USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=13 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 Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -110:sc= -3.49! USER MOD Single : A 19 ASN : amide:sc= 0.672 K(o=0.67,f=-0.012) USER MOD Single : A 24 ASN : amide:sc= 0.19 K(o=0.19,f=-3.2!) USER MOD Single : A 26 ASN : amide:sc= -7.67! C(o=-7.7!,f=-27!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -144:sc= -0.756 (180deg=-1.64!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 154:sc= 0.448 (180deg=-2.61!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= -0.0733 (180deg=-0.139) USER MOD Single : A 45 ASN : amide:sc= -2.82! K(o=-2.8!,f=-1.9) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 123:sc= -1.71! USER MOD Single : A 57 ASN : amide:sc=-0.00846 K(o=-0.0085,f=-0.56) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -84:sc= 0.714 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0707! USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= 0.101 (180deg=-0.442!) USER MOD Single : A 78 THR OG1 : rot 94:sc= -0.756 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.72) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.059 8.003 -2.517 1.00 0.00 N ATOM 191 CA THR A 15 69.565 9.004 -1.528 1.00 0.00 C ATOM 192 C THR A 15 70.705 9.939 -1.119 1.00 0.00 C ATOM 193 O THR A 15 70.494 10.968 -0.509 1.00 0.00 O ATOM 194 CB THR A 15 69.078 8.167 -0.335 1.00 0.00 C ATOM 195 OG1 THR A 15 68.061 8.878 0.355 1.00 0.00 O ATOM 196 CG2 THR A 15 70.237 7.871 0.626 1.00 0.00 C ATOM 0 HA THR A 15 68.771 9.636 -1.926 1.00 0.00 H new ATOM 0 HB THR A 15 68.683 7.222 -0.707 1.00 0.00 H new ATOM 0 HG1 THR A 15 67.748 8.345 1.116 1.00 0.00 H new ATOM 0 HG21 THR A 15 69.872 7.277 1.464 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.014 7.316 0.099 1.00 0.00 H new ATOM 0 HG23 THR A 15 70.650 8.809 0.998 1.00 0.00 H new ATOM 204 N THR A 16 71.909 9.572 -1.441 1.00 0.00 N ATOM 205 CA THR A 16 73.076 10.421 -1.066 1.00 0.00 C ATOM 206 C THR A 16 73.905 10.777 -2.302 1.00 0.00 C ATOM 207 O THR A 16 73.660 10.277 -3.382 1.00 0.00 O ATOM 208 CB THR A 16 73.893 9.560 -0.101 1.00 0.00 C ATOM 209 OG1 THR A 16 73.265 8.295 0.062 1.00 0.00 O ATOM 210 CG2 THR A 16 73.979 10.259 1.252 1.00 0.00 C ATOM 0 H THR A 16 72.140 8.718 -1.949 1.00 0.00 H new ATOM 0 HA THR A 16 72.768 11.365 -0.616 1.00 0.00 H new ATOM 0 HB THR A 16 74.895 9.417 -0.505 1.00 0.00 H new ATOM 0 HG1 THR A 16 72.893 8.228 0.966 1.00 0.00 H new ATOM 0 HG21 THR A 16 74.561 9.647 1.941 1.00 0.00 H new ATOM 0 HG22 THR A 16 74.462 11.228 1.131 1.00 0.00 H new ATOM 0 HG23 THR A 16 72.975 10.402 1.652 1.00 0.00 H new ATOM 218 N PRO A 17 74.864 11.639 -2.094 1.00 0.00 N ATOM 219 CA PRO A 17 75.746 12.081 -3.199 1.00 0.00 C ATOM 220 C PRO A 17 76.799 11.012 -3.507 1.00 0.00 C ATOM 221 O PRO A 17 77.030 10.670 -4.649 1.00 0.00 O ATOM 222 CB PRO A 17 76.401 13.343 -2.650 1.00 0.00 C ATOM 223 CG PRO A 17 76.360 13.195 -1.160 1.00 0.00 C ATOM 224 CD PRO A 17 75.207 12.282 -0.822 1.00 0.00 C ATOM 0 HA PRO A 17 75.209 12.254 -4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 17 77.426 13.441 -3.007 1.00 0.00 H new ATOM 0 HB3 PRO A 17 75.865 14.236 -2.971 1.00 0.00 H new ATOM 0 HG2 PRO A 17 77.298 12.780 -0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 17 76.232 14.166 -0.682 1.00 0.00 H new ATOM 0 HD2 PRO A 17 75.490 11.547 -0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 17 74.362 12.841 -0.419 1.00 0.00 H new ATOM 232 N PHE A 18 77.443 10.485 -2.500 1.00 0.00 N ATOM 233 CA PHE A 18 78.478 9.445 -2.746 1.00 0.00 C ATOM 234 C PHE A 18 77.835 8.060 -2.789 1.00 0.00 C ATOM 235 O PHE A 18 77.376 7.546 -1.791 1.00 0.00 O ATOM 236 CB PHE A 18 79.439 9.549 -1.563 1.00 0.00 C ATOM 237 CG PHE A 18 80.065 10.922 -1.541 1.00 0.00 C ATOM 238 CD1 PHE A 18 80.853 11.349 -2.616 1.00 0.00 C ATOM 239 CD2 PHE A 18 79.856 11.768 -0.445 1.00 0.00 C ATOM 240 CE1 PHE A 18 81.434 12.622 -2.595 1.00 0.00 C ATOM 241 CE2 PHE A 18 80.437 13.041 -0.424 1.00 0.00 C ATOM 242 CZ PHE A 18 81.226 13.469 -1.499 1.00 0.00 C ATOM 0 H PHE A 18 77.296 10.730 -1.521 1.00 0.00 H new ATOM 0 HA PHE A 18 78.987 9.591 -3.699 1.00 0.00 H new ATOM 0 HB2 PHE A 18 78.905 9.366 -0.630 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.213 8.786 -1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 18 81.013 10.696 -3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 18 79.247 11.438 0.384 1.00 0.00 H new ATOM 0 HE1 PHE A 18 82.043 12.951 -3.424 1.00 0.00 H new ATOM 0 HE2 PHE A 18 80.277 13.694 0.422 1.00 0.00 H new ATOM 0 HZ PHE A 18 81.674 14.452 -1.483 1.00 0.00 H new ATOM 252 N ASN A 19 77.808 7.451 -3.938 1.00 0.00 N ATOM 253 CA ASN A 19 77.210 6.096 -4.055 1.00 0.00 C ATOM 254 C ASN A 19 78.308 5.093 -4.384 1.00 0.00 C ATOM 255 O ASN A 19 79.302 5.421 -5.001 1.00 0.00 O ATOM 256 CB ASN A 19 76.201 6.192 -5.201 1.00 0.00 C ATOM 257 CG ASN A 19 75.416 7.502 -5.092 1.00 0.00 C ATOM 258 OD1 ASN A 19 75.193 8.173 -6.080 1.00 0.00 O ATOM 259 ND2 ASN A 19 74.986 7.895 -3.924 1.00 0.00 N ATOM 0 H ASN A 19 78.177 7.837 -4.807 1.00 0.00 H new ATOM 0 HA ASN A 19 76.728 5.767 -3.134 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.719 6.146 -6.159 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.517 5.344 -5.168 1.00 0.00 H new ATOM 0 HD21 ASN A 19 74.462 8.766 -3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 19 75.174 7.331 -3.095 1.00 0.00 H new ATOM 266 N LEU A 20 78.145 3.877 -3.964 1.00 0.00 N ATOM 267 CA LEU A 20 79.191 2.855 -4.237 1.00 0.00 C ATOM 268 C LEU A 20 78.573 1.474 -4.448 1.00 0.00 C ATOM 269 O LEU A 20 77.404 1.253 -4.200 1.00 0.00 O ATOM 270 CB LEU A 20 80.060 2.849 -2.982 1.00 0.00 C ATOM 271 CG LEU A 20 81.121 3.940 -3.091 1.00 0.00 C ATOM 272 CD1 LEU A 20 82.022 3.894 -1.858 1.00 0.00 C ATOM 273 CD2 LEU A 20 81.963 3.701 -4.344 1.00 0.00 C ATOM 0 H LEU A 20 77.334 3.543 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 20 79.753 3.086 -5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 20 79.443 3.014 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.535 1.876 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 20 80.639 4.916 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 20 82.781 4.672 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 20 81.422 4.057 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 20 82.506 2.919 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 20 82.723 4.479 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 20 82.447 2.727 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 20 81.321 3.727 -5.224 1.00 0.00 H new ATOM 285 N PHE A 21 79.368 0.541 -4.887 1.00 0.00 N ATOM 286 CA PHE A 21 78.866 -0.843 -5.103 1.00 0.00 C ATOM 287 C PHE A 21 79.759 -1.814 -4.335 1.00 0.00 C ATOM 288 O PHE A 21 80.961 -1.646 -4.277 1.00 0.00 O ATOM 289 CB PHE A 21 78.974 -1.081 -6.609 1.00 0.00 C ATOM 290 CG PHE A 21 78.679 -2.531 -6.915 1.00 0.00 C ATOM 291 CD1 PHE A 21 77.726 -3.225 -6.162 1.00 0.00 C ATOM 292 CD2 PHE A 21 79.361 -3.178 -7.953 1.00 0.00 C ATOM 293 CE1 PHE A 21 77.453 -4.569 -6.447 1.00 0.00 C ATOM 294 CE2 PHE A 21 79.088 -4.522 -8.237 1.00 0.00 C ATOM 295 CZ PHE A 21 78.134 -5.217 -7.485 1.00 0.00 C ATOM 0 H PHE A 21 80.354 0.679 -5.108 1.00 0.00 H new ATOM 0 HA PHE A 21 77.843 -0.986 -4.756 1.00 0.00 H new ATOM 0 HB2 PHE A 21 78.273 -0.437 -7.140 1.00 0.00 H new ATOM 0 HB3 PHE A 21 79.973 -0.821 -6.958 1.00 0.00 H new ATOM 0 HD1 PHE A 21 77.201 -2.725 -5.361 1.00 0.00 H new ATOM 0 HD2 PHE A 21 80.097 -2.641 -8.534 1.00 0.00 H new ATOM 0 HE1 PHE A 21 76.717 -5.106 -5.866 1.00 0.00 H new ATOM 0 HE2 PHE A 21 79.614 -5.022 -9.037 1.00 0.00 H new ATOM 0 HZ PHE A 21 77.923 -6.253 -7.705 1.00 0.00 H new ATOM 305 N ILE A 22 79.194 -2.820 -3.733 1.00 0.00 N ATOM 306 CA ILE A 22 80.036 -3.774 -2.962 1.00 0.00 C ATOM 307 C ILE A 22 79.596 -5.216 -3.219 1.00 0.00 C ATOM 308 O ILE A 22 78.435 -5.496 -3.440 1.00 0.00 O ATOM 309 CB ILE A 22 79.826 -3.384 -1.495 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.741 -2.206 -1.151 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.162 -4.566 -0.587 1.00 0.00 C ATOM 312 CD1 ILE A 22 80.551 -1.823 0.317 1.00 0.00 C ATOM 0 H ILE A 22 78.194 -3.023 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 22 81.086 -3.724 -3.249 1.00 0.00 H new ATOM 0 HB ILE A 22 78.784 -3.102 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.781 -2.474 -1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 22 80.512 -1.355 -1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 22 80.010 -4.280 0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.514 -5.408 -0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.202 -4.855 -0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 22 81.203 -0.984 0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 22 79.513 -1.538 0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.802 -2.674 0.950 1.00 0.00 H new ATOM 324 N GLY A 23 80.525 -6.132 -3.186 1.00 0.00 N ATOM 325 CA GLY A 23 80.179 -7.560 -3.422 1.00 0.00 C ATOM 326 C GLY A 23 80.861 -8.429 -2.365 1.00 0.00 C ATOM 327 O GLY A 23 81.376 -7.935 -1.381 1.00 0.00 O ATOM 0 H GLY A 23 81.512 -5.951 -3.005 1.00 0.00 H new ATOM 0 HA2 GLY A 23 79.098 -7.696 -3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.498 -7.863 -4.419 1.00 0.00 H new ATOM 331 N ASN A 24 80.871 -9.719 -2.561 1.00 0.00 N ATOM 332 CA ASN A 24 81.521 -10.627 -1.569 1.00 0.00 C ATOM 333 C ASN A 24 80.694 -10.691 -0.284 1.00 0.00 C ATOM 334 O ASN A 24 81.226 -10.764 0.806 1.00 0.00 O ATOM 335 CB ASN A 24 82.895 -10.010 -1.294 1.00 0.00 C ATOM 336 CG ASN A 24 83.849 -11.092 -0.784 1.00 0.00 C ATOM 337 OD1 ASN A 24 83.464 -12.233 -0.630 1.00 0.00 O ATOM 338 ND2 ASN A 24 85.087 -10.778 -0.513 1.00 0.00 N ATOM 0 H ASN A 24 80.456 -10.186 -3.367 1.00 0.00 H new ATOM 0 HA ASN A 24 81.604 -11.647 -1.943 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.292 -9.560 -2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.806 -9.212 -0.557 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.731 -11.491 -0.172 1.00 0.00 H new ATOM 0 HD22 ASN A 24 85.410 -9.819 -0.643 1.00 0.00 H new ATOM 345 N LEU A 25 79.395 -10.667 -0.403 1.00 0.00 N ATOM 346 CA LEU A 25 78.535 -10.729 0.812 1.00 0.00 C ATOM 347 C LEU A 25 78.246 -12.184 1.177 1.00 0.00 C ATOM 348 O LEU A 25 77.789 -12.962 0.364 1.00 0.00 O ATOM 349 CB LEU A 25 77.246 -10.004 0.429 1.00 0.00 C ATOM 350 CG LEU A 25 77.481 -8.493 0.458 1.00 0.00 C ATOM 351 CD1 LEU A 25 77.911 -8.070 1.863 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.582 -8.130 -0.541 1.00 0.00 C ATOM 0 H LEU A 25 78.892 -10.607 -1.289 1.00 0.00 H new ATOM 0 HA LEU A 25 79.012 -10.272 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 25 76.924 -10.313 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.447 -10.272 1.120 1.00 0.00 H new ATOM 0 HG LEU A 25 76.559 -7.977 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.078 -6.993 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 25 77.129 -8.329 2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 25 78.833 -8.586 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.751 -7.053 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.503 -8.646 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 25 78.278 -8.431 -1.543 1.00 0.00 H new ATOM 364 N ASN A 26 78.511 -12.549 2.398 1.00 0.00 N ATOM 365 CA ASN A 26 78.259 -13.949 2.837 1.00 0.00 C ATOM 366 C ASN A 26 76.933 -14.458 2.262 1.00 0.00 C ATOM 367 O ASN A 26 75.872 -14.047 2.687 1.00 0.00 O ATOM 368 CB ASN A 26 78.185 -13.865 4.360 1.00 0.00 C ATOM 369 CG ASN A 26 77.983 -15.266 4.942 1.00 0.00 C ATOM 370 OD1 ASN A 26 77.227 -16.053 4.410 1.00 0.00 O ATOM 371 ND2 ASN A 26 78.633 -15.610 6.019 1.00 0.00 N ATOM 0 H ASN A 26 78.894 -11.934 3.116 1.00 0.00 H new ATOM 0 HA ASN A 26 79.032 -14.638 2.497 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.101 -13.425 4.755 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.363 -13.214 4.659 1.00 0.00 H new ATOM 0 HD21 ASN A 26 78.507 -16.541 6.415 1.00 0.00 H new ATOM 0 HD22 ASN A 26 79.268 -14.948 6.465 1.00 0.00 H new ATOM 378 N PRO A 27 77.045 -15.341 1.309 1.00 0.00 N ATOM 379 CA PRO A 27 75.844 -15.921 0.662 1.00 0.00 C ATOM 380 C PRO A 27 75.158 -16.912 1.607 1.00 0.00 C ATOM 381 O PRO A 27 74.072 -17.388 1.342 1.00 0.00 O ATOM 382 CB PRO A 27 76.407 -16.637 -0.563 1.00 0.00 C ATOM 383 CG PRO A 27 77.830 -16.944 -0.213 1.00 0.00 C ATOM 384 CD PRO A 27 78.290 -15.880 0.751 1.00 0.00 C ATOM 0 HA PRO A 27 75.092 -15.175 0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.848 -17.548 -0.779 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.346 -16.007 -1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.911 -17.933 0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 27 78.454 -16.949 -1.107 1.00 0.00 H new ATOM 0 HD2 PRO A 27 78.928 -16.297 1.530 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.868 -15.107 0.245 1.00 0.00 H new ATOM 392 N ASN A 28 75.782 -17.223 2.711 1.00 0.00 N ATOM 393 CA ASN A 28 75.164 -18.177 3.674 1.00 0.00 C ATOM 394 C ASN A 28 74.445 -17.400 4.775 1.00 0.00 C ATOM 395 O ASN A 28 73.568 -17.908 5.444 1.00 0.00 O ATOM 396 CB ASN A 28 76.333 -18.975 4.250 1.00 0.00 C ATOM 397 CG ASN A 28 76.964 -19.824 3.144 1.00 0.00 C ATOM 398 OD1 ASN A 28 77.975 -19.456 2.582 1.00 0.00 O ATOM 399 ND2 ASN A 28 76.405 -20.954 2.807 1.00 0.00 N ATOM 0 H ASN A 28 76.693 -16.857 2.987 1.00 0.00 H new ATOM 0 HA ASN A 28 74.427 -18.829 3.205 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.076 -18.299 4.673 1.00 0.00 H new ATOM 0 HB3 ASN A 28 75.986 -19.615 5.061 1.00 0.00 H new ATOM 0 HD21 ASN A 28 76.818 -21.528 2.072 1.00 0.00 H new ATOM 0 HD22 ASN A 28 75.555 -21.263 3.279 1.00 0.00 H new ATOM 406 N LYS A 29 74.810 -16.163 4.956 1.00 0.00 N ATOM 407 CA LYS A 29 74.159 -15.330 5.998 1.00 0.00 C ATOM 408 C LYS A 29 73.174 -14.366 5.335 1.00 0.00 C ATOM 409 O LYS A 29 72.733 -14.585 4.224 1.00 0.00 O ATOM 410 CB LYS A 29 75.312 -14.568 6.652 1.00 0.00 C ATOM 411 CG LYS A 29 75.942 -15.437 7.740 1.00 0.00 C ATOM 412 CD LYS A 29 76.035 -14.637 9.039 1.00 0.00 C ATOM 413 CE LYS A 29 74.933 -15.095 9.999 1.00 0.00 C ATOM 414 NZ LYS A 29 75.571 -15.106 11.345 1.00 0.00 N ATOM 0 H LYS A 29 75.539 -15.691 4.421 1.00 0.00 H new ATOM 0 HA LYS A 29 73.595 -15.913 6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.059 -14.304 5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 29 74.948 -13.635 7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 29 75.344 -16.335 7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 29 76.934 -15.765 7.430 1.00 0.00 H new ATOM 0 HD2 LYS A 29 77.014 -14.779 9.497 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.932 -13.572 8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 29 74.080 -14.417 9.973 1.00 0.00 H new ATOM 0 HE3 LYS A 29 74.562 -16.084 9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 75.196 -15.901 11.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 76.600 -15.212 11.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 75.363 -14.213 11.835 1.00 0.00 H new ATOM 428 N SER A 30 72.829 -13.301 5.998 1.00 0.00 N ATOM 429 CA SER A 30 71.877 -12.329 5.392 1.00 0.00 C ATOM 430 C SER A 30 72.625 -11.095 4.896 1.00 0.00 C ATOM 431 O SER A 30 73.624 -10.687 5.464 1.00 0.00 O ATOM 432 CB SER A 30 70.925 -11.943 6.519 1.00 0.00 C ATOM 433 OG SER A 30 70.605 -13.098 7.283 1.00 0.00 O ATOM 0 H SER A 30 73.163 -13.060 6.931 1.00 0.00 H new ATOM 0 HA SER A 30 71.351 -12.755 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.385 -11.188 7.156 1.00 0.00 H new ATOM 0 HB3 SER A 30 70.017 -11.502 6.108 1.00 0.00 H new ATOM 0 HG SER A 30 69.995 -12.851 8.009 1.00 0.00 H new ATOM 439 N VAL A 31 72.148 -10.483 3.851 1.00 0.00 N ATOM 440 CA VAL A 31 72.836 -9.268 3.342 1.00 0.00 C ATOM 441 C VAL A 31 72.636 -8.130 4.342 1.00 0.00 C ATOM 442 O VAL A 31 73.441 -7.225 4.442 1.00 0.00 O ATOM 443 CB VAL A 31 72.185 -8.930 1.997 1.00 0.00 C ATOM 444 CG1 VAL A 31 73.160 -8.097 1.160 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.846 -10.212 1.229 1.00 0.00 C ATOM 0 H VAL A 31 71.318 -10.769 3.331 1.00 0.00 H new ATOM 0 HA VAL A 31 73.908 -9.423 3.217 1.00 0.00 H new ATOM 0 HB VAL A 31 71.268 -8.370 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 31 72.701 -7.854 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 31 73.401 -7.176 1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 31 74.073 -8.667 0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 31 71.384 -9.954 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.759 -10.780 1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 31 71.154 -10.815 1.816 1.00 0.00 H new ATOM 455 N ALA A 32 71.572 -8.182 5.099 1.00 0.00 N ATOM 456 CA ALA A 32 71.327 -7.119 6.111 1.00 0.00 C ATOM 457 C ALA A 32 72.421 -7.182 7.174 1.00 0.00 C ATOM 458 O ALA A 32 72.941 -6.175 7.612 1.00 0.00 O ATOM 459 CB ALA A 32 69.962 -7.447 6.716 1.00 0.00 C ATOM 0 H ALA A 32 70.864 -8.915 5.059 1.00 0.00 H new ATOM 0 HA ALA A 32 71.339 -6.116 5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.712 -6.704 7.473 1.00 0.00 H new ATOM 0 HB2 ALA A 32 69.204 -7.436 5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.995 -8.435 7.174 1.00 0.00 H new ATOM 465 N GLU A 33 72.788 -8.368 7.575 1.00 0.00 N ATOM 466 CA GLU A 33 73.865 -8.511 8.592 1.00 0.00 C ATOM 467 C GLU A 33 75.171 -7.980 8.006 1.00 0.00 C ATOM 468 O GLU A 33 75.887 -7.227 8.636 1.00 0.00 O ATOM 469 CB GLU A 33 73.958 -10.013 8.868 1.00 0.00 C ATOM 470 CG GLU A 33 72.599 -10.531 9.342 1.00 0.00 C ATOM 471 CD GLU A 33 72.316 -10.008 10.751 1.00 0.00 C ATOM 472 OE1 GLU A 33 71.762 -8.927 10.860 1.00 0.00 O ATOM 473 OE2 GLU A 33 72.659 -10.697 11.698 1.00 0.00 O ATOM 0 H GLU A 33 72.387 -9.245 7.241 1.00 0.00 H new ATOM 0 HA GLU A 33 73.666 -7.955 9.508 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.265 -10.541 7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.717 -10.208 9.625 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.815 -10.206 8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.592 -11.621 9.339 1.00 0.00 H new ATOM 480 N LEU A 34 75.473 -8.343 6.787 1.00 0.00 N ATOM 481 CA LEU A 34 76.708 -7.837 6.149 1.00 0.00 C ATOM 482 C LEU A 34 76.627 -6.317 6.090 1.00 0.00 C ATOM 483 O LEU A 34 77.593 -5.612 6.305 1.00 0.00 O ATOM 484 CB LEU A 34 76.680 -8.432 4.746 1.00 0.00 C ATOM 485 CG LEU A 34 76.781 -9.954 4.830 1.00 0.00 C ATOM 486 CD1 LEU A 34 76.021 -10.582 3.660 1.00 0.00 C ATOM 487 CD2 LEU A 34 78.251 -10.371 4.765 1.00 0.00 C ATOM 0 H LEU A 34 74.912 -8.970 6.210 1.00 0.00 H new ATOM 0 HA LEU A 34 77.621 -8.104 6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 34 75.759 -8.147 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 34 77.506 -8.035 4.156 1.00 0.00 H new ATOM 0 HG LEU A 34 76.347 -10.295 5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.093 -11.668 3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 34 74.973 -10.285 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 34 76.454 -10.241 2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.324 -11.457 4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.685 -10.029 3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 34 78.793 -9.924 5.599 1.00 0.00 H new ATOM 499 N LYS A 35 75.459 -5.815 5.809 1.00 0.00 N ATOM 500 CA LYS A 35 75.266 -4.344 5.743 1.00 0.00 C ATOM 501 C LYS A 35 75.632 -3.716 7.087 1.00 0.00 C ATOM 502 O LYS A 35 76.490 -2.859 7.176 1.00 0.00 O ATOM 503 CB LYS A 35 73.777 -4.158 5.453 1.00 0.00 C ATOM 504 CG LYS A 35 73.590 -2.986 4.494 1.00 0.00 C ATOM 505 CD LYS A 35 73.618 -3.495 3.052 1.00 0.00 C ATOM 506 CE LYS A 35 72.387 -4.366 2.795 1.00 0.00 C ATOM 507 NZ LYS A 35 71.238 -3.567 3.304 1.00 0.00 N ATOM 0 H LYS A 35 74.623 -6.367 5.621 1.00 0.00 H new ATOM 0 HA LYS A 35 75.890 -3.871 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.364 -5.068 5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.235 -3.973 6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 35 72.643 -2.485 4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 35 74.379 -2.249 4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 35 73.633 -2.654 2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 35 74.527 -4.070 2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 35 72.275 -4.588 1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 35 72.464 -5.322 3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 70.371 -3.846 2.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 71.119 -3.740 4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 71.420 -2.556 3.144 1.00 0.00 H new ATOM 521 N VAL A 36 74.993 -4.149 8.140 1.00 0.00 N ATOM 522 CA VAL A 36 75.305 -3.595 9.487 1.00 0.00 C ATOM 523 C VAL A 36 76.783 -3.791 9.793 1.00 0.00 C ATOM 524 O VAL A 36 77.391 -2.997 10.475 1.00 0.00 O ATOM 525 CB VAL A 36 74.459 -4.414 10.452 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.491 -3.771 11.839 1.00 0.00 C ATOM 527 CG2 VAL A 36 73.015 -4.473 9.948 1.00 0.00 C ATOM 0 H VAL A 36 74.266 -4.865 8.124 1.00 0.00 H new ATOM 0 HA VAL A 36 75.093 -2.528 9.558 1.00 0.00 H new ATOM 0 HB VAL A 36 74.862 -5.425 10.514 1.00 0.00 H new ATOM 0 HG11 VAL A 36 73.884 -4.360 12.527 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.519 -3.736 12.200 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.093 -2.758 11.780 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.412 -5.060 10.641 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.611 -3.463 9.881 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.992 -4.939 8.963 1.00 0.00 H new ATOM 537 N ALA A 37 77.372 -4.838 9.290 1.00 0.00 N ATOM 538 CA ALA A 37 78.817 -5.058 9.555 1.00 0.00 C ATOM 539 C ALA A 37 79.612 -3.938 8.901 1.00 0.00 C ATOM 540 O ALA A 37 80.565 -3.433 9.452 1.00 0.00 O ATOM 541 CB ALA A 37 79.148 -6.409 8.917 1.00 0.00 C ATOM 0 H ALA A 37 76.919 -5.545 8.711 1.00 0.00 H new ATOM 0 HA ALA A 37 79.059 -5.060 10.618 1.00 0.00 H new ATOM 0 HB1 ALA A 37 80.202 -6.637 9.074 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.536 -7.187 9.374 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.941 -6.367 7.848 1.00 0.00 H new ATOM 547 N ILE A 38 79.207 -3.532 7.733 1.00 0.00 N ATOM 548 CA ILE A 38 79.921 -2.426 7.043 1.00 0.00 C ATOM 549 C ILE A 38 79.498 -1.091 7.654 1.00 0.00 C ATOM 550 O ILE A 38 80.227 -0.118 7.608 1.00 0.00 O ATOM 551 CB ILE A 38 79.482 -2.518 5.581 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.933 -3.859 4.997 1.00 0.00 C ATOM 553 CG2 ILE A 38 80.118 -1.377 4.786 1.00 0.00 C ATOM 554 CD1 ILE A 38 78.943 -4.304 3.918 1.00 0.00 C ATOM 0 H ILE A 38 78.411 -3.919 7.226 1.00 0.00 H new ATOM 0 HA ILE A 38 81.004 -2.498 7.138 1.00 0.00 H new ATOM 0 HB ILE A 38 78.396 -2.442 5.522 1.00 0.00 H new ATOM 0 HG12 ILE A 38 80.932 -3.765 4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.991 -4.610 5.785 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.806 -1.442 3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.799 -0.421 5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 38 81.204 -1.454 4.845 1.00 0.00 H new ATOM 0 HD11 ILE A 38 79.264 -5.259 3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 38 77.951 -4.414 4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 38 78.908 -3.556 3.126 1.00 0.00 H new ATOM 566 N SER A 39 78.330 -1.036 8.241 1.00 0.00 N ATOM 567 CA SER A 39 77.882 0.242 8.863 1.00 0.00 C ATOM 568 C SER A 39 78.529 0.383 10.240 1.00 0.00 C ATOM 569 O SER A 39 78.851 1.468 10.687 1.00 0.00 O ATOM 570 CB SER A 39 76.365 0.113 8.990 1.00 0.00 C ATOM 571 OG SER A 39 75.859 1.221 9.723 1.00 0.00 O ATOM 0 H SER A 39 77.674 -1.814 8.315 1.00 0.00 H new ATOM 0 HA SER A 39 78.159 1.119 8.278 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.908 0.077 8.001 1.00 0.00 H new ATOM 0 HB3 SER A 39 76.109 -0.819 9.494 1.00 0.00 H new ATOM 0 HG SER A 39 74.886 1.142 9.805 1.00 0.00 H new ATOM 577 N GLU A 40 78.734 -0.716 10.905 1.00 0.00 N ATOM 578 CA GLU A 40 79.369 -0.674 12.245 1.00 0.00 C ATOM 579 C GLU A 40 80.875 -0.502 12.088 1.00 0.00 C ATOM 580 O GLU A 40 81.518 0.194 12.847 1.00 0.00 O ATOM 581 CB GLU A 40 79.039 -2.024 12.863 1.00 0.00 C ATOM 582 CG GLU A 40 78.624 -1.836 14.322 1.00 0.00 C ATOM 583 CD GLU A 40 79.745 -2.324 15.242 1.00 0.00 C ATOM 584 OE1 GLU A 40 80.858 -1.849 15.090 1.00 0.00 O ATOM 585 OE2 GLU A 40 79.471 -3.166 16.082 1.00 0.00 O ATOM 0 H GLU A 40 78.486 -1.648 10.574 1.00 0.00 H new ATOM 0 HA GLU A 40 79.016 0.152 12.862 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.234 -2.503 12.305 1.00 0.00 H new ATOM 0 HB3 GLU A 40 79.905 -2.683 12.803 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.411 -0.785 14.517 1.00 0.00 H new ATOM 0 HG3 GLU A 40 77.707 -2.390 14.524 1.00 0.00 H new ATOM 592 N LEU A 41 81.436 -1.122 11.090 1.00 0.00 N ATOM 593 CA LEU A 41 82.898 -0.983 10.863 1.00 0.00 C ATOM 594 C LEU A 41 83.195 0.430 10.378 1.00 0.00 C ATOM 595 O LEU A 41 84.234 0.992 10.663 1.00 0.00 O ATOM 596 CB LEU A 41 83.241 -2.010 9.782 1.00 0.00 C ATOM 597 CG LEU A 41 84.608 -2.628 10.081 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.499 -4.153 10.042 1.00 0.00 C ATOM 599 CD2 LEU A 41 85.617 -2.161 9.031 1.00 0.00 C ATOM 0 H LEU A 41 80.946 -1.718 10.423 1.00 0.00 H new ATOM 0 HA LEU A 41 83.483 -1.152 11.767 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.478 -2.788 9.749 1.00 0.00 H new ATOM 0 HB3 LEU A 41 83.252 -1.533 8.802 1.00 0.00 H new ATOM 0 HG LEU A 41 84.941 -2.314 11.070 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.473 -4.593 10.255 1.00 0.00 H new ATOM 0 HD12 LEU A 41 83.779 -4.486 10.790 1.00 0.00 H new ATOM 0 HD13 LEU A 41 84.167 -4.469 9.053 1.00 0.00 H new ATOM 0 HD21 LEU A 41 86.592 -2.600 9.242 1.00 0.00 H new ATOM 0 HD22 LEU A 41 85.284 -2.475 8.042 1.00 0.00 H new ATOM 0 HD23 LEU A 41 85.695 -1.074 9.059 1.00 0.00 H new ATOM 611 N PHE A 42 82.279 1.016 9.658 1.00 0.00 N ATOM 612 CA PHE A 42 82.494 2.395 9.168 1.00 0.00 C ATOM 613 C PHE A 42 82.243 3.369 10.318 1.00 0.00 C ATOM 614 O PHE A 42 82.777 4.458 10.358 1.00 0.00 O ATOM 615 CB PHE A 42 81.451 2.582 8.073 1.00 0.00 C ATOM 616 CG PHE A 42 81.922 1.945 6.782 1.00 0.00 C ATOM 617 CD1 PHE A 42 82.531 0.682 6.794 1.00 0.00 C ATOM 618 CD2 PHE A 42 81.740 2.619 5.569 1.00 0.00 C ATOM 619 CE1 PHE A 42 82.956 0.098 5.594 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.165 2.035 4.371 1.00 0.00 C ATOM 621 CZ PHE A 42 82.773 0.774 4.383 1.00 0.00 C ATOM 0 H PHE A 42 81.390 0.593 9.390 1.00 0.00 H new ATOM 0 HA PHE A 42 83.504 2.570 8.797 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.506 2.136 8.382 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.266 3.645 7.916 1.00 0.00 H new ATOM 0 HD1 PHE A 42 82.672 0.160 7.729 1.00 0.00 H new ATOM 0 HD2 PHE A 42 81.271 3.592 5.558 1.00 0.00 H new ATOM 0 HE1 PHE A 42 83.425 -0.875 5.604 1.00 0.00 H new ATOM 0 HE2 PHE A 42 82.024 2.557 3.436 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.101 0.323 3.458 1.00 0.00 H new ATOM 631 N ALA A 43 81.429 2.971 11.261 1.00 0.00 N ATOM 632 CA ALA A 43 81.138 3.857 12.422 1.00 0.00 C ATOM 633 C ALA A 43 82.337 3.872 13.373 1.00 0.00 C ATOM 634 O ALA A 43 82.595 4.847 14.051 1.00 0.00 O ATOM 635 CB ALA A 43 79.919 3.232 13.102 1.00 0.00 C ATOM 0 H ALA A 43 80.954 2.069 11.275 1.00 0.00 H new ATOM 0 HA ALA A 43 80.949 4.889 12.125 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.641 3.829 13.971 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.086 3.203 12.400 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.160 2.218 13.421 1.00 0.00 H new ATOM 641 N LYS A 44 83.075 2.797 13.418 1.00 0.00 N ATOM 642 CA LYS A 44 84.264 2.743 14.314 1.00 0.00 C ATOM 643 C LYS A 44 85.524 3.097 13.523 1.00 0.00 C ATOM 644 O LYS A 44 86.522 3.515 14.076 1.00 0.00 O ATOM 645 CB LYS A 44 84.325 1.297 14.809 1.00 0.00 C ATOM 646 CG LYS A 44 83.483 1.156 16.078 1.00 0.00 C ATOM 647 CD LYS A 44 82.562 -0.058 15.948 1.00 0.00 C ATOM 648 CE LYS A 44 82.956 -1.113 16.984 1.00 0.00 C ATOM 649 NZ LYS A 44 81.779 -1.224 17.889 1.00 0.00 N ATOM 0 H LYS A 44 82.905 1.952 12.872 1.00 0.00 H new ATOM 0 HA LYS A 44 84.196 3.449 15.142 1.00 0.00 H new ATOM 0 HB2 LYS A 44 83.955 0.622 14.038 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.358 1.014 15.012 1.00 0.00 H new ATOM 0 HG2 LYS A 44 84.132 1.042 16.947 1.00 0.00 H new ATOM 0 HG3 LYS A 44 82.892 2.058 16.237 1.00 0.00 H new ATOM 0 HD2 LYS A 44 81.525 0.242 16.096 1.00 0.00 H new ATOM 0 HD3 LYS A 44 82.633 -0.475 14.944 1.00 0.00 H new ATOM 0 HE2 LYS A 44 83.180 -2.068 16.509 1.00 0.00 H new ATOM 0 HE3 LYS A 44 83.849 -0.813 17.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 82.077 -1.633 18.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 81.375 -0.279 18.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 81.062 -1.837 17.452 1.00 0.00 H new ATOM 663 N ASN A 45 85.482 2.939 12.227 1.00 0.00 N ATOM 664 CA ASN A 45 86.669 3.271 11.397 1.00 0.00 C ATOM 665 C ASN A 45 86.810 4.788 11.281 1.00 0.00 C ATOM 666 O ASN A 45 87.899 5.314 11.376 1.00 0.00 O ATOM 667 CB ASN A 45 86.370 2.656 10.032 1.00 0.00 C ATOM 668 CG ASN A 45 86.944 1.240 9.975 1.00 0.00 C ATOM 669 OD1 ASN A 45 87.737 0.927 9.108 1.00 0.00 O ATOM 670 ND2 ASN A 45 86.575 0.365 10.868 1.00 0.00 N ATOM 0 H ASN A 45 84.674 2.594 11.709 1.00 0.00 H new ATOM 0 HA ASN A 45 87.599 2.893 11.821 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.294 2.631 9.860 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.805 3.268 9.242 1.00 0.00 H new ATOM 0 HD21 ASN A 45 86.952 -0.583 10.840 1.00 0.00 H new ATOM 0 HD22 ASN A 45 85.910 0.628 11.595 1.00 0.00 H new ATOM 677 N ASP A 46 85.693 5.469 11.081 1.00 0.00 N ATOM 678 CA ASP A 46 85.641 6.972 10.949 1.00 0.00 C ATOM 679 C ASP A 46 85.011 7.342 9.615 1.00 0.00 C ATOM 680 O ASP A 46 85.293 8.376 9.043 1.00 0.00 O ATOM 681 CB ASP A 46 87.064 7.518 11.017 1.00 0.00 C ATOM 682 CG ASP A 46 87.040 9.038 10.849 1.00 0.00 C ATOM 683 OD1 ASP A 46 86.401 9.694 11.657 1.00 0.00 O ATOM 684 OD2 ASP A 46 87.658 9.522 9.915 1.00 0.00 O ATOM 0 H ASP A 46 84.779 5.023 11.001 1.00 0.00 H new ATOM 0 HA ASP A 46 85.043 7.398 11.755 1.00 0.00 H new ATOM 0 HB2 ASP A 46 87.520 7.255 11.972 1.00 0.00 H new ATOM 0 HB3 ASP A 46 87.675 7.066 10.236 1.00 0.00 H new ATOM 689 N LEU A 47 84.154 6.505 9.123 1.00 0.00 N ATOM 690 CA LEU A 47 83.490 6.796 7.829 1.00 0.00 C ATOM 691 C LEU A 47 82.120 7.422 8.089 1.00 0.00 C ATOM 692 O LEU A 47 81.890 8.037 9.111 1.00 0.00 O ATOM 693 CB LEU A 47 83.356 5.433 7.146 1.00 0.00 C ATOM 694 CG LEU A 47 84.307 5.370 5.950 1.00 0.00 C ATOM 695 CD1 LEU A 47 85.633 4.745 6.385 1.00 0.00 C ATOM 696 CD2 LEU A 47 83.682 4.516 4.845 1.00 0.00 C ATOM 0 H LEU A 47 83.882 5.626 9.562 1.00 0.00 H new ATOM 0 HA LEU A 47 84.047 7.499 7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.588 4.636 7.852 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.329 5.278 6.817 1.00 0.00 H new ATOM 0 HG LEU A 47 84.485 6.378 5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 47 86.311 4.700 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 47 86.080 5.352 7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 47 85.455 3.737 6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 47 84.360 4.471 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 47 83.504 3.508 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 47 82.736 4.959 4.534 1.00 0.00 H new ATOM 708 N ALA A 48 81.210 7.271 7.176 1.00 0.00 N ATOM 709 CA ALA A 48 79.853 7.856 7.370 1.00 0.00 C ATOM 710 C ALA A 48 78.862 7.204 6.408 1.00 0.00 C ATOM 711 O ALA A 48 78.274 7.855 5.567 1.00 0.00 O ATOM 712 CB ALA A 48 80.009 9.344 7.061 1.00 0.00 C ATOM 0 H ALA A 48 81.344 6.767 6.299 1.00 0.00 H new ATOM 0 HA ALA A 48 79.472 7.694 8.378 1.00 0.00 H new ATOM 0 HB1 ALA A 48 79.048 9.844 7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.735 9.783 7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.355 9.468 6.035 1.00 0.00 H new ATOM 718 N VAL A 49 78.677 5.923 6.529 1.00 0.00 N ATOM 719 CA VAL A 49 77.738 5.216 5.638 1.00 0.00 C ATOM 720 C VAL A 49 76.361 5.861 5.702 1.00 0.00 C ATOM 721 O VAL A 49 75.698 5.867 6.720 1.00 0.00 O ATOM 722 CB VAL A 49 77.692 3.788 6.170 1.00 0.00 C ATOM 723 CG1 VAL A 49 78.982 3.060 5.794 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.544 3.812 7.694 1.00 0.00 C ATOM 0 H VAL A 49 79.145 5.333 7.217 1.00 0.00 H new ATOM 0 HA VAL A 49 78.051 5.251 4.594 1.00 0.00 H new ATOM 0 HB VAL A 49 76.841 3.267 5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 49 78.948 2.039 6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.085 3.039 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 49 79.834 3.582 6.230 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.511 2.790 8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.393 4.335 8.134 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.622 4.328 7.962 1.00 0.00 H new ATOM 734 N VAL A 50 75.939 6.403 4.607 1.00 0.00 N ATOM 735 CA VAL A 50 74.604 7.065 4.550 1.00 0.00 C ATOM 736 C VAL A 50 73.554 6.044 4.113 1.00 0.00 C ATOM 737 O VAL A 50 72.443 6.031 4.604 1.00 0.00 O ATOM 738 CB VAL A 50 74.737 8.187 3.507 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.866 9.373 3.915 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.193 8.653 3.416 1.00 0.00 C ATOM 0 H VAL A 50 76.464 6.420 3.732 1.00 0.00 H new ATOM 0 HA VAL A 50 74.296 7.464 5.517 1.00 0.00 H new ATOM 0 HB VAL A 50 74.416 7.803 2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.962 10.167 3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.825 9.056 3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 50 74.189 9.744 4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.275 9.448 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.516 9.028 4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 50 76.825 7.815 3.122 1.00 0.00 H new ATOM 750 N ASP A 51 73.903 5.179 3.199 1.00 0.00 N ATOM 751 CA ASP A 51 72.927 4.151 2.740 1.00 0.00 C ATOM 752 C ASP A 51 73.640 2.826 2.457 1.00 0.00 C ATOM 753 O ASP A 51 74.813 2.789 2.152 1.00 0.00 O ATOM 754 CB ASP A 51 72.321 4.712 1.457 1.00 0.00 C ATOM 755 CG ASP A 51 70.797 4.583 1.511 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.270 4.483 2.606 1.00 0.00 O ATOM 757 OD2 ASP A 51 70.184 4.584 0.456 1.00 0.00 O ATOM 0 H ASP A 51 74.819 5.140 2.752 1.00 0.00 H new ATOM 0 HA ASP A 51 72.167 3.949 3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.604 5.758 1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 51 72.711 4.174 0.593 1.00 0.00 H new ATOM 762 N VAL A 52 72.931 1.739 2.558 1.00 0.00 N ATOM 763 CA VAL A 52 73.546 0.402 2.292 1.00 0.00 C ATOM 764 C VAL A 52 72.441 -0.599 1.940 1.00 0.00 C ATOM 765 O VAL A 52 71.640 -0.966 2.777 1.00 0.00 O ATOM 766 CB VAL A 52 74.257 -0.032 3.587 1.00 0.00 C ATOM 767 CG1 VAL A 52 75.522 -0.811 3.226 1.00 0.00 C ATOM 768 CG2 VAL A 52 74.649 1.184 4.438 1.00 0.00 C ATOM 0 H VAL A 52 71.944 1.715 2.815 1.00 0.00 H new ATOM 0 HA VAL A 52 74.251 0.445 1.462 1.00 0.00 H new ATOM 0 HB VAL A 52 73.572 -0.654 4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 52 76.031 -1.122 4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 52 75.253 -1.692 2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 52 76.185 -0.176 2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.149 0.847 5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 52 75.323 1.824 3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 52 73.754 1.746 4.704 1.00 0.00 H new ATOM 778 N ARG A 53 72.380 -1.039 0.712 1.00 0.00 N ATOM 779 CA ARG A 53 71.311 -2.004 0.327 1.00 0.00 C ATOM 780 C ARG A 53 71.912 -3.304 -0.212 1.00 0.00 C ATOM 781 O ARG A 53 73.082 -3.378 -0.529 1.00 0.00 O ATOM 782 CB ARG A 53 70.509 -1.294 -0.765 1.00 0.00 C ATOM 783 CG ARG A 53 69.201 -0.765 -0.176 1.00 0.00 C ATOM 784 CD ARG A 53 68.627 0.315 -1.097 1.00 0.00 C ATOM 785 NE ARG A 53 68.183 -0.416 -2.316 1.00 0.00 N ATOM 786 CZ ARG A 53 67.061 -0.091 -2.899 1.00 0.00 C ATOM 787 NH1 ARG A 53 66.613 1.131 -2.819 1.00 0.00 N ATOM 788 NH2 ARG A 53 66.387 -0.991 -3.562 1.00 0.00 N ATOM 0 H ARG A 53 73.020 -0.774 -0.037 1.00 0.00 H new ATOM 0 HA ARG A 53 70.692 -2.281 1.181 1.00 0.00 H new ATOM 0 HB2 ARG A 53 71.091 -0.472 -1.182 1.00 0.00 H new ATOM 0 HB3 ARG A 53 70.299 -1.983 -1.583 1.00 0.00 H new ATOM 0 HG2 ARG A 53 68.485 -1.579 -0.062 1.00 0.00 H new ATOM 0 HG3 ARG A 53 69.377 -0.354 0.818 1.00 0.00 H new ATOM 0 HD2 ARG A 53 67.795 0.836 -0.624 1.00 0.00 H new ATOM 0 HD3 ARG A 53 69.378 1.067 -1.339 1.00 0.00 H new ATOM 0 HE ARG A 53 68.755 -1.170 -2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 53 67.139 1.834 -2.300 1.00 0.00 H new ATOM 0 HH12 ARG A 53 65.736 1.384 -3.275 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.737 -1.947 -3.624 1.00 0.00 H new ATOM 0 HH22 ARG A 53 65.510 -0.738 -4.018 1.00 0.00 H new ATOM 802 N THR A 54 71.114 -4.333 -0.315 1.00 0.00 N ATOM 803 CA THR A 54 71.620 -5.628 -0.829 1.00 0.00 C ATOM 804 C THR A 54 71.494 -5.668 -2.354 1.00 0.00 C ATOM 805 O THR A 54 70.693 -4.964 -2.938 1.00 0.00 O ATOM 806 CB THR A 54 70.707 -6.674 -0.190 1.00 0.00 C ATOM 807 OG1 THR A 54 69.455 -6.680 -0.860 1.00 0.00 O ATOM 808 CG2 THR A 54 70.493 -6.346 1.291 1.00 0.00 C ATOM 0 H THR A 54 70.126 -4.327 -0.062 1.00 0.00 H new ATOM 0 HA THR A 54 72.670 -5.796 -0.591 1.00 0.00 H new ATOM 0 HB THR A 54 71.173 -7.656 -0.274 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.869 -7.352 -0.452 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.841 -7.096 1.739 1.00 0.00 H new ATOM 0 HG22 THR A 54 71.454 -6.345 1.806 1.00 0.00 H new ATOM 0 HG23 THR A 54 70.032 -5.363 1.383 1.00 0.00 H new ATOM 816 N GLY A 55 72.278 -6.480 -3.005 1.00 0.00 N ATOM 817 CA GLY A 55 72.200 -6.555 -4.492 1.00 0.00 C ATOM 818 C GLY A 55 71.957 -8.001 -4.931 1.00 0.00 C ATOM 819 O GLY A 55 72.765 -8.878 -4.691 1.00 0.00 O ATOM 0 H GLY A 55 72.969 -7.094 -2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 55 71.395 -5.916 -4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 55 73.125 -6.183 -4.932 1.00 0.00 H new ATOM 823 N THR A 56 70.852 -8.253 -5.581 1.00 0.00 N ATOM 824 CA THR A 56 70.552 -9.638 -6.052 1.00 0.00 C ATOM 825 C THR A 56 70.319 -10.577 -4.864 1.00 0.00 C ATOM 826 O THR A 56 70.301 -10.160 -3.724 1.00 0.00 O ATOM 827 CB THR A 56 71.789 -10.061 -6.844 1.00 0.00 C ATOM 828 OG1 THR A 56 72.237 -8.965 -7.629 1.00 0.00 O ATOM 829 CG2 THR A 56 71.438 -11.235 -7.759 1.00 0.00 C ATOM 0 H THR A 56 70.141 -7.557 -5.807 1.00 0.00 H new ATOM 0 HA THR A 56 69.646 -9.678 -6.657 1.00 0.00 H new ATOM 0 HB THR A 56 72.577 -10.366 -6.155 1.00 0.00 H new ATOM 0 HG1 THR A 56 73.171 -8.766 -7.410 1.00 0.00 H new ATOM 0 HG21 THR A 56 72.322 -11.534 -8.322 1.00 0.00 H new ATOM 0 HG22 THR A 56 71.090 -12.074 -7.157 1.00 0.00 H new ATOM 0 HG23 THR A 56 70.651 -10.934 -8.451 1.00 0.00 H new ATOM 837 N ASN A 57 70.130 -11.843 -5.129 1.00 0.00 N ATOM 838 CA ASN A 57 69.888 -12.818 -4.025 1.00 0.00 C ATOM 839 C ASN A 57 71.110 -12.917 -3.109 1.00 0.00 C ATOM 840 O ASN A 57 71.749 -13.948 -3.022 1.00 0.00 O ATOM 841 CB ASN A 57 69.636 -14.152 -4.728 1.00 0.00 C ATOM 842 CG ASN A 57 68.349 -14.063 -5.548 1.00 0.00 C ATOM 843 OD1 ASN A 57 68.372 -13.660 -6.695 1.00 0.00 O ATOM 844 ND2 ASN A 57 67.218 -14.422 -5.007 1.00 0.00 N ATOM 0 H ASN A 57 70.133 -12.245 -6.066 1.00 0.00 H new ATOM 0 HA ASN A 57 69.051 -12.519 -3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 57 70.477 -14.397 -5.377 1.00 0.00 H new ATOM 0 HB3 ASN A 57 69.556 -14.953 -3.993 1.00 0.00 H new ATOM 0 HD21 ASN A 57 66.354 -14.365 -5.546 1.00 0.00 H new ATOM 0 HD22 ASN A 57 67.198 -14.760 -4.045 1.00 0.00 H new ATOM 851 N ARG A 58 71.435 -11.861 -2.418 1.00 0.00 N ATOM 852 CA ARG A 58 72.609 -11.899 -1.499 1.00 0.00 C ATOM 853 C ARG A 58 73.895 -12.173 -2.277 1.00 0.00 C ATOM 854 O ARG A 58 74.592 -13.135 -2.021 1.00 0.00 O ATOM 855 CB ARG A 58 72.319 -13.044 -0.527 1.00 0.00 C ATOM 856 CG ARG A 58 70.853 -12.993 -0.086 1.00 0.00 C ATOM 857 CD ARG A 58 70.558 -14.172 0.844 1.00 0.00 C ATOM 858 NE ARG A 58 69.809 -13.580 1.987 1.00 0.00 N ATOM 859 CZ ARG A 58 69.000 -14.323 2.692 1.00 0.00 C ATOM 860 NH1 ARG A 58 69.458 -15.371 3.320 1.00 0.00 N ATOM 861 NH2 ARG A 58 67.735 -14.017 2.769 1.00 0.00 N ATOM 0 H ARG A 58 70.938 -10.971 -2.449 1.00 0.00 H new ATOM 0 HA ARG A 58 72.751 -10.949 -0.983 1.00 0.00 H new ATOM 0 HB2 ARG A 58 72.531 -14.001 -1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 58 72.972 -12.969 0.342 1.00 0.00 H new ATOM 0 HG2 ARG A 58 70.649 -12.053 0.426 1.00 0.00 H new ATOM 0 HG3 ARG A 58 70.199 -13.031 -0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 58 69.968 -14.936 0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 58 71.478 -14.650 1.180 1.00 0.00 H new ATOM 0 HE ARG A 58 69.928 -12.594 2.219 1.00 0.00 H new ATOM 0 HH11 ARG A 58 70.448 -15.609 3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 58 68.826 -15.952 3.871 1.00 0.00 H new ATOM 0 HH21 ARG A 58 67.378 -13.197 2.278 1.00 0.00 H new ATOM 0 HH22 ARG A 58 67.103 -14.597 3.320 1.00 0.00 H new ATOM 875 N LYS A 59 74.223 -11.330 -3.214 1.00 0.00 N ATOM 876 CA LYS A 59 75.474 -11.540 -3.994 1.00 0.00 C ATOM 877 C LYS A 59 76.396 -10.333 -3.819 1.00 0.00 C ATOM 878 O LYS A 59 77.603 -10.459 -3.769 1.00 0.00 O ATOM 879 CB LYS A 59 75.023 -11.674 -5.449 1.00 0.00 C ATOM 880 CG LYS A 59 76.048 -12.500 -6.227 1.00 0.00 C ATOM 881 CD LYS A 59 75.422 -13.833 -6.641 1.00 0.00 C ATOM 882 CE LYS A 59 75.689 -14.881 -5.557 1.00 0.00 C ATOM 883 NZ LYS A 59 76.150 -16.088 -6.296 1.00 0.00 N ATOM 0 H LYS A 59 73.681 -10.506 -3.474 1.00 0.00 H new ATOM 0 HA LYS A 59 76.029 -12.419 -3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.045 -12.152 -5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 59 74.917 -10.687 -5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 59 76.378 -11.952 -7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.931 -12.676 -5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 59 74.349 -13.713 -6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 59 75.840 -14.163 -7.592 1.00 0.00 H new ATOM 0 HE2 LYS A 59 76.446 -14.536 -4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 59 74.788 -15.091 -4.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 76.354 -16.852 -5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 75.407 -16.397 -6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 77.013 -15.860 -6.830 1.00 0.00 H new ATOM 897 N PHE A 60 75.826 -9.168 -3.709 1.00 0.00 N ATOM 898 CA PHE A 60 76.651 -7.939 -3.518 1.00 0.00 C ATOM 899 C PHE A 60 75.750 -6.793 -3.062 1.00 0.00 C ATOM 900 O PHE A 60 74.634 -6.653 -3.517 1.00 0.00 O ATOM 901 CB PHE A 60 77.296 -7.628 -4.877 1.00 0.00 C ATOM 902 CG PHE A 60 76.398 -8.065 -6.012 1.00 0.00 C ATOM 903 CD1 PHE A 60 75.286 -7.293 -6.364 1.00 0.00 C ATOM 904 CD2 PHE A 60 76.686 -9.240 -6.716 1.00 0.00 C ATOM 905 CE1 PHE A 60 74.461 -7.696 -7.421 1.00 0.00 C ATOM 906 CE2 PHE A 60 75.862 -9.644 -7.773 1.00 0.00 C ATOM 907 CZ PHE A 60 74.750 -8.872 -8.125 1.00 0.00 C ATOM 0 H PHE A 60 74.819 -9.010 -3.743 1.00 0.00 H new ATOM 0 HA PHE A 60 77.420 -8.077 -2.758 1.00 0.00 H new ATOM 0 HB2 PHE A 60 77.493 -6.559 -4.955 1.00 0.00 H new ATOM 0 HB3 PHE A 60 78.258 -8.136 -4.952 1.00 0.00 H new ATOM 0 HD1 PHE A 60 75.064 -6.386 -5.821 1.00 0.00 H new ATOM 0 HD2 PHE A 60 77.545 -9.835 -6.443 1.00 0.00 H new ATOM 0 HE1 PHE A 60 73.602 -7.100 -7.693 1.00 0.00 H new ATOM 0 HE2 PHE A 60 76.085 -10.551 -8.316 1.00 0.00 H new ATOM 0 HZ PHE A 60 74.114 -9.183 -8.940 1.00 0.00 H new ATOM 917 N GLY A 61 76.213 -5.982 -2.150 1.00 0.00 N ATOM 918 CA GLY A 61 75.360 -4.866 -1.655 1.00 0.00 C ATOM 919 C GLY A 61 75.931 -3.517 -2.087 1.00 0.00 C ATOM 920 O GLY A 61 77.075 -3.408 -2.475 1.00 0.00 O ATOM 0 H GLY A 61 77.140 -6.044 -1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.347 -4.978 -2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.294 -4.907 -0.568 1.00 0.00 H new ATOM 924 N TYR A 62 75.135 -2.485 -2.012 1.00 0.00 N ATOM 925 CA TYR A 62 75.620 -1.130 -2.403 1.00 0.00 C ATOM 926 C TYR A 62 75.651 -0.227 -1.182 1.00 0.00 C ATOM 927 O TYR A 62 75.072 -0.530 -0.159 1.00 0.00 O ATOM 928 CB TYR A 62 74.615 -0.619 -3.436 1.00 0.00 C ATOM 929 CG TYR A 62 74.775 -1.396 -4.721 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.326 -2.720 -4.799 1.00 0.00 C ATOM 931 CD2 TYR A 62 75.374 -0.793 -5.833 1.00 0.00 C ATOM 932 CE1 TYR A 62 74.475 -3.440 -5.991 1.00 0.00 C ATOM 933 CE2 TYR A 62 75.522 -1.513 -7.024 1.00 0.00 C ATOM 934 CZ TYR A 62 75.074 -2.836 -7.103 1.00 0.00 C ATOM 935 OH TYR A 62 75.220 -3.546 -8.277 1.00 0.00 O ATOM 0 H TYR A 62 74.166 -2.522 -1.696 1.00 0.00 H new ATOM 0 HA TYR A 62 76.630 -1.151 -2.813 1.00 0.00 H new ATOM 0 HB2 TYR A 62 73.599 -0.729 -3.056 1.00 0.00 H new ATOM 0 HB3 TYR A 62 74.774 0.444 -3.619 1.00 0.00 H new ATOM 0 HD1 TYR A 62 73.865 -3.186 -3.940 1.00 0.00 H new ATOM 0 HD2 TYR A 62 75.722 0.228 -5.772 1.00 0.00 H new ATOM 0 HE1 TYR A 62 74.128 -4.461 -6.052 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.982 -1.047 -7.883 1.00 0.00 H new ATOM 0 HH TYR A 62 76.034 -4.090 -8.231 1.00 0.00 H new ATOM 945 N VAL A 63 76.348 0.869 -1.266 1.00 0.00 N ATOM 946 CA VAL A 63 76.438 1.767 -0.087 1.00 0.00 C ATOM 947 C VAL A 63 76.659 3.220 -0.518 1.00 0.00 C ATOM 948 O VAL A 63 77.428 3.503 -1.416 1.00 0.00 O ATOM 949 CB VAL A 63 77.659 1.265 0.684 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.601 1.778 2.115 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.693 -0.267 0.704 1.00 0.00 C ATOM 0 H VAL A 63 76.856 1.180 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 63 75.523 1.751 0.505 1.00 0.00 H new ATOM 0 HB VAL A 63 78.557 1.633 0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.471 1.420 2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.597 2.868 2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.693 1.414 2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.569 -0.604 1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.792 -0.645 1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 63 77.742 -0.643 -0.318 1.00 0.00 H new ATOM 961 N ASP A 64 76.008 4.140 0.135 1.00 0.00 N ATOM 962 CA ASP A 64 76.192 5.577 -0.204 1.00 0.00 C ATOM 963 C ASP A 64 77.016 6.247 0.896 1.00 0.00 C ATOM 964 O ASP A 64 76.851 5.961 2.066 1.00 0.00 O ATOM 965 CB ASP A 64 74.784 6.163 -0.251 1.00 0.00 C ATOM 966 CG ASP A 64 73.876 5.252 -1.079 1.00 0.00 C ATOM 967 OD1 ASP A 64 74.397 4.355 -1.721 1.00 0.00 O ATOM 968 OD2 ASP A 64 72.676 5.467 -1.057 1.00 0.00 O ATOM 0 H ASP A 64 75.352 3.957 0.894 1.00 0.00 H new ATOM 0 HA ASP A 64 76.715 5.725 -1.149 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.388 6.266 0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 64 74.809 7.162 -0.687 1.00 0.00 H new ATOM 973 N PHE A 65 77.911 7.122 0.535 1.00 0.00 N ATOM 974 CA PHE A 65 78.750 7.788 1.568 1.00 0.00 C ATOM 975 C PHE A 65 78.329 9.243 1.746 1.00 0.00 C ATOM 976 O PHE A 65 77.516 9.765 1.008 1.00 0.00 O ATOM 977 CB PHE A 65 80.179 7.674 1.049 1.00 0.00 C ATOM 978 CG PHE A 65 80.585 6.222 1.102 1.00 0.00 C ATOM 979 CD1 PHE A 65 79.937 5.286 0.284 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.588 5.805 1.982 1.00 0.00 C ATOM 981 CE1 PHE A 65 80.297 3.936 0.347 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.945 4.454 2.046 1.00 0.00 C ATOM 983 CZ PHE A 65 81.299 3.521 1.228 1.00 0.00 C ATOM 0 H PHE A 65 78.098 7.404 -0.427 1.00 0.00 H new ATOM 0 HA PHE A 65 78.646 7.326 2.550 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.244 8.050 0.028 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.853 8.280 1.655 1.00 0.00 H new ATOM 0 HD1 PHE A 65 79.160 5.607 -0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 65 82.087 6.526 2.612 1.00 0.00 H new ATOM 0 HE1 PHE A 65 79.801 3.215 -0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.719 4.131 2.727 1.00 0.00 H new ATOM 0 HZ PHE A 65 81.575 2.478 1.278 1.00 0.00 H new ATOM 993 N GLU A 66 78.849 9.885 2.748 1.00 0.00 N ATOM 994 CA GLU A 66 78.455 11.294 3.015 1.00 0.00 C ATOM 995 C GLU A 66 79.643 12.243 2.857 1.00 0.00 C ATOM 996 O GLU A 66 79.604 13.372 3.305 1.00 0.00 O ATOM 997 CB GLU A 66 77.969 11.281 4.465 1.00 0.00 C ATOM 998 CG GLU A 66 76.440 11.327 4.495 1.00 0.00 C ATOM 999 CD GLU A 66 75.981 12.561 5.273 1.00 0.00 C ATOM 1000 OE1 GLU A 66 76.759 13.496 5.374 1.00 0.00 O ATOM 1001 OE2 GLU A 66 74.860 12.551 5.752 1.00 0.00 O ATOM 0 H GLU A 66 79.532 9.495 3.397 1.00 0.00 H new ATOM 0 HA GLU A 66 77.695 11.646 2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.326 10.384 4.971 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.379 12.135 5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.047 11.358 3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 66 76.048 10.423 4.961 1.00 0.00 H new ATOM 1008 N SER A 67 80.696 11.807 2.229 1.00 0.00 N ATOM 1009 CA SER A 67 81.869 12.715 2.061 1.00 0.00 C ATOM 1010 C SER A 67 82.827 12.225 0.991 1.00 0.00 C ATOM 1011 O SER A 67 82.710 11.143 0.449 1.00 0.00 O ATOM 1012 CB SER A 67 82.592 12.709 3.398 1.00 0.00 C ATOM 1013 OG SER A 67 83.944 13.102 3.198 1.00 0.00 O ATOM 0 H SER A 67 80.799 10.875 1.828 1.00 0.00 H new ATOM 0 HA SER A 67 81.529 13.705 1.757 1.00 0.00 H new ATOM 0 HB2 SER A 67 82.102 13.390 4.094 1.00 0.00 H new ATOM 0 HB3 SER A 67 82.551 11.715 3.843 1.00 0.00 H new ATOM 0 HG SER A 67 84.415 13.102 4.057 1.00 0.00 H new ATOM 1019 N ALA A 68 83.810 13.027 0.742 1.00 0.00 N ATOM 1020 CA ALA A 68 84.860 12.672 -0.241 1.00 0.00 C ATOM 1021 C ALA A 68 85.941 11.913 0.505 1.00 0.00 C ATOM 1022 O ALA A 68 86.672 11.116 -0.047 1.00 0.00 O ATOM 1023 CB ALA A 68 85.397 14.011 -0.732 1.00 0.00 C ATOM 0 H ALA A 68 83.935 13.936 1.188 1.00 0.00 H new ATOM 0 HA ALA A 68 84.506 12.058 -1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.183 13.840 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.589 14.581 -1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.803 14.571 0.110 1.00 0.00 H new ATOM 1029 N GLU A 69 86.016 12.156 1.781 1.00 0.00 N ATOM 1030 CA GLU A 69 87.014 11.457 2.622 1.00 0.00 C ATOM 1031 C GLU A 69 86.380 10.168 3.135 1.00 0.00 C ATOM 1032 O GLU A 69 87.051 9.209 3.463 1.00 0.00 O ATOM 1033 CB GLU A 69 87.302 12.428 3.765 1.00 0.00 C ATOM 1034 CG GLU A 69 88.812 12.515 3.992 1.00 0.00 C ATOM 1035 CD GLU A 69 89.159 11.933 5.363 1.00 0.00 C ATOM 1036 OE1 GLU A 69 88.280 11.898 6.210 1.00 0.00 O ATOM 1037 OE2 GLU A 69 90.297 11.533 5.544 1.00 0.00 O ATOM 0 H GLU A 69 85.420 12.817 2.280 1.00 0.00 H new ATOM 0 HA GLU A 69 87.931 11.190 2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.902 13.414 3.528 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.805 12.092 4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 69 89.340 11.969 3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 69 89.140 13.553 3.933 1.00 0.00 H new ATOM 1044 N ASP A 70 85.074 10.135 3.156 1.00 0.00 N ATOM 1045 CA ASP A 70 84.365 8.913 3.593 1.00 0.00 C ATOM 1046 C ASP A 70 84.333 7.970 2.405 1.00 0.00 C ATOM 1047 O ASP A 70 84.428 6.765 2.537 1.00 0.00 O ATOM 1048 CB ASP A 70 82.959 9.386 3.963 1.00 0.00 C ATOM 1049 CG ASP A 70 82.059 8.182 4.235 1.00 0.00 C ATOM 1050 OD1 ASP A 70 82.512 7.265 4.901 1.00 0.00 O ATOM 1051 OD2 ASP A 70 80.931 8.198 3.771 1.00 0.00 O ATOM 0 H ASP A 70 84.470 10.911 2.886 1.00 0.00 H new ATOM 0 HA ASP A 70 84.828 8.396 4.434 1.00 0.00 H new ATOM 0 HB2 ASP A 70 83.002 10.026 4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.543 9.986 3.154 1.00 0.00 H new ATOM 1056 N LEU A 71 84.232 8.530 1.230 1.00 0.00 N ATOM 1057 CA LEU A 71 84.227 7.692 0.014 1.00 0.00 C ATOM 1058 C LEU A 71 85.657 7.227 -0.274 1.00 0.00 C ATOM 1059 O LEU A 71 85.888 6.125 -0.736 1.00 0.00 O ATOM 1060 CB LEU A 71 83.714 8.600 -1.103 1.00 0.00 C ATOM 1061 CG LEU A 71 83.391 7.760 -2.338 1.00 0.00 C ATOM 1062 CD1 LEU A 71 82.440 8.537 -3.249 1.00 0.00 C ATOM 1063 CD2 LEU A 71 84.684 7.451 -3.097 1.00 0.00 C ATOM 0 H LEU A 71 84.153 9.534 1.067 1.00 0.00 H new ATOM 0 HA LEU A 71 83.604 6.803 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 71 82.824 9.134 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.464 9.352 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 71 82.918 6.828 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 71 82.210 7.938 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 71 81.519 8.758 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 71 82.913 9.469 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 71 84.454 6.852 -3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 71 85.157 8.384 -3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 71 85.363 6.897 -2.449 1.00 0.00 H new ATOM 1075 N GLU A 72 86.623 8.061 0.016 1.00 0.00 N ATOM 1076 CA GLU A 72 88.043 7.676 -0.219 1.00 0.00 C ATOM 1077 C GLU A 72 88.425 6.538 0.729 1.00 0.00 C ATOM 1078 O GLU A 72 89.129 5.613 0.361 1.00 0.00 O ATOM 1079 CB GLU A 72 88.855 8.934 0.091 1.00 0.00 C ATOM 1080 CG GLU A 72 89.451 9.488 -1.205 1.00 0.00 C ATOM 1081 CD GLU A 72 88.506 10.538 -1.793 1.00 0.00 C ATOM 1082 OE1 GLU A 72 88.606 11.686 -1.394 1.00 0.00 O ATOM 1083 OE2 GLU A 72 87.699 10.175 -2.633 1.00 0.00 O ATOM 0 H GLU A 72 86.487 8.994 0.406 1.00 0.00 H new ATOM 0 HA GLU A 72 88.222 7.326 -1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.219 9.684 0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.650 8.701 0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 72 90.427 9.931 -1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 72 89.606 8.681 -1.921 1.00 0.00 H new ATOM 1090 N LYS A 73 87.932 6.571 1.938 1.00 0.00 N ATOM 1091 CA LYS A 73 88.239 5.468 2.874 1.00 0.00 C ATOM 1092 C LYS A 73 87.451 4.268 2.396 1.00 0.00 C ATOM 1093 O LYS A 73 87.833 3.129 2.580 1.00 0.00 O ATOM 1094 CB LYS A 73 87.750 5.941 4.243 1.00 0.00 C ATOM 1095 CG LYS A 73 88.932 6.482 5.048 1.00 0.00 C ATOM 1096 CD LYS A 73 88.425 7.477 6.095 1.00 0.00 C ATOM 1097 CE LYS A 73 88.936 8.878 5.754 1.00 0.00 C ATOM 1098 NZ LYS A 73 89.393 9.447 7.053 1.00 0.00 N ATOM 0 H LYS A 73 87.336 7.310 2.310 1.00 0.00 H new ATOM 0 HA LYS A 73 89.295 5.204 2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 73 86.993 6.716 4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 73 87.279 5.116 4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 73 89.459 5.662 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 73 89.646 6.969 4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 73 87.335 7.472 6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 73 88.768 7.184 7.087 1.00 0.00 H new ATOM 0 HE2 LYS A 73 89.752 8.836 5.032 1.00 0.00 H new ATOM 0 HE3 LYS A 73 88.149 9.488 5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 89.939 10.315 6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 88.567 9.670 7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 89.993 8.754 7.544 1.00 0.00 H new ATOM 1112 N ALA A 74 86.352 4.534 1.749 1.00 0.00 N ATOM 1113 CA ALA A 74 85.524 3.437 1.217 1.00 0.00 C ATOM 1114 C ALA A 74 86.331 2.660 0.182 1.00 0.00 C ATOM 1115 O ALA A 74 86.213 1.459 0.055 1.00 0.00 O ATOM 1116 CB ALA A 74 84.324 4.119 0.566 1.00 0.00 C ATOM 0 H ALA A 74 85.996 5.473 1.569 1.00 0.00 H new ATOM 0 HA ALA A 74 85.209 2.732 1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.660 3.364 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.785 4.700 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.669 4.781 -0.228 1.00 0.00 H new ATOM 1122 N LEU A 75 87.172 3.346 -0.546 1.00 0.00 N ATOM 1123 CA LEU A 75 88.011 2.659 -1.559 1.00 0.00 C ATOM 1124 C LEU A 75 89.059 1.831 -0.830 1.00 0.00 C ATOM 1125 O LEU A 75 89.298 0.683 -1.151 1.00 0.00 O ATOM 1126 CB LEU A 75 88.669 3.780 -2.367 1.00 0.00 C ATOM 1127 CG LEU A 75 89.157 3.223 -3.706 1.00 0.00 C ATOM 1128 CD1 LEU A 75 89.478 4.379 -4.653 1.00 0.00 C ATOM 1129 CD2 LEU A 75 90.418 2.386 -3.478 1.00 0.00 C ATOM 0 H LEU A 75 87.311 4.354 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 75 87.444 1.992 -2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.957 4.588 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.505 4.202 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 75 88.379 2.599 -4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 75 89.826 3.982 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 75 88.581 4.977 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 75 90.256 5.003 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 75 90.768 1.988 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 75 91.195 3.011 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 75 90.190 1.562 -2.802 1.00 0.00 H new ATOM 1141 N GLU A 76 89.672 2.400 0.173 1.00 0.00 N ATOM 1142 CA GLU A 76 90.683 1.634 0.942 1.00 0.00 C ATOM 1143 C GLU A 76 89.976 0.684 1.909 1.00 0.00 C ATOM 1144 O GLU A 76 90.601 -0.033 2.664 1.00 0.00 O ATOM 1145 CB GLU A 76 91.471 2.682 1.718 1.00 0.00 C ATOM 1146 CG GLU A 76 92.863 2.839 1.105 1.00 0.00 C ATOM 1147 CD GLU A 76 93.924 2.527 2.161 1.00 0.00 C ATOM 1148 OE1 GLU A 76 93.700 1.623 2.948 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.943 3.198 2.164 1.00 0.00 O ATOM 0 H GLU A 76 89.515 3.357 0.489 1.00 0.00 H new ATOM 0 HA GLU A 76 91.328 1.034 0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 76 90.944 3.636 1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.555 2.387 2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 76 92.974 2.168 0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 76 92.995 3.854 0.731 1.00 0.00 H new ATOM 1156 N LEU A 77 88.669 0.677 1.891 1.00 0.00 N ATOM 1157 CA LEU A 77 87.909 -0.219 2.806 1.00 0.00 C ATOM 1158 C LEU A 77 87.875 -1.646 2.250 1.00 0.00 C ATOM 1159 O LEU A 77 87.128 -2.482 2.716 1.00 0.00 O ATOM 1160 CB LEU A 77 86.500 0.372 2.855 1.00 0.00 C ATOM 1161 CG LEU A 77 86.152 0.758 4.293 1.00 0.00 C ATOM 1162 CD1 LEU A 77 86.506 -0.395 5.233 1.00 0.00 C ATOM 1163 CD2 LEU A 77 86.945 2.002 4.696 1.00 0.00 C ATOM 0 H LEU A 77 88.095 1.256 1.279 1.00 0.00 H new ATOM 0 HA LEU A 77 88.363 -0.278 3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.440 1.248 2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 77 85.778 -0.353 2.478 1.00 0.00 H new ATOM 0 HG LEU A 77 85.085 0.969 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 77 86.257 -0.119 6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 77 85.940 -1.283 4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 77 87.573 -0.607 5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 77 86.696 2.276 5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 77 88.012 1.792 4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 77 86.693 2.826 4.029 1.00 0.00 H new ATOM 1175 N THR A 78 88.678 -1.938 1.262 1.00 0.00 N ATOM 1176 CA THR A 78 88.681 -3.315 0.697 1.00 0.00 C ATOM 1177 C THR A 78 89.469 -4.254 1.605 1.00 0.00 C ATOM 1178 O THR A 78 89.639 -5.423 1.319 1.00 0.00 O ATOM 1179 CB THR A 78 89.353 -3.191 -0.669 1.00 0.00 C ATOM 1180 OG1 THR A 78 88.950 -1.976 -1.287 1.00 0.00 O ATOM 1181 CG2 THR A 78 88.948 -4.374 -1.550 1.00 0.00 C ATOM 0 H THR A 78 89.328 -1.285 0.825 1.00 0.00 H new ATOM 0 HA THR A 78 87.675 -3.727 0.612 1.00 0.00 H new ATOM 0 HB THR A 78 90.436 -3.191 -0.542 1.00 0.00 H new ATOM 0 HG1 THR A 78 89.605 -1.275 -1.088 1.00 0.00 H new ATOM 0 HG21 THR A 78 89.429 -4.284 -2.524 1.00 0.00 H new ATOM 0 HG22 THR A 78 89.261 -5.304 -1.076 1.00 0.00 H new ATOM 0 HG23 THR A 78 87.866 -4.378 -1.678 1.00 0.00 H new ATOM 1189 N GLY A 79 89.943 -3.747 2.701 1.00 0.00 N ATOM 1190 CA GLY A 79 90.718 -4.602 3.647 1.00 0.00 C ATOM 1191 C GLY A 79 89.796 -5.076 4.773 1.00 0.00 C ATOM 1192 O GLY A 79 90.210 -5.228 5.906 1.00 0.00 O ATOM 0 H GLY A 79 89.830 -2.775 2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.138 -5.459 3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.556 -4.040 4.060 1.00 0.00 H new ATOM 1196 N LEU A 80 88.546 -5.301 4.473 1.00 0.00 N ATOM 1197 CA LEU A 80 87.588 -5.754 5.514 1.00 0.00 C ATOM 1198 C LEU A 80 87.395 -7.269 5.458 1.00 0.00 C ATOM 1199 O LEU A 80 88.145 -7.985 4.826 1.00 0.00 O ATOM 1200 CB LEU A 80 86.291 -5.038 5.157 1.00 0.00 C ATOM 1201 CG LEU A 80 86.435 -3.541 5.436 1.00 0.00 C ATOM 1202 CD1 LEU A 80 85.065 -2.869 5.333 1.00 0.00 C ATOM 1203 CD2 LEU A 80 86.998 -3.330 6.843 1.00 0.00 C ATOM 0 H LEU A 80 88.146 -5.188 3.541 1.00 0.00 H new ATOM 0 HA LEU A 80 87.933 -5.529 6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 80 86.052 -5.201 4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 80 85.466 -5.448 5.739 1.00 0.00 H new ATOM 0 HG LEU A 80 87.114 -3.103 4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 80 85.167 -1.802 5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 80 84.663 -3.014 4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 80 84.387 -3.311 6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 80 87.099 -2.262 7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.321 -3.770 7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 80 87.975 -3.807 6.919 1.00 0.00 H new ATOM 1215 N LYS A 81 86.385 -7.752 6.124 1.00 0.00 N ATOM 1216 CA LYS A 81 86.106 -9.218 6.134 1.00 0.00 C ATOM 1217 C LYS A 81 84.722 -9.463 6.696 1.00 0.00 C ATOM 1218 O LYS A 81 84.515 -10.264 7.584 1.00 0.00 O ATOM 1219 CB LYS A 81 87.144 -9.811 7.050 1.00 0.00 C ATOM 1220 CG LYS A 81 88.122 -10.667 6.245 1.00 0.00 C ATOM 1221 CD LYS A 81 89.351 -10.981 7.100 1.00 0.00 C ATOM 1222 CE LYS A 81 90.616 -10.848 6.247 1.00 0.00 C ATOM 1223 NZ LYS A 81 91.611 -10.187 7.138 1.00 0.00 N ATOM 0 H LYS A 81 85.732 -7.189 6.669 1.00 0.00 H new ATOM 0 HA LYS A 81 86.145 -9.656 5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.683 -9.016 7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.661 -10.418 7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 81 87.639 -11.592 5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 81 88.421 -10.141 5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 81 89.399 -10.300 7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 81 89.277 -11.990 7.505 1.00 0.00 H new ATOM 0 HE2 LYS A 81 90.971 -11.823 5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 81 90.429 -10.253 5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 92.507 -10.061 6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 91.248 -9.259 7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 91.774 -10.780 7.977 1.00 0.00 H new ATOM 1237 N VAL A 82 83.791 -8.751 6.177 1.00 0.00 N ATOM 1238 CA VAL A 82 82.377 -8.877 6.644 1.00 0.00 C ATOM 1239 C VAL A 82 82.045 -10.345 6.946 1.00 0.00 C ATOM 1240 O VAL A 82 82.241 -11.217 6.123 1.00 0.00 O ATOM 1241 CB VAL A 82 81.523 -8.326 5.491 1.00 0.00 C ATOM 1242 CG1 VAL A 82 81.069 -9.456 4.560 1.00 0.00 C ATOM 1243 CG2 VAL A 82 80.291 -7.624 6.068 1.00 0.00 C ATOM 0 H VAL A 82 83.936 -8.068 5.433 1.00 0.00 H new ATOM 0 HA VAL A 82 82.191 -8.329 7.568 1.00 0.00 H new ATOM 0 HB VAL A 82 82.125 -7.622 4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 82 80.466 -9.042 3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 82 81.943 -9.956 4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 82 80.475 -10.175 5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 82 79.682 -7.231 5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 82 79.705 -8.336 6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 82 80.608 -6.804 6.712 1.00 0.00 H new ATOM 1253 N PHE A 83 81.548 -10.620 8.118 1.00 0.00 N ATOM 1254 CA PHE A 83 81.209 -12.027 8.474 1.00 0.00 C ATOM 1255 C PHE A 83 82.311 -12.980 7.996 1.00 0.00 C ATOM 1256 O PHE A 83 82.072 -14.143 7.743 1.00 0.00 O ATOM 1257 CB PHE A 83 79.893 -12.311 7.749 1.00 0.00 C ATOM 1258 CG PHE A 83 78.739 -11.971 8.659 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.331 -12.880 9.642 1.00 0.00 C ATOM 1260 CD2 PHE A 83 78.076 -10.745 8.521 1.00 0.00 C ATOM 1261 CE1 PHE A 83 77.261 -12.563 10.488 1.00 0.00 C ATOM 1262 CE2 PHE A 83 77.008 -10.428 9.368 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.601 -11.337 10.351 1.00 0.00 C ATOM 0 H PHE A 83 81.361 -9.931 8.847 1.00 0.00 H new ATOM 0 HA PHE A 83 81.119 -12.171 9.551 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.835 -11.723 6.833 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.844 -13.360 7.457 1.00 0.00 H new ATOM 0 HD1 PHE A 83 78.841 -13.826 9.748 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.389 -10.044 7.761 1.00 0.00 H new ATOM 0 HE1 PHE A 83 76.945 -13.265 11.246 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.498 -9.482 9.263 1.00 0.00 H new ATOM 0 HZ PHE A 83 75.777 -11.092 11.004 1.00 0.00 H new ATOM 1273 N GLY A 84 83.520 -12.496 7.877 1.00 0.00 N ATOM 1274 CA GLY A 84 84.636 -13.376 7.422 1.00 0.00 C ATOM 1275 C GLY A 84 84.756 -13.316 5.899 1.00 0.00 C ATOM 1276 O GLY A 84 85.308 -14.199 5.273 1.00 0.00 O ATOM 0 H GLY A 84 83.782 -11.530 8.075 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.572 -13.059 7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 84 84.455 -14.402 7.741 1.00 0.00 H new ATOM 1280 N ASN A 85 84.251 -12.276 5.299 1.00 0.00 N ATOM 1281 CA ASN A 85 84.339 -12.146 3.817 1.00 0.00 C ATOM 1282 C ASN A 85 84.737 -10.716 3.456 1.00 0.00 C ATOM 1283 O ASN A 85 83.921 -9.817 3.454 1.00 0.00 O ATOM 1284 CB ASN A 85 82.935 -12.467 3.302 1.00 0.00 C ATOM 1285 CG ASN A 85 82.454 -13.782 3.916 1.00 0.00 C ATOM 1286 OD1 ASN A 85 82.972 -14.837 3.605 1.00 0.00 O ATOM 1287 ND2 ASN A 85 81.477 -13.766 4.781 1.00 0.00 N ATOM 0 H ASN A 85 83.779 -11.506 5.773 1.00 0.00 H new ATOM 0 HA ASN A 85 85.084 -12.810 3.379 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.249 -11.661 3.560 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.944 -12.543 2.215 1.00 0.00 H new ATOM 0 HD21 ASN A 85 81.149 -14.638 5.196 1.00 0.00 H new ATOM 0 HD22 ASN A 85 81.042 -12.881 5.043 1.00 0.00 H new ATOM 1294 N GLU A 86 85.987 -10.495 3.168 1.00 0.00 N ATOM 1295 CA GLU A 86 86.439 -9.118 2.828 1.00 0.00 C ATOM 1296 C GLU A 86 85.517 -8.492 1.783 1.00 0.00 C ATOM 1297 O GLU A 86 85.727 -8.621 0.593 1.00 0.00 O ATOM 1298 CB GLU A 86 87.852 -9.292 2.276 1.00 0.00 C ATOM 1299 CG GLU A 86 88.269 -8.031 1.514 1.00 0.00 C ATOM 1300 CD GLU A 86 88.347 -8.342 0.018 1.00 0.00 C ATOM 1301 OE1 GLU A 86 87.776 -9.340 -0.390 1.00 0.00 O ATOM 1302 OE2 GLU A 86 88.977 -7.577 -0.693 1.00 0.00 O ATOM 0 H GLU A 86 86.716 -11.208 3.153 1.00 0.00 H new ATOM 0 HA GLU A 86 86.420 -8.453 3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.550 -9.483 3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 86 87.890 -10.157 1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 86 87.551 -7.231 1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 86 89.236 -7.678 1.874 1.00 0.00 H new ATOM 1309 N ILE A 87 84.501 -7.807 2.225 1.00 0.00 N ATOM 1310 CA ILE A 87 83.567 -7.163 1.262 1.00 0.00 C ATOM 1311 C ILE A 87 84.357 -6.384 0.217 1.00 0.00 C ATOM 1312 O ILE A 87 85.280 -5.658 0.531 1.00 0.00 O ATOM 1313 CB ILE A 87 82.697 -6.209 2.087 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.543 -5.532 3.171 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.562 -6.993 2.742 1.00 0.00 C ATOM 1316 CD1 ILE A 87 83.267 -4.028 3.167 1.00 0.00 C ATOM 0 H ILE A 87 84.277 -7.665 3.210 1.00 0.00 H new ATOM 0 HA ILE A 87 82.959 -7.900 0.737 1.00 0.00 H new ATOM 0 HB ILE A 87 82.283 -5.445 1.429 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.307 -5.953 4.148 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.602 -5.719 2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 87 80.943 -6.315 3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 87 80.953 -7.465 1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 87 81.979 -7.760 3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.868 -3.546 3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 87 83.525 -3.613 2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 87 82.210 -3.851 3.368 1.00 0.00 H new ATOM 1328 N LYS A 88 83.993 -6.517 -1.022 1.00 0.00 N ATOM 1329 CA LYS A 88 84.707 -5.775 -2.092 1.00 0.00 C ATOM 1330 C LYS A 88 83.842 -4.607 -2.543 1.00 0.00 C ATOM 1331 O LYS A 88 82.637 -4.647 -2.435 1.00 0.00 O ATOM 1332 CB LYS A 88 84.892 -6.777 -3.229 1.00 0.00 C ATOM 1333 CG LYS A 88 85.430 -6.052 -4.465 1.00 0.00 C ATOM 1334 CD LYS A 88 86.681 -6.771 -4.974 1.00 0.00 C ATOM 1335 CE LYS A 88 86.277 -8.091 -5.635 1.00 0.00 C ATOM 1336 NZ LYS A 88 87.339 -8.357 -6.645 1.00 0.00 N ATOM 0 H LYS A 88 83.228 -7.110 -1.343 1.00 0.00 H new ATOM 0 HA LYS A 88 85.665 -5.374 -1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 88 85.583 -7.564 -2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 88 83.942 -7.259 -3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 88 84.669 -6.027 -5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 88 85.667 -5.017 -4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 88 87.210 -6.141 -5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 88 87.366 -6.960 -4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 88 86.217 -8.897 -4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 88 85.296 -8.013 -6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 87.131 -9.247 -7.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 87.368 -7.577 -7.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 88.260 -8.433 -6.168 1.00 0.00 H new ATOM 1350 N LEU A 89 84.445 -3.568 -3.030 1.00 0.00 N ATOM 1351 CA LEU A 89 83.658 -2.392 -3.476 1.00 0.00 C ATOM 1352 C LEU A 89 83.988 -2.047 -4.930 1.00 0.00 C ATOM 1353 O LEU A 89 84.886 -2.609 -5.525 1.00 0.00 O ATOM 1354 CB LEU A 89 84.087 -1.256 -2.547 1.00 0.00 C ATOM 1355 CG LEU A 89 85.584 -1.351 -2.244 1.00 0.00 C ATOM 1356 CD1 LEU A 89 86.164 0.056 -2.097 1.00 0.00 C ATOM 1357 CD2 LEU A 89 85.792 -2.125 -0.940 1.00 0.00 C ATOM 0 H LEU A 89 85.455 -3.480 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 89 82.585 -2.576 -3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 89 83.864 -0.295 -3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 89 83.518 -1.302 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 89 86.088 -1.869 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 89 87.230 -0.011 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 89 86.015 0.609 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.660 0.574 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.858 -2.193 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.289 -1.606 -0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.378 -3.128 -1.042 1.00 0.00 H new ATOM 1369 N GLU A 90 83.266 -1.124 -5.503 1.00 0.00 N ATOM 1370 CA GLU A 90 83.533 -0.737 -6.918 1.00 0.00 C ATOM 1371 C GLU A 90 82.852 0.596 -7.236 1.00 0.00 C ATOM 1372 O GLU A 90 82.118 1.137 -6.432 1.00 0.00 O ATOM 1373 CB GLU A 90 82.930 -1.862 -7.758 1.00 0.00 C ATOM 1374 CG GLU A 90 83.920 -2.274 -8.848 1.00 0.00 C ATOM 1375 CD GLU A 90 83.256 -3.281 -9.788 1.00 0.00 C ATOM 1376 OE1 GLU A 90 82.053 -3.189 -9.969 1.00 0.00 O ATOM 1377 OE2 GLU A 90 83.962 -4.127 -10.313 1.00 0.00 O ATOM 0 H GLU A 90 82.502 -0.620 -5.053 1.00 0.00 H new ATOM 0 HA GLU A 90 84.597 -0.607 -7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 90 82.695 -2.717 -7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 90 81.994 -1.532 -8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 90 84.245 -1.398 -9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 90 84.810 -2.713 -8.398 1.00 0.00 H new