 1.586 -3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 20 82.425 3.222 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 20 79.869 2.827 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 20 80.233 4.242 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 20 78.724 3.331 -2.549 1.00 0.00 H new ATOM 285 N PHE A 21 78.753 0.513 -5.563 1.00 0.00 N ATOM 286 CA PHE A 21 78.225 -0.856 -5.348 1.00 0.00 C ATOM 287 C PHE A 21 79.296 -1.731 -4.692 1.00 0.00 C ATOM 288 O PHE A 21 80.473 -1.438 -4.753 1.00 0.00 O ATOM 289 CB PHE A 21 77.893 -1.355 -6.750 1.00 0.00 C ATOM 290 CG PHE A 21 76.545 -2.034 -6.743 1.00 0.00 C ATOM 291 CD1 PHE A 21 76.439 -3.389 -6.407 1.00 0.00 C ATOM 292 CD2 PHE A 21 75.396 -1.305 -7.074 1.00 0.00 C ATOM 293 CE1 PHE A 21 75.185 -4.014 -6.404 1.00 0.00 C ATOM 294 CE2 PHE A 21 74.144 -1.929 -7.071 1.00 0.00 C ATOM 295 CZ PHE A 21 74.038 -3.283 -6.736 1.00 0.00 C ATOM 0 H PHE A 21 79.462 0.594 -6.292 1.00 0.00 H new ATOM 0 HA PHE A 21 77.357 -0.881 -4.689 1.00 0.00 H new ATOM 0 HB2 PHE A 21 77.887 -0.521 -7.451 1.00 0.00 H new ATOM 0 HB3 PHE A 21 78.660 -2.051 -7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 21 77.324 -3.952 -6.150 1.00 0.00 H new ATOM 0 HD2 PHE A 21 75.477 -0.259 -7.332 1.00 0.00 H new ATOM 0 HE1 PHE A 21 75.103 -5.059 -6.146 1.00 0.00 H new ATOM 0 HE2 PHE A 21 73.259 -1.365 -7.327 1.00 0.00 H new ATOM 0 HZ PHE A 21 73.071 -3.765 -6.733 1.00 0.00 H new ATOM 305 N ILE A 22 78.896 -2.798 -4.066 1.00 0.00 N ATOM 306 CA ILE A 22 79.886 -3.691 -3.404 1.00 0.00 C ATOM 307 C ILE A 22 79.452 -5.144 -3.575 1.00 0.00 C ATOM 308 O ILE A 22 78.281 -5.445 -3.652 1.00 0.00 O ATOM 309 CB ILE A 22 79.872 -3.267 -1.929 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.876 -2.128 -1.727 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.255 -4.447 -1.031 1.00 0.00 C ATOM 312 CD1 ILE A 22 80.525 -1.355 -0.455 1.00 0.00 C ATOM 0 H ILE A 22 77.923 -3.093 -3.983 1.00 0.00 H new ATOM 0 HA ILE A 22 80.888 -3.612 -3.826 1.00 0.00 H new ATOM 0 HB ILE A 22 78.869 -2.934 -1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.887 -2.529 -1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 22 80.860 -1.459 -2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 22 80.241 -4.130 0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.542 -5.259 -1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.255 -4.793 -1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 22 81.240 -0.545 -0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 22 79.521 -0.941 -0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.563 -2.028 0.402 1.00 0.00 H new ATOM 324 N GLY A 23 80.387 -6.044 -3.641 1.00 0.00 N ATOM 325 CA GLY A 23 80.018 -7.474 -3.818 1.00 0.00 C ATOM 326 C GLY A 23 80.778 -8.338 -2.815 1.00 0.00 C ATOM 327 O GLY A 23 81.448 -7.842 -1.932 1.00 0.00 O ATOM 0 H GLY A 23 81.387 -5.854 -3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 23 78.944 -7.601 -3.679 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.248 -7.794 -4.834 1.00 0.00 H new ATOM 331 N ASN A 24 80.669 -9.633 -2.944 1.00 0.00 N ATOM 332 CA ASN A 24 81.372 -10.553 -2.001 1.00 0.00 C ATOM 333 C ASN A 24 80.690 -10.515 -0.633 1.00 0.00 C ATOM 334 O ASN A 24 81.327 -10.348 0.388 1.00 0.00 O ATOM 335 CB ASN A 24 82.808 -10.028 -1.903 1.00 0.00 C ATOM 336 CG ASN A 24 83.730 -11.147 -1.410 1.00 0.00 C ATOM 337 OD1 ASN A 24 83.769 -12.216 -1.985 1.00 0.00 O ATOM 338 ND2 ASN A 24 84.478 -10.942 -0.360 1.00 0.00 N ATOM 0 H ASN A 24 80.119 -10.097 -3.667 1.00 0.00 H new ATOM 0 HA ASN A 24 81.350 -11.587 -2.345 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.142 -9.670 -2.877 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.850 -9.180 -1.219 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.096 -11.680 -0.022 1.00 0.00 H new ATOM 0 HD22 ASN A 24 84.445 -10.044 0.122 1.00 0.00 H new ATOM 345 N LEU A 25 79.393 -10.667 -0.608 1.00 0.00 N ATOM 346 CA LEU A 25 78.663 -10.640 0.690 1.00 0.00 C ATOM 347 C LEU A 25 78.456 -12.063 1.205 1.00 0.00 C ATOM 348 O LEU A 25 77.888 -12.904 0.538 1.00 0.00 O ATOM 349 CB LEU A 25 77.315 -9.986 0.380 1.00 0.00 C ATOM 350 CG LEU A 25 77.488 -8.471 0.224 1.00 0.00 C ATOM 351 CD1 LEU A 25 77.972 -7.868 1.544 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.512 -8.179 -0.875 1.00 0.00 C ATOM 0 H LEU A 25 78.808 -10.809 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 25 79.212 -10.095 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 25 76.899 -10.408 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.606 -10.198 1.180 1.00 0.00 H new ATOM 0 HG LEU A 25 76.530 -8.028 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.094 -6.791 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 25 77.240 -8.069 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 25 78.928 -8.314 1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.632 -7.101 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.470 -8.626 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 25 78.164 -8.602 -1.818 1.00 0.00 H new ATOM 364 N ASN A 26 78.915 -12.333 2.391 1.00 0.00 N ATOM 365 CA ASN A 26 78.755 -13.698 2.968 1.00 0.00 C ATOM 366 C ASN A 26 77.349 -14.234 2.682 1.00 0.00 C ATOM 367 O ASN A 26 76.396 -13.862 3.338 1.00 0.00 O ATOM 368 CB ASN A 26 78.964 -13.506 4.469 1.00 0.00 C ATOM 369 CG ASN A 26 78.795 -14.845 5.188 1.00 0.00 C ATOM 370 OD1 ASN A 26 77.986 -15.662 4.794 1.00 0.00 O ATOM 371 ND2 ASN A 26 79.530 -15.108 6.234 1.00 0.00 N ATOM 0 H ASN A 26 79.398 -11.665 2.992 1.00 0.00 H new ATOM 0 HA ASN A 26 79.456 -14.417 2.543 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.959 -13.103 4.659 1.00 0.00 H new ATOM 0 HB3 ASN A 26 78.248 -12.781 4.856 1.00 0.00 H new ATOM 0 HD21 ASN A 26 79.425 -15.999 6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 26 80.209 -14.423 6.565 1.00 0.00 H new ATOM 378 N PRO A 27 77.270 -15.096 1.704 1.00 0.00 N ATOM 379 CA PRO A 27 75.970 -15.695 1.319 1.00 0.00 C ATOM 380 C PRO A 27 75.540 -16.743 2.351 1.00 0.00 C ATOM 381 O PRO A 27 74.392 -17.140 2.405 1.00 0.00 O ATOM 382 CB PRO A 27 76.261 -16.348 -0.028 1.00 0.00 C ATOM 383 CG PRO A 27 77.732 -16.619 -0.021 1.00 0.00 C ATOM 384 CD PRO A 27 78.374 -15.588 0.873 1.00 0.00 C ATOM 0 HA PRO A 27 75.160 -14.967 1.268 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.691 -17.269 -0.151 1.00 0.00 H new ATOM 0 HB3 PRO A 27 75.985 -15.690 -0.852 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.936 -17.625 0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 27 78.139 -16.559 -1.031 1.00 0.00 H new ATOM 0 HD2 PRO A 27 79.166 -16.026 1.481 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.825 -14.783 0.293 1.00 0.00 H new ATOM 392 N ASN A 28 76.452 -17.194 3.169 1.00 0.00 N ATOM 393 CA ASN A 28 76.093 -18.214 4.196 1.00 0.00 C ATOM 394 C ASN A 28 75.364 -17.548 5.363 1.00 0.00 C ATOM 395 O ASN A 28 74.729 -18.200 6.168 1.00 0.00 O ATOM 396 CB ASN A 28 77.428 -18.799 4.659 1.00 0.00 C ATOM 397 CG ASN A 28 77.695 -20.112 3.921 1.00 0.00 C ATOM 398 OD1 ASN A 28 76.865 -20.999 3.915 1.00 0.00 O ATOM 399 ND2 ASN A 28 78.827 -20.274 3.293 1.00 0.00 N ATOM 0 H ASN A 28 77.429 -16.901 3.171 1.00 0.00 H new ATOM 0 HA ASN A 28 75.429 -18.983 3.802 1.00 0.00 H new ATOM 0 HB2 ASN A 28 78.234 -18.091 4.466 1.00 0.00 H new ATOM 0 HB3 ASN A 28 77.407 -18.972 5.735 1.00 0.00 H new ATOM 0 HD21 ASN A 28 79.015 -21.145 2.797 1.00 0.00 H new ATOM 0 HD22 ASN A 28 79.524 -19.529 3.298 1.00 0.00 H new ATOM 406 N LYS A 29 75.451 -16.252 5.457 1.00 0.00 N ATOM 407 CA LYS A 29 74.764 -15.533 6.565 1.00 0.00 C ATOM 408 C LYS A 29 73.542 -14.791 6.022 1.00 0.00 C ATOM 409 O LYS A 29 72.990 -15.149 4.999 1.00 0.00 O ATOM 410 CB LYS A 29 75.802 -14.544 7.095 1.00 0.00 C ATOM 411 CG LYS A 29 76.125 -14.874 8.554 1.00 0.00 C ATOM 412 CD LYS A 29 74.844 -14.802 9.388 1.00 0.00 C ATOM 413 CE LYS A 29 74.967 -15.737 10.594 1.00 0.00 C ATOM 414 NZ LYS A 29 73.691 -16.503 10.618 1.00 0.00 N ATOM 0 H LYS A 29 75.970 -15.657 4.812 1.00 0.00 H new ATOM 0 HA LYS A 29 74.410 -16.206 7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.708 -14.593 6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.422 -13.525 7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.562 -15.870 8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 29 76.864 -14.173 8.942 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.673 -13.779 9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 29 73.985 -15.086 8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.825 -16.402 10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 29 75.107 -15.175 11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 73.699 -17.167 11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 72.893 -15.845 10.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 73.588 -17.034 9.730 1.00 0.00 H new ATOM 428 N SER A 30 73.117 -13.760 6.692 1.00 0.00 N ATOM 429 CA SER A 30 71.933 -12.996 6.208 1.00 0.00 C ATOM 430 C SER A 30 72.385 -11.731 5.483 1.00 0.00 C ATOM 431 O SER A 30 73.412 -11.158 5.793 1.00 0.00 O ATOM 432 CB SER A 30 71.151 -12.624 7.460 1.00 0.00 C ATOM 433 OG SER A 30 71.103 -13.741 8.338 1.00 0.00 O ATOM 0 H SER A 30 73.537 -13.412 7.554 1.00 0.00 H new ATOM 0 HA SER A 30 71.333 -13.579 5.509 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.622 -11.777 7.958 1.00 0.00 H new ATOM 0 HB3 SER A 30 70.141 -12.315 7.192 1.00 0.00 H new ATOM 0 HG SER A 30 70.601 -13.501 9.145 1.00 0.00 H new ATOM 439 N VAL A 31 71.626 -11.283 4.526 1.00 0.00 N ATOM 440 CA VAL A 31 72.022 -10.051 3.797 1.00 0.00 C ATOM 441 C VAL A 31 71.960 -8.849 4.739 1.00 0.00 C ATOM 442 O VAL A 31 72.868 -8.044 4.792 1.00 0.00 O ATOM 443 CB VAL A 31 71.013 -9.907 2.658 1.00 0.00 C ATOM 444 CG1 VAL A 31 71.561 -8.929 1.617 1.00 0.00 C ATOM 445 CG2 VAL A 31 70.787 -11.271 2.001 1.00 0.00 C ATOM 0 H VAL A 31 70.754 -11.714 4.219 1.00 0.00 H new ATOM 0 HA VAL A 31 73.042 -10.105 3.415 1.00 0.00 H new ATOM 0 HB VAL A 31 70.069 -9.532 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 31 70.844 -8.824 0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 31 71.727 -7.957 2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 31 72.504 -9.308 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 31 70.067 -11.169 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 31 71.731 -11.645 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 31 70.401 -11.972 2.741 1.00 0.00 H new ATOM 455 N ALA A 32 70.904 -8.729 5.495 1.00 0.00 N ATOM 456 CA ALA A 32 70.803 -7.583 6.441 1.00 0.00 C ATOM 457 C ALA A 32 72.000 -7.601 7.392 1.00 0.00 C ATOM 458 O ALA A 32 72.598 -6.582 7.675 1.00 0.00 O ATOM 459 CB ALA A 32 69.498 -7.810 7.206 1.00 0.00 C ATOM 0 H ALA A 32 70.111 -9.371 5.499 1.00 0.00 H new ATOM 0 HA ALA A 32 70.806 -6.617 5.935 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.353 -7.004 7.925 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.663 -7.826 6.505 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.547 -8.762 7.734 1.00 0.00 H new ATOM 465 N GLU A 33 72.360 -8.757 7.875 1.00 0.00 N ATOM 466 CA GLU A 33 73.528 -8.849 8.794 1.00 0.00 C ATOM 467 C GLU A 33 74.771 -8.314 8.085 1.00 0.00 C ATOM 468 O GLU A 33 75.617 -7.680 8.684 1.00 0.00 O ATOM 469 CB GLU A 33 73.684 -10.340 9.097 1.00 0.00 C ATOM 470 CG GLU A 33 72.480 -10.827 9.907 1.00 0.00 C ATOM 471 CD GLU A 33 72.469 -10.138 11.272 1.00 0.00 C ATOM 472 OE1 GLU A 33 73.524 -9.696 11.698 1.00 0.00 O ATOM 473 OE2 GLU A 33 71.407 -10.063 11.867 1.00 0.00 O ATOM 0 H GLU A 33 71.896 -9.642 7.673 1.00 0.00 H new ATOM 0 HA GLU A 33 73.392 -8.268 9.706 1.00 0.00 H new ATOM 0 HB2 GLU A 33 73.762 -10.904 8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.605 -10.514 9.654 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.556 -10.610 9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.528 -11.908 10.034 1.00 0.00 H new ATOM 480 N LEU A 34 74.878 -8.552 6.806 1.00 0.00 N ATOM 481 CA LEU A 34 76.052 -8.044 6.055 1.00 0.00 C ATOM 482 C LEU A 34 76.010 -6.517 6.041 1.00 0.00 C ATOM 483 O LEU A 34 77.028 -5.852 6.037 1.00 0.00 O ATOM 484 CB LEU A 34 75.885 -8.606 4.646 1.00 0.00 C ATOM 485 CG LEU A 34 76.541 -9.986 4.564 1.00 0.00 C ATOM 486 CD1 LEU A 34 75.595 -10.962 3.864 1.00 0.00 C ATOM 487 CD2 LEU A 34 77.844 -9.885 3.770 1.00 0.00 C ATOM 0 H LEU A 34 74.201 -9.077 6.252 1.00 0.00 H new ATOM 0 HA LEU A 34 77.005 -8.341 6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 34 74.827 -8.680 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 34 76.338 -7.933 3.919 1.00 0.00 H new ATOM 0 HG LEU A 34 76.754 -10.345 5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.063 -11.945 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 34 74.665 -11.036 4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 34 75.381 -10.602 2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.312 -10.868 3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 34 77.630 -9.524 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 34 78.521 -9.191 4.268 1.00 0.00 H new ATOM 499 N LYS A 35 74.830 -5.959 6.053 1.00 0.00 N ATOM 500 CA LYS A 35 74.704 -4.476 6.058 1.00 0.00 C ATOM 501 C LYS A 35 75.240 -3.927 7.380 1.00 0.00 C ATOM 502 O LYS A 35 76.063 -3.034 7.411 1.00 0.00 O ATOM 503 CB LYS A 35 73.204 -4.204 5.935 1.00 0.00 C ATOM 504 CG LYS A 35 72.935 -3.365 4.685 1.00 0.00 C ATOM 505 CD LYS A 35 73.435 -4.113 3.447 1.00 0.00 C ATOM 506 CE LYS A 35 72.965 -5.568 3.499 1.00 0.00 C ATOM 507 NZ LYS A 35 73.513 -6.194 2.264 1.00 0.00 N ATOM 0 H LYS A 35 73.946 -6.469 6.060 1.00 0.00 H new ATOM 0 HA LYS A 35 75.266 -4.003 5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 35 72.657 -5.145 5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 35 72.845 -3.680 6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 35 71.868 -3.162 4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 35 73.437 -2.401 4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 35 73.060 -3.632 2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 35 74.523 -4.074 3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 35 73.334 -6.070 4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 35 71.877 -5.631 3.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 73.335 -7.218 2.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 73.050 -5.780 1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 74.537 -6.022 2.213 1.00 0.00 H new ATOM 521 N VAL A 36 74.781 -4.469 8.475 1.00 0.00 N ATOM 522 CA VAL A 36 75.259 -4.002 9.805 1.00 0.00 C ATOM 523 C VAL A 36 76.767 -4.194 9.912 1.00 0.00 C ATOM 524 O VAL A 36 77.464 -3.365 10.449 1.00 0.00 O ATOM 525 CB VAL A 36 74.545 -4.895 10.808 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.811 -4.390 12.228 1.00 0.00 C ATOM 527 CG2 VAL A 36 73.041 -4.876 10.531 1.00 0.00 C ATOM 0 H VAL A 36 74.091 -5.220 8.504 1.00 0.00 H new ATOM 0 HA VAL A 36 75.054 -2.945 9.974 1.00 0.00 H new ATOM 0 HB VAL A 36 74.918 -5.915 10.712 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.298 -5.032 12.944 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.883 -4.409 12.426 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.442 -3.369 12.326 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.530 -5.516 11.250 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.667 -3.856 10.623 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.852 -5.242 9.522 1.00 0.00 H new ATOM 537 N ALA A 37 77.281 -5.278 9.400 1.00 0.00 N ATOM 538 CA ALA A 37 78.750 -5.494 9.474 1.00 0.00 C ATOM 539 C ALA A 37 79.447 -4.371 8.717 1.00 0.00 C ATOM 540 O ALA A 37 80.516 -3.927 9.083 1.00 0.00 O ATOM 541 CB ALA A 37 78.998 -6.844 8.801 1.00 0.00 C ATOM 0 H ALA A 37 76.751 -6.017 8.938 1.00 0.00 H new ATOM 0 HA ALA A 37 79.131 -5.493 10.495 1.00 0.00 H new ATOM 0 HB1 ALA A 37 80.064 -7.069 8.819 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.454 -7.622 9.336 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.653 -6.804 7.768 1.00 0.00 H new ATOM 547 N ILE A 38 78.831 -3.894 7.673 1.00 0.00 N ATOM 548 CA ILE A 38 79.435 -2.780 6.898 1.00 0.00 C ATOM 549 C ILE A 38 79.138 -1.459 7.608 1.00 0.00 C ATOM 550 O ILE A 38 79.917 -0.525 7.559 1.00 0.00 O ATOM 551 CB ILE A 38 78.754 -2.827 5.530 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.209 -4.082 4.780 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.139 -1.586 4.724 1.00 0.00 C ATOM 554 CD1 ILE A 38 78.155 -4.465 3.739 1.00 0.00 C ATOM 0 H ILE A 38 77.933 -4.229 7.323 1.00 0.00 H new ATOM 0 HA ILE A 38 80.517 -2.866 6.803 1.00 0.00 H new ATOM 0 HB ILE A 38 77.672 -2.852 5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 38 80.167 -3.900 4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.358 -4.903 5.481 1.00 0.00 H new ATOM 0 HG21 ILE A 38 78.653 -1.620 3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 38 78.818 -0.691 5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 38 80.220 -1.560 4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 38 78.479 -5.358 3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 38 77.207 -4.664 4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 38 78.028 -3.646 3.032 1.00 0.00 H new ATOM 566 N SER A 39 78.021 -1.377 8.286 1.00 0.00 N ATOM 567 CA SER A 39 77.691 -0.116 9.010 1.00 0.00 C ATOM 568 C SER A 39 78.513 -0.049 10.295 1.00 0.00 C ATOM 569 O SER A 39 78.819 1.012 10.805 1.00 0.00 O ATOM 570 CB SER A 39 76.199 -0.217 9.328 1.00 0.00 C ATOM 571 OG SER A 39 75.794 0.942 10.046 1.00 0.00 O ATOM 0 H SER A 39 77.330 -2.123 8.368 1.00 0.00 H new ATOM 0 HA SER A 39 77.914 0.779 8.429 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.624 -0.308 8.406 1.00 0.00 H new ATOM 0 HB3 SER A 39 76.000 -1.112 9.917 1.00 0.00 H new ATOM 0 HG SER A 39 74.837 0.882 10.251 1.00 0.00 H new ATOM 577 N GLU A 40 78.887 -1.185 10.808 1.00 0.00 N ATOM 578 CA GLU A 40 79.702 -1.220 12.047 1.00 0.00 C ATOM 579 C GLU A 40 81.166 -1.015 11.690 1.00 0.00 C ATOM 580 O GLU A 40 81.883 -0.274 12.334 1.00 0.00 O ATOM 581 CB GLU A 40 79.475 -2.613 12.613 1.00 0.00 C ATOM 582 CG GLU A 40 79.349 -2.537 14.135 1.00 0.00 C ATOM 583 CD GLU A 40 80.729 -2.301 14.751 1.00 0.00 C ATOM 584 OE1 GLU A 40 81.145 -1.155 14.802 1.00 0.00 O ATOM 585 OE2 GLU A 40 81.347 -3.269 15.160 1.00 0.00 O ATOM 0 H GLU A 40 78.660 -2.099 10.417 1.00 0.00 H new ATOM 0 HA GLU A 40 79.431 -0.443 12.762 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.571 -3.047 12.185 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.303 -3.267 12.339 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.672 -1.730 14.414 1.00 0.00 H new ATOM 0 HG3 GLU A 40 78.920 -3.461 14.521 1.00 0.00 H new ATOM 592 N LEU A 41 81.609 -1.663 10.653 1.00 0.00 N ATOM 593 CA LEU A 41 83.023 -1.503 10.231 1.00 0.00 C ATOM 594 C LEU A 41 83.282 -0.039 9.895 1.00 0.00 C ATOM 595 O LEU A 41 84.336 0.496 10.174 1.00 0.00 O ATOM 596 CB LEU A 41 83.175 -2.386 8.992 1.00 0.00 C ATOM 597 CG LEU A 41 84.603 -2.929 8.928 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.674 -4.266 9.667 1.00 0.00 C ATOM 599 CD2 LEU A 41 85.003 -3.135 7.467 1.00 0.00 C ATOM 0 H LEU A 41 81.052 -2.297 10.079 1.00 0.00 H new ATOM 0 HA LEU A 41 83.733 -1.789 11.007 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.462 -3.210 9.029 1.00 0.00 H new ATOM 0 HB3 LEU A 41 82.952 -1.812 8.093 1.00 0.00 H new ATOM 0 HG LEU A 41 85.284 -2.218 9.396 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.692 -4.653 9.621 1.00 0.00 H new ATOM 0 HD12 LEU A 41 84.387 -4.122 10.709 1.00 0.00 H new ATOM 0 HD13 LEU A 41 83.994 -4.977 9.198 1.00 0.00 H new ATOM 0 HD21 LEU A 41 86.021 -3.522 7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.322 -3.847 7.000 1.00 0.00 H new ATOM 0 HD23 LEU A 41 84.952 -2.183 6.938 1.00 0.00 H new ATOM 611 N PHE A 42 82.317 0.621 9.318 1.00 0.00 N ATOM 612 CA PHE A 42 82.494 2.052 8.993 1.00 0.00 C ATOM 613 C PHE A 42 82.173 2.877 10.234 1.00 0.00 C ATOM 614 O PHE A 42 82.607 4.002 10.382 1.00 0.00 O ATOM 615 CB PHE A 42 81.476 2.325 7.895 1.00 0.00 C ATOM 616 CG PHE A 42 81.948 1.724 6.592 1.00 0.00 C ATOM 617 CD1 PHE A 42 82.166 0.344 6.493 1.00 0.00 C ATOM 618 CD2 PHE A 42 82.166 2.549 5.481 1.00 0.00 C ATOM 619 CE1 PHE A 42 82.601 -0.210 5.284 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.602 1.993 4.272 1.00 0.00 C ATOM 621 CZ PHE A 42 82.820 0.614 4.173 1.00 0.00 C ATOM 0 H PHE A 42 81.413 0.225 9.059 1.00 0.00 H new ATOM 0 HA PHE A 42 83.506 2.303 8.676 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.510 1.903 8.171 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.333 3.399 7.779 1.00 0.00 H new ATOM 0 HD1 PHE A 42 81.998 -0.292 7.349 1.00 0.00 H new ATOM 0 HD2 PHE A 42 81.998 3.613 5.557 1.00 0.00 H new ATOM 0 HE1 PHE A 42 82.768 -1.274 5.208 1.00 0.00 H new ATOM 0 HE2 PHE A 42 82.770 2.629 3.415 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.157 0.186 3.241 1.00 0.00 H new ATOM 631 N ALA A 43 81.415 2.311 11.135 1.00 0.00 N ATOM 632 CA ALA A 43 81.063 3.045 12.382 1.00 0.00 C ATOM 633 C ALA A 43 82.243 2.991 13.349 1.00 0.00 C ATOM 634 O ALA A 43 82.485 3.906 14.110 1.00 0.00 O ATOM 635 CB ALA A 43 79.857 2.302 12.956 1.00 0.00 C ATOM 0 H ALA A 43 81.025 1.372 11.060 1.00 0.00 H new ATOM 0 HA ALA A 43 80.835 4.096 12.204 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.538 2.785 13.880 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.040 2.322 12.235 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.132 1.268 13.164 1.00 0.00 H new ATOM 641 N LYS A 44 82.991 1.921 13.311 1.00 0.00 N ATOM 642 CA LYS A 44 84.170 1.804 14.211 1.00 0.00 C ATOM 643 C LYS A 44 85.399 2.386 13.513 1.00 0.00 C ATOM 644 O LYS A 44 86.410 2.657 14.131 1.00 0.00 O ATOM 645 CB LYS A 44 84.344 0.302 14.449 1.00 0.00 C ATOM 646 CG LYS A 44 84.526 0.038 15.945 1.00 0.00 C ATOM 647 CD LYS A 44 83.154 -0.077 16.615 1.00 0.00 C ATOM 648 CE LYS A 44 82.950 -1.507 17.121 1.00 0.00 C ATOM 649 NZ LYS A 44 82.699 -1.366 18.582 1.00 0.00 N ATOM 0 H LYS A 44 82.835 1.124 12.695 1.00 0.00 H new ATOM 0 HA LYS A 44 84.040 2.344 15.149 1.00 0.00 H new ATOM 0 HB2 LYS A 44 83.474 -0.239 14.077 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.208 -0.066 13.896 1.00 0.00 H new ATOM 0 HG2 LYS A 44 85.094 -0.880 16.096 1.00 0.00 H new ATOM 0 HG3 LYS A 44 85.098 0.846 16.401 1.00 0.00 H new ATOM 0 HD2 LYS A 44 83.082 0.627 17.444 1.00 0.00 H new ATOM 0 HD3 LYS A 44 82.368 0.185 15.906 1.00 0.00 H new ATOM 0 HE2 LYS A 44 82.109 -1.987 16.620 1.00 0.00 H new ATOM 0 HE3 LYS A 44 83.829 -2.123 16.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 82.549 -2.306 19.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 83.519 -0.913 19.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 81.853 -0.781 18.734 1.00 0.00 H new ATOM 663 N ASN A 45 85.313 2.588 12.225 1.00 0.00 N ATOM 664 CA ASN A 45 86.467 3.161 11.479 1.00 0.00 C ATOM 665 C ASN A 45 86.376 4.686 11.484 1.00 0.00 C ATOM 666 O ASN A 45 87.343 5.370 11.212 1.00 0.00 O ATOM 667 CB ASN A 45 86.325 2.619 10.059 1.00 0.00 C ATOM 668 CG ASN A 45 87.230 1.397 9.885 1.00 0.00 C ATOM 669 OD1 ASN A 45 88.123 1.400 9.062 1.00 0.00 O ATOM 670 ND2 ASN A 45 87.036 0.346 10.634 1.00 0.00 N ATOM 0 H ASN A 45 84.491 2.380 11.658 1.00 0.00 H new ATOM 0 HA ASN A 45 87.427 2.894 11.920 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.288 2.347 9.864 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.593 3.389 9.336 1.00 0.00 H new ATOM 0 HD21 ASN A 45 87.635 -0.473 10.528 1.00 0.00 H new ATOM 0 HD22 ASN A 45 86.286 0.344 11.325 1.00 0.00 H new ATOM 677 N ASP A 46 85.203 5.208 11.773 1.00 0.00 N ATOM 678 CA ASP A 46 84.973 6.689 11.796 1.00 0.00 C ATOM 679 C ASP A 46 84.552 7.139 10.410 1.00 0.00 C ATOM 680 O ASP A 46 84.789 8.257 9.996 1.00 0.00 O ATOM 681 CB ASP A 46 86.287 7.355 12.219 1.00 0.00 C ATOM 682 CG ASP A 46 85.982 8.607 13.043 1.00 0.00 C ATOM 683 OD1 ASP A 46 84.992 8.595 13.757 1.00 0.00 O ATOM 684 OD2 ASP A 46 86.743 9.556 12.948 1.00 0.00 O ATOM 0 H ASP A 46 84.377 4.654 11.999 1.00 0.00 H new ATOM 0 HA ASP A 46 84.186 6.965 12.497 1.00 0.00 H new ATOM 0 HB2 ASP A 46 86.888 6.659 12.804 1.00 0.00 H new ATOM 0 HB3 ASP A 46 86.873 7.620 11.339 1.00 0.00 H new ATOM 689 N LEU A 47 83.913 6.261 9.695 1.00 0.00 N ATOM 690 CA LEU A 47 83.445 6.604 8.334 1.00 0.00 C ATOM 691 C LEU A 47 82.159 7.425 8.438 1.00 0.00 C ATOM 692 O LEU A 47 82.038 8.304 9.269 1.00 0.00 O ATOM 693 CB LEU A 47 83.202 5.243 7.666 1.00 0.00 C ATOM 694 CG LEU A 47 83.789 5.254 6.251 1.00 0.00 C ATOM 695 CD1 LEU A 47 83.006 6.234 5.375 1.00 0.00 C ATOM 696 CD2 LEU A 47 85.255 5.687 6.313 1.00 0.00 C ATOM 0 H LEU A 47 83.694 5.313 10.001 1.00 0.00 H new ATOM 0 HA LEU A 47 84.152 7.205 7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.662 4.450 8.255 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.133 5.032 7.626 1.00 0.00 H new ATOM 0 HG LEU A 47 83.720 4.254 5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 47 83.426 6.239 4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 47 81.961 5.927 5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 47 83.072 7.235 5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 47 85.675 5.695 5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 47 85.321 6.687 6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 47 85.815 4.988 6.934 1.00 0.00 H new ATOM 708 N ALA A 48 81.199 7.144 7.616 1.00 0.00 N ATOM 709 CA ALA A 48 79.919 7.901 7.669 1.00 0.00 C ATOM 710 C ALA A 48 78.979 7.389 6.583 1.00 0.00 C ATOM 711 O ALA A 48 78.538 8.122 5.722 1.00 0.00 O ATOM 712 CB ALA A 48 80.299 9.359 7.417 1.00 0.00 C ATOM 0 H ALA A 48 81.242 6.417 6.902 1.00 0.00 H new ATOM 0 HA ALA A 48 79.404 7.786 8.623 1.00 0.00 H new ATOM 0 HB1 ALA A 48 79.402 9.978 7.442 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.992 9.693 8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.774 9.447 6.440 1.00 0.00 H new ATOM 718 N VAL A 49 78.678 6.125 6.624 1.00 0.00 N ATOM 719 CA VAL A 49 77.780 5.532 5.615 1.00 0.00 C ATOM 720 C VAL A 49 76.417 6.212 5.661 1.00 0.00 C ATOM 721 O VAL A 49 75.700 6.151 6.640 1.00 0.00 O ATOM 722 CB VAL A 49 77.673 4.066 6.013 1.00 0.00 C ATOM 723 CG1 VAL A 49 78.997 3.357 5.715 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.367 3.963 7.510 1.00 0.00 C ATOM 0 H VAL A 49 79.024 5.472 7.327 1.00 0.00 H new ATOM 0 HA VAL A 49 78.151 5.651 4.597 1.00 0.00 H new ATOM 0 HB VAL A 49 76.871 3.595 5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 49 78.920 2.308 6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.216 3.429 4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 49 79.799 3.829 6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.290 2.914 7.794 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.168 4.436 8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.424 4.467 7.724 1.00 0.00 H new ATOM 734 N VAL A 50 76.070 6.865 4.599 1.00 0.00 N ATOM 735 CA VAL A 50 74.760 7.575 4.535 1.00 0.00 C ATOM 736 C VAL A 50 73.635 6.597 4.190 1.00 0.00 C ATOM 737 O VAL A 50 72.531 6.714 4.683 1.00 0.00 O ATOM 738 CB VAL A 50 74.946 8.611 3.429 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.762 9.576 3.413 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.227 9.395 3.701 1.00 0.00 C ATOM 0 H VAL A 50 76.641 6.942 3.757 1.00 0.00 H new ATOM 0 HA VAL A 50 74.483 8.032 5.485 1.00 0.00 H new ATOM 0 HB VAL A 50 75.008 8.106 2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.903 10.312 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.842 9.020 3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 50 73.695 10.086 4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.372 10.139 2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.149 9.895 4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 50 77.076 8.712 3.714 1.00 0.00 H new ATOM 750 N ASP A 51 73.901 5.631 3.353 1.00 0.00 N ATOM 751 CA ASP A 51 72.833 4.654 2.992 1.00 0.00 C ATOM 752 C ASP A 51 73.439 3.288 2.664 1.00 0.00 C ATOM 753 O ASP A 51 74.579 3.179 2.268 1.00 0.00 O ATOM 754 CB ASP A 51 72.155 5.248 1.758 1.00 0.00 C ATOM 755 CG ASP A 51 70.887 5.990 2.181 1.00 0.00 C ATOM 756 OD1 ASP A 51 71.014 7.029 2.807 1.00 0.00 O ATOM 757 OD2 ASP A 51 69.810 5.506 1.873 1.00 0.00 O ATOM 0 H ASP A 51 74.805 5.476 2.906 1.00 0.00 H new ATOM 0 HA ASP A 51 72.131 4.496 3.811 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.836 5.930 1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 51 71.907 4.457 1.050 1.00 0.00 H new ATOM 762 N VAL A 52 72.680 2.241 2.831 1.00 0.00 N ATOM 763 CA VAL A 52 73.199 0.883 2.533 1.00 0.00 C ATOM 764 C VAL A 52 72.170 0.106 1.708 1.00 0.00 C ATOM 765 O VAL A 52 71.062 0.558 1.498 1.00 0.00 O ATOM 766 CB VAL A 52 73.405 0.216 3.896 1.00 0.00 C ATOM 767 CG1 VAL A 52 74.815 0.521 4.405 1.00 0.00 C ATOM 768 CG2 VAL A 52 72.375 0.731 4.910 1.00 0.00 C ATOM 0 H VAL A 52 71.716 2.271 3.164 1.00 0.00 H new ATOM 0 HA VAL A 52 74.124 0.912 1.958 1.00 0.00 H new ATOM 0 HB VAL A 52 73.276 -0.860 3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 52 74.962 0.046 5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 52 75.549 0.135 3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 52 74.940 1.599 4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 52 72.538 0.245 5.872 1.00 0.00 H new ATOM 0 HG22 VAL A 52 72.485 1.809 5.025 1.00 0.00 H new ATOM 0 HG23 VAL A 52 71.370 0.504 4.555 1.00 0.00 H new ATOM 778 N ARG A 53 72.523 -1.059 1.243 1.00 0.00 N ATOM 779 CA ARG A 53 71.558 -1.856 0.435 1.00 0.00 C ATOM 780 C ARG A 53 72.202 -3.160 -0.033 1.00 0.00 C ATOM 781 O ARG A 53 73.390 -3.363 0.106 1.00 0.00 O ATOM 782 CB ARG A 53 71.212 -0.969 -0.761 1.00 0.00 C ATOM 783 CG ARG A 53 69.692 -0.861 -0.896 1.00 0.00 C ATOM 784 CD ARG A 53 69.321 -0.708 -2.372 1.00 0.00 C ATOM 785 NE ARG A 53 68.014 -1.409 -2.513 1.00 0.00 N ATOM 786 CZ ARG A 53 67.675 -1.933 -3.659 1.00 0.00 C ATOM 787 NH1 ARG A 53 68.288 -2.999 -4.097 1.00 0.00 N ATOM 788 NH2 ARG A 53 66.723 -1.391 -4.367 1.00 0.00 N ATOM 0 H ARG A 53 73.435 -1.493 1.386 1.00 0.00 H new ATOM 0 HA ARG A 53 70.673 -2.131 1.009 1.00 0.00 H new ATOM 0 HB2 ARG A 53 71.647 0.022 -0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 53 71.640 -1.387 -1.672 1.00 0.00 H new ATOM 0 HG2 ARG A 53 69.215 -1.749 -0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 53 69.325 -0.006 -0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 53 69.238 0.342 -2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 53 70.079 -1.151 -3.018 1.00 0.00 H new ATOM 0 HE ARG A 53 67.384 -1.479 -1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 53 69.032 -3.423 -3.543 1.00 0.00 H new ATOM 0 HH12 ARG A 53 68.023 -3.408 -4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.244 -0.558 -4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 53 66.458 -1.800 -5.263 1.00 0.00 H new ATOM 802 N THR A 54 71.421 -4.048 -0.581 1.00 0.00 N ATOM 803 CA THR A 54 71.973 -5.338 -1.052 1.00 0.00 C ATOM 804 C THR A 54 72.172 -5.306 -2.570 1.00 0.00 C ATOM 805 O THR A 54 71.648 -4.455 -3.259 1.00 0.00 O ATOM 806 CB THR A 54 70.900 -6.352 -0.676 1.00 0.00 C ATOM 807 OG1 THR A 54 69.766 -6.172 -1.513 1.00 0.00 O ATOM 808 CG2 THR A 54 70.495 -6.152 0.785 1.00 0.00 C ATOM 0 H THR A 54 70.418 -3.930 -0.722 1.00 0.00 H new ATOM 0 HA THR A 54 72.944 -5.571 -0.615 1.00 0.00 H new ATOM 0 HB THR A 54 71.292 -7.361 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.076 -6.825 -1.273 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.727 -6.878 1.052 1.00 0.00 H new ATOM 0 HG22 THR A 54 71.365 -6.291 1.426 1.00 0.00 H new ATOM 0 HG23 THR A 54 70.103 -5.144 0.919 1.00 0.00 H new ATOM 816 N GLY A 55 72.923 -6.234 -3.090 1.00 0.00 N ATOM 817 CA GLY A 55 73.158 -6.273 -4.560 1.00 0.00 C ATOM 818 C GLY A 55 72.993 -7.713 -5.052 1.00 0.00 C ATOM 819 O GLY A 55 73.465 -8.648 -4.433 1.00 0.00 O ATOM 0 H GLY A 55 73.387 -6.971 -2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.454 -5.617 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 55 74.159 -5.908 -4.791 1.00 0.00 H new ATOM 823 N THR A 56 72.328 -7.899 -6.154 1.00 0.00 N ATOM 824 CA THR A 56 72.136 -9.281 -6.684 1.00 0.00 C ATOM 825 C THR A 56 71.309 -10.118 -5.700 1.00 0.00 C ATOM 826 O THR A 56 70.340 -9.650 -5.136 1.00 0.00 O ATOM 827 CB THR A 56 73.550 -9.847 -6.822 1.00 0.00 C ATOM 828 OG1 THR A 56 74.464 -8.783 -7.043 1.00 0.00 O ATOM 829 CG2 THR A 56 73.601 -10.819 -8.002 1.00 0.00 C ATOM 0 H THR A 56 71.908 -7.157 -6.713 1.00 0.00 H new ATOM 0 HA THR A 56 71.598 -9.292 -7.632 1.00 0.00 H new ATOM 0 HB THR A 56 73.820 -10.376 -5.908 1.00 0.00 H new ATOM 0 HG1 THR A 56 75.288 -9.136 -7.440 1.00 0.00 H new ATOM 0 HG21 THR A 56 74.609 -11.221 -8.099 1.00 0.00 H new ATOM 0 HG22 THR A 56 72.899 -11.636 -7.831 1.00 0.00 H new ATOM 0 HG23 THR A 56 73.331 -10.294 -8.918 1.00 0.00 H new ATOM 837 N ASN A 57 71.680 -11.354 -5.494 1.00 0.00 N ATOM 838 CA ASN A 57 70.910 -12.215 -4.551 1.00 0.00 C ATOM 839 C ASN A 57 71.746 -12.529 -3.305 1.00 0.00 C ATOM 840 O ASN A 57 72.595 -13.399 -3.321 1.00 0.00 O ATOM 841 CB ASN A 57 70.614 -13.495 -5.335 1.00 0.00 C ATOM 842 CG ASN A 57 69.304 -13.332 -6.108 1.00 0.00 C ATOM 843 OD1 ASN A 57 68.838 -12.228 -6.309 1.00 0.00 O ATOM 844 ND2 ASN A 57 68.686 -14.391 -6.553 1.00 0.00 N ATOM 0 H ASN A 57 72.481 -11.803 -5.937 1.00 0.00 H new ATOM 0 HA ASN A 57 69.999 -11.728 -4.203 1.00 0.00 H new ATOM 0 HB2 ASN A 57 71.431 -13.708 -6.025 1.00 0.00 H new ATOM 0 HB3 ASN A 57 70.543 -14.343 -4.653 1.00 0.00 H new ATOM 0 HD21 ASN A 57 67.812 -14.292 -7.069 1.00 0.00 H new ATOM 0 HD22 ASN A 57 69.077 -15.318 -6.385 1.00 0.00 H new ATOM 851 N ARG A 58 71.506 -11.827 -2.230 1.00 0.00 N ATOM 852 CA ARG A 58 72.274 -12.074 -0.971 1.00 0.00 C ATOM 853 C ARG A 58 73.744 -12.379 -1.275 1.00 0.00 C ATOM 854 O ARG A 58 74.410 -13.067 -0.528 1.00 0.00 O ATOM 855 CB ARG A 58 71.596 -13.282 -0.323 1.00 0.00 C ATOM 856 CG ARG A 58 71.906 -14.543 -1.132 1.00 0.00 C ATOM 857 CD ARG A 58 71.512 -15.779 -0.320 1.00 0.00 C ATOM 858 NE ARG A 58 70.842 -16.682 -1.296 1.00 0.00 N ATOM 859 CZ ARG A 58 71.523 -17.627 -1.885 1.00 0.00 C ATOM 860 NH1 ARG A 58 72.289 -17.343 -2.903 1.00 0.00 N ATOM 861 NH2 ARG A 58 71.437 -18.857 -1.455 1.00 0.00 N ATOM 0 H ARG A 58 70.806 -11.087 -2.168 1.00 0.00 H new ATOM 0 HA ARG A 58 72.271 -11.201 -0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 58 71.946 -13.401 0.702 1.00 0.00 H new ATOM 0 HB3 ARG A 58 70.518 -13.124 -0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 58 71.361 -14.526 -2.076 1.00 0.00 H new ATOM 0 HG3 ARG A 58 72.967 -14.579 -1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 58 72.386 -16.256 0.123 1.00 0.00 H new ATOM 0 HD3 ARG A 58 70.843 -15.516 0.499 1.00 0.00 H new ATOM 0 HE ARG A 58 69.851 -16.562 -1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 58 72.356 -16.382 -3.239 1.00 0.00 H new ATOM 0 HH12 ARG A 58 72.821 -18.082 -3.363 1.00 0.00 H new ATOM 0 HH21 ARG A 58 70.838 -19.078 -0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 58 71.969 -19.596 -1.915 1.00 0.00 H new ATOM 875 N LYS A 59 74.258 -11.870 -2.361 1.00 0.00 N ATOM 876 CA LYS A 59 75.687 -12.134 -2.699 1.00 0.00 C ATOM 877 C LYS A 59 76.410 -10.820 -3.011 1.00 0.00 C ATOM 878 O LYS A 59 77.608 -10.792 -3.217 1.00 0.00 O ATOM 879 CB LYS A 59 75.643 -13.031 -3.937 1.00 0.00 C ATOM 880 CG LYS A 59 77.044 -13.575 -4.224 1.00 0.00 C ATOM 881 CD LYS A 59 77.002 -15.102 -4.265 1.00 0.00 C ATOM 882 CE LYS A 59 77.108 -15.579 -5.716 1.00 0.00 C ATOM 883 NZ LYS A 59 76.942 -17.058 -5.647 1.00 0.00 N ATOM 0 H LYS A 59 73.753 -11.285 -3.027 1.00 0.00 H new ATOM 0 HA LYS A 59 76.226 -12.603 -1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.947 -13.855 -3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 59 75.278 -12.467 -4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 59 77.409 -13.185 -5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.740 -13.241 -3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 59 77.821 -15.515 -3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 59 76.075 -15.463 -3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 59 76.338 -15.124 -6.339 1.00 0.00 H new ATOM 0 HE3 LYS A 59 78.070 -15.309 -6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 77.003 -17.459 -6.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 77.693 -17.464 -5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 76.014 -17.284 -5.235 1.00 0.00 H new ATOM 897 N PHE A 60 75.691 -9.735 -3.045 1.00 0.00 N ATOM 898 CA PHE A 60 76.322 -8.418 -3.342 1.00 0.00 C ATOM 899 C PHE A 60 75.731 -7.351 -2.416 1.00 0.00 C ATOM 900 O PHE A 60 75.039 -7.661 -1.466 1.00 0.00 O ATOM 901 CB PHE A 60 75.950 -8.134 -4.795 1.00 0.00 C ATOM 902 CG PHE A 60 77.171 -7.748 -5.587 1.00 0.00 C ATOM 903 CD1 PHE A 60 78.043 -8.733 -6.057 1.00 0.00 C ATOM 904 CD2 PHE A 60 77.418 -6.400 -5.863 1.00 0.00 C ATOM 905 CE1 PHE A 60 79.167 -8.368 -6.803 1.00 0.00 C ATOM 906 CE2 PHE A 60 78.539 -6.034 -6.609 1.00 0.00 C ATOM 907 CZ PHE A 60 79.417 -7.018 -7.081 1.00 0.00 C ATOM 0 H PHE A 60 74.685 -9.702 -2.879 1.00 0.00 H new ATOM 0 HA PHE A 60 77.401 -8.417 -3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.487 -9.016 -5.237 1.00 0.00 H new ATOM 0 HB3 PHE A 60 75.213 -7.332 -4.838 1.00 0.00 H new ATOM 0 HD1 PHE A 60 77.849 -9.774 -5.844 1.00 0.00 H new ATOM 0 HD2 PHE A 60 76.741 -5.642 -5.499 1.00 0.00 H new ATOM 0 HE1 PHE A 60 79.844 -9.128 -7.166 1.00 0.00 H new ATOM 0 HE2 PHE A 60 78.730 -4.993 -6.822 1.00 0.00 H new ATOM 0 HZ PHE A 60 80.285 -6.736 -7.658 1.00 0.00 H new ATOM 917 N GLY A 61 75.988 -6.099 -2.679 1.00 0.00 N ATOM 918 CA GLY A 61 75.425 -5.033 -1.798 1.00 0.00 C ATOM 919 C GLY A 61 75.711 -3.646 -2.383 1.00 0.00 C ATOM 920 O GLY A 61 76.327 -3.510 -3.419 1.00 0.00 O ATOM 0 H GLY A 61 76.558 -5.769 -3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.350 -5.173 -1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.859 -5.110 -0.801 1.00 0.00 H new ATOM 924 N TYR A 62 75.260 -2.616 -1.714 1.00 0.00 N ATOM 925 CA TYR A 62 75.491 -1.224 -2.207 1.00 0.00 C ATOM 926 C TYR A 62 75.450 -0.258 -1.030 1.00 0.00 C ATOM 927 O TYR A 62 74.883 -0.550 0.004 1.00 0.00 O ATOM 928 CB TYR A 62 74.346 -0.958 -3.188 1.00 0.00 C ATOM 929 CG TYR A 62 74.200 0.525 -3.426 1.00 0.00 C ATOM 930 CD1 TYR A 62 73.374 1.289 -2.594 1.00 0.00 C ATOM 931 CD2 TYR A 62 74.879 1.134 -4.489 1.00 0.00 C ATOM 932 CE1 TYR A 62 73.229 2.662 -2.820 1.00 0.00 C ATOM 933 CE2 TYR A 62 74.733 2.508 -4.716 1.00 0.00 C ATOM 934 CZ TYR A 62 73.908 3.272 -3.882 1.00 0.00 C ATOM 935 OH TYR A 62 73.761 4.624 -4.107 1.00 0.00 O ATOM 0 H TYR A 62 74.737 -2.680 -0.840 1.00 0.00 H new ATOM 0 HA TYR A 62 76.460 -1.095 -2.689 1.00 0.00 H new ATOM 0 HB2 TYR A 62 74.540 -1.468 -4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.415 -1.364 -2.791 1.00 0.00 H new ATOM 0 HD1 TYR A 62 72.848 0.818 -1.777 1.00 0.00 H new ATOM 0 HD2 TYR A 62 75.515 0.544 -5.133 1.00 0.00 H new ATOM 0 HE1 TYR A 62 72.594 3.251 -2.176 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.257 2.979 -5.535 1.00 0.00 H new ATOM 0 HH TYR A 62 73.431 5.057 -3.292 1.00 0.00 H new ATOM 945 N VAL A 63 76.072 0.880 -1.161 1.00 0.00 N ATOM 946 CA VAL A 63 76.087 1.833 -0.024 1.00 0.00 C ATOM 947 C VAL A 63 76.376 3.259 -0.506 1.00 0.00 C ATOM 948 O VAL A 63 76.838 3.474 -1.609 1.00 0.00 O ATOM 949 CB VAL A 63 77.229 1.327 0.855 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.620 2.406 1.851 1.00 0.00 C ATOM 951 CG2 VAL A 63 76.795 0.070 1.610 1.00 0.00 C ATOM 0 H VAL A 63 76.566 1.187 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 63 75.131 1.878 0.498 1.00 0.00 H new ATOM 0 HB VAL A 63 78.083 1.085 0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.435 2.044 2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.944 3.297 1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.762 2.651 2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 63 77.617 -0.282 2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 63 75.936 0.302 2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 63 76.522 -0.707 0.896 1.00 0.00 H new ATOM 961 N ASP A 64 76.110 4.230 0.324 1.00 0.00 N ATOM 962 CA ASP A 64 76.365 5.642 -0.051 1.00 0.00 C ATOM 963 C ASP A 64 77.157 6.330 1.062 1.00 0.00 C ATOM 964 O ASP A 64 76.911 6.111 2.233 1.00 0.00 O ATOM 965 CB ASP A 64 74.979 6.266 -0.175 1.00 0.00 C ATOM 966 CG ASP A 64 74.066 5.335 -0.973 1.00 0.00 C ATOM 967 OD1 ASP A 64 74.582 4.585 -1.783 1.00 0.00 O ATOM 968 OD2 ASP A 64 72.866 5.388 -0.761 1.00 0.00 O ATOM 0 H ASP A 64 75.722 4.099 1.258 1.00 0.00 H new ATOM 0 HA ASP A 64 76.941 5.737 -0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.559 6.443 0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 64 75.048 7.235 -0.669 1.00 0.00 H new ATOM 973 N PHE A 65 78.102 7.155 0.713 1.00 0.00 N ATOM 974 CA PHE A 65 78.905 7.847 1.762 1.00 0.00 C ATOM 975 C PHE A 65 78.445 9.297 1.911 1.00 0.00 C ATOM 976 O PHE A 65 77.540 9.743 1.235 1.00 0.00 O ATOM 977 CB PHE A 65 80.348 7.774 1.266 1.00 0.00 C ATOM 978 CG PHE A 65 80.824 6.346 1.372 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.624 5.634 2.561 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.452 5.731 0.285 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.054 4.307 2.663 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.880 4.402 0.385 1.00 0.00 C ATOM 983 CZ PHE A 65 81.682 3.691 1.575 1.00 0.00 C ATOM 0 H PHE A 65 78.354 7.381 -0.249 1.00 0.00 H new ATOM 0 HA PHE A 65 78.794 7.386 2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.411 8.118 0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.985 8.430 1.859 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.137 6.110 3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.607 6.281 -0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 65 80.901 3.758 3.581 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.363 3.925 -0.455 1.00 0.00 H new ATOM 0 HZ PHE A 65 82.014 2.666 1.653 1.00 0.00 H new ATOM 993 N GLU A 66 79.050 10.035 2.802 1.00 0.00 N ATOM 994 CA GLU A 66 78.626 11.450 2.995 1.00 0.00 C ATOM 995 C GLU A 66 79.727 12.415 2.557 1.00 0.00 C ATOM 996 O GLU A 66 79.595 13.616 2.675 1.00 0.00 O ATOM 997 CB GLU A 66 78.351 11.585 4.496 1.00 0.00 C ATOM 998 CG GLU A 66 79.666 11.541 5.277 1.00 0.00 C ATOM 999 CD GLU A 66 79.468 12.198 6.645 1.00 0.00 C ATOM 1000 OE1 GLU A 66 78.329 12.309 7.067 1.00 0.00 O ATOM 1001 OE2 GLU A 66 80.459 12.577 7.246 1.00 0.00 O ATOM 0 H GLU A 66 79.814 9.722 3.401 1.00 0.00 H new ATOM 0 HA GLU A 66 77.749 11.695 2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.832 12.522 4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 66 77.695 10.780 4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 66 79.993 10.509 5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 66 80.448 12.059 4.722 1.00 0.00 H new ATOM 1008 N SER A 67 80.808 11.902 2.052 1.00 0.00 N ATOM 1009 CA SER A 67 81.912 12.806 1.607 1.00 0.00 C ATOM 1010 C SER A 67 82.927 12.091 0.735 1.00 0.00 C ATOM 1011 O SER A 67 82.876 10.895 0.516 1.00 0.00 O ATOM 1012 CB SER A 67 82.604 13.275 2.880 1.00 0.00 C ATOM 1013 OG SER A 67 83.017 12.143 3.633 1.00 0.00 O ATOM 0 H SER A 67 80.980 10.905 1.926 1.00 0.00 H new ATOM 0 HA SER A 67 81.503 13.623 1.013 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.465 13.896 2.632 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.926 13.892 3.470 1.00 0.00 H new ATOM 0 HG SER A 67 82.318 11.906 4.277 1.00 0.00 H new ATOM 1019 N ALA A 68 83.882 12.841 0.282 1.00 0.00 N ATOM 1020 CA ALA A 68 84.973 12.275 -0.542 1.00 0.00 C ATOM 1021 C ALA A 68 85.939 11.583 0.396 1.00 0.00 C ATOM 1022 O ALA A 68 86.677 10.690 0.028 1.00 0.00 O ATOM 1023 CB ALA A 68 85.643 13.492 -1.162 1.00 0.00 C ATOM 0 H ALA A 68 83.953 13.844 0.452 1.00 0.00 H new ATOM 0 HA ALA A 68 84.638 11.563 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.470 13.169 -1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.918 14.039 -1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 68 86.022 14.141 -0.372 1.00 0.00 H new ATOM 1029 N GLU A 69 85.922 12.016 1.619 1.00 0.00 N ATOM 1030 CA GLU A 69 86.815 11.432 2.639 1.00 0.00 C ATOM 1031 C GLU A 69 86.267 10.076 3.083 1.00 0.00 C ATOM 1032 O GLU A 69 87.004 9.195 3.480 1.00 0.00 O ATOM 1033 CB GLU A 69 86.774 12.452 3.767 1.00 0.00 C ATOM 1034 CG GLU A 69 88.191 12.706 4.274 1.00 0.00 C ATOM 1035 CD GLU A 69 88.299 12.277 5.739 1.00 0.00 C ATOM 1036 OE1 GLU A 69 87.403 11.591 6.202 1.00 0.00 O ATOM 1037 OE2 GLU A 69 89.275 12.643 6.372 1.00 0.00 O ATOM 0 H GLU A 69 85.315 12.763 1.958 1.00 0.00 H new ATOM 0 HA GLU A 69 87.831 11.248 2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.330 13.383 3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.145 12.087 4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.909 12.152 3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.439 13.763 4.175 1.00 0.00 H new ATOM 1044 N ASP A 70 84.979 9.889 2.982 1.00 0.00 N ATOM 1045 CA ASP A 70 84.391 8.582 3.361 1.00 0.00 C ATOM 1046 C ASP A 70 84.472 7.666 2.151 1.00 0.00 C ATOM 1047 O ASP A 70 84.548 6.459 2.265 1.00 0.00 O ATOM 1048 CB ASP A 70 82.935 8.880 3.718 1.00 0.00 C ATOM 1049 CG ASP A 70 82.884 9.733 4.983 1.00 0.00 C ATOM 1050 OD1 ASP A 70 83.697 9.504 5.864 1.00 0.00 O ATOM 1051 OD2 ASP A 70 82.032 10.602 5.051 1.00 0.00 O ATOM 0 H ASP A 70 84.312 10.587 2.653 1.00 0.00 H new ATOM 0 HA ASP A 70 84.903 8.100 4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.447 9.402 2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.390 7.949 3.872 1.00 0.00 H new ATOM 1056 N LEU A 71 84.470 8.248 0.984 1.00 0.00 N ATOM 1057 CA LEU A 71 84.562 7.434 -0.250 1.00 0.00 C ATOM 1058 C LEU A 71 86.007 6.976 -0.458 1.00 0.00 C ATOM 1059 O LEU A 71 86.265 5.884 -0.925 1.00 0.00 O ATOM 1060 CB LEU A 71 84.125 8.369 -1.378 1.00 0.00 C ATOM 1061 CG LEU A 71 84.504 7.753 -2.726 1.00 0.00 C ATOM 1062 CD1 LEU A 71 83.253 7.627 -3.597 1.00 0.00 C ATOM 1063 CD2 LEU A 71 85.525 8.653 -3.426 1.00 0.00 C ATOM 0 H LEU A 71 84.408 9.255 0.836 1.00 0.00 H new ATOM 0 HA LEU A 71 83.942 6.538 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 71 83.049 8.534 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.602 9.342 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 71 84.937 6.765 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 71 83.521 7.188 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 71 82.525 6.988 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 71 82.820 8.615 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 71 85.797 8.216 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 71 85.091 9.640 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 71 86.416 8.745 -2.804 1.00 0.00 H new ATOM 1075 N GLU A 72 86.952 7.806 -0.106 1.00 0.00 N ATOM 1076 CA GLU A 72 88.384 7.427 -0.274 1.00 0.00 C ATOM 1077 C GLU A 72 88.821 6.514 0.874 1.00 0.00 C ATOM 1078 O GLU A 72 89.633 5.624 0.702 1.00 0.00 O ATOM 1079 CB GLU A 72 89.153 8.749 -0.231 1.00 0.00 C ATOM 1080 CG GLU A 72 90.559 8.541 -0.798 1.00 0.00 C ATOM 1081 CD GLU A 72 90.864 9.637 -1.819 1.00 0.00 C ATOM 1082 OE1 GLU A 72 91.320 10.692 -1.409 1.00 0.00 O ATOM 1083 OE2 GLU A 72 90.637 9.404 -2.995 1.00 0.00 O ATOM 0 H GLU A 72 86.793 8.732 0.291 1.00 0.00 H new ATOM 0 HA GLU A 72 88.564 6.884 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.625 9.508 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.213 9.114 0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 72 91.294 8.564 0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 72 90.632 7.560 -1.268 1.00 0.00 H new ATOM 1090 N LYS A 73 88.265 6.705 2.041 1.00 0.00 N ATOM 1091 CA LYS A 73 88.628 5.833 3.181 1.00 0.00 C ATOM 1092 C LYS A 73 87.834 4.549 3.043 1.00 0.00 C ATOM 1093 O LYS A 73 88.225 3.500 3.512 1.00 0.00 O ATOM 1094 CB LYS A 73 88.210 6.603 4.434 1.00 0.00 C ATOM 1095 CG LYS A 73 89.143 6.239 5.591 1.00 0.00 C ATOM 1096 CD LYS A 73 88.779 7.071 6.822 1.00 0.00 C ATOM 1097 CE LYS A 73 89.179 8.530 6.588 1.00 0.00 C ATOM 1098 NZ LYS A 73 87.951 9.318 6.887 1.00 0.00 N ATOM 0 H LYS A 73 87.576 7.428 2.248 1.00 0.00 H new ATOM 0 HA LYS A 73 89.688 5.583 3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 73 88.249 7.676 4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 73 87.179 6.363 4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 73 89.059 5.177 5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 73 90.179 6.423 5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 73 87.709 7.003 7.017 1.00 0.00 H new ATOM 0 HD3 LYS A 73 89.289 6.680 7.702 1.00 0.00 H new ATOM 0 HE2 LYS A 73 90.004 8.822 7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 73 89.510 8.689 5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 87.781 10.001 6.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 87.137 8.676 6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 88.076 9.829 7.784 1.00 0.00 H new ATOM 1112 N ALA A 74 86.719 4.631 2.374 1.00 0.00 N ATOM 1113 CA ALA A 74 85.895 3.424 2.171 1.00 0.00 C ATOM 1114 C ALA A 74 86.506 2.588 1.049 1.00 0.00 C ATOM 1115 O ALA A 74 86.365 1.382 1.006 1.00 0.00 O ATOM 1116 CB ALA A 74 84.512 3.935 1.783 1.00 0.00 C ATOM 0 H ALA A 74 86.348 5.487 1.961 1.00 0.00 H new ATOM 0 HA ALA A 74 85.841 2.793 3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.845 3.089 1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 74 84.116 4.557 2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.585 4.525 0.869 1.00 0.00 H new ATOM 1122 N LEU A 75 87.210 3.226 0.150 1.00 0.00 N ATOM 1123 CA LEU A 75 87.859 2.477 -0.956 1.00 0.00 C ATOM 1124 C LEU A 75 89.046 1.714 -0.380 1.00 0.00 C ATOM 1125 O LEU A 75 89.230 0.541 -0.634 1.00 0.00 O ATOM 1126 CB LEU A 75 88.328 3.543 -1.948 1.00 0.00 C ATOM 1127 CG LEU A 75 88.752 2.873 -3.255 1.00 0.00 C ATOM 1128 CD1 LEU A 75 88.835 3.922 -4.365 1.00 0.00 C ATOM 1129 CD2 LEU A 75 90.122 2.219 -3.070 1.00 0.00 C ATOM 0 H LEU A 75 87.361 4.235 0.138 1.00 0.00 H new ATOM 0 HA LEU A 75 87.196 1.761 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.526 4.257 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.162 4.104 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 75 88.019 2.114 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 75 89.137 3.443 -5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 75 87.859 4.390 -4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 75 89.568 4.682 -4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 75 90.426 1.741 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 75 90.854 2.979 -2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 75 90.064 1.470 -2.280 1.00 0.00 H new ATOM 1141 N GLU A 76 89.837 2.373 0.423 1.00 0.00 N ATOM 1142 CA GLU A 76 90.993 1.682 1.046 1.00 0.00 C ATOM 1143 C GLU A 76 90.473 0.726 2.119 1.00 0.00 C ATOM 1144 O GLU A 76 91.146 -0.198 2.530 1.00 0.00 O ATOM 1145 CB GLU A 76 91.831 2.791 1.678 1.00 0.00 C ATOM 1146 CG GLU A 76 93.181 2.882 0.964 1.00 0.00 C ATOM 1147 CD GLU A 76 94.244 3.378 1.947 1.00 0.00 C ATOM 1148 OE1 GLU A 76 94.685 2.584 2.762 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.599 4.543 1.869 1.00 0.00 O ATOM 0 H GLU A 76 89.730 3.356 0.672 1.00 0.00 H new ATOM 0 HA GLU A 76 91.578 1.101 0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 76 91.306 3.743 1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.982 2.588 2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.462 1.906 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.110 3.561 0.114 1.00 0.00 H new ATOM 1156 N LEU A 77 89.266 0.949 2.565 1.00 0.00 N ATOM 1157 CA LEU A 77 88.670 0.065 3.604 1.00 0.00 C ATOM 1158 C LEU A 77 88.538 -1.359 3.064 1.00 0.00 C ATOM 1159 O LEU A 77 88.255 -2.283 3.798 1.00 0.00 O ATOM 1160 CB LEU A 77 87.284 0.660 3.871 1.00 0.00 C ATOM 1161 CG LEU A 77 87.120 0.963 5.363 1.00 0.00 C ATOM 1162 CD1 LEU A 77 87.643 -0.211 6.190 1.00 0.00 C ATOM 1163 CD2 LEU A 77 87.906 2.228 5.714 1.00 0.00 C ATOM 0 H LEU A 77 88.665 1.711 2.251 1.00 0.00 H new ATOM 0 HA LEU A 77 89.278 0.013 4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 77 87.154 1.573 3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 77 86.512 -0.037 3.547 1.00 0.00 H new ATOM 0 HG LEU A 77 86.064 1.116 5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 77 87.524 0.010 7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 77 87.080 -1.111 5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 77 88.698 -0.370 5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 77 87.790 2.445 6.776 1.00 0.00 H new ATOM 0 HD22 LEU A 77 88.961 2.075 5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 77 87.527 3.066 5.129 1.00 0.00 H new ATOM 1175 N THR A 78 88.732 -1.538 1.782 1.00 0.00 N ATOM 1176 CA THR A 78 88.608 -2.900 1.181 1.00 0.00 C ATOM 1177 C THR A 78 89.192 -3.956 2.103 1.00 0.00 C ATOM 1178 O THR A 78 88.776 -5.097 2.114 1.00 0.00 O ATOM 1179 CB THR A 78 89.385 -2.835 -0.136 1.00 0.00 C ATOM 1180 OG1 THR A 78 88.674 -2.029 -1.063 1.00 0.00 O ATOM 1181 CG2 THR A 78 89.549 -4.246 -0.703 1.00 0.00 C ATOM 0 H THR A 78 88.972 -0.797 1.124 1.00 0.00 H new ATOM 0 HA THR A 78 87.566 -3.177 1.022 1.00 0.00 H new ATOM 0 HB THR A 78 90.369 -2.401 0.042 1.00 0.00 H new ATOM 0 HG1 THR A 78 88.804 -1.083 -0.841 1.00 0.00 H new ATOM 0 HG21 THR A 78 90.102 -4.199 -1.641 1.00 0.00 H new ATOM 0 HG22 THR A 78 90.095 -4.863 0.010 1.00 0.00 H new ATOM 0 HG23 THR A 78 88.566 -4.682 -0.883 1.00 0.00 H new ATOM 1189 N GLY A 79 90.141 -3.576 2.881 1.00 0.00 N ATOM 1190 CA GLY A 79 90.764 -4.543 3.828 1.00 0.00 C ATOM 1191 C GLY A 79 89.663 -5.191 4.672 1.00 0.00 C ATOM 1192 O GLY A 79 89.841 -6.245 5.250 1.00 0.00 O ATOM 0 H GLY A 79 90.524 -2.631 2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.316 -5.306 3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.480 -4.032 4.471 1.00 0.00 H new ATOM 1196 N LEU A 80 88.525 -4.555 4.750 1.00 0.00 N ATOM 1197 CA LEU A 80 87.400 -5.099 5.552 1.00 0.00 C ATOM 1198 C LEU A 80 87.151 -6.584 5.252 1.00 0.00 C ATOM 1199 O LEU A 80 87.844 -7.203 4.470 1.00 0.00 O ATOM 1200 CB LEU A 80 86.190 -4.252 5.140 1.00 0.00 C ATOM 1201 CG LEU A 80 86.073 -4.180 3.610 1.00 0.00 C ATOM 1202 CD1 LEU A 80 85.793 -5.569 3.042 1.00 0.00 C ATOM 1203 CD2 LEU A 80 84.924 -3.240 3.238 1.00 0.00 C ATOM 0 H LEU A 80 88.328 -3.669 4.284 1.00 0.00 H new ATOM 0 HA LEU A 80 87.606 -5.047 6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 80 85.280 -4.681 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 80 86.287 -3.247 5.550 1.00 0.00 H new ATOM 0 HG LEU A 80 87.009 -3.806 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 80 85.712 -5.509 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 80 86.608 -6.242 3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 80 84.859 -5.950 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 80 84.836 -3.185 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 80 83.993 -3.619 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 80 85.124 -2.246 3.637 1.00 0.00 H new ATOM 1215 N LYS A 81 86.155 -7.148 5.883 1.00 0.00 N ATOM 1216 CA LYS A 81 85.818 -8.590 5.671 1.00 0.00 C ATOM 1217 C LYS A 81 84.466 -8.871 6.284 1.00 0.00 C ATOM 1218 O LYS A 81 84.301 -9.788 7.059 1.00 0.00 O ATOM 1219 CB LYS A 81 86.879 -9.360 6.410 1.00 0.00 C ATOM 1220 CG LYS A 81 87.736 -10.147 5.419 1.00 0.00 C ATOM 1221 CD LYS A 81 88.993 -10.660 6.124 1.00 0.00 C ATOM 1222 CE LYS A 81 89.889 -9.478 6.501 1.00 0.00 C ATOM 1223 NZ LYS A 81 91.262 -9.896 6.102 1.00 0.00 N ATOM 0 H LYS A 81 85.550 -6.664 6.547 1.00 0.00 H new ATOM 0 HA LYS A 81 85.782 -8.861 4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.505 -8.676 6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.416 -10.041 7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 81 87.167 -10.984 5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 81 88.012 -9.512 4.577 1.00 0.00 H new ATOM 0 HD2 LYS A 81 88.718 -11.220 7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 81 89.534 -11.346 5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 81 89.585 -8.570 5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 81 89.835 -9.266 7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 91.936 -9.137 6.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 91.526 -10.759 6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 91.284 -10.084 5.079 1.00 0.00 H new ATOM 1237 N VAL A 82 83.531 -8.057 5.915 1.00 0.00 N ATOM 1238 CA VAL A 82 82.109 -8.148 6.421 1.00 0.00 C ATOM 1239 C VAL A 82 81.978 -9.222 7.512 1.00 0.00 C ATOM 1240 O VAL A 82 82.671 -9.182 8.510 1.00 0.00 O ATOM 1241 CB VAL A 82 81.271 -8.451 5.167 1.00 0.00 C ATOM 1242 CG1 VAL A 82 81.595 -9.843 4.619 1.00 0.00 C ATOM 1243 CG2 VAL A 82 79.780 -8.357 5.511 1.00 0.00 C ATOM 0 H VAL A 82 83.683 -7.294 5.256 1.00 0.00 H new ATOM 0 HA VAL A 82 81.769 -7.232 6.903 1.00 0.00 H new ATOM 0 HB VAL A 82 81.515 -7.717 4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 82 80.990 -10.035 3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 82 82.651 -9.893 4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 82 81.374 -10.593 5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 82 79.187 -8.572 4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 82 79.540 -9.080 6.290 1.00 0.00 H new ATOM 0 HG23 VAL A 82 79.551 -7.352 5.866 1.00 0.00 H new ATOM 1253 N PHE A 83 81.127 -10.184 7.342 1.00 0.00 N ATOM 1254 CA PHE A 83 81.009 -11.255 8.372 1.00 0.00 C ATOM 1255 C PHE A 83 82.125 -12.287 8.150 1.00 0.00 C ATOM 1256 O PHE A 83 82.100 -13.376 8.691 1.00 0.00 O ATOM 1257 CB PHE A 83 79.633 -11.883 8.141 1.00 0.00 C ATOM 1258 CG PHE A 83 78.626 -11.238 9.064 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.442 -9.851 9.037 1.00 0.00 C ATOM 1260 CD2 PHE A 83 77.878 -12.027 9.947 1.00 0.00 C ATOM 1261 CE1 PHE A 83 77.510 -9.252 9.892 1.00 0.00 C ATOM 1262 CE2 PHE A 83 76.947 -11.427 10.802 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.762 -10.039 10.776 1.00 0.00 C ATOM 0 H PHE A 83 80.506 -10.281 6.538 1.00 0.00 H new ATOM 0 HA PHE A 83 81.106 -10.879 9.391 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.329 -11.749 7.103 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.676 -12.957 8.324 1.00 0.00 H new ATOM 0 HD1 PHE A 83 79.019 -9.243 8.356 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.020 -13.097 9.968 1.00 0.00 H new ATOM 0 HE1 PHE A 83 77.368 -8.182 9.870 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.370 -12.035 11.483 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.044 -9.577 11.437 1.00 0.00 H new ATOM 1273 N GLY A 84 83.104 -11.944 7.348 1.00 0.00 N ATOM 1274 CA GLY A 84 84.229 -12.878 7.066 1.00 0.00 C ATOM 1275 C GLY A 84 84.492 -12.897 5.555 1.00 0.00 C ATOM 1276 O GLY A 84 84.850 -13.913 4.992 1.00 0.00 O ATOM 0 H GLY A 84 83.168 -11.044 6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.125 -12.562 7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 84 83.985 -13.880 7.419 1.00 0.00 H new ATOM 1280 N ASN A 85 84.320 -11.776 4.899 1.00 0.00 N ATOM 1281 CA ASN A 85 84.554 -11.714 3.427 1.00 0.00 C ATOM 1282 C ASN A 85 84.801 -10.261 3.017 1.00 0.00 C ATOM 1283 O ASN A 85 83.888 -9.467 2.937 1.00 0.00 O ATOM 1284 CB ASN A 85 83.265 -12.233 2.784 1.00 0.00 C ATOM 1285 CG ASN A 85 82.935 -13.624 3.330 1.00 0.00 C ATOM 1286 OD1 ASN A 85 82.193 -13.733 4.396 1.00 0.00 O flip ATOM 1287 ND2 ASN A 85 83.358 -14.621 2.778 1.00 0.00 N flip ATOM 0 H ASN A 85 84.026 -10.897 5.325 1.00 0.00 H new ATOM 0 HA ASN A 85 85.419 -12.302 3.118 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.443 -11.547 2.991 1.00 0.00 H new ATOM 0 HB3 ASN A 85 83.380 -12.276 1.701 1.00 0.00 H new ATOM 0 HD21 ASN A 85 83.939 -14.535 1.944 1.00 0.00 H new ATOM 0 HD22 ASN A 85 83.132 -15.544 3.149 1.00 0.00 H new ATOM 1294 N GLU A 86 86.026 -9.903 2.768 1.00 0.00 N ATOM 1295 CA GLU A 86 86.324 -8.497 2.378 1.00 0.00 C ATOM 1296 C GLU A 86 85.396 -8.050 1.248 1.00 0.00 C ATOM 1297 O GLU A 86 85.691 -8.209 0.082 1.00 0.00 O ATOM 1298 CB GLU A 86 87.786 -8.526 1.944 1.00 0.00 C ATOM 1299 CG GLU A 86 88.068 -7.440 0.900 1.00 0.00 C ATOM 1300 CD GLU A 86 89.573 -7.172 0.837 1.00 0.00 C ATOM 1301 OE1 GLU A 86 90.215 -7.265 1.870 1.00 0.00 O ATOM 1302 OE2 GLU A 86 90.058 -6.881 -0.244 1.00 0.00 O ATOM 0 H GLU A 86 86.835 -10.522 2.817 1.00 0.00 H new ATOM 0 HA GLU A 86 86.163 -7.784 3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.430 -8.379 2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 86 88.027 -9.505 1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 86 87.703 -7.756 -0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 86 87.535 -6.525 1.158 1.00 0.00 H new ATOM 1309 N ILE A 87 84.273 -7.488 1.595 1.00 0.00 N ATOM 1310 CA ILE A 87 83.324 -7.025 0.548 1.00 0.00 C ATOM 1311 C ILE A 87 84.067 -6.185 -0.487 1.00 0.00 C ATOM 1312 O ILE A 87 84.911 -5.375 -0.160 1.00 0.00 O ATOM 1313 CB ILE A 87 82.277 -6.179 1.275 1.00 0.00 C ATOM 1314 CG1 ILE A 87 82.970 -5.172 2.198 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.371 -7.092 2.101 1.00 0.00 C ATOM 1316 CD1 ILE A 87 81.930 -4.206 2.772 1.00 0.00 C ATOM 0 H ILE A 87 83.972 -7.330 2.557 1.00 0.00 H new ATOM 0 HA ILE A 87 82.860 -7.859 0.021 1.00 0.00 H new ATOM 0 HB ILE A 87 81.679 -5.638 0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.481 -5.695 3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 87 83.730 -4.619 1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 87 80.624 -6.491 2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 87 80.871 -7.802 1.442 1.00 0.00 H new ATOM 0 HG23 ILE A 87 81.971 -7.635 2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 87 82.423 -3.489 3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 87 81.439 -3.674 1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 87 81.187 -4.766 3.339 1.00 0.00 H new ATOM 1328 N LYS A 88 83.755 -6.374 -1.732 1.00 0.00 N ATOM 1329 CA LYS A 88 84.431 -5.593 -2.800 1.00 0.00 C ATOM 1330 C LYS A 88 83.558 -4.406 -3.190 1.00 0.00 C ATOM 1331 O LYS A 88 82.455 -4.255 -2.708 1.00 0.00 O ATOM 1332 CB LYS A 88 84.575 -6.564 -3.973 1.00 0.00 C ATOM 1333 CG LYS A 88 86.050 -6.920 -4.166 1.00 0.00 C ATOM 1334 CD LYS A 88 86.357 -7.036 -5.661 1.00 0.00 C ATOM 1335 CE LYS A 88 87.556 -6.151 -6.007 1.00 0.00 C ATOM 1336 NZ LYS A 88 88.703 -7.094 -6.135 1.00 0.00 N ATOM 0 H LYS A 88 83.056 -7.040 -2.060 1.00 0.00 H new ATOM 0 HA LYS A 88 85.397 -5.198 -2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.994 -7.467 -3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 88 84.177 -6.113 -4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 88 86.682 -6.156 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 88 86.277 -7.860 -3.664 1.00 0.00 H new ATOM 0 HD2 LYS A 88 86.571 -8.073 -5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 88 85.488 -6.734 -6.246 1.00 0.00 H new ATOM 0 HE2 LYS A 88 87.389 -5.604 -6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 88 87.738 -5.410 -5.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 89.565 -6.562 -6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 88.842 -7.596 -5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 88.504 -7.783 -6.888 1.00 0.00 H new ATOM 1350 N LEU A 89 84.044 -3.560 -4.048 1.00 0.00 N ATOM 1351 CA LEU A 89 83.242 -2.382 -4.460 1.00 0.00 C ATOM 1352 C LEU A 89 83.025 -2.389 -5.971 1.00 0.00 C ATOM 1353 O LEU A 89 83.425 -3.299 -6.667 1.00 0.00 O ATOM 1354 CB LEU A 89 84.083 -1.178 -4.049 1.00 0.00 C ATOM 1355 CG LEU A 89 83.724 -0.760 -2.622 1.00 0.00 C ATOM 1356 CD1 LEU A 89 84.322 -1.758 -1.630 1.00 0.00 C ATOM 1357 CD2 LEU A 89 84.292 0.634 -2.342 1.00 0.00 C ATOM 0 H LEU A 89 84.964 -3.634 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 89 82.254 -2.372 -4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.143 -1.425 -4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 89 83.909 -0.349 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 89 82.640 -0.743 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 89 84.065 -1.459 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 89 83.921 -2.752 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.406 -1.775 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.037 0.933 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.376 0.614 -2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 89 83.868 1.348 -3.048 1.00 0.00 H new ATOM 1369 N GLU A 90 82.392 -1.373 -6.475 1.00 0.00 N ATOM 1370 CA GLU A 90 82.138 -1.300 -7.943 1.00 0.00 C ATOM 1371 C GLU A 90 81.544 0.062 -8.309 1.00 0.00 C ATOM 1372 O GLU A 90 80.353 0.280 -8.202 1.00 0.00 O ATOM 1373 CB GLU A 90 81.133 -2.417 -8.228 1.00 0.00 C ATOM 1374 CG GLU A 90 81.754 -3.425 -9.197 1.00 0.00 C ATOM 1375 CD GLU A 90 82.135 -4.697 -8.437 1.00 0.00 C ATOM 1376 OE1 GLU A 90 81.570 -4.923 -7.380 1.00 0.00 O ATOM 1377 OE2 GLU A 90 82.985 -5.423 -8.926 1.00 0.00 O ATOM 0 H GLU A 90 82.036 -0.584 -5.935 1.00 0.00 H new ATOM 0 HA GLU A 90 83.052 -1.416 -8.526 1.00 0.00 H new ATOM 0 HB2 GLU A 90 80.852 -2.914 -7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 90 80.221 -2.000 -8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 90 81.048 -3.662 -9.993 1.00 0.00 H new ATOM 0 HG3 GLU A 90 82.636 -2.994 -9.671 1.00 0.00 H new