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 -18:sc= -1.51! USER MOD Set 1.2: A 19 ASN :FLIP amide:sc= -3.57! C(o=-7.8!,f=-5.1!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.293 K(o=0.29,f=-2.6!) USER MOD Single : A 26 ASN : amide:sc= -5.05! C(o=-5.1!,f=-5.1!) USER MOD Single : A 28 ASN : amide:sc= -0.208 X(o=-0.21,f=0) 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+ -133:sc= -1.4 (180deg=-3.57!) USER MOD Single : A 39 SER OG : rot -59:sc= 0.0301 USER MOD Single : A 44 LYS NZ :NH3+ -149:sc= 0.118 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.64! X(o=-1.6!,f=-1.6) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 147:sc= 1.19 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -3.42! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.96! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -7.48! C(o=-7.5!,f=-14!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.883 9.281 -2.359 1.00 0.00 N ATOM 191 CA THR A 15 70.619 10.321 -1.323 1.00 0.00 C ATOM 192 C THR A 15 71.904 11.082 -1.001 1.00 0.00 C ATOM 193 O THR A 15 71.879 12.195 -0.516 1.00 0.00 O ATOM 194 CB THR A 15 70.127 9.543 -0.101 1.00 0.00 C ATOM 195 OG1 THR A 15 69.475 10.432 0.794 1.00 0.00 O ATOM 196 CG2 THR A 15 71.311 8.880 0.606 1.00 0.00 C ATOM 0 HA THR A 15 69.890 11.062 -1.653 1.00 0.00 H new ATOM 0 HB THR A 15 69.427 8.772 -0.424 1.00 0.00 H new ATOM 0 HG1 THR A 15 69.158 9.934 1.576 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.953 8.328 1.475 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.807 8.194 -0.081 1.00 0.00 H new ATOM 0 HG23 THR A 15 72.017 9.645 0.928 1.00 0.00 H new ATOM 204 N THR A 16 73.024 10.482 -1.269 1.00 0.00 N ATOM 205 CA THR A 16 74.322 11.157 -0.984 1.00 0.00 C ATOM 206 C THR A 16 75.128 11.330 -2.273 1.00 0.00 C ATOM 207 O THR A 16 74.849 10.694 -3.271 1.00 0.00 O ATOM 208 CB THR A 16 75.052 10.223 -0.017 1.00 0.00 C ATOM 209 OG1 THR A 16 75.433 9.039 -0.704 1.00 0.00 O ATOM 210 CG2 THR A 16 74.126 9.867 1.147 1.00 0.00 C ATOM 0 H THR A 16 73.101 9.549 -1.675 1.00 0.00 H new ATOM 0 HA THR A 16 74.183 12.153 -0.563 1.00 0.00 H new ATOM 0 HB THR A 16 75.941 10.720 0.370 1.00 0.00 H new ATOM 0 HG1 THR A 16 74.911 8.957 -1.529 1.00 0.00 H new ATOM 0 HG21 THR A 16 74.647 9.202 1.836 1.00 0.00 H new ATOM 0 HG22 THR A 16 73.835 10.777 1.672 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.235 9.368 0.764 1.00 0.00 H new ATOM 218 N PRO A 17 76.103 12.193 -2.207 1.00 0.00 N ATOM 219 CA PRO A 17 76.964 12.466 -3.383 1.00 0.00 C ATOM 220 C PRO A 17 77.942 11.310 -3.617 1.00 0.00 C ATOM 221 O PRO A 17 78.371 11.066 -4.728 1.00 0.00 O ATOM 222 CB PRO A 17 77.714 13.736 -2.990 1.00 0.00 C ATOM 223 CG PRO A 17 77.718 13.739 -1.494 1.00 0.00 C ATOM 224 CD PRO A 17 76.488 12.995 -1.040 1.00 0.00 C ATOM 0 HA PRO A 17 76.398 12.576 -4.308 1.00 0.00 H new ATOM 0 HB2 PRO A 17 78.729 13.733 -3.387 1.00 0.00 H new ATOM 0 HB3 PRO A 17 77.220 14.624 -3.385 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.619 13.260 -1.111 1.00 0.00 H new ATOM 0 HG3 PRO A 17 77.712 14.760 -1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.699 12.365 -0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 17 75.693 13.681 -0.748 1.00 0.00 H new ATOM 232 N PHE A 18 78.301 10.597 -2.583 1.00 0.00 N ATOM 233 CA PHE A 18 79.253 9.464 -2.759 1.00 0.00 C ATOM 234 C PHE A 18 78.503 8.130 -2.740 1.00 0.00 C ATOM 235 O PHE A 18 77.964 7.722 -1.732 1.00 0.00 O ATOM 236 CB PHE A 18 80.206 9.563 -1.567 1.00 0.00 C ATOM 237 CG PHE A 18 81.011 10.835 -1.676 1.00 0.00 C ATOM 238 CD1 PHE A 18 82.152 10.874 -2.487 1.00 0.00 C ATOM 239 CD2 PHE A 18 80.614 11.976 -0.970 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.896 12.056 -2.590 1.00 0.00 C ATOM 241 CE2 PHE A 18 81.358 13.158 -1.072 1.00 0.00 C ATOM 242 CZ PHE A 18 82.499 13.197 -1.882 1.00 0.00 C ATOM 0 H PHE A 18 77.977 10.750 -1.628 1.00 0.00 H new ATOM 0 HA PHE A 18 79.782 9.513 -3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.642 9.555 -0.634 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.871 8.699 -1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.458 9.993 -3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 18 79.733 11.945 -0.346 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.776 12.088 -3.215 1.00 0.00 H new ATOM 0 HE2 PHE A 18 81.052 14.038 -0.526 1.00 0.00 H new ATOM 0 HZ PHE A 18 83.074 14.108 -1.961 1.00 0.00 H new ATOM 252 N ASN A 19 78.465 7.450 -3.851 1.00 0.00 N ATOM 253 CA ASN A 19 77.754 6.145 -3.906 1.00 0.00 C ATOM 254 C ASN A 19 78.519 5.177 -4.812 1.00 0.00 C ATOM 255 O ASN A 19 79.205 5.580 -5.729 1.00 0.00 O ATOM 256 CB ASN A 19 76.387 6.469 -4.503 1.00 0.00 C ATOM 257 CG ASN A 19 75.824 7.735 -3.852 1.00 0.00 C ATOM 258 OD1 ASN A 19 74.868 7.632 -2.969 1.00 0.00 O flip ATOM 259 ND2 ASN A 19 76.260 8.829 -4.150 1.00 0.00 N flip ATOM 0 H ASN A 19 78.898 7.744 -4.727 1.00 0.00 H new ATOM 0 HA ASN A 19 77.669 5.672 -2.928 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.475 6.611 -5.580 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.704 5.634 -4.346 1.00 0.00 H new ATOM 0 HD21 ASN A 19 77.007 8.910 -4.840 1.00 0.00 H new ATOM 0 HD22 ASN A 19 75.879 9.667 -3.710 1.00 0.00 H new ATOM 266 N LEU A 20 78.404 3.904 -4.563 1.00 0.00 N ATOM 267 CA LEU A 20 79.124 2.912 -5.410 1.00 0.00 C ATOM 268 C LEU A 20 78.502 1.522 -5.250 1.00 0.00 C ATOM 269 O LEU A 20 77.513 1.347 -4.563 1.00 0.00 O ATOM 270 CB LEU A 20 80.564 2.917 -4.896 1.00 0.00 C ATOM 271 CG LEU A 20 80.568 2.749 -3.376 1.00 0.00 C ATOM 272 CD1 LEU A 20 80.189 1.312 -3.017 1.00 0.00 C ATOM 273 CD2 LEU A 20 81.967 3.056 -2.837 1.00 0.00 C ATOM 0 H LEU A 20 77.843 3.506 -3.810 1.00 0.00 H new ATOM 0 HA LEU A 20 79.069 3.163 -6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 20 81.130 2.111 -5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 20 81.055 3.851 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 20 79.845 3.434 -2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 20 80.193 1.195 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 20 79.194 1.091 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 20 80.910 0.624 -3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 20 81.974 2.937 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 20 82.687 2.369 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 20 82.238 4.081 -3.091 1.00 0.00 H new ATOM 285 N PHE A 21 79.075 0.533 -5.879 1.00 0.00 N ATOM 286 CA PHE A 21 78.516 -0.845 -5.768 1.00 0.00 C ATOM 287 C PHE A 21 79.437 -1.729 -4.922 1.00 0.00 C ATOM 288 O PHE A 21 80.597 -1.427 -4.724 1.00 0.00 O ATOM 289 CB PHE A 21 78.452 -1.362 -7.206 1.00 0.00 C ATOM 290 CG PHE A 21 77.553 -2.572 -7.269 1.00 0.00 C ATOM 291 CD1 PHE A 21 78.018 -3.814 -6.819 1.00 0.00 C ATOM 292 CD2 PHE A 21 76.254 -2.454 -7.777 1.00 0.00 C ATOM 293 CE1 PHE A 21 77.184 -4.937 -6.877 1.00 0.00 C ATOM 294 CE2 PHE A 21 75.420 -3.576 -7.836 1.00 0.00 C ATOM 295 CZ PHE A 21 75.885 -4.818 -7.386 1.00 0.00 C ATOM 0 H PHE A 21 79.906 0.619 -6.465 1.00 0.00 H new ATOM 0 HA PHE A 21 77.539 -0.854 -5.285 1.00 0.00 H new ATOM 0 HB2 PHE A 21 78.075 -0.582 -7.867 1.00 0.00 H new ATOM 0 HB3 PHE A 21 79.452 -1.621 -7.555 1.00 0.00 H new ATOM 0 HD1 PHE A 21 79.020 -3.906 -6.427 1.00 0.00 H new ATOM 0 HD2 PHE A 21 75.895 -1.496 -8.124 1.00 0.00 H new ATOM 0 HE1 PHE A 21 77.542 -5.895 -6.529 1.00 0.00 H new ATOM 0 HE2 PHE A 21 74.418 -3.484 -8.228 1.00 0.00 H new ATOM 0 HZ PHE A 21 75.242 -5.684 -7.432 1.00 0.00 H new ATOM 305 N ILE A 22 78.927 -2.824 -4.427 1.00 0.00 N ATOM 306 CA ILE A 22 79.766 -3.736 -3.599 1.00 0.00 C ATOM 307 C ILE A 22 79.444 -5.192 -3.943 1.00 0.00 C ATOM 308 O ILE A 22 78.397 -5.497 -4.480 1.00 0.00 O ATOM 309 CB ILE A 22 79.390 -3.419 -2.149 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.111 -2.143 -1.708 1.00 0.00 C ATOM 311 CG2 ILE A 22 79.809 -4.579 -1.242 1.00 0.00 C ATOM 312 CD1 ILE A 22 79.982 -1.978 -0.193 1.00 0.00 C ATOM 0 H ILE A 22 77.962 -3.127 -4.561 1.00 0.00 H new ATOM 0 HA ILE A 22 80.833 -3.597 -3.774 1.00 0.00 H new ATOM 0 HB ILE A 22 78.312 -3.276 -2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.163 -2.191 -1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 22 79.684 -1.278 -2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 22 79.540 -4.350 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.299 -5.489 -1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 22 80.887 -4.725 -1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 22 80.496 -1.069 0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 22 78.928 -1.910 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.430 -2.837 0.306 1.00 0.00 H new ATOM 324 N GLY A 23 80.339 -6.092 -3.644 1.00 0.00 N ATOM 325 CA GLY A 23 80.086 -7.525 -3.958 1.00 0.00 C ATOM 326 C GLY A 23 80.666 -8.404 -2.852 1.00 0.00 C ATOM 327 O GLY A 23 81.372 -7.937 -1.980 1.00 0.00 O ATOM 0 H GLY A 23 81.234 -5.897 -3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 23 79.015 -7.703 -4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.538 -7.783 -4.916 1.00 0.00 H new ATOM 331 N ASN A 24 80.372 -9.675 -2.878 1.00 0.00 N ATOM 332 CA ASN A 24 80.904 -10.588 -1.826 1.00 0.00 C ATOM 333 C ASN A 24 80.267 -10.255 -0.475 1.00 0.00 C ATOM 334 O ASN A 24 80.904 -9.711 0.407 1.00 0.00 O ATOM 335 CB ASN A 24 82.411 -10.325 -1.791 1.00 0.00 C ATOM 336 CG ASN A 24 83.142 -11.596 -1.354 1.00 0.00 C ATOM 337 OD1 ASN A 24 82.627 -12.687 -1.501 1.00 0.00 O ATOM 338 ND2 ASN A 24 84.329 -11.501 -0.820 1.00 0.00 N ATOM 0 H ASN A 24 79.786 -10.122 -3.583 1.00 0.00 H new ATOM 0 HA ASN A 24 80.683 -11.635 -2.035 1.00 0.00 H new ATOM 0 HB2 ASN A 24 82.759 -10.013 -2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.633 -9.510 -1.102 1.00 0.00 H new ATOM 0 HD21 ASN A 24 84.825 -12.343 -0.526 1.00 0.00 H new ATOM 0 HD22 ASN A 24 84.761 -10.585 -0.697 1.00 0.00 H new ATOM 345 N LEU A 25 79.013 -10.572 -0.309 1.00 0.00 N ATOM 346 CA LEU A 25 78.331 -10.270 0.981 1.00 0.00 C ATOM 347 C LEU A 25 78.126 -11.554 1.788 1.00 0.00 C ATOM 348 O LEU A 25 77.303 -11.615 2.680 1.00 0.00 O ATOM 349 CB LEU A 25 76.986 -9.667 0.578 1.00 0.00 C ATOM 350 CG LEU A 25 77.168 -8.186 0.246 1.00 0.00 C ATOM 351 CD1 LEU A 25 77.507 -7.411 1.520 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.308 -8.028 -0.763 1.00 0.00 C ATOM 0 H LEU A 25 78.430 -11.028 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 25 78.912 -9.595 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 25 76.582 -10.197 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.266 -9.783 1.388 1.00 0.00 H new ATOM 0 HG LEU A 25 76.244 -7.795 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 25 77.636 -6.356 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 25 76.697 -7.523 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 25 78.430 -7.801 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.439 -6.972 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.230 -8.421 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 25 78.067 -8.578 -1.673 1.00 0.00 H new ATOM 364 N ASN A 26 78.870 -12.580 1.482 1.00 0.00 N ATOM 365 CA ASN A 26 78.722 -13.861 2.231 1.00 0.00 C ATOM 366 C ASN A 26 77.272 -14.347 2.168 1.00 0.00 C ATOM 367 O ASN A 26 76.427 -13.882 2.907 1.00 0.00 O ATOM 368 CB ASN A 26 79.111 -13.527 3.672 1.00 0.00 C ATOM 369 CG ASN A 26 80.087 -14.582 4.194 1.00 0.00 C ATOM 370 OD1 ASN A 26 80.974 -15.011 3.483 1.00 0.00 O ATOM 371 ND2 ASN A 26 79.960 -15.021 5.416 1.00 0.00 N ATOM 0 H ASN A 26 79.575 -12.588 0.745 1.00 0.00 H new ATOM 0 HA ASN A 26 79.342 -14.655 1.815 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.569 -12.539 3.717 1.00 0.00 H new ATOM 0 HB3 ASN A 26 78.222 -13.495 4.302 1.00 0.00 H new ATOM 0 HD21 ASN A 26 80.605 -15.725 5.775 1.00 0.00 H new ATOM 0 HD22 ASN A 26 79.215 -14.661 6.013 1.00 0.00 H new ATOM 378 N PRO A 27 77.036 -15.275 1.282 1.00 0.00 N ATOM 379 CA PRO A 27 75.675 -15.841 1.116 1.00 0.00 C ATOM 380 C PRO A 27 75.337 -16.764 2.290 1.00 0.00 C ATOM 381 O PRO A 27 74.187 -17.055 2.553 1.00 0.00 O ATOM 382 CB PRO A 27 75.774 -16.630 -0.187 1.00 0.00 C ATOM 383 CG PRO A 27 77.223 -16.971 -0.327 1.00 0.00 C ATOM 384 CD PRO A 27 78.004 -15.881 0.363 1.00 0.00 C ATOM 0 HA PRO A 27 74.892 -15.083 1.090 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.159 -17.529 -0.151 1.00 0.00 H new ATOM 0 HB3 PRO A 27 75.425 -16.039 -1.033 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.436 -17.941 0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 27 77.503 -17.039 -1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 27 78.864 -16.284 0.898 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.387 -15.152 -0.351 1.00 0.00 H new ATOM 392 N ASN A 28 76.332 -17.228 2.998 1.00 0.00 N ATOM 393 CA ASN A 28 76.067 -18.131 4.155 1.00 0.00 C ATOM 394 C ASN A 28 75.576 -17.319 5.354 1.00 0.00 C ATOM 395 O ASN A 28 74.967 -17.842 6.266 1.00 0.00 O ATOM 396 CB ASN A 28 77.414 -18.788 4.463 1.00 0.00 C ATOM 397 CG ASN A 28 77.437 -20.203 3.883 1.00 0.00 C ATOM 398 OD1 ASN A 28 77.941 -21.118 4.503 1.00 0.00 O ATOM 399 ND2 ASN A 28 76.910 -20.422 2.709 1.00 0.00 N ATOM 0 H ASN A 28 77.316 -17.021 2.825 1.00 0.00 H new ATOM 0 HA ASN A 28 75.297 -18.870 3.936 1.00 0.00 H new ATOM 0 HB2 ASN A 28 78.225 -18.196 4.038 1.00 0.00 H new ATOM 0 HB3 ASN A 28 77.576 -18.823 5.540 1.00 0.00 H new ATOM 0 HD21 ASN A 28 76.921 -21.362 2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 28 76.487 -19.654 2.189 1.00 0.00 H new ATOM 406 N LYS A 29 75.834 -16.043 5.354 1.00 0.00 N ATOM 407 CA LYS A 29 75.380 -15.187 6.486 1.00 0.00 C ATOM 408 C LYS A 29 74.085 -14.471 6.108 1.00 0.00 C ATOM 409 O LYS A 29 73.329 -14.932 5.275 1.00 0.00 O ATOM 410 CB LYS A 29 76.509 -14.177 6.698 1.00 0.00 C ATOM 411 CG LYS A 29 77.055 -14.314 8.119 1.00 0.00 C ATOM 412 CD LYS A 29 76.112 -13.614 9.099 1.00 0.00 C ATOM 413 CE LYS A 29 76.614 -13.821 10.530 1.00 0.00 C ATOM 414 NZ LYS A 29 75.808 -12.881 11.359 1.00 0.00 N ATOM 0 H LYS A 29 76.341 -15.553 4.617 1.00 0.00 H new ATOM 0 HA LYS A 29 75.177 -15.763 7.389 1.00 0.00 H new ATOM 0 HB2 LYS A 29 77.305 -14.348 5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 29 76.141 -13.164 6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 29 77.153 -15.367 8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 29 78.051 -13.876 8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 29 76.060 -12.549 8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.103 -14.012 8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.473 -14.853 10.853 1.00 0.00 H new ATOM 0 HE3 LYS A 29 77.679 -13.605 10.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 76.094 -12.964 12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 75.967 -11.906 11.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 74.799 -13.116 11.268 1.00 0.00 H new ATOM 428 N SER A 30 73.825 -13.348 6.710 1.00 0.00 N ATOM 429 CA SER A 30 72.579 -12.602 6.380 1.00 0.00 C ATOM 430 C SER A 30 72.916 -11.280 5.700 1.00 0.00 C ATOM 431 O SER A 30 73.840 -10.586 6.084 1.00 0.00 O ATOM 432 CB SER A 30 71.902 -12.331 7.716 1.00 0.00 C ATOM 433 OG SER A 30 72.241 -13.361 8.636 1.00 0.00 O ATOM 0 H SER A 30 74.419 -12.913 7.416 1.00 0.00 H new ATOM 0 HA SER A 30 71.942 -13.168 5.701 1.00 0.00 H new ATOM 0 HB2 SER A 30 72.216 -11.363 8.105 1.00 0.00 H new ATOM 0 HB3 SER A 30 70.821 -12.286 7.586 1.00 0.00 H new ATOM 0 HG SER A 30 71.807 -13.186 9.497 1.00 0.00 H new ATOM 439 N VAL A 31 72.168 -10.912 4.704 1.00 0.00 N ATOM 440 CA VAL A 31 72.454 -9.625 4.025 1.00 0.00 C ATOM 441 C VAL A 31 72.144 -8.477 4.984 1.00 0.00 C ATOM 442 O VAL A 31 72.764 -7.434 4.942 1.00 0.00 O ATOM 443 CB VAL A 31 71.548 -9.584 2.794 1.00 0.00 C ATOM 444 CG1 VAL A 31 72.107 -8.575 1.791 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.504 -10.968 2.138 1.00 0.00 C ATOM 0 H VAL A 31 71.378 -11.441 4.333 1.00 0.00 H new ATOM 0 HA VAL A 31 73.499 -9.530 3.728 1.00 0.00 H new ATOM 0 HB VAL A 31 70.542 -9.292 3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 31 71.464 -8.542 0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 31 72.144 -7.587 2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 31 73.112 -8.875 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 31 70.857 -10.935 1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.510 -11.260 1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 31 71.113 -11.696 2.849 1.00 0.00 H new ATOM 455 N ALA A 32 71.207 -8.673 5.872 1.00 0.00 N ATOM 456 CA ALA A 32 70.889 -7.601 6.854 1.00 0.00 C ATOM 457 C ALA A 32 72.110 -7.382 7.744 1.00 0.00 C ATOM 458 O ALA A 32 72.443 -6.270 8.109 1.00 0.00 O ATOM 459 CB ALA A 32 69.710 -8.137 7.668 1.00 0.00 C ATOM 0 H ALA A 32 70.652 -9.524 5.959 1.00 0.00 H new ATOM 0 HA ALA A 32 70.640 -6.648 6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.418 -7.399 8.415 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.868 -8.333 7.004 1.00 0.00 H new ATOM 0 HB3 ALA A 32 70.002 -9.062 8.166 1.00 0.00 H new ATOM 465 N GLU A 33 72.793 -8.444 8.074 1.00 0.00 N ATOM 466 CA GLU A 33 74.013 -8.319 8.917 1.00 0.00 C ATOM 467 C GLU A 33 75.119 -7.663 8.093 1.00 0.00 C ATOM 468 O GLU A 33 75.993 -7.000 8.618 1.00 0.00 O ATOM 469 CB GLU A 33 74.392 -9.755 9.286 1.00 0.00 C ATOM 470 CG GLU A 33 73.237 -10.411 10.045 1.00 0.00 C ATOM 471 CD GLU A 33 73.188 -9.863 11.472 1.00 0.00 C ATOM 472 OE1 GLU A 33 74.145 -9.222 11.873 1.00 0.00 O ATOM 473 OE2 GLU A 33 72.194 -10.096 12.141 1.00 0.00 O ATOM 0 H GLU A 33 72.557 -9.396 7.794 1.00 0.00 H new ATOM 0 HA GLU A 33 73.857 -7.709 9.807 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.619 -10.325 8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 33 75.292 -9.758 9.900 1.00 0.00 H new ATOM 0 HG2 GLU A 33 72.294 -10.213 9.535 1.00 0.00 H new ATOM 0 HG3 GLU A 33 73.368 -11.493 10.064 1.00 0.00 H new ATOM 480 N LEU A 34 75.077 -7.831 6.798 1.00 0.00 N ATOM 481 CA LEU A 34 76.107 -7.208 5.931 1.00 0.00 C ATOM 482 C LEU A 34 75.989 -5.691 6.027 1.00 0.00 C ATOM 483 O LEU A 34 76.969 -4.982 6.123 1.00 0.00 O ATOM 484 CB LEU A 34 75.772 -7.681 4.516 1.00 0.00 C ATOM 485 CG LEU A 34 76.647 -8.879 4.150 1.00 0.00 C ATOM 486 CD1 LEU A 34 78.119 -8.472 4.202 1.00 0.00 C ATOM 487 CD2 LEU A 34 76.395 -10.016 5.142 1.00 0.00 C ATOM 0 H LEU A 34 74.369 -8.376 6.306 1.00 0.00 H new ATOM 0 HA LEU A 34 77.123 -7.481 6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 34 74.719 -7.956 4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 34 75.932 -6.871 3.804 1.00 0.00 H new ATOM 0 HG LEU A 34 76.400 -9.215 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 34 78.742 -9.327 3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 34 78.298 -7.663 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 34 78.368 -8.135 5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 34 77.019 -10.871 4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 34 76.641 -9.681 6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 34 75.345 -10.307 5.103 1.00 0.00 H new ATOM 499 N LYS A 35 74.786 -5.194 6.010 1.00 0.00 N ATOM 500 CA LYS A 35 74.588 -3.723 6.108 1.00 0.00 C ATOM 501 C LYS A 35 75.066 -3.226 7.472 1.00 0.00 C ATOM 502 O LYS A 35 75.894 -2.342 7.565 1.00 0.00 O ATOM 503 CB LYS A 35 73.081 -3.511 5.952 1.00 0.00 C ATOM 504 CG LYS A 35 72.715 -3.511 4.467 1.00 0.00 C ATOM 505 CD LYS A 35 72.201 -4.894 4.065 1.00 0.00 C ATOM 506 CE LYS A 35 73.257 -5.602 3.213 1.00 0.00 C ATOM 507 NZ LYS A 35 73.323 -4.815 1.950 1.00 0.00 N ATOM 0 H LYS A 35 73.930 -5.743 5.932 1.00 0.00 H new ATOM 0 HA LYS A 35 75.151 -3.175 5.352 1.00 0.00 H new ATOM 0 HB2 LYS A 35 72.537 -4.300 6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 35 72.787 -2.566 6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 35 71.953 -2.757 4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 35 73.586 -3.247 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 35 71.980 -5.484 4.954 1.00 0.00 H new ATOM 0 HD3 LYS A 35 71.270 -4.800 3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 35 74.223 -5.621 3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 35 72.978 -6.638 3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 73.299 -5.462 1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 72.511 -4.167 1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 74.206 -4.266 1.929 1.00 0.00 H new ATOM 521 N VAL A 36 74.561 -3.795 8.530 1.00 0.00 N ATOM 522 CA VAL A 36 75.002 -3.360 9.886 1.00 0.00 C ATOM 523 C VAL A 36 76.490 -3.642 10.048 1.00 0.00 C ATOM 524 O VAL A 36 77.188 -2.945 10.752 1.00 0.00 O ATOM 525 CB VAL A 36 74.202 -4.208 10.864 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.297 -3.600 12.264 1.00 0.00 C ATOM 527 CG2 VAL A 36 72.736 -4.259 10.428 1.00 0.00 C ATOM 0 H VAL A 36 73.864 -4.540 8.516 1.00 0.00 H new ATOM 0 HA VAL A 36 74.842 -2.295 10.051 1.00 0.00 H new ATOM 0 HB VAL A 36 74.608 -5.219 10.877 1.00 0.00 H new ATOM 0 HG11 VAL A 36 73.724 -4.208 12.964 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.340 -3.571 12.578 1.00 0.00 H new ATOM 0 HG13 VAL A 36 73.895 -2.587 12.249 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.168 -4.867 11.132 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.327 -3.249 10.409 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.668 -4.697 9.432 1.00 0.00 H new ATOM 537 N ALA A 37 76.986 -4.656 9.396 1.00 0.00 N ATOM 538 CA ALA A 37 78.435 -4.961 9.514 1.00 0.00 C ATOM 539 C ALA A 37 79.227 -3.823 8.888 1.00 0.00 C ATOM 540 O ALA A 37 80.237 -3.396 9.405 1.00 0.00 O ATOM 541 CB ALA A 37 78.641 -6.263 8.740 1.00 0.00 C ATOM 0 H ALA A 37 76.454 -5.282 8.791 1.00 0.00 H new ATOM 0 HA ALA A 37 78.767 -5.066 10.547 1.00 0.00 H new ATOM 0 HB1 ALA A 37 79.692 -6.550 8.784 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.031 -7.050 9.183 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.348 -6.118 7.700 1.00 0.00 H new ATOM 547 N ILE A 38 78.757 -3.311 7.787 1.00 0.00 N ATOM 548 CA ILE A 38 79.468 -2.180 7.140 1.00 0.00 C ATOM 549 C ILE A 38 79.134 -0.888 7.884 1.00 0.00 C ATOM 550 O ILE A 38 79.889 0.065 7.865 1.00 0.00 O ATOM 551 CB ILE A 38 78.936 -2.133 5.704 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.342 -3.409 4.957 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.522 -0.916 4.984 1.00 0.00 C ATOM 554 CD1 ILE A 38 80.797 -3.758 5.274 1.00 0.00 C ATOM 0 H ILE A 38 77.913 -3.627 7.309 1.00 0.00 H new ATOM 0 HA ILE A 38 80.551 -2.299 7.155 1.00 0.00 H new ATOM 0 HB ILE A 38 77.849 -2.059 5.726 1.00 0.00 H new ATOM 0 HG12 ILE A 38 78.690 -4.233 5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.219 -3.267 3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.144 -0.881 3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.230 -0.007 5.510 1.00 0.00 H new ATOM 0 HG23 ILE A 38 80.609 -0.992 4.967 1.00 0.00 H new ATOM 0 HD11 ILE A 38 81.078 -4.666 4.740 1.00 0.00 H new ATOM 0 HD12 ILE A 38 81.444 -2.938 4.962 1.00 0.00 H new ATOM 0 HD13 ILE A 38 80.907 -3.919 6.346 1.00 0.00 H new ATOM 566 N SER A 39 78.013 -0.854 8.555 1.00 0.00 N ATOM 567 CA SER A 39 77.646 0.375 9.312 1.00 0.00 C ATOM 568 C SER A 39 78.408 0.398 10.635 1.00 0.00 C ATOM 569 O SER A 39 78.786 1.440 11.137 1.00 0.00 O ATOM 570 CB SER A 39 76.142 0.260 9.557 1.00 0.00 C ATOM 571 OG SER A 39 75.917 -0.332 10.829 1.00 0.00 O ATOM 0 H SER A 39 77.341 -1.619 8.611 1.00 0.00 H new ATOM 0 HA SER A 39 77.893 1.291 8.776 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.679 1.246 9.515 1.00 0.00 H new ATOM 0 HB3 SER A 39 75.680 -0.343 8.776 1.00 0.00 H new ATOM 0 HG SER A 39 76.328 -1.221 10.853 1.00 0.00 H new ATOM 577 N GLU A 40 78.652 -0.755 11.192 1.00 0.00 N ATOM 578 CA GLU A 40 79.398 -0.822 12.473 1.00 0.00 C ATOM 579 C GLU A 40 80.893 -0.692 12.201 1.00 0.00 C ATOM 580 O GLU A 40 81.619 -0.056 12.940 1.00 0.00 O ATOM 581 CB GLU A 40 79.068 -2.196 13.035 1.00 0.00 C ATOM 582 CG GLU A 40 78.817 -2.091 14.540 1.00 0.00 C ATOM 583 CD GLU A 40 80.138 -2.253 15.292 1.00 0.00 C ATOM 584 OE1 GLU A 40 81.156 -2.411 14.637 1.00 0.00 O ATOM 585 OE2 GLU A 40 80.112 -2.216 16.512 1.00 0.00 O ATOM 0 H GLU A 40 78.364 -1.656 10.811 1.00 0.00 H new ATOM 0 HA GLU A 40 79.129 -0.025 13.166 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.187 -2.601 12.537 1.00 0.00 H new ATOM 0 HB3 GLU A 40 79.889 -2.886 12.841 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.367 -1.127 14.778 1.00 0.00 H new ATOM 0 HG3 GLU A 40 78.111 -2.859 14.856 1.00 0.00 H new ATOM 592 N LEU A 41 81.353 -1.277 11.134 1.00 0.00 N ATOM 593 CA LEU A 41 82.797 -1.176 10.797 1.00 0.00 C ATOM 594 C LEU A 41 83.115 0.256 10.381 1.00 0.00 C ATOM 595 O LEU A 41 84.202 0.749 10.596 1.00 0.00 O ATOM 596 CB LEU A 41 83.010 -2.136 9.627 1.00 0.00 C ATOM 597 CG LEU A 41 84.365 -2.830 9.777 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.167 -4.347 9.762 1.00 0.00 C ATOM 599 CD2 LEU A 41 85.275 -2.425 8.615 1.00 0.00 C ATOM 0 H LEU A 41 80.791 -1.821 10.480 1.00 0.00 H new ATOM 0 HA LEU A 41 83.443 -1.428 11.638 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.211 -2.877 9.600 1.00 0.00 H new ATOM 0 HB3 LEU A 41 82.971 -1.591 8.684 1.00 0.00 H new ATOM 0 HG LEU A 41 84.823 -2.533 10.721 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.133 -4.841 9.869 1.00 0.00 H new ATOM 0 HD12 LEU A 41 83.517 -4.637 10.588 1.00 0.00 H new ATOM 0 HD13 LEU A 41 83.710 -4.645 8.819 1.00 0.00 H new ATOM 0 HD21 LEU A 41 86.241 -2.919 8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.816 -2.723 7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 41 85.417 -1.344 8.624 1.00 0.00 H new ATOM 611 N PHE A 42 82.164 0.931 9.796 1.00 0.00 N ATOM 612 CA PHE A 42 82.399 2.334 9.375 1.00 0.00 C ATOM 613 C PHE A 42 82.040 3.274 10.525 1.00 0.00 C ATOM 614 O PHE A 42 82.407 4.428 10.537 1.00 0.00 O ATOM 615 CB PHE A 42 81.451 2.543 8.201 1.00 0.00 C ATOM 616 CG PHE A 42 82.097 2.056 6.927 1.00 0.00 C ATOM 617 CD1 PHE A 42 82.630 0.763 6.861 1.00 0.00 C ATOM 618 CD2 PHE A 42 82.159 2.895 5.808 1.00 0.00 C ATOM 619 CE1 PHE A 42 83.225 0.310 5.678 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.755 2.443 4.625 1.00 0.00 C ATOM 621 CZ PHE A 42 83.287 1.151 4.560 1.00 0.00 C ATOM 0 H PHE A 42 81.233 0.567 9.592 1.00 0.00 H new ATOM 0 HA PHE A 42 83.436 2.531 9.104 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.519 2.006 8.375 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.198 3.599 8.110 1.00 0.00 H new ATOM 0 HD1 PHE A 42 82.582 0.115 7.724 1.00 0.00 H new ATOM 0 HD2 PHE A 42 81.747 3.892 5.858 1.00 0.00 H new ATOM 0 HE1 PHE A 42 83.636 -0.687 5.627 1.00 0.00 H new ATOM 0 HE2 PHE A 42 82.804 3.091 3.763 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.746 0.802 3.647 1.00 0.00 H new ATOM 631 N ALA A 43 81.322 2.786 11.495 1.00 0.00 N ATOM 632 CA ALA A 43 80.944 3.653 12.644 1.00 0.00 C ATOM 633 C ALA A 43 82.003 3.545 13.740 1.00 0.00 C ATOM 634 O ALA A 43 82.212 4.458 14.513 1.00 0.00 O ATOM 635 CB ALA A 43 79.612 3.101 13.131 1.00 0.00 C ATOM 0 H ALA A 43 80.981 1.826 11.543 1.00 0.00 H new ATOM 0 HA ALA A 43 80.870 4.705 12.369 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.264 3.688 13.981 1.00 0.00 H new ATOM 0 HB2 ALA A 43 78.879 3.157 12.326 1.00 0.00 H new ATOM 0 HB3 ALA A 43 79.738 2.062 13.435 1.00 0.00 H new ATOM 641 N LYS A 44 82.679 2.432 13.802 1.00 0.00 N ATOM 642 CA LYS A 44 83.735 2.257 14.836 1.00 0.00 C ATOM 643 C LYS A 44 85.079 2.694 14.263 1.00 0.00 C ATOM 644 O LYS A 44 86.005 3.015 14.981 1.00 0.00 O ATOM 645 CB LYS A 44 83.741 0.761 15.151 1.00 0.00 C ATOM 646 CG LYS A 44 83.273 0.537 16.590 1.00 0.00 C ATOM 647 CD LYS A 44 81.772 0.241 16.600 1.00 0.00 C ATOM 648 CE LYS A 44 81.072 1.181 17.584 1.00 0.00 C ATOM 649 NZ LYS A 44 80.240 0.290 18.441 1.00 0.00 N ATOM 0 H LYS A 44 82.545 1.635 13.180 1.00 0.00 H new ATOM 0 HA LYS A 44 83.553 2.852 15.731 1.00 0.00 H new ATOM 0 HB2 LYS A 44 83.087 0.231 14.459 1.00 0.00 H new ATOM 0 HB3 LYS A 44 84.744 0.355 15.017 1.00 0.00 H new ATOM 0 HG2 LYS A 44 83.821 -0.293 17.036 1.00 0.00 H new ATOM 0 HG3 LYS A 44 83.484 1.420 17.194 1.00 0.00 H new ATOM 0 HD2 LYS A 44 81.358 0.371 15.600 1.00 0.00 H new ATOM 0 HD3 LYS A 44 81.597 -0.796 16.885 1.00 0.00 H new ATOM 0 HE2 LYS A 44 81.795 1.739 18.179 1.00 0.00 H new ATOM 0 HE3 LYS A 44 80.457 1.913 17.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 79.388 0.801 18.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 79.962 -0.552 17.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 80.789 -0.001 19.275 1.00 0.00 H new ATOM 663 N ASN A 45 85.183 2.716 12.965 1.00 0.00 N ATOM 664 CA ASN A 45 86.451 3.138 12.322 1.00 0.00 C ATOM 665 C ASN A 45 86.522 4.663 12.284 1.00 0.00 C ATOM 666 O ASN A 45 87.421 5.256 12.842 1.00 0.00 O ATOM 667 CB ASN A 45 86.362 2.577 10.905 1.00 0.00 C ATOM 668 CG ASN A 45 87.014 1.196 10.861 1.00 0.00 C ATOM 669 OD1 ASN A 45 88.080 1.031 10.301 1.00 0.00 O ATOM 670 ND2 ASN A 45 86.414 0.189 11.431 1.00 0.00 N ATOM 0 H ASN A 45 84.437 2.457 12.319 1.00 0.00 H new ATOM 0 HA ASN A 45 87.335 2.784 12.852 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.319 2.509 10.595 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.860 3.248 10.205 1.00 0.00 H new ATOM 0 HD21 ASN A 45 86.839 -0.738 11.407 1.00 0.00 H new ATOM 0 HD22 ASN A 45 85.519 0.328 11.901 1.00 0.00 H new ATOM 677 N ASP A 46 85.551 5.273 11.638 1.00 0.00 N ATOM 678 CA ASP A 46 85.459 6.767 11.511 1.00 0.00 C ATOM 679 C ASP A 46 84.887 7.132 10.141 1.00 0.00 C ATOM 680 O ASP A 46 85.228 8.147 9.566 1.00 0.00 O ATOM 681 CB ASP A 46 86.874 7.344 11.634 1.00 0.00 C ATOM 682 CG ASP A 46 87.133 7.772 13.081 1.00 0.00 C ATOM 683 OD1 ASP A 46 86.286 8.452 13.638 1.00 0.00 O ATOM 684 OD2 ASP A 46 88.173 7.411 13.607 1.00 0.00 O ATOM 0 H ASP A 46 84.790 4.775 11.176 1.00 0.00 H new ATOM 0 HA ASP A 46 84.810 7.170 12.289 1.00 0.00 H new ATOM 0 HB2 ASP A 46 87.609 6.599 11.328 1.00 0.00 H new ATOM 0 HB3 ASP A 46 86.988 8.198 10.966 1.00 0.00 H new ATOM 689 N LEU A 47 84.026 6.313 9.610 1.00 0.00 N ATOM 690 CA LEU A 47 83.437 6.607 8.280 1.00 0.00 C ATOM 691 C LEU A 47 82.049 7.222 8.452 1.00 0.00 C ATOM 692 O LEU A 47 81.726 7.776 9.485 1.00 0.00 O ATOM 693 CB LEU A 47 83.349 5.243 7.591 1.00 0.00 C ATOM 694 CG LEU A 47 84.514 5.086 6.614 1.00 0.00 C ATOM 695 CD1 LEU A 47 84.385 6.120 5.494 1.00 0.00 C ATOM 696 CD2 LEU A 47 85.833 5.305 7.358 1.00 0.00 C ATOM 0 H LEU A 47 83.704 5.448 10.044 1.00 0.00 H new ATOM 0 HA LEU A 47 84.026 7.318 7.701 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.375 4.446 8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.401 5.153 7.060 1.00 0.00 H new ATOM 0 HG LEU A 47 84.497 4.084 6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 47 85.216 6.008 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 47 83.445 5.967 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 47 84.402 7.123 5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 47 86.665 5.194 6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 47 85.848 6.308 7.784 1.00 0.00 H new ATOM 0 HD23 LEU A 47 85.926 4.570 8.157 1.00 0.00 H new ATOM 708 N ALA A 48 81.226 7.126 7.452 1.00 0.00 N ATOM 709 CA ALA A 48 79.855 7.699 7.553 1.00 0.00 C ATOM 710 C ALA A 48 78.926 7.020 6.549 1.00 0.00 C ATOM 711 O ALA A 48 78.382 7.647 5.662 1.00 0.00 O ATOM 712 CB ALA A 48 80.018 9.183 7.222 1.00 0.00 C ATOM 0 H ALA A 48 81.442 6.674 6.564 1.00 0.00 H new ATOM 0 HA ALA A 48 79.416 7.551 8.540 1.00 0.00 H new ATOM 0 HB1 ALA A 48 79.048 9.676 7.275 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.699 9.643 7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.424 9.289 6.216 1.00 0.00 H new ATOM 718 N VAL A 49 78.737 5.739 6.689 1.00 0.00 N ATOM 719 CA VAL A 49 77.849 5.008 5.765 1.00 0.00 C ATOM 720 C VAL A 49 76.451 5.612 5.805 1.00 0.00 C ATOM 721 O VAL A 49 75.774 5.594 6.814 1.00 0.00 O ATOM 722 CB VAL A 49 77.839 3.578 6.290 1.00 0.00 C ATOM 723 CG1 VAL A 49 79.188 2.916 6.000 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.591 3.591 7.800 1.00 0.00 C ATOM 0 H VAL A 49 79.168 5.167 7.415 1.00 0.00 H new ATOM 0 HA VAL A 49 78.184 5.057 4.729 1.00 0.00 H new ATOM 0 HB VAL A 49 77.046 3.016 5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.180 1.893 6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.365 2.906 4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 49 79.982 3.477 6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.584 2.568 8.176 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.383 4.154 8.294 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.629 4.061 8.007 1.00 0.00 H new ATOM 734 N VAL A 50 76.028 6.150 4.709 1.00 0.00 N ATOM 735 CA VAL A 50 74.674 6.776 4.645 1.00 0.00 C ATOM 736 C VAL A 50 73.637 5.726 4.247 1.00 0.00 C ATOM 737 O VAL A 50 72.577 5.633 4.835 1.00 0.00 O ATOM 738 CB VAL A 50 74.769 7.870 3.570 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.807 9.009 3.907 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.190 8.430 3.510 1.00 0.00 C ATOM 0 H VAL A 50 76.561 6.188 3.840 1.00 0.00 H new ATOM 0 HA VAL A 50 74.370 7.189 5.607 1.00 0.00 H new ATOM 0 HB VAL A 50 74.508 7.433 2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.877 9.783 3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.787 8.626 3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 50 74.070 9.432 4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.244 9.204 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.454 8.857 4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 50 76.887 7.628 3.265 1.00 0.00 H new ATOM 750 N ASP A 51 73.933 4.932 3.254 1.00 0.00 N ATOM 751 CA ASP A 51 72.955 3.889 2.827 1.00 0.00 C ATOM 752 C ASP A 51 73.682 2.609 2.401 1.00 0.00 C ATOM 753 O ASP A 51 74.849 2.625 2.071 1.00 0.00 O ATOM 754 CB ASP A 51 72.217 4.504 1.636 1.00 0.00 C ATOM 755 CG ASP A 51 70.823 3.885 1.523 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.295 3.470 2.542 1.00 0.00 O ATOM 757 OD2 ASP A 51 70.307 3.835 0.418 1.00 0.00 O ATOM 0 H ASP A 51 74.803 4.959 2.723 1.00 0.00 H new ATOM 0 HA ASP A 51 72.277 3.611 3.634 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.138 5.584 1.762 1.00 0.00 H new ATOM 0 HB3 ASP A 51 72.779 4.331 0.718 1.00 0.00 H new ATOM 762 N VAL A 52 72.993 1.500 2.403 1.00 0.00 N ATOM 763 CA VAL A 52 73.634 0.219 1.992 1.00 0.00 C ATOM 764 C VAL A 52 72.564 -0.793 1.572 1.00 0.00 C ATOM 765 O VAL A 52 71.922 -1.411 2.397 1.00 0.00 O ATOM 766 CB VAL A 52 74.386 -0.280 3.225 1.00 0.00 C ATOM 767 CG1 VAL A 52 73.424 -0.383 4.410 1.00 0.00 C ATOM 768 CG2 VAL A 52 74.981 -1.657 2.925 1.00 0.00 C ATOM 0 H VAL A 52 72.012 1.426 2.672 1.00 0.00 H new ATOM 0 HA VAL A 52 74.303 0.353 1.142 1.00 0.00 H new ATOM 0 HB VAL A 52 75.184 0.419 3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.964 -0.739 5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 52 72.998 0.598 4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 52 72.623 -1.082 4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.519 -2.019 3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 52 74.180 -2.353 2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 52 75.668 -1.581 2.083 1.00 0.00 H new ATOM 778 N ARG A 53 72.366 -0.963 0.295 1.00 0.00 N ATOM 779 CA ARG A 53 71.336 -1.933 -0.177 1.00 0.00 C ATOM 780 C ARG A 53 71.987 -3.275 -0.515 1.00 0.00 C ATOM 781 O ARG A 53 73.191 -3.376 -0.648 1.00 0.00 O ATOM 782 CB ARG A 53 70.737 -1.297 -1.432 1.00 0.00 C ATOM 783 CG ARG A 53 70.420 0.174 -1.157 1.00 0.00 C ATOM 784 CD ARG A 53 69.219 0.604 -2.004 1.00 0.00 C ATOM 785 NE ARG A 53 68.046 -0.060 -1.372 1.00 0.00 N ATOM 786 CZ ARG A 53 66.870 0.021 -1.933 1.00 0.00 C ATOM 787 NH1 ARG A 53 66.214 1.149 -1.910 1.00 0.00 N ATOM 788 NH2 ARG A 53 66.352 -1.025 -2.516 1.00 0.00 N ATOM 0 H ARG A 53 72.872 -0.473 -0.443 1.00 0.00 H new ATOM 0 HA ARG A 53 70.578 -2.130 0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 53 71.436 -1.380 -2.264 1.00 0.00 H new ATOM 0 HB3 ARG A 53 69.830 -1.827 -1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 53 70.203 0.319 -0.099 1.00 0.00 H new ATOM 0 HG3 ARG A 53 71.285 0.794 -1.392 1.00 0.00 H new ATOM 0 HD2 ARG A 53 69.105 1.688 -2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 53 69.337 0.294 -3.042 1.00 0.00 H new ATOM 0 HE ARG A 53 68.161 -0.578 -0.501 1.00 0.00 H new ATOM 0 HH11 ARG A 53 66.620 1.966 -1.454 1.00 0.00 H new ATOM 0 HH12 ARG A 53 65.295 1.214 -2.348 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.866 -1.906 -2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 53 65.433 -0.962 -2.954 1.00 0.00 H new ATOM 802 N THR A 54 71.204 -4.310 -0.647 1.00 0.00 N ATOM 803 CA THR A 54 71.777 -5.643 -0.967 1.00 0.00 C ATOM 804 C THR A 54 71.909 -5.810 -2.484 1.00 0.00 C ATOM 805 O THR A 54 71.258 -5.130 -3.253 1.00 0.00 O ATOM 806 CB THR A 54 70.776 -6.657 -0.403 1.00 0.00 C ATOM 807 OG1 THR A 54 69.792 -6.945 -1.386 1.00 0.00 O ATOM 808 CG2 THR A 54 70.095 -6.102 0.855 1.00 0.00 C ATOM 0 H THR A 54 70.189 -4.288 -0.546 1.00 0.00 H new ATOM 0 HA THR A 54 72.772 -5.775 -0.542 1.00 0.00 H new ATOM 0 HB THR A 54 71.312 -7.568 -0.136 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.152 -7.595 -1.028 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.388 -6.837 1.240 1.00 0.00 H new ATOM 0 HG22 THR A 54 70.849 -5.891 1.614 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.564 -5.183 0.606 1.00 0.00 H new ATOM 816 N GLY A 55 72.751 -6.707 -2.919 1.00 0.00 N ATOM 817 CA GLY A 55 72.932 -6.917 -4.383 1.00 0.00 C ATOM 818 C GLY A 55 72.600 -8.366 -4.744 1.00 0.00 C ATOM 819 O GLY A 55 73.211 -9.295 -4.253 1.00 0.00 O ATOM 0 H GLY A 55 73.323 -7.305 -2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.287 -6.237 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 55 73.959 -6.688 -4.668 1.00 0.00 H new ATOM 823 N THR A 56 71.637 -8.566 -5.603 1.00 0.00 N ATOM 824 CA THR A 56 71.265 -9.954 -6.004 1.00 0.00 C ATOM 825 C THR A 56 71.048 -10.831 -4.767 1.00 0.00 C ATOM 826 O THR A 56 71.986 -11.280 -4.141 1.00 0.00 O ATOM 827 CB THR A 56 72.453 -10.463 -6.820 1.00 0.00 C ATOM 828 OG1 THR A 56 72.838 -9.472 -7.762 1.00 0.00 O ATOM 829 CG2 THR A 56 72.058 -11.745 -7.556 1.00 0.00 C ATOM 0 H THR A 56 71.091 -7.827 -6.045 1.00 0.00 H new ATOM 0 HA THR A 56 70.336 -9.980 -6.574 1.00 0.00 H new ATOM 0 HB THR A 56 73.289 -10.674 -6.153 1.00 0.00 H new ATOM 0 HG1 THR A 56 73.809 -9.505 -7.893 1.00 0.00 H new ATOM 0 HG21 THR A 56 72.906 -12.107 -8.137 1.00 0.00 H new ATOM 0 HG22 THR A 56 71.764 -12.505 -6.832 1.00 0.00 H new ATOM 0 HG23 THR A 56 71.222 -11.538 -8.224 1.00 0.00 H new ATOM 837 N ASN A 57 69.815 -11.081 -4.419 1.00 0.00 N ATOM 838 CA ASN A 57 69.528 -11.934 -3.229 1.00 0.00 C ATOM 839 C ASN A 57 70.482 -11.595 -2.077 1.00 0.00 C ATOM 840 O ASN A 57 70.220 -10.716 -1.282 1.00 0.00 O ATOM 841 CB ASN A 57 69.750 -13.368 -3.710 1.00 0.00 C ATOM 842 CG ASN A 57 68.652 -13.749 -4.705 1.00 0.00 C ATOM 843 OD1 ASN A 57 67.670 -13.046 -4.842 1.00 0.00 O ATOM 844 ND2 ASN A 57 68.778 -14.838 -5.411 1.00 0.00 N ATOM 0 H ASN A 57 68.992 -10.731 -4.908 1.00 0.00 H new ATOM 0 HA ASN A 57 68.518 -11.781 -2.849 1.00 0.00 H new ATOM 0 HB2 ASN A 57 70.729 -13.457 -4.181 1.00 0.00 H new ATOM 0 HB3 ASN A 57 69.740 -14.053 -2.862 1.00 0.00 H new ATOM 0 HD21 ASN A 57 68.052 -15.100 -6.078 1.00 0.00 H new ATOM 0 HD22 ASN A 57 69.602 -15.428 -5.296 1.00 0.00 H new ATOM 851 N ARG A 58 71.584 -12.291 -1.977 1.00 0.00 N ATOM 852 CA ARG A 58 72.544 -12.008 -0.872 1.00 0.00 C ATOM 853 C ARG A 58 73.976 -12.305 -1.319 1.00 0.00 C ATOM 854 O ARG A 58 74.701 -13.028 -0.665 1.00 0.00 O ATOM 855 CB ARG A 58 72.133 -12.951 0.257 1.00 0.00 C ATOM 856 CG ARG A 58 72.150 -14.394 -0.252 1.00 0.00 C ATOM 857 CD ARG A 58 70.728 -14.960 -0.228 1.00 0.00 C ATOM 858 NE ARG A 58 70.895 -16.425 -0.442 1.00 0.00 N ATOM 859 CZ ARG A 58 71.597 -17.131 0.402 1.00 0.00 C ATOM 860 NH1 ARG A 58 71.806 -16.687 1.610 1.00 0.00 N ATOM 861 NH2 ARG A 58 72.090 -18.283 0.036 1.00 0.00 N ATOM 0 H ARG A 58 71.859 -13.041 -2.611 1.00 0.00 H new ATOM 0 HA ARG A 58 72.520 -10.962 -0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 58 72.814 -12.844 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 58 71.137 -12.693 0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 58 72.550 -14.429 -1.265 1.00 0.00 H new ATOM 0 HG3 ARG A 58 72.806 -15.003 0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 58 70.236 -14.753 0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 58 70.112 -14.514 -1.009 1.00 0.00 H new ATOM 0 HE ARG A 58 70.461 -16.876 -1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 58 71.421 -15.787 1.896 1.00 0.00 H new ATOM 0 HH12 ARG A 58 72.355 -17.240 2.269 1.00 0.00 H new ATOM 0 HH21 ARG A 58 71.927 -18.631 -0.909 1.00 0.00 H new ATOM 0 HH22 ARG A 58 72.639 -18.835 0.695 1.00 0.00 H new ATOM 875 N LYS A 59 74.391 -11.754 -2.425 1.00 0.00 N ATOM 876 CA LYS A 59 75.779 -12.012 -2.901 1.00 0.00 C ATOM 877 C LYS A 59 76.532 -10.691 -3.088 1.00 0.00 C ATOM 878 O LYS A 59 77.744 -10.644 -3.035 1.00 0.00 O ATOM 879 CB LYS A 59 75.613 -12.732 -4.240 1.00 0.00 C ATOM 880 CG LYS A 59 76.443 -14.017 -4.236 1.00 0.00 C ATOM 881 CD LYS A 59 77.931 -13.662 -4.229 1.00 0.00 C ATOM 882 CE LYS A 59 78.763 -14.947 -4.246 1.00 0.00 C ATOM 883 NZ LYS A 59 80.107 -14.527 -4.732 1.00 0.00 N ATOM 0 H LYS A 59 73.833 -11.139 -3.018 1.00 0.00 H new ATOM 0 HA LYS A 59 76.355 -12.604 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.562 -12.966 -4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 59 75.932 -12.083 -5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 59 76.197 -14.619 -3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.206 -14.619 -5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 59 78.173 -13.048 -5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 59 78.171 -13.073 -3.344 1.00 0.00 H new ATOM 0 HE2 LYS A 59 78.823 -15.392 -3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 59 78.321 -15.695 -4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 80.736 -15.354 -4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 80.019 -14.113 -5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 80.506 -13.820 -4.082 1.00 0.00 H new ATOM 897 N PHE A 60 75.820 -9.620 -3.301 1.00 0.00 N ATOM 898 CA PHE A 60 76.494 -8.298 -3.486 1.00 0.00 C ATOM 899 C PHE A 60 75.718 -7.223 -2.727 1.00 0.00 C ATOM 900 O PHE A 60 74.980 -7.513 -1.808 1.00 0.00 O ATOM 901 CB PHE A 60 76.466 -8.005 -4.993 1.00 0.00 C ATOM 902 CG PHE A 60 76.497 -9.290 -5.789 1.00 0.00 C ATOM 903 CD1 PHE A 60 77.648 -10.086 -5.793 1.00 0.00 C ATOM 904 CD2 PHE A 60 75.370 -9.684 -6.520 1.00 0.00 C ATOM 905 CE1 PHE A 60 77.672 -11.275 -6.532 1.00 0.00 C ATOM 906 CE2 PHE A 60 75.393 -10.872 -7.257 1.00 0.00 C ATOM 907 CZ PHE A 60 76.545 -11.668 -7.263 1.00 0.00 C ATOM 0 H PHE A 60 74.802 -9.599 -3.355 1.00 0.00 H new ATOM 0 HA PHE A 60 77.516 -8.309 -3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.568 -7.439 -5.242 1.00 0.00 H new ATOM 0 HB3 PHE A 60 77.320 -7.383 -5.263 1.00 0.00 H new ATOM 0 HD1 PHE A 60 78.517 -9.784 -5.227 1.00 0.00 H new ATOM 0 HD2 PHE A 60 74.482 -9.070 -6.515 1.00 0.00 H new ATOM 0 HE1 PHE A 60 78.560 -11.889 -6.538 1.00 0.00 H new ATOM 0 HE2 PHE A 60 74.523 -11.175 -7.821 1.00 0.00 H new ATOM 0 HZ PHE A 60 76.564 -12.586 -7.832 1.00 0.00 H new ATOM 917 N GLY A 61 75.872 -5.984 -3.103 1.00 0.00 N ATOM 918 CA GLY A 61 75.127 -4.907 -2.394 1.00 0.00 C ATOM 919 C GLY A 61 75.660 -3.535 -2.806 1.00 0.00 C ATOM 920 O GLY A 61 76.716 -3.413 -3.390 1.00 0.00 O ATOM 0 H GLY A 61 76.476 -5.672 -3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.064 -4.977 -2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.227 -5.035 -1.316 1.00 0.00 H new ATOM 924 N TYR A 62 74.929 -2.501 -2.494 1.00 0.00 N ATOM 925 CA TYR A 62 75.377 -1.122 -2.848 1.00 0.00 C ATOM 926 C TYR A 62 75.457 -0.278 -1.586 1.00 0.00 C ATOM 927 O TYR A 62 74.858 -0.596 -0.579 1.00 0.00 O ATOM 928 CB TYR A 62 74.309 -0.586 -3.801 1.00 0.00 C ATOM 929 CG TYR A 62 74.904 0.493 -4.674 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.898 1.824 -4.241 1.00 0.00 C ATOM 931 CD2 TYR A 62 75.457 0.164 -5.917 1.00 0.00 C ATOM 932 CE1 TYR A 62 75.447 2.825 -5.051 1.00 0.00 C ATOM 933 CE2 TYR A 62 76.005 1.166 -6.727 1.00 0.00 C ATOM 934 CZ TYR A 62 76.000 2.497 -6.294 1.00 0.00 C ATOM 935 OH TYR A 62 76.539 3.485 -7.092 1.00 0.00 O ATOM 0 H TYR A 62 74.035 -2.551 -2.006 1.00 0.00 H new ATOM 0 HA TYR A 62 76.364 -1.103 -3.311 1.00 0.00 H new ATOM 0 HB2 TYR A 62 73.920 -1.395 -4.420 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.468 -0.186 -3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 62 74.470 2.079 -3.283 1.00 0.00 H new ATOM 0 HD2 TYR A 62 75.461 -0.863 -6.251 1.00 0.00 H new ATOM 0 HE1 TYR A 62 75.444 3.852 -4.716 1.00 0.00 H new ATOM 0 HE2 TYR A 62 76.432 0.912 -7.686 1.00 0.00 H new ATOM 0 HH TYR A 62 76.881 3.087 -7.920 1.00 0.00 H new ATOM 945 N VAL A 63 76.212 0.780 -1.617 1.00 0.00 N ATOM 946 CA VAL A 63 76.343 1.613 -0.396 1.00 0.00 C ATOM 947 C VAL A 63 76.588 3.082 -0.754 1.00 0.00 C ATOM 948 O VAL A 63 77.263 3.397 -1.714 1.00 0.00 O ATOM 949 CB VAL A 63 77.556 1.031 0.329 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.562 1.519 1.769 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.486 -0.499 0.322 1.00 0.00 C ATOM 0 H VAL A 63 76.740 1.102 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 63 75.439 1.595 0.212 1.00 0.00 H new ATOM 0 HB VAL A 63 78.464 1.354 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.426 1.106 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.616 2.608 1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.649 1.194 2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.354 -0.905 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.577 -0.824 0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 63 77.477 -0.858 -0.707 1.00 0.00 H new ATOM 961 N ASP A 64 76.047 3.981 0.023 1.00 0.00 N ATOM 962 CA ASP A 64 76.244 5.430 -0.249 1.00 0.00 C ATOM 963 C ASP A 64 77.056 6.064 0.883 1.00 0.00 C ATOM 964 O ASP A 64 76.848 5.770 2.046 1.00 0.00 O ATOM 965 CB ASP A 64 74.837 6.016 -0.282 1.00 0.00 C ATOM 966 CG ASP A 64 73.931 5.127 -1.137 1.00 0.00 C ATOM 967 OD1 ASP A 64 74.453 4.247 -1.800 1.00 0.00 O ATOM 968 OD2 ASP A 64 72.731 5.342 -1.112 1.00 0.00 O ATOM 0 H ASP A 64 75.473 3.770 0.840 1.00 0.00 H new ATOM 0 HA ASP A 64 76.785 5.611 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.440 6.091 0.730 1.00 0.00 H new ATOM 0 HB3 ASP A 64 74.862 7.026 -0.690 1.00 0.00 H new ATOM 973 N PHE A 65 77.972 6.933 0.554 1.00 0.00 N ATOM 974 CA PHE A 65 78.797 7.587 1.609 1.00 0.00 C ATOM 975 C PHE A 65 78.327 9.022 1.835 1.00 0.00 C ATOM 976 O PHE A 65 77.455 9.515 1.150 1.00 0.00 O ATOM 977 CB PHE A 65 80.226 7.549 1.075 1.00 0.00 C ATOM 978 CG PHE A 65 80.751 6.142 1.221 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.621 5.478 2.446 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.355 5.499 0.135 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.094 4.171 2.587 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.831 4.190 0.277 1.00 0.00 C ATOM 983 CZ PHE A 65 81.700 3.526 1.503 1.00 0.00 C ATOM 0 H PHE A 65 78.185 7.219 -0.402 1.00 0.00 H new ATOM 0 HA PHE A 65 78.718 7.083 2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.248 7.856 0.029 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.856 8.248 1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.155 5.976 3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.454 6.011 -0.811 1.00 0.00 H new ATOM 0 HE1 PHE A 65 80.992 3.659 3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.299 3.692 -0.559 1.00 0.00 H new ATOM 0 HZ PHE A 65 82.067 2.516 1.612 1.00 0.00 H new ATOM 993 N GLU A 66 78.872 9.683 2.815 1.00 0.00 N ATOM 994 CA GLU A 66 78.424 11.075 3.107 1.00 0.00 C ATOM 995 C GLU A 66 79.551 12.085 2.892 1.00 0.00 C ATOM 996 O GLU A 66 79.455 13.225 3.302 1.00 0.00 O ATOM 997 CB GLU A 66 78.007 11.050 4.578 1.00 0.00 C ATOM 998 CG GLU A 66 76.482 11.101 4.680 1.00 0.00 C ATOM 999 CD GLU A 66 76.058 12.404 5.361 1.00 0.00 C ATOM 1000 OE1 GLU A 66 76.363 12.563 6.532 1.00 0.00 O ATOM 1001 OE2 GLU A 66 75.437 13.221 4.701 1.00 0.00 O ATOM 0 H GLU A 66 79.606 9.323 3.426 1.00 0.00 H new ATOM 0 HA GLU A 66 77.614 11.381 2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.384 10.147 5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.445 11.897 5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.038 11.037 3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 66 76.116 10.246 5.248 1.00 0.00 H new ATOM 1008 N SER A 67 80.613 11.691 2.254 1.00 0.00 N ATOM 1009 CA SER A 67 81.726 12.666 2.028 1.00 0.00 C ATOM 1010 C SER A 67 82.797 12.111 1.103 1.00 0.00 C ATOM 1011 O SER A 67 82.804 10.952 0.738 1.00 0.00 O ATOM 1012 CB SER A 67 82.335 12.920 3.402 1.00 0.00 C ATOM 1013 OG SER A 67 82.494 11.685 4.087 1.00 0.00 O ATOM 0 H SER A 67 80.764 10.753 1.882 1.00 0.00 H new ATOM 0 HA SER A 67 81.342 13.570 1.556 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.300 13.417 3.298 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.694 13.587 3.978 1.00 0.00 H new ATOM 0 HG SER A 67 82.887 11.849 4.970 1.00 0.00 H new ATOM 1019 N ALA A 68 83.730 12.950 0.765 1.00 0.00 N ATOM 1020 CA ALA A 68 84.859 12.527 -0.095 1.00 0.00 C ATOM 1021 C ALA A 68 85.849 11.792 0.786 1.00 0.00 C ATOM 1022 O ALA A 68 86.627 10.970 0.343 1.00 0.00 O ATOM 1023 CB ALA A 68 85.471 13.831 -0.590 1.00 0.00 C ATOM 0 H ALA A 68 83.757 13.928 1.054 1.00 0.00 H new ATOM 0 HA ALA A 68 84.570 11.878 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.319 13.612 -1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.724 14.395 -1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.808 14.421 0.262 1.00 0.00 H new ATOM 1029 N GLU A 69 85.803 12.097 2.047 1.00 0.00 N ATOM 1030 CA GLU A 69 86.709 11.448 3.015 1.00 0.00 C ATOM 1031 C GLU A 69 86.116 10.101 3.425 1.00 0.00 C ATOM 1032 O GLU A 69 86.821 9.181 3.795 1.00 0.00 O ATOM 1033 CB GLU A 69 86.747 12.423 4.186 1.00 0.00 C ATOM 1034 CG GLU A 69 88.188 12.594 4.659 1.00 0.00 C ATOM 1035 CD GLU A 69 88.328 12.053 6.083 1.00 0.00 C ATOM 1036 OE1 GLU A 69 87.993 10.899 6.293 1.00 0.00 O ATOM 1037 OE2 GLU A 69 88.768 12.802 6.940 1.00 0.00 O ATOM 0 H GLU A 69 85.163 12.781 2.451 1.00 0.00 H new ATOM 0 HA GLU A 69 87.707 11.246 2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.335 13.386 3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.127 12.052 5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.866 12.065 3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.468 13.647 4.630 1.00 0.00 H new ATOM 1044 N ASP A 70 84.820 9.971 3.323 1.00 0.00 N ATOM 1045 CA ASP A 70 84.172 8.685 3.663 1.00 0.00 C ATOM 1046 C ASP A 70 84.278 7.784 2.444 1.00 0.00 C ATOM 1047 O ASP A 70 84.286 6.572 2.539 1.00 0.00 O ATOM 1048 CB ASP A 70 82.718 9.048 3.955 1.00 0.00 C ATOM 1049 CG ASP A 70 81.834 7.808 3.834 1.00 0.00 C ATOM 1050 OD1 ASP A 70 82.369 6.713 3.879 1.00 0.00 O ATOM 1051 OD2 ASP A 70 80.633 7.978 3.697 1.00 0.00 O ATOM 0 H ASP A 70 84.185 10.708 3.017 1.00 0.00 H new ATOM 0 HA ASP A 70 84.620 8.167 4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.634 9.468 4.957 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.379 9.815 3.259 1.00 0.00 H new ATOM 1056 N LEU A 71 84.385 8.387 1.293 1.00 0.00 N ATOM 1057 CA LEU A 71 84.521 7.597 0.049 1.00 0.00 C ATOM 1058 C LEU A 71 85.988 7.198 -0.126 1.00 0.00 C ATOM 1059 O LEU A 71 86.303 6.154 -0.663 1.00 0.00 O ATOM 1060 CB LEU A 71 84.070 8.534 -1.075 1.00 0.00 C ATOM 1061 CG LEU A 71 84.240 7.847 -2.435 1.00 0.00 C ATOM 1062 CD1 LEU A 71 85.716 7.859 -2.834 1.00 0.00 C ATOM 1063 CD2 LEU A 71 83.747 6.399 -2.349 1.00 0.00 C ATOM 0 H LEU A 71 84.384 9.399 1.165 1.00 0.00 H new ATOM 0 HA LEU A 71 83.929 6.682 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 71 83.027 8.814 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.654 9.454 -1.048 1.00 0.00 H new ATOM 0 HG LEU A 71 83.656 8.383 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 71 85.835 7.370 -3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 71 86.066 8.889 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 71 86.300 7.326 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 71 83.870 5.915 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 71 84.326 5.861 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 71 82.694 6.389 -2.069 1.00 0.00 H new ATOM 1075 N GLU A 72 86.885 8.025 0.341 1.00 0.00 N ATOM 1076 CA GLU A 72 88.335 7.707 0.223 1.00 0.00 C ATOM 1077 C GLU A 72 88.705 6.622 1.237 1.00 0.00 C ATOM 1078 O GLU A 72 89.520 5.756 0.970 1.00 0.00 O ATOM 1079 CB GLU A 72 89.058 9.014 0.546 1.00 0.00 C ATOM 1080 CG GLU A 72 90.570 8.784 0.517 1.00 0.00 C ATOM 1081 CD GLU A 72 91.250 9.946 -0.209 1.00 0.00 C ATOM 1082 OE1 GLU A 72 90.794 10.294 -1.286 1.00 0.00 O ATOM 1083 OE2 GLU A 72 92.215 10.468 0.324 1.00 0.00 O ATOM 0 H GLU A 72 86.673 8.911 0.801 1.00 0.00 H new ATOM 0 HA GLU A 72 88.603 7.334 -0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.783 9.782 -0.177 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.754 9.377 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 72 90.955 8.701 1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 72 90.796 7.844 0.013 1.00 0.00 H new ATOM 1090 N LYS A 73 88.085 6.636 2.389 1.00 0.00 N ATOM 1091 CA LYS A 73 88.385 5.585 3.387 1.00 0.00 C ATOM 1092 C LYS A 73 87.634 4.344 2.959 1.00 0.00 C ATOM 1093 O LYS A 73 88.042 3.226 3.203 1.00 0.00 O ATOM 1094 CB LYS A 73 87.857 6.120 4.719 1.00 0.00 C ATOM 1095 CG LYS A 73 88.571 5.413 5.873 1.00 0.00 C ATOM 1096 CD LYS A 73 90.029 5.868 5.927 1.00 0.00 C ATOM 1097 CE LYS A 73 90.084 7.373 6.199 1.00 0.00 C ATOM 1098 NZ LYS A 73 91.170 7.543 7.204 1.00 0.00 N ATOM 0 H LYS A 73 87.391 7.327 2.674 1.00 0.00 H new ATOM 0 HA LYS A 73 89.444 5.342 3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 73 88.020 7.196 4.781 1.00 0.00 H new ATOM 0 HB3 LYS A 73 86.782 5.956 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 73 88.073 5.640 6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 73 88.521 4.333 5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 73 90.561 5.327 6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 73 90.528 5.639 4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 73 90.298 7.931 5.288 1.00 0.00 H new ATOM 0 HE3 LYS A 73 89.131 7.740 6.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 91.268 8.551 7.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 90.935 7.006 8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 92.066 7.191 6.810 1.00 0.00 H new ATOM 1112 N ALA A 74 86.538 4.546 2.285 1.00 0.00 N ATOM 1113 CA ALA A 74 85.755 3.396 1.798 1.00 0.00 C ATOM 1114 C ALA A 74 86.540 2.714 0.680 1.00 0.00 C ATOM 1115 O ALA A 74 86.406 1.531 0.438 1.00 0.00 O ATOM 1116 CB ALA A 74 84.451 3.988 1.270 1.00 0.00 C ATOM 0 H ALA A 74 86.156 5.463 2.054 1.00 0.00 H new ATOM 0 HA ALA A 74 85.558 2.652 2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.816 3.188 0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.935 4.509 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.670 4.691 0.466 1.00 0.00 H new ATOM 1122 N LEU A 75 87.382 3.460 0.014 1.00 0.00 N ATOM 1123 CA LEU A 75 88.208 2.874 -1.067 1.00 0.00 C ATOM 1124 C LEU A 75 89.285 2.010 -0.427 1.00 0.00 C ATOM 1125 O LEU A 75 89.485 0.869 -0.792 1.00 0.00 O ATOM 1126 CB LEU A 75 88.826 4.075 -1.781 1.00 0.00 C ATOM 1127 CG LEU A 75 89.100 3.721 -3.241 1.00 0.00 C ATOM 1128 CD1 LEU A 75 90.185 2.644 -3.309 1.00 0.00 C ATOM 1129 CD2 LEU A 75 87.817 3.196 -3.888 1.00 0.00 C ATOM 0 H LEU A 75 87.529 4.456 0.178 1.00 0.00 H new ATOM 0 HA LEU A 75 87.645 2.250 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.152 4.930 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.753 4.366 -1.287 1.00 0.00 H new ATOM 0 HG LEU A 75 89.437 4.610 -3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 75 90.381 2.391 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 75 91.099 3.019 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 75 89.849 1.754 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 75 88.012 2.943 -4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 75 87.479 2.307 -3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.045 3.964 -3.839 1.00 0.00 H new ATOM 1141 N GLU A 76 89.965 2.543 0.553 1.00 0.00 N ATOM 1142 CA GLU A 76 91.006 1.743 1.242 1.00 0.00 C ATOM 1143 C GLU A 76 90.330 0.720 2.157 1.00 0.00 C ATOM 1144 O GLU A 76 90.973 -0.123 2.751 1.00 0.00 O ATOM 1145 CB GLU A 76 91.804 2.747 2.065 1.00 0.00 C ATOM 1146 CG GLU A 76 93.208 2.895 1.476 1.00 0.00 C ATOM 1147 CD GLU A 76 94.187 2.019 2.261 1.00 0.00 C ATOM 1148 OE1 GLU A 76 93.785 0.949 2.686 1.00 0.00 O ATOM 1149 OE2 GLU A 76 95.323 2.435 2.423 1.00 0.00 O ATOM 0 H GLU A 76 89.842 3.494 0.901 1.00 0.00 H new ATOM 0 HA GLU A 76 91.645 1.197 0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 76 91.298 3.712 2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.867 2.415 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.205 2.604 0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.523 3.938 1.517 1.00 0.00 H new ATOM 1156 N LEU A 77 89.028 0.793 2.271 1.00 0.00 N ATOM 1157 CA LEU A 77 88.294 -0.165 3.141 1.00 0.00 C ATOM 1158 C LEU A 77 88.190 -1.534 2.461 1.00 0.00 C ATOM 1159 O LEU A 77 87.534 -2.430 2.954 1.00 0.00 O ATOM 1160 CB LEU A 77 86.904 0.449 3.316 1.00 0.00 C ATOM 1161 CG LEU A 77 86.624 0.683 4.803 1.00 0.00 C ATOM 1162 CD1 LEU A 77 87.002 -0.567 5.598 1.00 0.00 C ATOM 1163 CD2 LEU A 77 87.451 1.871 5.295 1.00 0.00 C ATOM 0 H LEU A 77 88.442 1.479 1.795 1.00 0.00 H new ATOM 0 HA LEU A 77 88.798 -0.323 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.842 1.392 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 77 86.148 -0.213 2.894 1.00 0.00 H new ATOM 0 HG LEU A 77 85.564 0.894 4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 77 86.802 -0.399 6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 77 86.412 -1.414 5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 77 88.062 -0.781 5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 77 87.253 2.039 6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 77 88.511 1.660 5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 77 87.180 2.762 4.729 1.00 0.00 H new ATOM 1175 N THR A 78 88.834 -1.709 1.336 1.00 0.00 N ATOM 1176 CA THR A 78 88.764 -3.027 0.643 1.00 0.00 C ATOM 1177 C THR A 78 89.428 -4.107 1.491 1.00 0.00 C ATOM 1178 O THR A 78 89.344 -5.284 1.204 1.00 0.00 O ATOM 1179 CB THR A 78 89.511 -2.833 -0.677 1.00 0.00 C ATOM 1180 OG1 THR A 78 89.512 -1.454 -1.021 1.00 0.00 O ATOM 1181 CG2 THR A 78 88.819 -3.636 -1.780 1.00 0.00 C ATOM 0 H THR A 78 89.401 -1.000 0.871 1.00 0.00 H new ATOM 0 HA THR A 78 87.736 -3.348 0.476 1.00 0.00 H new ATOM 0 HB THR A 78 90.538 -3.181 -0.568 1.00 0.00 H new ATOM 0 HG1 THR A 78 89.992 -1.328 -1.866 1.00 0.00 H new ATOM 0 HG21 THR A 78 89.352 -3.497 -2.720 1.00 0.00 H new ATOM 0 HG22 THR A 78 88.820 -4.693 -1.515 1.00 0.00 H new ATOM 0 HG23 THR A 78 87.791 -3.291 -1.891 1.00 0.00 H new ATOM 1189 N GLY A 79 90.070 -3.707 2.540 1.00 0.00 N ATOM 1190 CA GLY A 79 90.734 -4.696 3.436 1.00 0.00 C ATOM 1191 C GLY A 79 89.769 -5.068 4.562 1.00 0.00 C ATOM 1192 O GLY A 79 90.174 -5.391 5.662 1.00 0.00 O ATOM 0 H GLY A 79 90.168 -2.732 2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.017 -5.585 2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.651 -4.275 3.849 1.00 0.00 H new ATOM 1196 N LEU A 80 88.491 -5.017 4.295 1.00 0.00 N ATOM 1197 CA LEU A 80 87.490 -5.355 5.342 1.00 0.00 C ATOM 1198 C LEU A 80 86.730 -6.616 4.955 1.00 0.00 C ATOM 1199 O LEU A 80 86.012 -6.658 3.976 1.00 0.00 O ATOM 1200 CB LEU A 80 86.570 -4.131 5.397 1.00 0.00 C ATOM 1201 CG LEU A 80 85.117 -4.550 5.634 1.00 0.00 C ATOM 1202 CD1 LEU A 80 85.016 -5.341 6.939 1.00 0.00 C ATOM 1203 CD2 LEU A 80 84.233 -3.303 5.723 1.00 0.00 C ATOM 0 H LEU A 80 88.098 -4.754 3.391 1.00 0.00 H new ATOM 0 HA LEU A 80 87.939 -5.563 6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 80 86.895 -3.463 6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 80 86.644 -3.573 4.464 1.00 0.00 H new ATOM 0 HG LEU A 80 84.782 -5.175 4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 80 83.981 -5.638 7.105 1.00 0.00 H new ATOM 0 HD12 LEU A 80 85.643 -6.230 6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 80 85.353 -4.719 7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 80 83.198 -3.602 5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 80 84.569 -2.677 6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 80 84.301 -2.741 4.791 1.00 0.00 H new ATOM 1215 N LYS A 81 86.869 -7.630 5.745 1.00 0.00 N ATOM 1216 CA LYS A 81 86.143 -8.890 5.466 1.00 0.00 C ATOM 1217 C LYS A 81 85.112 -9.116 6.530 1.00 0.00 C ATOM 1218 O LYS A 81 85.357 -9.675 7.577 1.00 0.00 O ATOM 1219 CB LYS A 81 87.161 -9.987 5.477 1.00 0.00 C ATOM 1220 CG LYS A 81 86.485 -11.322 5.165 1.00 0.00 C ATOM 1221 CD LYS A 81 87.548 -12.412 5.019 1.00 0.00 C ATOM 1222 CE LYS A 81 88.279 -12.238 3.686 1.00 0.00 C ATOM 1223 NZ LYS A 81 89.703 -12.001 4.056 1.00 0.00 N ATOM 0 H LYS A 81 87.457 -7.643 6.578 1.00 0.00 H new ATOM 0 HA LYS A 81 85.631 -8.855 4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.939 -9.782 4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 81 87.648 -10.034 6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 81 85.788 -11.583 5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 81 85.904 -11.241 4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 81 88.257 -12.356 5.845 1.00 0.00 H new ATOM 0 HD3 LYS A 81 87.083 -13.397 5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 81 88.176 -13.125 3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 81 87.873 -11.400 3.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 90.269 -11.872 3.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 89.771 -11.147 4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 90.064 -12.818 4.588 1.00 0.00 H new ATOM 1237 N VAL A 82 83.968 -8.661 6.224 1.00 0.00 N ATOM 1238 CA VAL A 82 82.795 -8.783 7.143 1.00 0.00 C ATOM 1239 C VAL A 82 82.696 -10.209 7.691 1.00 0.00 C ATOM 1240 O VAL A 82 83.536 -10.660 8.443 1.00 0.00 O ATOM 1241 CB VAL A 82 81.587 -8.432 6.271 1.00 0.00 C ATOM 1242 CG1 VAL A 82 80.334 -8.347 7.144 1.00 0.00 C ATOM 1243 CG2 VAL A 82 81.825 -7.081 5.591 1.00 0.00 C ATOM 0 H VAL A 82 83.763 -8.186 5.345 1.00 0.00 H new ATOM 0 HA VAL A 82 82.868 -8.130 8.013 1.00 0.00 H new ATOM 0 HB VAL A 82 81.450 -9.203 5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 82 79.474 -8.097 6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 82 80.163 -9.308 7.630 1.00 0.00 H new ATOM 0 HG13 VAL A 82 80.470 -7.576 7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 82 80.965 -6.830 4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 82 81.961 -6.311 6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 82 82.718 -7.139 4.969 1.00 0.00 H new ATOM 1253 N PHE A 83 81.684 -10.924 7.328 1.00 0.00 N ATOM 1254 CA PHE A 83 81.551 -12.320 7.828 1.00 0.00 C ATOM 1255 C PHE A 83 82.448 -13.251 7.004 1.00 0.00 C ATOM 1256 O PHE A 83 82.022 -14.297 6.553 1.00 0.00 O ATOM 1257 CB PHE A 83 80.076 -12.675 7.630 1.00 0.00 C ATOM 1258 CG PHE A 83 79.215 -11.673 8.363 1.00 0.00 C ATOM 1259 CD1 PHE A 83 79.576 -11.246 9.646 1.00 0.00 C ATOM 1260 CD2 PHE A 83 78.054 -11.173 7.760 1.00 0.00 C ATOM 1261 CE1 PHE A 83 78.779 -10.317 10.326 1.00 0.00 C ATOM 1262 CE2 PHE A 83 77.257 -10.245 8.440 1.00 0.00 C ATOM 1263 CZ PHE A 83 77.619 -9.817 9.723 1.00 0.00 C ATOM 0 H PHE A 83 80.939 -10.610 6.707 1.00 0.00 H new ATOM 0 HA PHE A 83 81.852 -12.422 8.871 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.830 -12.674 6.568 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.880 -13.681 8.002 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.470 -11.633 10.112 1.00 0.00 H new ATOM 0 HD2 PHE A 83 77.774 -11.503 6.771 1.00 0.00 H new ATOM 0 HE1 PHE A 83 79.059 -9.986 11.315 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.362 -9.859 7.975 1.00 0.00 H new ATOM 0 HZ PHE A 83 77.003 -9.101 10.247 1.00 0.00 H new ATOM 1273 N GLY A 84 83.687 -12.878 6.794 1.00 0.00 N ATOM 1274 CA GLY A 84 84.600 -13.738 5.992 1.00 0.00 C ATOM 1275 C GLY A 84 84.341 -13.495 4.506 1.00 0.00 C ATOM 1276 O GLY A 84 84.576 -14.349 3.674 1.00 0.00 O ATOM 0 H GLY A 84 84.102 -12.015 7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.638 -13.512 6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 84 84.437 -14.788 6.235 1.00 0.00 H new ATOM 1280 N ASN A 85 83.856 -12.331 4.166 1.00 0.00 N ATOM 1281 CA ASN A 85 83.577 -12.028 2.734 1.00 0.00 C ATOM 1282 C ASN A 85 84.037 -10.608 2.397 1.00 0.00 C ATOM 1283 O ASN A 85 83.239 -9.704 2.252 1.00 0.00 O ATOM 1284 CB ASN A 85 82.061 -12.145 2.593 1.00 0.00 C ATOM 1285 CG ASN A 85 81.385 -11.086 3.466 1.00 0.00 C ATOM 1286 OD1 ASN A 85 81.283 -11.246 4.666 1.00 0.00 O ATOM 1287 ND2 ASN A 85 80.917 -10.001 2.911 1.00 0.00 N ATOM 0 H ASN A 85 83.641 -11.577 4.819 1.00 0.00 H new ATOM 0 HA ASN A 85 84.103 -12.703 2.059 1.00 0.00 H new ATOM 0 HB2 ASN A 85 81.771 -12.012 1.551 1.00 0.00 H new ATOM 0 HB3 ASN A 85 81.733 -13.141 2.891 1.00 0.00 H new ATOM 0 HD21 ASN A 85 80.466 -9.288 3.485 1.00 0.00 H new ATOM 0 HD22 ASN A 85 81.002 -9.866 1.904 1.00 0.00 H new ATOM 1294 N GLU A 86 85.320 -10.404 2.268 1.00 0.00 N ATOM 1295 CA GLU A 86 85.829 -9.044 1.937 1.00 0.00 C ATOM 1296 C GLU A 86 84.964 -8.410 0.852 1.00 0.00 C ATOM 1297 O GLU A 86 85.134 -8.654 -0.326 1.00 0.00 O ATOM 1298 CB GLU A 86 87.253 -9.268 1.450 1.00 0.00 C ATOM 1299 CG GLU A 86 87.745 -8.023 0.713 1.00 0.00 C ATOM 1300 CD GLU A 86 87.819 -8.311 -0.787 1.00 0.00 C ATOM 1301 OE1 GLU A 86 87.823 -9.477 -1.147 1.00 0.00 O ATOM 1302 OE2 GLU A 86 87.871 -7.362 -1.551 1.00 0.00 O ATOM 0 H GLU A 86 86.037 -11.121 2.378 1.00 0.00 H new ATOM 0 HA GLU A 86 85.800 -8.365 2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 86 87.907 -9.485 2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 86 87.290 -10.133 0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 86 87.071 -7.187 0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 86 88.727 -7.731 1.086 1.00 0.00 H new ATOM 1309 N ILE A 87 84.028 -7.600 1.255 1.00 0.00 N ATOM 1310 CA ILE A 87 83.129 -6.941 0.265 1.00 0.00 C ATOM 1311 C ILE A 87 83.951 -6.201 -0.792 1.00 0.00 C ATOM 1312 O ILE A 87 84.805 -5.393 -0.482 1.00 0.00 O ATOM 1313 CB ILE A 87 82.271 -5.954 1.067 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.100 -4.717 1.434 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.764 -6.625 2.346 1.00 0.00 C ATOM 1316 CD1 ILE A 87 84.333 -5.135 2.236 1.00 0.00 C ATOM 0 H ILE A 87 83.845 -7.364 2.230 1.00 0.00 H new ATOM 0 HA ILE A 87 82.512 -7.669 -0.262 1.00 0.00 H new ATOM 0 HB ILE A 87 81.421 -5.650 0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.405 -4.192 0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 87 82.495 -4.023 2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 87 81.156 -5.919 2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 87 81.162 -7.496 2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 87 82.613 -6.939 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 87 84.917 -4.251 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 87 84.019 -5.640 3.149 1.00 0.00 H new ATOM 0 HD13 ILE A 87 84.944 -5.812 1.638 1.00 0.00 H new ATOM 1328 N LYS A 88 83.694 -6.472 -2.039 1.00 0.00 N ATOM 1329 CA LYS A 88 84.449 -5.786 -3.128 1.00 0.00 C ATOM 1330 C LYS A 88 83.581 -4.687 -3.739 1.00 0.00 C ATOM 1331 O LYS A 88 82.443 -4.909 -4.097 1.00 0.00 O ATOM 1332 CB LYS A 88 84.743 -6.866 -4.169 1.00 0.00 C ATOM 1333 CG LYS A 88 85.141 -8.169 -3.470 1.00 0.00 C ATOM 1334 CD LYS A 88 85.974 -9.027 -4.424 1.00 0.00 C ATOM 1335 CE LYS A 88 85.401 -10.445 -4.470 1.00 0.00 C ATOM 1336 NZ LYS A 88 85.474 -10.842 -5.903 1.00 0.00 N ATOM 0 H LYS A 88 82.992 -7.141 -2.355 1.00 0.00 H new ATOM 0 HA LYS A 88 85.365 -5.322 -2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.864 -7.031 -4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 88 85.545 -6.538 -4.830 1.00 0.00 H new ATOM 0 HG2 LYS A 88 85.712 -7.950 -2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 88 84.250 -8.714 -3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 88 85.969 -8.589 -5.422 1.00 0.00 H new ATOM 0 HD3 LYS A 88 87.012 -9.054 -4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 88 85.977 -11.124 -3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 88 84.374 -10.468 -4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 85.098 -11.805 -6.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 84.911 -10.181 -6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 86.464 -10.817 -6.220 1.00 0.00 H new ATOM 1350 N LEU A 89 84.101 -3.503 -3.861 1.00 0.00 N ATOM 1351 CA LEU A 89 83.293 -2.401 -4.443 1.00 0.00 C ATOM 1352 C LEU A 89 83.839 -1.996 -5.812 1.00 0.00 C ATOM 1353 O LEU A 89 84.877 -2.456 -6.243 1.00 0.00 O ATOM 1354 CB LEU A 89 83.418 -1.241 -3.452 1.00 0.00 C ATOM 1355 CG LEU A 89 84.856 -1.136 -2.936 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.202 0.334 -2.687 1.00 0.00 C ATOM 1357 CD2 LEU A 89 84.986 -1.918 -1.628 1.00 0.00 C ATOM 0 H LEU A 89 85.049 -3.250 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 89 82.255 -2.698 -4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 89 83.129 -0.308 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 89 82.735 -1.392 -2.616 1.00 0.00 H new ATOM 0 HG LEU A 89 85.540 -1.550 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 89 86.225 0.410 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.108 0.893 -3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 89 84.519 0.748 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.009 -1.844 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.303 -1.503 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 89 84.739 -2.965 -1.804 1.00 0.00 H new ATOM 1369 N GLU A 90 83.139 -1.135 -6.497 1.00 0.00 N ATOM 1370 CA GLU A 90 83.604 -0.690 -7.841 1.00 0.00 C ATOM 1371 C GLU A 90 82.785 0.518 -8.305 1.00 0.00 C ATOM 1372 O GLU A 90 81.760 0.839 -7.738 1.00 0.00 O ATOM 1373 CB GLU A 90 83.363 -1.887 -8.760 1.00 0.00 C ATOM 1374 CG GLU A 90 84.601 -2.123 -9.628 1.00 0.00 C ATOM 1375 CD GLU A 90 84.170 -2.392 -11.071 1.00 0.00 C ATOM 1376 OE1 GLU A 90 83.033 -2.790 -11.263 1.00 0.00 O ATOM 1377 OE2 GLU A 90 84.985 -2.197 -11.958 1.00 0.00 O ATOM 0 H GLU A 90 82.262 -0.719 -6.183 1.00 0.00 H new ATOM 0 HA GLU A 90 84.650 -0.385 -7.838 1.00 0.00 H new ATOM 0 HB2 GLU A 90 83.147 -2.776 -8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 90 82.493 -1.705 -9.391 1.00 0.00 H new ATOM 0 HG2 GLU A 90 85.256 -1.253 -9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 90 85.171 -2.969 -9.244 1.00 0.00 H new