USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=14 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 24 ASN :FLIP amide:sc= -0.451 F(o=-3.6,f=-1.2) USER MOD Set 1.2: A 85 ASN : amide:sc= -0.779 K(o=-1.2,f=-4.3!) USER MOD Set 2.1: A 26 ASN : amide:sc= -3.34! C(o=-3.4!,f=-7.2!) USER MOD Set 2.2: A 28 ASN :FLIP amide:sc= -0.077 F(o=-4.4,f=-3.4) USER MOD Set 3.1: A 16 THR OG1 : rot -130:sc= -2.28! USER MOD Set 3.2: A 19 ASN : amide:sc= -4.56! C(o=-6.8!,f=-8.1!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 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+ -132:sc= -7.54! (180deg=-9.98!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= 0.417 (180deg=0.0352) USER MOD Single : A 45 ASN :FLIP amide:sc= -1.5 F(o=-3!,f=-1.5) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 154:sc= 0.314 USER MOD Single : A 57 ASN : amide:sc= -0.074 K(o=-0.074,f=-2.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 67 SER OG : rot -92:sc= -2.11! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 91:sc= -3.11! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.444 9.471 -2.039 1.00 0.00 N ATOM 191 CA THR A 15 70.266 10.499 -0.973 1.00 0.00 C ATOM 192 C THR A 15 71.609 11.151 -0.643 1.00 0.00 C ATOM 193 O THR A 15 71.674 12.197 -0.027 1.00 0.00 O ATOM 194 CB THR A 15 69.723 9.723 0.231 1.00 0.00 C ATOM 195 OG1 THR A 15 69.042 10.616 1.100 1.00 0.00 O ATOM 196 CG2 THR A 15 70.871 9.046 0.988 1.00 0.00 C ATOM 0 HA THR A 15 69.594 11.303 -1.273 1.00 0.00 H new ATOM 0 HB THR A 15 69.034 8.956 -0.123 1.00 0.00 H new ATOM 0 HG1 THR A 15 68.693 10.121 1.870 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.471 8.498 1.841 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.388 8.354 0.323 1.00 0.00 H new ATOM 0 HG23 THR A 15 71.572 9.803 1.339 1.00 0.00 H new ATOM 204 N THR A 16 72.678 10.531 -1.045 1.00 0.00 N ATOM 205 CA THR A 16 74.027 11.095 -0.757 1.00 0.00 C ATOM 206 C THR A 16 74.772 11.397 -2.058 1.00 0.00 C ATOM 207 O THR A 16 74.401 10.924 -3.113 1.00 0.00 O ATOM 208 CB THR A 16 74.757 10.003 0.026 1.00 0.00 C ATOM 209 OG1 THR A 16 74.001 8.801 -0.018 1.00 0.00 O ATOM 210 CG2 THR A 16 74.931 10.438 1.480 1.00 0.00 C ATOM 0 H THR A 16 72.679 9.653 -1.564 1.00 0.00 H new ATOM 0 HA THR A 16 73.965 12.031 -0.201 1.00 0.00 H new ATOM 0 HB THR A 16 75.737 9.836 -0.421 1.00 0.00 H new ATOM 0 HG1 THR A 16 73.899 8.445 0.889 1.00 0.00 H new ATOM 0 HG21 THR A 16 75.452 9.657 2.034 1.00 0.00 H new ATOM 0 HG22 THR A 16 75.513 11.359 1.517 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.952 10.610 1.928 1.00 0.00 H new ATOM 218 N PRO A 17 75.804 12.183 -1.930 1.00 0.00 N ATOM 219 CA PRO A 17 76.624 12.564 -3.103 1.00 0.00 C ATOM 220 C PRO A 17 77.540 11.407 -3.515 1.00 0.00 C ATOM 221 O PRO A 17 77.887 11.259 -4.670 1.00 0.00 O ATOM 222 CB PRO A 17 77.445 13.745 -2.596 1.00 0.00 C ATOM 223 CG PRO A 17 77.518 13.563 -1.111 1.00 0.00 C ATOM 224 CD PRO A 17 76.298 12.786 -0.689 1.00 0.00 C ATOM 0 HA PRO A 17 76.026 12.808 -3.981 1.00 0.00 H new ATOM 0 HB2 PRO A 17 78.440 13.753 -3.041 1.00 0.00 H new ATOM 0 HB3 PRO A 17 76.973 14.693 -2.854 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.427 13.029 -0.835 1.00 0.00 H new ATOM 0 HG3 PRO A 17 77.550 14.529 -0.608 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.547 12.025 0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 17 75.549 13.436 -0.237 1.00 0.00 H new ATOM 232 N PHE A 18 77.938 10.588 -2.579 1.00 0.00 N ATOM 233 CA PHE A 18 78.835 9.447 -2.921 1.00 0.00 C ATOM 234 C PHE A 18 78.078 8.120 -2.834 1.00 0.00 C ATOM 235 O PHE A 18 77.677 7.689 -1.773 1.00 0.00 O ATOM 236 CB PHE A 18 79.952 9.497 -1.880 1.00 0.00 C ATOM 237 CG PHE A 18 80.802 10.722 -2.119 1.00 0.00 C ATOM 238 CD1 PHE A 18 81.776 10.712 -3.124 1.00 0.00 C ATOM 239 CD2 PHE A 18 80.613 11.867 -1.338 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.562 11.848 -3.348 1.00 0.00 C ATOM 241 CE2 PHE A 18 81.398 13.004 -1.562 1.00 0.00 C ATOM 242 CZ PHE A 18 82.373 12.995 -2.567 1.00 0.00 C ATOM 0 H PHE A 18 77.681 10.659 -1.594 1.00 0.00 H new ATOM 0 HA PHE A 18 79.219 9.520 -3.939 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.528 9.524 -0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.564 8.597 -1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 18 81.921 9.828 -3.727 1.00 0.00 H new ATOM 0 HD2 PHE A 18 79.862 11.874 -0.562 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.314 11.840 -4.123 1.00 0.00 H new ATOM 0 HE2 PHE A 18 81.252 13.888 -0.960 1.00 0.00 H new ATOM 0 HZ PHE A 18 82.979 13.872 -2.740 1.00 0.00 H new ATOM 252 N ASN A 19 77.886 7.469 -3.948 1.00 0.00 N ATOM 253 CA ASN A 19 77.164 6.170 -3.945 1.00 0.00 C ATOM 254 C ASN A 19 77.821 5.224 -4.950 1.00 0.00 C ATOM 255 O ASN A 19 78.362 5.649 -5.952 1.00 0.00 O ATOM 256 CB ASN A 19 75.737 6.501 -4.382 1.00 0.00 C ATOM 257 CG ASN A 19 75.271 7.791 -3.701 1.00 0.00 C ATOM 258 OD1 ASN A 19 75.804 8.853 -3.957 1.00 0.00 O ATOM 259 ND2 ASN A 19 74.292 7.744 -2.840 1.00 0.00 N ATOM 0 H ASN A 19 78.201 7.785 -4.865 1.00 0.00 H new ATOM 0 HA ASN A 19 77.182 5.683 -2.970 1.00 0.00 H new ATOM 0 HB2 ASN A 19 75.696 6.616 -5.465 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.068 5.680 -4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 19 73.974 8.598 -2.382 1.00 0.00 H new ATOM 0 HD22 ASN A 19 73.844 6.853 -2.625 1.00 0.00 H new ATOM 266 N LEU A 20 77.783 3.950 -4.694 1.00 0.00 N ATOM 267 CA LEU A 20 78.413 2.988 -5.643 1.00 0.00 C ATOM 268 C LEU A 20 77.932 1.565 -5.359 1.00 0.00 C ATOM 269 O LEU A 20 77.102 1.335 -4.502 1.00 0.00 O ATOM 270 CB LEU A 20 79.916 3.106 -5.390 1.00 0.00 C ATOM 271 CG LEU A 20 80.226 2.701 -3.947 1.00 0.00 C ATOM 272 CD1 LEU A 20 80.263 1.175 -3.841 1.00 0.00 C ATOM 273 CD2 LEU A 20 81.584 3.272 -3.540 1.00 0.00 C ATOM 0 H LEU A 20 77.346 3.531 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 20 78.155 3.207 -6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.463 2.467 -6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.246 4.129 -5.570 1.00 0.00 H new ATOM 0 HG LEU A 20 79.453 3.092 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 20 80.484 0.887 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 20 79.295 0.766 -4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 20 81.036 0.783 -4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 20 81.806 2.984 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 20 82.357 2.880 -4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 20 81.559 4.359 -3.615 1.00 0.00 H new ATOM 285 N PHE A 21 78.451 0.607 -6.076 1.00 0.00 N ATOM 286 CA PHE A 21 78.026 -0.802 -5.852 1.00 0.00 C ATOM 287 C PHE A 21 79.154 -1.594 -5.190 1.00 0.00 C ATOM 288 O PHE A 21 80.319 -1.281 -5.337 1.00 0.00 O ATOM 289 CB PHE A 21 77.733 -1.352 -7.248 1.00 0.00 C ATOM 290 CG PHE A 21 76.822 -2.551 -7.136 1.00 0.00 C ATOM 291 CD1 PHE A 21 77.331 -3.779 -6.695 1.00 0.00 C ATOM 292 CD2 PHE A 21 75.469 -2.436 -7.474 1.00 0.00 C ATOM 293 CE1 PHE A 21 76.488 -4.891 -6.592 1.00 0.00 C ATOM 294 CE2 PHE A 21 74.625 -3.547 -7.371 1.00 0.00 C ATOM 295 CZ PHE A 21 75.134 -4.774 -6.930 1.00 0.00 C ATOM 0 H PHE A 21 79.150 0.739 -6.807 1.00 0.00 H new ATOM 0 HA PHE A 21 77.159 -0.874 -5.195 1.00 0.00 H new ATOM 0 HB2 PHE A 21 77.265 -0.583 -7.863 1.00 0.00 H new ATOM 0 HB3 PHE A 21 78.663 -1.633 -7.742 1.00 0.00 H new ATOM 0 HD1 PHE A 21 78.375 -3.868 -6.434 1.00 0.00 H new ATOM 0 HD2 PHE A 21 75.076 -1.489 -7.814 1.00 0.00 H new ATOM 0 HE1 PHE A 21 76.881 -5.838 -6.252 1.00 0.00 H new ATOM 0 HE2 PHE A 21 73.581 -3.458 -7.632 1.00 0.00 H new ATOM 0 HZ PHE A 21 74.482 -5.631 -6.850 1.00 0.00 H new ATOM 305 N ILE A 22 78.817 -2.620 -4.462 1.00 0.00 N ATOM 306 CA ILE A 22 79.864 -3.438 -3.790 1.00 0.00 C ATOM 307 C ILE A 22 79.503 -4.922 -3.907 1.00 0.00 C ATOM 308 O ILE A 22 78.355 -5.279 -4.067 1.00 0.00 O ATOM 309 CB ILE A 22 79.860 -2.958 -2.329 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.905 -1.853 -2.160 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.190 -4.113 -1.376 1.00 0.00 C ATOM 312 CD1 ILE A 22 80.566 -1.015 -0.926 1.00 0.00 C ATOM 0 H ILE A 22 77.858 -2.929 -4.303 1.00 0.00 H new ATOM 0 HA ILE A 22 80.853 -3.325 -4.234 1.00 0.00 H new ATOM 0 HB ILE A 22 78.867 -2.579 -2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.898 -2.290 -2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 22 80.928 -1.220 -3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 22 80.182 -3.750 -0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.446 -4.902 -1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.177 -4.509 -1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 22 81.310 -0.228 -0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 22 79.580 -0.567 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.566 -1.653 -0.042 1.00 0.00 H new ATOM 324 N GLY A 23 80.476 -5.785 -3.838 1.00 0.00 N ATOM 325 CA GLY A 23 80.179 -7.241 -3.953 1.00 0.00 C ATOM 326 C GLY A 23 80.950 -8.012 -2.881 1.00 0.00 C ATOM 327 O GLY A 23 81.529 -7.438 -1.982 1.00 0.00 O ATOM 0 H GLY A 23 81.460 -5.548 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 23 79.109 -7.413 -3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.456 -7.601 -4.944 1.00 0.00 H new ATOM 331 N ASN A 24 80.957 -9.315 -2.975 1.00 0.00 N ATOM 332 CA ASN A 24 81.688 -10.143 -1.969 1.00 0.00 C ATOM 333 C ASN A 24 80.948 -10.132 -0.629 1.00 0.00 C ATOM 334 O ASN A 24 81.524 -9.869 0.408 1.00 0.00 O ATOM 335 CB ASN A 24 83.066 -9.491 -1.827 1.00 0.00 C ATOM 336 CG ASN A 24 84.135 -10.579 -1.710 1.00 0.00 C ATOM 337 OD1 ASN A 24 84.628 -10.867 -0.537 1.00 0.00 O flip ATOM 338 ND2 ASN A 24 84.525 -11.172 -2.696 1.00 0.00 N flip ATOM 0 H ASN A 24 80.486 -9.845 -3.708 1.00 0.00 H new ATOM 0 HA ASN A 24 81.765 -11.185 -2.280 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.271 -8.856 -2.689 1.00 0.00 H new ATOM 0 HB3 ASN A 24 83.087 -8.849 -0.946 1.00 0.00 H new ATOM 0 HD21 ASN A 24 84.139 -10.946 -3.613 1.00 0.00 H new ATOM 0 HD22 ASN A 24 85.238 -11.896 -2.607 1.00 0.00 H new ATOM 345 N LEU A 25 79.676 -10.425 -0.641 1.00 0.00 N ATOM 346 CA LEU A 25 78.903 -10.441 0.634 1.00 0.00 C ATOM 347 C LEU A 25 78.687 -11.883 1.094 1.00 0.00 C ATOM 348 O LEU A 25 78.105 -12.689 0.397 1.00 0.00 O ATOM 349 CB LEU A 25 77.563 -9.778 0.304 1.00 0.00 C ATOM 350 CG LEU A 25 77.758 -8.276 0.070 1.00 0.00 C ATOM 351 CD1 LEU A 25 76.403 -7.572 0.144 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.684 -7.696 1.143 1.00 0.00 C ATOM 0 H LEU A 25 79.139 -10.654 -1.477 1.00 0.00 H new ATOM 0 HA LEU A 25 79.423 -9.920 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 25 77.130 -10.238 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.859 -9.938 1.121 1.00 0.00 H new ATOM 0 HG LEU A 25 78.204 -8.123 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 25 76.539 -6.503 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 25 75.740 -7.977 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 25 75.962 -7.733 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.818 -6.628 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 25 78.242 -7.851 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.652 -8.195 1.097 1.00 0.00 H new ATOM 364 N ASN A 26 79.154 -12.206 2.264 1.00 0.00 N ATOM 365 CA ASN A 26 78.987 -13.592 2.784 1.00 0.00 C ATOM 366 C ASN A 26 77.542 -14.064 2.593 1.00 0.00 C ATOM 367 O ASN A 26 76.655 -13.656 3.317 1.00 0.00 O ATOM 368 CB ASN A 26 79.328 -13.491 4.269 1.00 0.00 C ATOM 369 CG ASN A 26 79.133 -14.854 4.935 1.00 0.00 C ATOM 370 OD1 ASN A 26 79.386 -15.879 4.333 1.00 0.00 O ATOM 371 ND2 ASN A 26 78.691 -14.910 6.161 1.00 0.00 N ATOM 0 H ASN A 26 79.647 -11.567 2.888 1.00 0.00 H new ATOM 0 HA ASN A 26 79.621 -14.310 2.264 1.00 0.00 H new ATOM 0 HB2 ASN A 26 80.358 -13.158 4.394 1.00 0.00 H new ATOM 0 HB3 ASN A 26 78.692 -12.747 4.748 1.00 0.00 H new ATOM 0 HD21 ASN A 26 78.558 -15.814 6.614 1.00 0.00 H new ATOM 0 HD22 ASN A 26 78.479 -14.050 6.666 1.00 0.00 H new ATOM 378 N PRO A 27 77.358 -14.914 1.620 1.00 0.00 N ATOM 379 CA PRO A 27 76.009 -15.453 1.326 1.00 0.00 C ATOM 380 C PRO A 27 75.615 -16.505 2.367 1.00 0.00 C ATOM 381 O PRO A 27 74.510 -17.010 2.367 1.00 0.00 O ATOM 382 CB PRO A 27 76.172 -16.091 -0.051 1.00 0.00 C ATOM 383 CG PRO A 27 77.627 -16.423 -0.159 1.00 0.00 C ATOM 384 CD PRO A 27 78.379 -15.446 0.711 1.00 0.00 C ATOM 0 HA PRO A 27 75.229 -14.692 1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.556 -16.985 -0.146 1.00 0.00 H new ATOM 0 HB3 PRO A 27 75.864 -15.406 -0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.812 -17.447 0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 27 77.961 -16.351 -1.194 1.00 0.00 H new ATOM 0 HD2 PRO A 27 79.183 -15.938 1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.836 -14.654 0.118 1.00 0.00 H new ATOM 392 N ASN A 28 76.512 -16.839 3.256 1.00 0.00 N ATOM 393 CA ASN A 28 76.188 -17.858 4.297 1.00 0.00 C ATOM 394 C ASN A 28 75.380 -17.215 5.424 1.00 0.00 C ATOM 395 O ASN A 28 74.699 -17.881 6.178 1.00 0.00 O ATOM 396 CB ASN A 28 77.541 -18.344 4.815 1.00 0.00 C ATOM 397 CG ASN A 28 78.402 -18.811 3.640 1.00 0.00 C ATOM 398 OD1 ASN A 28 77.822 -19.214 2.543 1.00 0.00 O flip ATOM 399 ND2 ASN A 28 79.614 -18.808 3.720 1.00 0.00 N flip ATOM 0 H ASN A 28 77.454 -16.451 3.307 1.00 0.00 H new ATOM 0 HA ASN A 28 75.589 -18.678 3.902 1.00 0.00 H new ATOM 0 HB2 ASN A 28 78.046 -17.541 5.352 1.00 0.00 H new ATOM 0 HB3 ASN A 28 77.399 -19.161 5.522 1.00 0.00 H new ATOM 0 HD21 ASN A 28 80.068 -18.493 4.577 1.00 0.00 H new ATOM 0 HD22 ASN A 28 80.178 -19.120 2.930 1.00 0.00 H new ATOM 406 N LYS A 29 75.452 -15.921 5.538 1.00 0.00 N ATOM 407 CA LYS A 29 74.693 -15.216 6.605 1.00 0.00 C ATOM 408 C LYS A 29 73.525 -14.450 5.986 1.00 0.00 C ATOM 409 O LYS A 29 73.061 -14.770 4.909 1.00 0.00 O ATOM 410 CB LYS A 29 75.699 -14.253 7.232 1.00 0.00 C ATOM 411 CG LYS A 29 75.992 -14.683 8.671 1.00 0.00 C ATOM 412 CD LYS A 29 74.685 -14.740 9.463 1.00 0.00 C ATOM 413 CE LYS A 29 74.753 -13.757 10.635 1.00 0.00 C ATOM 414 NZ LYS A 29 73.492 -13.977 11.396 1.00 0.00 N ATOM 0 H LYS A 29 76.008 -15.316 4.933 1.00 0.00 H new ATOM 0 HA LYS A 29 74.273 -15.899 7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.620 -14.244 6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.303 -13.238 7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.477 -15.659 8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 29 76.682 -13.981 9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 29 73.844 -14.492 8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 29 74.515 -15.751 9.832 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.628 -13.945 11.258 1.00 0.00 H new ATOM 0 HE3 LYS A 29 74.827 -12.728 10.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 73.465 -13.338 12.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 72.677 -13.784 10.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 73.452 -14.963 11.724 1.00 0.00 H new ATOM 428 N SER A 30 73.049 -13.438 6.651 1.00 0.00 N ATOM 429 CA SER A 30 71.916 -12.652 6.091 1.00 0.00 C ATOM 430 C SER A 30 72.442 -11.391 5.414 1.00 0.00 C ATOM 431 O SER A 30 73.420 -10.809 5.839 1.00 0.00 O ATOM 432 CB SER A 30 71.053 -12.277 7.288 1.00 0.00 C ATOM 433 OG SER A 30 71.010 -13.367 8.200 1.00 0.00 O ATOM 0 H SER A 30 73.394 -13.121 7.557 1.00 0.00 H new ATOM 0 HA SER A 30 71.357 -13.217 5.346 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.459 -11.393 7.780 1.00 0.00 H new ATOM 0 HB3 SER A 30 70.045 -12.024 6.959 1.00 0.00 H new ATOM 0 HG SER A 30 70.456 -13.126 8.972 1.00 0.00 H new ATOM 439 N VAL A 31 71.799 -10.956 4.370 1.00 0.00 N ATOM 440 CA VAL A 31 72.273 -9.728 3.684 1.00 0.00 C ATOM 441 C VAL A 31 72.061 -8.516 4.591 1.00 0.00 C ATOM 442 O VAL A 31 72.845 -7.589 4.597 1.00 0.00 O ATOM 443 CB VAL A 31 71.426 -9.619 2.417 1.00 0.00 C ATOM 444 CG1 VAL A 31 72.072 -8.620 1.456 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.341 -10.990 1.742 1.00 0.00 C ATOM 0 H VAL A 31 70.972 -11.394 3.965 1.00 0.00 H new ATOM 0 HA VAL A 31 73.336 -9.767 3.446 1.00 0.00 H new ATOM 0 HB VAL A 31 70.424 -9.278 2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 31 71.468 -8.542 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 31 72.136 -7.643 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 31 73.073 -8.962 1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 31 70.737 -10.914 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.343 -11.330 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 31 70.882 -11.704 2.426 1.00 0.00 H new ATOM 455 N ALA A 32 71.014 -8.522 5.369 1.00 0.00 N ATOM 456 CA ALA A 32 70.764 -7.373 6.284 1.00 0.00 C ATOM 457 C ALA A 32 71.884 -7.286 7.322 1.00 0.00 C ATOM 458 O ALA A 32 72.284 -6.215 7.733 1.00 0.00 O ATOM 459 CB ALA A 32 69.426 -7.680 6.955 1.00 0.00 C ATOM 0 H ALA A 32 70.322 -9.271 5.411 1.00 0.00 H new ATOM 0 HA ALA A 32 70.739 -6.418 5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.173 -6.876 7.646 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.649 -7.764 6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.501 -8.619 7.503 1.00 0.00 H new ATOM 465 N GLU A 33 72.402 -8.409 7.740 1.00 0.00 N ATOM 466 CA GLU A 33 73.507 -8.392 8.741 1.00 0.00 C ATOM 467 C GLU A 33 74.784 -7.882 8.076 1.00 0.00 C ATOM 468 O GLU A 33 75.581 -7.194 8.682 1.00 0.00 O ATOM 469 CB GLU A 33 73.674 -9.849 9.179 1.00 0.00 C ATOM 470 CG GLU A 33 72.339 -10.387 9.698 1.00 0.00 C ATOM 471 CD GLU A 33 72.095 -9.870 11.116 1.00 0.00 C ATOM 472 OE1 GLU A 33 73.037 -9.379 11.718 1.00 0.00 O ATOM 473 OE2 GLU A 33 70.971 -9.974 11.578 1.00 0.00 O ATOM 0 H GLU A 33 72.108 -9.336 7.432 1.00 0.00 H new ATOM 0 HA GLU A 33 73.296 -7.741 9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.020 -10.454 8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.433 -9.920 9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.528 -10.073 9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.348 -11.477 9.694 1.00 0.00 H new ATOM 480 N LEU A 34 74.977 -8.206 6.826 1.00 0.00 N ATOM 481 CA LEU A 34 76.190 -7.732 6.116 1.00 0.00 C ATOM 482 C LEU A 34 76.124 -6.213 5.970 1.00 0.00 C ATOM 483 O LEU A 34 77.131 -5.534 5.935 1.00 0.00 O ATOM 484 CB LEU A 34 76.136 -8.419 4.752 1.00 0.00 C ATOM 485 CG LEU A 34 76.860 -9.764 4.830 1.00 0.00 C ATOM 486 CD1 LEU A 34 75.976 -10.781 5.554 1.00 0.00 C ATOM 487 CD2 LEU A 34 77.153 -10.266 3.415 1.00 0.00 C ATOM 0 H LEU A 34 74.344 -8.779 6.269 1.00 0.00 H new ATOM 0 HA LEU A 34 77.116 -7.965 6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 34 75.100 -8.569 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 34 76.601 -7.787 3.996 1.00 0.00 H new ATOM 0 HG LEU A 34 77.795 -9.640 5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.493 -11.739 5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 34 75.763 -10.425 6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 34 75.041 -10.904 5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 34 77.669 -11.225 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 34 76.216 -10.388 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 34 77.783 -9.544 2.896 1.00 0.00 H new ATOM 499 N LYS A 35 74.937 -5.675 5.901 1.00 0.00 N ATOM 500 CA LYS A 35 74.795 -4.199 5.777 1.00 0.00 C ATOM 501 C LYS A 35 75.188 -3.546 7.101 1.00 0.00 C ATOM 502 O LYS A 35 76.057 -2.698 7.159 1.00 0.00 O ATOM 503 CB LYS A 35 73.313 -3.957 5.477 1.00 0.00 C ATOM 504 CG LYS A 35 72.857 -4.879 4.343 1.00 0.00 C ATOM 505 CD LYS A 35 72.741 -4.079 3.047 1.00 0.00 C ATOM 506 CE LYS A 35 73.609 -4.733 1.972 1.00 0.00 C ATOM 507 NZ LYS A 35 74.538 -3.659 1.520 1.00 0.00 N ATOM 0 H LYS A 35 74.060 -6.195 5.925 1.00 0.00 H new ATOM 0 HA LYS A 35 75.431 -3.779 4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 35 72.717 -4.142 6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.154 -2.915 5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 35 73.568 -5.695 4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 35 71.896 -5.330 4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 35 71.702 -4.043 2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 35 73.059 -3.050 3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 35 74.157 -5.586 2.372 1.00 0.00 H new ATOM 0 HE3 LYS A 35 73.002 -5.103 1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 74.550 -3.625 0.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 74.217 -2.743 1.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 75.496 -3.859 1.871 1.00 0.00 H new ATOM 521 N VAL A 36 74.565 -3.956 8.173 1.00 0.00 N ATOM 522 CA VAL A 36 74.909 -3.385 9.505 1.00 0.00 C ATOM 523 C VAL A 36 76.374 -3.660 9.809 1.00 0.00 C ATOM 524 O VAL A 36 77.049 -2.859 10.411 1.00 0.00 O ATOM 525 CB VAL A 36 74.022 -4.129 10.491 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.075 -3.437 11.854 1.00 0.00 C ATOM 527 CG2 VAL A 36 72.580 -4.143 9.979 1.00 0.00 C ATOM 0 H VAL A 36 73.831 -4.664 8.183 1.00 0.00 H new ATOM 0 HA VAL A 36 74.757 -2.307 9.552 1.00 0.00 H new ATOM 0 HB VAL A 36 74.379 -5.154 10.592 1.00 0.00 H new ATOM 0 HG11 VAL A 36 73.439 -3.972 12.559 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.101 -3.435 12.221 1.00 0.00 H new ATOM 0 HG13 VAL A 36 73.723 -2.410 11.755 1.00 0.00 H new ATOM 0 HG21 VAL A 36 71.947 -4.677 10.688 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.222 -3.119 9.873 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.542 -4.643 9.011 1.00 0.00 H new ATOM 537 N ALA A 37 76.875 -4.786 9.388 1.00 0.00 N ATOM 538 CA ALA A 37 78.304 -5.090 9.647 1.00 0.00 C ATOM 539 C ALA A 37 79.157 -4.047 8.937 1.00 0.00 C ATOM 540 O ALA A 37 80.158 -3.595 9.448 1.00 0.00 O ATOM 541 CB ALA A 37 78.537 -6.482 9.058 1.00 0.00 C ATOM 0 H ALA A 37 76.359 -5.504 8.879 1.00 0.00 H new ATOM 0 HA ALA A 37 78.563 -5.069 10.706 1.00 0.00 H new ATOM 0 HB1 ALA A 37 79.576 -6.773 9.213 1.00 0.00 H new ATOM 0 HB2 ALA A 37 77.881 -7.200 9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.320 -6.466 7.990 1.00 0.00 H new ATOM 547 N ILE A 38 78.747 -3.649 7.767 1.00 0.00 N ATOM 548 CA ILE A 38 79.514 -2.617 7.020 1.00 0.00 C ATOM 549 C ILE A 38 79.248 -1.241 7.632 1.00 0.00 C ATOM 550 O ILE A 38 80.091 -0.364 7.602 1.00 0.00 O ATOM 551 CB ILE A 38 78.983 -2.682 5.588 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.357 -4.031 4.968 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.599 -1.554 4.762 1.00 0.00 C ATOM 554 CD1 ILE A 38 78.446 -4.315 3.773 1.00 0.00 C ATOM 0 H ILE A 38 77.912 -3.995 7.295 1.00 0.00 H new ATOM 0 HA ILE A 38 80.590 -2.786 7.056 1.00 0.00 H new ATOM 0 HB ILE A 38 77.899 -2.573 5.598 1.00 0.00 H new ATOM 0 HG12 ILE A 38 80.399 -4.020 4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.259 -4.824 5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.220 -1.601 3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.334 -0.593 5.203 1.00 0.00 H new ATOM 0 HG23 ILE A 38 80.684 -1.661 4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 38 78.713 -5.275 3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 38 77.408 -4.344 4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 38 78.567 -3.528 3.028 1.00 0.00 H new ATOM 566 N SER A 39 78.088 -1.046 8.203 1.00 0.00 N ATOM 567 CA SER A 39 77.792 0.277 8.825 1.00 0.00 C ATOM 568 C SER A 39 78.478 0.353 10.187 1.00 0.00 C ATOM 569 O SER A 39 78.872 1.408 10.650 1.00 0.00 O ATOM 570 CB SER A 39 76.272 0.313 8.983 1.00 0.00 C ATOM 571 OG SER A 39 75.932 1.183 10.055 1.00 0.00 O ATOM 0 H SER A 39 77.341 -1.737 8.265 1.00 0.00 H new ATOM 0 HA SER A 39 78.150 1.116 8.228 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.807 0.656 8.059 1.00 0.00 H new ATOM 0 HB3 SER A 39 75.891 -0.689 9.178 1.00 0.00 H new ATOM 0 HG SER A 39 74.958 1.210 10.158 1.00 0.00 H new ATOM 577 N GLU A 40 78.637 -0.772 10.820 1.00 0.00 N ATOM 578 CA GLU A 40 79.304 -0.804 12.144 1.00 0.00 C ATOM 579 C GLU A 40 80.816 -0.785 11.953 1.00 0.00 C ATOM 580 O GLU A 40 81.543 -0.163 12.703 1.00 0.00 O ATOM 581 CB GLU A 40 78.848 -2.116 12.764 1.00 0.00 C ATOM 582 CG GLU A 40 78.503 -1.898 14.237 1.00 0.00 C ATOM 583 CD GLU A 40 79.755 -2.103 15.093 1.00 0.00 C ATOM 584 OE1 GLU A 40 80.707 -2.675 14.587 1.00 0.00 O ATOM 585 OE2 GLU A 40 79.741 -1.686 16.238 1.00 0.00 O ATOM 0 H GLU A 40 78.329 -1.680 10.471 1.00 0.00 H new ATOM 0 HA GLU A 40 79.054 0.050 12.773 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.978 -2.499 12.230 1.00 0.00 H new ATOM 0 HB3 GLU A 40 79.634 -2.865 12.672 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.110 -0.892 14.384 1.00 0.00 H new ATOM 0 HG3 GLU A 40 77.722 -2.593 14.545 1.00 0.00 H new ATOM 592 N LEU A 41 81.292 -1.449 10.940 1.00 0.00 N ATOM 593 CA LEU A 41 82.757 -1.456 10.681 1.00 0.00 C ATOM 594 C LEU A 41 83.187 -0.071 10.212 1.00 0.00 C ATOM 595 O LEU A 41 84.295 0.360 10.451 1.00 0.00 O ATOM 596 CB LEU A 41 82.974 -2.494 9.579 1.00 0.00 C ATOM 597 CG LEU A 41 84.296 -3.224 9.817 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.488 -4.296 8.744 1.00 0.00 C ATOM 599 CD2 LEU A 41 85.451 -2.222 9.750 1.00 0.00 C ATOM 0 H LEU A 41 80.731 -1.987 10.280 1.00 0.00 H new ATOM 0 HA LEU A 41 83.340 -1.700 11.569 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.150 -3.207 9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 41 82.986 -2.007 8.604 1.00 0.00 H new ATOM 0 HG LEU A 41 84.279 -3.694 10.800 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.431 -4.816 8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 41 83.666 -5.010 8.792 1.00 0.00 H new ATOM 0 HD13 LEU A 41 84.505 -3.827 7.760 1.00 0.00 H new ATOM 0 HD21 LEU A 41 86.394 -2.742 9.920 1.00 0.00 H new ATOM 0 HD22 LEU A 41 85.468 -1.751 8.767 1.00 0.00 H new ATOM 0 HD23 LEU A 41 85.315 -1.458 10.516 1.00 0.00 H new ATOM 611 N PHE A 42 82.309 0.634 9.553 1.00 0.00 N ATOM 612 CA PHE A 42 82.652 1.996 9.080 1.00 0.00 C ATOM 613 C PHE A 42 82.283 3.014 10.156 1.00 0.00 C ATOM 614 O PHE A 42 82.728 4.141 10.141 1.00 0.00 O ATOM 615 CB PHE A 42 81.788 2.198 7.841 1.00 0.00 C ATOM 616 CG PHE A 42 82.477 1.610 6.633 1.00 0.00 C ATOM 617 CD1 PHE A 42 83.039 0.329 6.701 1.00 0.00 C ATOM 618 CD2 PHE A 42 82.551 2.345 5.444 1.00 0.00 C ATOM 619 CE1 PHE A 42 83.673 -0.217 5.580 1.00 0.00 C ATOM 620 CE2 PHE A 42 83.188 1.799 4.322 1.00 0.00 C ATOM 621 CZ PHE A 42 83.749 0.518 4.391 1.00 0.00 C ATOM 0 H PHE A 42 81.366 0.320 9.323 1.00 0.00 H new ATOM 0 HA PHE A 42 83.714 2.118 8.865 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.817 1.724 7.983 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.604 3.261 7.684 1.00 0.00 H new ATOM 0 HD1 PHE A 42 82.983 -0.237 7.619 1.00 0.00 H new ATOM 0 HD2 PHE A 42 82.117 3.333 5.392 1.00 0.00 H new ATOM 0 HE1 PHE A 42 84.104 -1.206 5.632 1.00 0.00 H new ATOM 0 HE2 PHE A 42 83.246 2.366 3.405 1.00 0.00 H new ATOM 0 HZ PHE A 42 84.241 0.097 3.527 1.00 0.00 H new ATOM 631 N ALA A 43 81.468 2.624 11.096 1.00 0.00 N ATOM 632 CA ALA A 43 81.078 3.574 12.176 1.00 0.00 C ATOM 633 C ALA A 43 82.063 3.468 13.337 1.00 0.00 C ATOM 634 O ALA A 43 82.302 4.419 14.055 1.00 0.00 O ATOM 635 CB ALA A 43 79.686 3.127 12.611 1.00 0.00 C ATOM 0 H ALA A 43 81.056 1.693 11.164 1.00 0.00 H new ATOM 0 HA ALA A 43 81.084 4.612 11.843 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.327 3.779 13.407 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.005 3.181 11.762 1.00 0.00 H new ATOM 0 HB3 ALA A 43 79.731 2.101 12.975 1.00 0.00 H new ATOM 641 N LYS A 44 82.647 2.316 13.518 1.00 0.00 N ATOM 642 CA LYS A 44 83.629 2.143 14.623 1.00 0.00 C ATOM 643 C LYS A 44 85.023 2.500 14.116 1.00 0.00 C ATOM 644 O LYS A 44 85.898 2.876 14.871 1.00 0.00 O ATOM 645 CB LYS A 44 83.549 0.664 15.001 1.00 0.00 C ATOM 646 CG LYS A 44 82.505 0.474 16.102 1.00 0.00 C ATOM 647 CD LYS A 44 82.657 -0.918 16.719 1.00 0.00 C ATOM 648 CE LYS A 44 81.730 -1.045 17.930 1.00 0.00 C ATOM 649 NZ LYS A 44 81.558 -2.510 18.131 1.00 0.00 N ATOM 0 H LYS A 44 82.486 1.486 12.947 1.00 0.00 H new ATOM 0 HA LYS A 44 83.420 2.783 15.480 1.00 0.00 H new ATOM 0 HB2 LYS A 44 83.284 0.068 14.127 1.00 0.00 H new ATOM 0 HB3 LYS A 44 84.522 0.312 15.343 1.00 0.00 H new ATOM 0 HG2 LYS A 44 82.628 1.238 16.869 1.00 0.00 H new ATOM 0 HG3 LYS A 44 81.503 0.593 15.691 1.00 0.00 H new ATOM 0 HD2 LYS A 44 82.415 -1.683 15.981 1.00 0.00 H new ATOM 0 HD3 LYS A 44 83.691 -1.082 17.021 1.00 0.00 H new ATOM 0 HE2 LYS A 44 82.165 -0.574 18.811 1.00 0.00 H new ATOM 0 HE3 LYS A 44 80.773 -0.557 17.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 81.301 -2.697 19.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 80.804 -2.860 17.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 82.449 -2.998 17.907 1.00 0.00 H new ATOM 663 N ASN A 45 85.228 2.394 12.834 1.00 0.00 N ATOM 664 CA ASN A 45 86.551 2.734 12.254 1.00 0.00 C ATOM 665 C ASN A 45 86.693 4.251 12.164 1.00 0.00 C ATOM 666 O ASN A 45 87.581 4.830 12.752 1.00 0.00 O ATOM 667 CB ASN A 45 86.525 2.120 10.857 1.00 0.00 C ATOM 668 CG ASN A 45 87.149 0.727 10.898 1.00 0.00 C ATOM 669 OD1 ASN A 45 86.658 -0.166 11.710 1.00 0.00 O flip ATOM 670 ND2 ASN A 45 88.092 0.448 10.185 1.00 0.00 N flip ATOM 0 H ASN A 45 84.529 2.084 12.160 1.00 0.00 H new ATOM 0 HA ASN A 45 87.385 2.363 12.850 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.499 2.059 10.495 1.00 0.00 H new ATOM 0 HB3 ASN A 45 87.072 2.754 10.160 1.00 0.00 H new ATOM 0 HD21 ASN A 45 88.476 1.148 9.550 1.00 0.00 H new ATOM 0 HD22 ASN A 45 88.500 -0.486 10.222 1.00 0.00 H new ATOM 677 N ASP A 46 85.792 4.877 11.435 1.00 0.00 N ATOM 678 CA ASP A 46 85.778 6.365 11.252 1.00 0.00 C ATOM 679 C ASP A 46 85.236 6.737 9.876 1.00 0.00 C ATOM 680 O ASP A 46 85.544 7.780 9.333 1.00 0.00 O ATOM 681 CB ASP A 46 87.209 6.854 11.359 1.00 0.00 C ATOM 682 CG ASP A 46 88.131 5.969 10.517 1.00 0.00 C ATOM 683 OD1 ASP A 46 87.680 5.481 9.494 1.00 0.00 O ATOM 684 OD2 ASP A 46 89.273 5.794 10.909 1.00 0.00 O ATOM 0 H ASP A 46 85.039 4.396 10.943 1.00 0.00 H new ATOM 0 HA ASP A 46 85.140 6.820 12.010 1.00 0.00 H new ATOM 0 HB2 ASP A 46 87.275 7.888 11.020 1.00 0.00 H new ATOM 0 HB3 ASP A 46 87.530 6.839 12.401 1.00 0.00 H new ATOM 689 N LEU A 47 84.438 5.897 9.312 1.00 0.00 N ATOM 690 CA LEU A 47 83.868 6.187 7.970 1.00 0.00 C ATOM 691 C LEU A 47 82.524 6.902 8.117 1.00 0.00 C ATOM 692 O LEU A 47 82.263 7.557 9.106 1.00 0.00 O ATOM 693 CB LEU A 47 83.686 4.816 7.316 1.00 0.00 C ATOM 694 CG LEU A 47 84.582 4.719 6.082 1.00 0.00 C ATOM 695 CD1 LEU A 47 84.288 5.892 5.145 1.00 0.00 C ATOM 696 CD2 LEU A 47 86.049 4.768 6.513 1.00 0.00 C ATOM 0 H LEU A 47 84.148 5.009 9.721 1.00 0.00 H new ATOM 0 HA LEU A 47 84.509 6.837 7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.937 4.027 8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.643 4.671 7.034 1.00 0.00 H new ATOM 0 HG LEU A 47 84.386 3.781 5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 47 84.927 5.823 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 47 83.243 5.859 4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 47 84.485 6.830 5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 47 86.689 4.699 5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 47 86.245 5.707 7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 47 86.260 3.933 7.182 1.00 0.00 H new ATOM 708 N ALA A 48 81.672 6.779 7.142 1.00 0.00 N ATOM 709 CA ALA A 48 80.344 7.450 7.226 1.00 0.00 C ATOM 710 C ALA A 48 79.363 6.807 6.246 1.00 0.00 C ATOM 711 O ALA A 48 78.886 7.436 5.323 1.00 0.00 O ATOM 712 CB ALA A 48 80.608 8.908 6.846 1.00 0.00 C ATOM 0 H ALA A 48 81.835 6.243 6.289 1.00 0.00 H new ATOM 0 HA ALA A 48 79.901 7.364 8.218 1.00 0.00 H new ATOM 0 HB1 ALA A 48 79.674 9.469 6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 48 81.322 9.343 7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 48 81.016 8.953 5.836 1.00 0.00 H new ATOM 718 N VAL A 49 79.057 5.557 6.446 1.00 0.00 N ATOM 719 CA VAL A 49 78.112 4.867 5.544 1.00 0.00 C ATOM 720 C VAL A 49 76.717 5.464 5.705 1.00 0.00 C ATOM 721 O VAL A 49 76.105 5.385 6.751 1.00 0.00 O ATOM 722 CB VAL A 49 78.134 3.412 5.996 1.00 0.00 C ATOM 723 CG1 VAL A 49 79.481 2.783 5.636 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.926 3.343 7.511 1.00 0.00 C ATOM 0 H VAL A 49 79.427 4.984 7.204 1.00 0.00 H new ATOM 0 HA VAL A 49 78.382 4.967 4.493 1.00 0.00 H new ATOM 0 HB VAL A 49 77.335 2.866 5.495 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.495 1.742 5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.627 2.829 4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.282 3.329 6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.942 2.302 7.833 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.724 3.891 8.013 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.964 3.787 7.767 1.00 0.00 H new ATOM 734 N VAL A 50 76.225 6.064 4.670 1.00 0.00 N ATOM 735 CA VAL A 50 74.870 6.689 4.729 1.00 0.00 C ATOM 736 C VAL A 50 73.807 5.672 4.311 1.00 0.00 C ATOM 737 O VAL A 50 72.739 5.605 4.886 1.00 0.00 O ATOM 738 CB VAL A 50 74.901 7.868 3.742 1.00 0.00 C ATOM 739 CG1 VAL A 50 74.001 8.990 4.261 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.327 8.405 3.594 1.00 0.00 C ATOM 0 H VAL A 50 76.702 6.154 3.773 1.00 0.00 H new ATOM 0 HA VAL A 50 74.625 7.024 5.737 1.00 0.00 H new ATOM 0 HB VAL A 50 74.547 7.519 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 50 74.022 9.826 3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.979 8.622 4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 50 74.359 9.322 5.235 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.331 9.239 2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.690 8.745 4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 50 76.977 7.614 3.221 1.00 0.00 H new ATOM 750 N ASP A 51 74.090 4.877 3.313 1.00 0.00 N ATOM 751 CA ASP A 51 73.085 3.866 2.869 1.00 0.00 C ATOM 752 C ASP A 51 73.773 2.550 2.501 1.00 0.00 C ATOM 753 O ASP A 51 74.942 2.517 2.170 1.00 0.00 O ATOM 754 CB ASP A 51 72.418 4.479 1.638 1.00 0.00 C ATOM 755 CG ASP A 51 70.903 4.530 1.851 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.485 5.060 2.866 1.00 0.00 O ATOM 757 OD2 ASP A 51 70.187 4.037 0.995 1.00 0.00 O ATOM 0 H ASP A 51 74.966 4.883 2.790 1.00 0.00 H new ATOM 0 HA ASP A 51 72.365 3.637 3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.805 5.483 1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 51 72.652 3.888 0.752 1.00 0.00 H new ATOM 762 N VAL A 52 73.052 1.465 2.556 1.00 0.00 N ATOM 763 CA VAL A 52 73.654 0.144 2.208 1.00 0.00 C ATOM 764 C VAL A 52 72.568 -0.809 1.696 1.00 0.00 C ATOM 765 O VAL A 52 71.823 -1.385 2.464 1.00 0.00 O ATOM 766 CB VAL A 52 74.250 -0.386 3.515 1.00 0.00 C ATOM 767 CG1 VAL A 52 75.223 -1.524 3.205 1.00 0.00 C ATOM 768 CG2 VAL A 52 75.001 0.738 4.233 1.00 0.00 C ATOM 0 H VAL A 52 72.069 1.434 2.827 1.00 0.00 H new ATOM 0 HA VAL A 52 74.406 0.230 1.424 1.00 0.00 H new ATOM 0 HB VAL A 52 73.447 -0.752 4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 52 75.648 -1.902 4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 52 74.692 -2.328 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 52 76.023 -1.154 2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.424 0.357 5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 52 75.803 1.106 3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 52 74.311 1.552 4.455 1.00 0.00 H new ATOM 778 N ARG A 53 72.471 -0.980 0.404 1.00 0.00 N ATOM 779 CA ARG A 53 71.430 -1.898 -0.147 1.00 0.00 C ATOM 780 C ARG A 53 72.048 -3.253 -0.492 1.00 0.00 C ATOM 781 O ARG A 53 73.252 -3.409 -0.527 1.00 0.00 O ATOM 782 CB ARG A 53 70.917 -1.209 -1.411 1.00 0.00 C ATOM 783 CG ARG A 53 69.414 -0.953 -1.279 1.00 0.00 C ATOM 784 CD ARG A 53 68.845 -0.548 -2.641 1.00 0.00 C ATOM 785 NE ARG A 53 69.310 -1.606 -3.583 1.00 0.00 N ATOM 786 CZ ARG A 53 69.319 -1.376 -4.867 1.00 0.00 C ATOM 787 NH1 ARG A 53 68.477 -0.523 -5.383 1.00 0.00 N ATOM 788 NH2 ARG A 53 70.167 -2.001 -5.636 1.00 0.00 N ATOM 0 H ARG A 53 73.064 -0.526 -0.291 1.00 0.00 H new ATOM 0 HA ARG A 53 70.629 -2.085 0.568 1.00 0.00 H new ATOM 0 HB2 ARG A 53 71.445 -0.268 -1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 53 71.115 -1.832 -2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 53 68.912 -1.849 -0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 53 69.231 -0.166 -0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 53 67.757 -0.494 -2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 53 69.205 0.435 -2.943 1.00 0.00 H new ATOM 0 HE ARG A 53 69.621 -2.509 -3.224 1.00 0.00 H new ATOM 0 HH11 ARG A 53 67.812 -0.036 -4.782 1.00 0.00 H new ATOM 0 HH12 ARG A 53 68.484 -0.343 -6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 53 70.823 -2.670 -5.233 1.00 0.00 H new ATOM 0 HH22 ARG A 53 70.174 -1.821 -6.640 1.00 0.00 H new ATOM 802 N THR A 54 71.231 -4.237 -0.745 1.00 0.00 N ATOM 803 CA THR A 54 71.759 -5.580 -1.083 1.00 0.00 C ATOM 804 C THR A 54 71.997 -5.698 -2.591 1.00 0.00 C ATOM 805 O THR A 54 71.593 -4.852 -3.363 1.00 0.00 O ATOM 806 CB THR A 54 70.662 -6.544 -0.638 1.00 0.00 C ATOM 807 OG1 THR A 54 69.599 -6.518 -1.579 1.00 0.00 O ATOM 808 CG2 THR A 54 70.136 -6.135 0.740 1.00 0.00 C ATOM 0 H THR A 54 70.214 -4.164 -0.731 1.00 0.00 H new ATOM 0 HA THR A 54 72.714 -5.785 -0.600 1.00 0.00 H new ATOM 0 HB THR A 54 71.073 -7.552 -0.579 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.895 -7.138 -1.295 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.354 -6.827 1.051 1.00 0.00 H new ATOM 0 HG22 THR A 54 70.951 -6.160 1.463 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.728 -5.126 0.689 1.00 0.00 H new ATOM 816 N GLY A 55 72.651 -6.745 -3.011 1.00 0.00 N ATOM 817 CA GLY A 55 72.918 -6.930 -4.465 1.00 0.00 C ATOM 818 C GLY A 55 72.470 -8.329 -4.888 1.00 0.00 C ATOM 819 O GLY A 55 73.006 -9.324 -4.441 1.00 0.00 O ATOM 0 H GLY A 55 73.013 -7.483 -2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.385 -6.175 -5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 55 73.980 -6.798 -4.671 1.00 0.00 H new ATOM 823 N THR A 56 71.488 -8.412 -5.743 1.00 0.00 N ATOM 824 CA THR A 56 71.002 -9.748 -6.193 1.00 0.00 C ATOM 825 C THR A 56 70.371 -10.501 -5.018 1.00 0.00 C ATOM 826 O THR A 56 69.832 -9.907 -4.105 1.00 0.00 O ATOM 827 CB THR A 56 72.252 -10.477 -6.691 1.00 0.00 C ATOM 828 OG1 THR A 56 73.156 -9.534 -7.249 1.00 0.00 O ATOM 829 CG2 THR A 56 71.857 -11.500 -7.757 1.00 0.00 C ATOM 0 H THR A 56 71.001 -7.613 -6.150 1.00 0.00 H new ATOM 0 HA THR A 56 70.240 -9.673 -6.969 1.00 0.00 H new ATOM 0 HB THR A 56 72.730 -10.991 -5.857 1.00 0.00 H new ATOM 0 HG1 THR A 56 74.070 -9.881 -7.186 1.00 0.00 H new ATOM 0 HG21 THR A 56 72.748 -12.019 -8.111 1.00 0.00 H new ATOM 0 HG22 THR A 56 71.163 -12.223 -7.328 1.00 0.00 H new ATOM 0 HG23 THR A 56 71.379 -10.989 -8.592 1.00 0.00 H new ATOM 837 N ASN A 57 70.430 -11.804 -5.035 1.00 0.00 N ATOM 838 CA ASN A 57 69.832 -12.592 -3.919 1.00 0.00 C ATOM 839 C ASN A 57 70.560 -12.292 -2.607 1.00 0.00 C ATOM 840 O ASN A 57 69.957 -11.906 -1.625 1.00 0.00 O ATOM 841 CB ASN A 57 70.028 -14.054 -4.319 1.00 0.00 C ATOM 842 CG ASN A 57 68.934 -14.465 -5.306 1.00 0.00 C ATOM 843 OD1 ASN A 57 67.974 -13.746 -5.502 1.00 0.00 O ATOM 844 ND2 ASN A 57 69.038 -15.600 -5.944 1.00 0.00 N ATOM 0 H ASN A 57 70.866 -12.357 -5.773 1.00 0.00 H new ATOM 0 HA ASN A 57 68.781 -12.349 -3.759 1.00 0.00 H new ATOM 0 HB2 ASN A 57 71.010 -14.190 -4.772 1.00 0.00 H new ATOM 0 HB3 ASN A 57 69.993 -14.691 -3.435 1.00 0.00 H new ATOM 0 HD21 ASN A 57 68.314 -15.881 -6.605 1.00 0.00 H new ATOM 0 HD22 ASN A 57 69.843 -16.205 -5.781 1.00 0.00 H new ATOM 851 N ARG A 58 71.853 -12.466 -2.581 1.00 0.00 N ATOM 852 CA ARG A 58 72.619 -12.192 -1.330 1.00 0.00 C ATOM 853 C ARG A 58 74.117 -12.382 -1.574 1.00 0.00 C ATOM 854 O ARG A 58 74.796 -13.059 -0.828 1.00 0.00 O ATOM 855 CB ARG A 58 72.107 -13.220 -0.322 1.00 0.00 C ATOM 856 CG ARG A 58 72.041 -14.598 -0.986 1.00 0.00 C ATOM 857 CD ARG A 58 71.396 -15.598 -0.023 1.00 0.00 C ATOM 858 NE ARG A 58 71.996 -16.914 -0.380 1.00 0.00 N ATOM 859 CZ ARG A 58 71.819 -17.409 -1.574 1.00 0.00 C ATOM 860 NH1 ARG A 58 70.646 -17.859 -1.927 1.00 0.00 N ATOM 861 NH2 ARG A 58 72.815 -17.455 -2.416 1.00 0.00 N ATOM 0 H ARG A 58 72.413 -12.786 -3.371 1.00 0.00 H new ATOM 0 HA ARG A 58 72.482 -11.170 -0.977 1.00 0.00 H new ATOM 0 HB2 ARG A 58 72.766 -13.254 0.545 1.00 0.00 H new ATOM 0 HB3 ARG A 58 71.120 -12.931 0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 58 71.464 -14.542 -1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 58 73.043 -14.932 -1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 58 71.604 -15.337 1.015 1.00 0.00 H new ATOM 0 HD3 ARG A 58 70.312 -15.614 -0.137 1.00 0.00 H new ATOM 0 HE ARG A 58 72.545 -17.428 0.309 1.00 0.00 H new ATOM 0 HH11 ARG A 58 69.867 -17.824 -1.269 1.00 0.00 H new ATOM 0 HH12 ARG A 58 70.508 -18.246 -2.861 1.00 0.00 H new ATOM 0 HH21 ARG A 58 73.732 -17.104 -2.141 1.00 0.00 H new ATOM 0 HH22 ARG A 58 72.676 -17.842 -3.349 1.00 0.00 H new ATOM 875 N LYS A 59 74.638 -11.791 -2.613 1.00 0.00 N ATOM 876 CA LYS A 59 76.093 -11.941 -2.901 1.00 0.00 C ATOM 877 C LYS A 59 76.763 -10.566 -2.982 1.00 0.00 C ATOM 878 O LYS A 59 77.952 -10.433 -2.777 1.00 0.00 O ATOM 879 CB LYS A 59 76.158 -12.651 -4.253 1.00 0.00 C ATOM 880 CG LYS A 59 75.956 -14.154 -4.049 1.00 0.00 C ATOM 881 CD LYS A 59 74.945 -14.676 -5.071 1.00 0.00 C ATOM 882 CE LYS A 59 75.641 -14.890 -6.416 1.00 0.00 C ATOM 883 NZ LYS A 59 74.599 -15.483 -7.298 1.00 0.00 N ATOM 0 H LYS A 59 74.121 -11.212 -3.274 1.00 0.00 H new ATOM 0 HA LYS A 59 76.612 -12.500 -2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 59 75.391 -12.257 -4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.121 -12.464 -4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 59 76.905 -14.678 -4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 59 75.601 -14.350 -3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 59 74.510 -15.612 -4.722 1.00 0.00 H new ATOM 0 HD3 LYS A 59 74.126 -13.966 -5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 59 76.013 -13.949 -6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 59 76.498 -15.555 -6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 75.001 -15.659 -8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 74.268 -16.381 -6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 73.798 -14.824 -7.381 1.00 0.00 H new ATOM 897 N PHE A 60 76.008 -9.544 -3.277 1.00 0.00 N ATOM 898 CA PHE A 60 76.608 -8.178 -3.367 1.00 0.00 C ATOM 899 C PHE A 60 75.748 -7.184 -2.586 1.00 0.00 C ATOM 900 O PHE A 60 74.726 -7.537 -2.031 1.00 0.00 O ATOM 901 CB PHE A 60 76.621 -7.811 -4.860 1.00 0.00 C ATOM 902 CG PHE A 60 76.752 -9.053 -5.712 1.00 0.00 C ATOM 903 CD1 PHE A 60 75.608 -9.768 -6.083 1.00 0.00 C ATOM 904 CD2 PHE A 60 78.015 -9.487 -6.131 1.00 0.00 C ATOM 905 CE1 PHE A 60 75.725 -10.916 -6.873 1.00 0.00 C ATOM 906 CE2 PHE A 60 78.133 -10.635 -6.921 1.00 0.00 C ATOM 907 CZ PHE A 60 76.988 -11.351 -7.293 1.00 0.00 C ATOM 0 H PHE A 60 75.006 -9.592 -3.459 1.00 0.00 H new ATOM 0 HA PHE A 60 77.613 -8.152 -2.946 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.704 -7.282 -5.118 1.00 0.00 H new ATOM 0 HB3 PHE A 60 77.449 -7.133 -5.066 1.00 0.00 H new ATOM 0 HD1 PHE A 60 74.634 -9.433 -5.759 1.00 0.00 H new ATOM 0 HD2 PHE A 60 78.898 -8.935 -5.844 1.00 0.00 H new ATOM 0 HE1 PHE A 60 74.841 -11.467 -7.159 1.00 0.00 H new ATOM 0 HE2 PHE A 60 79.108 -10.970 -7.244 1.00 0.00 H new ATOM 0 HZ PHE A 60 77.079 -12.238 -7.903 1.00 0.00 H new ATOM 917 N GLY A 61 76.150 -5.945 -2.535 1.00 0.00 N ATOM 918 CA GLY A 61 75.350 -4.935 -1.787 1.00 0.00 C ATOM 919 C GLY A 61 75.795 -3.526 -2.181 1.00 0.00 C ATOM 920 O GLY A 61 76.961 -3.271 -2.395 1.00 0.00 O ATOM 0 H GLY A 61 76.997 -5.588 -2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.290 -5.065 -2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.477 -5.079 -0.714 1.00 0.00 H new ATOM 924 N TYR A 62 74.874 -2.605 -2.270 1.00 0.00 N ATOM 925 CA TYR A 62 75.243 -1.207 -2.641 1.00 0.00 C ATOM 926 C TYR A 62 75.385 -0.363 -1.386 1.00 0.00 C ATOM 927 O TYR A 62 74.864 -0.695 -0.341 1.00 0.00 O ATOM 928 CB TYR A 62 74.091 -0.704 -3.513 1.00 0.00 C ATOM 929 CG TYR A 62 74.539 0.501 -4.303 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.626 1.753 -3.681 1.00 0.00 C ATOM 931 CD2 TYR A 62 74.866 0.368 -5.658 1.00 0.00 C ATOM 932 CE1 TYR A 62 75.039 2.871 -4.416 1.00 0.00 C ATOM 933 CE2 TYR A 62 75.279 1.487 -6.392 1.00 0.00 C ATOM 934 CZ TYR A 62 75.366 2.738 -5.770 1.00 0.00 C ATOM 935 OH TYR A 62 75.772 3.841 -6.493 1.00 0.00 O ATOM 0 H TYR A 62 73.880 -2.760 -2.102 1.00 0.00 H new ATOM 0 HA TYR A 62 76.194 -1.152 -3.170 1.00 0.00 H new ATOM 0 HB2 TYR A 62 73.763 -1.493 -4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.236 -0.444 -2.889 1.00 0.00 H new ATOM 0 HD1 TYR A 62 74.375 1.856 -2.636 1.00 0.00 H new ATOM 0 HD2 TYR A 62 74.800 -0.598 -6.137 1.00 0.00 H new ATOM 0 HE1 TYR A 62 75.105 3.837 -3.937 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.530 1.385 -7.437 1.00 0.00 H new ATOM 0 HH TYR A 62 75.962 3.575 -7.417 1.00 0.00 H new ATOM 945 N VAL A 63 76.110 0.715 -1.469 1.00 0.00 N ATOM 946 CA VAL A 63 76.305 1.557 -0.264 1.00 0.00 C ATOM 947 C VAL A 63 76.537 3.020 -0.650 1.00 0.00 C ATOM 948 O VAL A 63 77.227 3.323 -1.603 1.00 0.00 O ATOM 949 CB VAL A 63 77.555 0.986 0.408 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.611 1.460 1.851 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.518 -0.546 0.390 1.00 0.00 C ATOM 0 H VAL A 63 76.573 1.047 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 63 75.432 1.542 0.388 1.00 0.00 H new ATOM 0 HB VAL A 63 78.434 1.330 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.501 1.055 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.649 2.549 1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.723 1.117 2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.414 -0.937 0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.636 -0.895 0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 63 77.478 -0.897 -0.641 1.00 0.00 H new ATOM 961 N ASP A 64 75.976 3.927 0.100 1.00 0.00 N ATOM 962 CA ASP A 64 76.170 5.373 -0.193 1.00 0.00 C ATOM 963 C ASP A 64 77.085 5.979 0.870 1.00 0.00 C ATOM 964 O ASP A 64 76.998 5.641 2.036 1.00 0.00 O ATOM 965 CB ASP A 64 74.774 5.988 -0.121 1.00 0.00 C ATOM 966 CG ASP A 64 73.782 5.102 -0.879 1.00 0.00 C ATOM 967 OD1 ASP A 64 74.227 4.191 -1.558 1.00 0.00 O ATOM 968 OD2 ASP A 64 72.593 5.352 -0.770 1.00 0.00 O ATOM 0 H ASP A 64 75.388 3.726 0.909 1.00 0.00 H new ATOM 0 HA ASP A 64 76.631 5.551 -1.165 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.464 6.091 0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 64 74.784 6.990 -0.551 1.00 0.00 H new ATOM 973 N PHE A 65 77.970 6.857 0.483 1.00 0.00 N ATOM 974 CA PHE A 65 78.897 7.460 1.469 1.00 0.00 C ATOM 975 C PHE A 65 78.464 8.886 1.806 1.00 0.00 C ATOM 976 O PHE A 65 77.483 9.384 1.292 1.00 0.00 O ATOM 977 CB PHE A 65 80.248 7.438 0.769 1.00 0.00 C ATOM 978 CG PHE A 65 80.855 6.067 0.926 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.868 5.454 2.184 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.394 5.405 -0.182 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.421 4.179 2.335 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.947 4.129 -0.032 1.00 0.00 C ATOM 983 CZ PHE A 65 81.960 3.515 1.227 1.00 0.00 C ATOM 0 H PHE A 65 78.087 7.180 -0.477 1.00 0.00 H new ATOM 0 HA PHE A 65 78.919 6.923 2.418 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.130 7.679 -0.287 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.907 8.194 1.197 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.451 5.966 3.038 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.383 5.879 -1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 65 81.432 3.707 3.306 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.364 3.617 -0.887 1.00 0.00 H new ATOM 0 HZ PHE A 65 82.386 2.529 1.343 1.00 0.00 H new ATOM 993 N GLU A 66 79.168 9.533 2.688 1.00 0.00 N ATOM 994 CA GLU A 66 78.767 10.913 3.077 1.00 0.00 C ATOM 995 C GLU A 66 79.726 11.959 2.521 1.00 0.00 C ATOM 996 O GLU A 66 79.467 13.144 2.586 1.00 0.00 O ATOM 997 CB GLU A 66 78.787 10.918 4.606 1.00 0.00 C ATOM 998 CG GLU A 66 77.357 11.050 5.136 1.00 0.00 C ATOM 999 CD GLU A 66 77.321 12.089 6.257 1.00 0.00 C ATOM 1000 OE1 GLU A 66 78.269 12.849 6.365 1.00 0.00 O ATOM 1001 OE2 GLU A 66 76.344 12.108 6.989 1.00 0.00 O ATOM 0 H GLU A 66 79.999 9.170 3.155 1.00 0.00 H new ATOM 0 HA GLU A 66 77.787 11.168 2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 66 79.240 9.999 4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 66 79.398 11.744 4.969 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.685 11.346 4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 66 77.005 10.087 5.507 1.00 0.00 H new ATOM 1008 N SER A 67 80.824 11.544 1.977 1.00 0.00 N ATOM 1009 CA SER A 67 81.782 12.556 1.422 1.00 0.00 C ATOM 1010 C SER A 67 82.879 11.933 0.565 1.00 0.00 C ATOM 1011 O SER A 67 82.934 10.745 0.330 1.00 0.00 O ATOM 1012 CB SER A 67 82.404 13.232 2.641 1.00 0.00 C ATOM 1013 OG SER A 67 82.860 12.241 3.549 1.00 0.00 O ATOM 0 H SER A 67 81.108 10.568 1.887 1.00 0.00 H new ATOM 0 HA SER A 67 81.254 13.248 0.766 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.234 13.868 2.334 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.671 13.876 3.127 1.00 0.00 H new ATOM 0 HG SER A 67 82.153 12.041 4.197 1.00 0.00 H new ATOM 1019 N ALA A 68 83.774 12.760 0.118 1.00 0.00 N ATOM 1020 CA ALA A 68 84.910 12.277 -0.700 1.00 0.00 C ATOM 1021 C ALA A 68 85.987 11.785 0.241 1.00 0.00 C ATOM 1022 O ALA A 68 86.879 11.045 -0.124 1.00 0.00 O ATOM 1023 CB ALA A 68 85.398 13.512 -1.444 1.00 0.00 C ATOM 0 H ALA A 68 83.766 13.766 0.288 1.00 0.00 H new ATOM 0 HA ALA A 68 84.646 11.469 -1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.243 13.245 -2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.592 13.907 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.709 14.270 -0.726 1.00 0.00 H new ATOM 1029 N GLU A 69 85.897 12.209 1.464 1.00 0.00 N ATOM 1030 CA GLU A 69 86.893 11.797 2.473 1.00 0.00 C ATOM 1031 C GLU A 69 86.444 10.485 3.110 1.00 0.00 C ATOM 1032 O GLU A 69 87.248 9.675 3.540 1.00 0.00 O ATOM 1033 CB GLU A 69 86.882 12.944 3.476 1.00 0.00 C ATOM 1034 CG GLU A 69 88.317 13.306 3.849 1.00 0.00 C ATOM 1035 CD GLU A 69 88.555 13.005 5.331 1.00 0.00 C ATOM 1036 OE1 GLU A 69 87.653 13.246 6.116 1.00 0.00 O ATOM 1037 OE2 GLU A 69 89.635 12.540 5.654 1.00 0.00 O ATOM 0 H GLU A 69 85.166 12.831 1.809 1.00 0.00 H new ATOM 0 HA GLU A 69 87.891 11.621 2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.376 13.810 3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.324 12.657 4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 69 89.017 12.739 3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.500 14.362 3.648 1.00 0.00 H new ATOM 1044 N ASP A 70 85.161 10.246 3.128 1.00 0.00 N ATOM 1045 CA ASP A 70 84.655 8.972 3.689 1.00 0.00 C ATOM 1046 C ASP A 70 84.779 7.927 2.589 1.00 0.00 C ATOM 1047 O ASP A 70 84.987 6.756 2.833 1.00 0.00 O ATOM 1048 CB ASP A 70 83.189 9.256 4.071 1.00 0.00 C ATOM 1049 CG ASP A 70 82.244 8.800 2.969 1.00 0.00 C ATOM 1050 OD1 ASP A 70 82.103 9.530 2.013 1.00 0.00 O ATOM 1051 OD2 ASP A 70 81.679 7.728 3.102 1.00 0.00 O ATOM 0 H ASP A 70 84.445 10.882 2.777 1.00 0.00 H new ATOM 0 HA ASP A 70 85.195 8.606 4.562 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.945 8.742 5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 70 83.056 10.323 4.252 1.00 0.00 H new ATOM 1056 N LEU A 71 84.678 8.370 1.364 1.00 0.00 N ATOM 1057 CA LEU A 71 84.814 7.441 0.223 1.00 0.00 C ATOM 1058 C LEU A 71 86.281 7.033 0.087 1.00 0.00 C ATOM 1059 O LEU A 71 86.600 5.899 -0.211 1.00 0.00 O ATOM 1060 CB LEU A 71 84.358 8.237 -1.001 1.00 0.00 C ATOM 1061 CG LEU A 71 84.821 7.527 -2.273 1.00 0.00 C ATOM 1062 CD1 LEU A 71 83.908 7.916 -3.436 1.00 0.00 C ATOM 1063 CD2 LEU A 71 86.258 7.944 -2.594 1.00 0.00 C ATOM 0 H LEU A 71 84.506 9.343 1.111 1.00 0.00 H new ATOM 0 HA LEU A 71 84.227 6.531 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 71 83.272 8.334 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.768 9.246 -0.965 1.00 0.00 H new ATOM 0 HG LEU A 71 84.779 6.448 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 71 84.238 7.410 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 71 82.883 7.621 -3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 71 83.950 8.995 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 71 86.590 7.438 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 71 86.299 9.023 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 71 86.911 7.668 -1.766 1.00 0.00 H new ATOM 1075 N GLU A 72 87.176 7.956 0.324 1.00 0.00 N ATOM 1076 CA GLU A 72 88.627 7.633 0.230 1.00 0.00 C ATOM 1077 C GLU A 72 89.003 6.664 1.350 1.00 0.00 C ATOM 1078 O GLU A 72 89.732 5.708 1.146 1.00 0.00 O ATOM 1079 CB GLU A 72 89.346 8.971 0.410 1.00 0.00 C ATOM 1080 CG GLU A 72 90.823 8.811 0.048 1.00 0.00 C ATOM 1081 CD GLU A 72 91.181 9.784 -1.075 1.00 0.00 C ATOM 1082 OE1 GLU A 72 90.835 9.501 -2.211 1.00 0.00 O ATOM 1083 OE2 GLU A 72 91.795 10.798 -0.783 1.00 0.00 O ATOM 0 H GLU A 72 86.963 8.920 0.579 1.00 0.00 H new ATOM 0 HA GLU A 72 88.894 7.160 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.886 9.731 -0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.248 9.312 1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 72 91.445 9.003 0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 72 91.022 7.787 -0.267 1.00 0.00 H new ATOM 1090 N LYS A 73 88.480 6.876 2.530 1.00 0.00 N ATOM 1091 CA LYS A 73 88.782 5.945 3.638 1.00 0.00 C ATOM 1092 C LYS A 73 87.968 4.692 3.396 1.00 0.00 C ATOM 1093 O LYS A 73 88.335 3.599 3.779 1.00 0.00 O ATOM 1094 CB LYS A 73 88.328 6.661 4.910 1.00 0.00 C ATOM 1095 CG LYS A 73 89.467 7.534 5.440 1.00 0.00 C ATOM 1096 CD LYS A 73 88.897 8.621 6.352 1.00 0.00 C ATOM 1097 CE LYS A 73 90.019 9.572 6.776 1.00 0.00 C ATOM 1098 NZ LYS A 73 90.155 9.377 8.246 1.00 0.00 N ATOM 0 H LYS A 73 87.861 7.652 2.766 1.00 0.00 H new ATOM 0 HA LYS A 73 89.834 5.671 3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 73 87.452 7.275 4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 73 88.033 5.932 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 73 90.182 6.922 5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 73 90.008 7.988 4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 73 88.115 9.174 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 73 88.437 8.169 7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 73 90.950 9.339 6.259 1.00 0.00 H new ATOM 0 HE3 LYS A 73 89.771 10.606 6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 90.907 9.997 8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 89.256 9.613 8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 90.398 8.385 8.444 1.00 0.00 H new ATOM 1112 N ALA A 74 86.863 4.852 2.724 1.00 0.00 N ATOM 1113 CA ALA A 74 86.019 3.683 2.416 1.00 0.00 C ATOM 1114 C ALA A 74 86.715 2.841 1.349 1.00 0.00 C ATOM 1115 O ALA A 74 86.555 1.639 1.283 1.00 0.00 O ATOM 1116 CB ALA A 74 84.707 4.254 1.890 1.00 0.00 C ATOM 0 H ALA A 74 86.514 5.746 2.378 1.00 0.00 H new ATOM 0 HA ALA A 74 85.845 3.044 3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 74 84.029 3.438 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 74 84.251 4.883 2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.901 4.850 0.998 1.00 0.00 H new ATOM 1122 N LEU A 75 87.512 3.473 0.525 1.00 0.00 N ATOM 1123 CA LEU A 75 88.248 2.726 -0.520 1.00 0.00 C ATOM 1124 C LEU A 75 89.304 1.875 0.166 1.00 0.00 C ATOM 1125 O LEU A 75 89.449 0.698 -0.105 1.00 0.00 O ATOM 1126 CB LEU A 75 88.895 3.805 -1.386 1.00 0.00 C ATOM 1127 CG LEU A 75 89.253 3.225 -2.751 1.00 0.00 C ATOM 1128 CD1 LEU A 75 90.378 2.199 -2.592 1.00 0.00 C ATOM 1129 CD2 LEU A 75 88.023 2.546 -3.358 1.00 0.00 C ATOM 0 H LEU A 75 87.680 4.479 0.537 1.00 0.00 H new ATOM 0 HA LEU A 75 87.619 2.067 -1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.212 4.646 -1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.791 4.188 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 75 89.585 4.028 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 75 90.633 1.785 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 75 91.255 2.684 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 75 90.048 1.396 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 75 88.280 2.132 -4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 75 87.688 1.744 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.223 3.278 -3.474 1.00 0.00 H new ATOM 1141 N GLU A 76 90.026 2.458 1.083 1.00 0.00 N ATOM 1142 CA GLU A 76 91.050 1.677 1.817 1.00 0.00 C ATOM 1143 C GLU A 76 90.347 0.714 2.776 1.00 0.00 C ATOM 1144 O GLU A 76 90.941 -0.204 3.305 1.00 0.00 O ATOM 1145 CB GLU A 76 91.862 2.708 2.595 1.00 0.00 C ATOM 1146 CG GLU A 76 93.287 2.765 2.040 1.00 0.00 C ATOM 1147 CD GLU A 76 93.897 4.136 2.340 1.00 0.00 C ATOM 1148 OE1 GLU A 76 93.416 4.790 3.251 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.834 4.508 1.653 1.00 0.00 O ATOM 0 H GLU A 76 89.949 3.439 1.352 1.00 0.00 H new ATOM 0 HA GLU A 76 91.686 1.087 1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 76 91.392 3.688 2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.883 2.446 3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.895 1.979 2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.277 2.587 0.965 1.00 0.00 H new ATOM 1156 N LEU A 77 89.074 0.924 2.994 1.00 0.00 N ATOM 1157 CA LEU A 77 88.306 0.034 3.910 1.00 0.00 C ATOM 1158 C LEU A 77 88.059 -1.326 3.250 1.00 0.00 C ATOM 1159 O LEU A 77 87.407 -2.185 3.810 1.00 0.00 O ATOM 1160 CB LEU A 77 86.979 0.762 4.137 1.00 0.00 C ATOM 1161 CG LEU A 77 86.932 1.323 5.558 1.00 0.00 C ATOM 1162 CD1 LEU A 77 86.787 0.174 6.557 1.00 0.00 C ATOM 1163 CD2 LEU A 77 88.223 2.093 5.850 1.00 0.00 C ATOM 0 H LEU A 77 88.532 1.679 2.573 1.00 0.00 H new ATOM 0 HA LEU A 77 88.839 -0.158 4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.869 1.570 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 77 86.146 0.077 3.979 1.00 0.00 H new ATOM 0 HG LEU A 77 86.080 1.996 5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 77 86.754 0.575 7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 77 85.866 -0.372 6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 77 87.638 -0.501 6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 77 88.187 2.492 6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 77 89.077 1.422 5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 77 88.325 2.914 5.140 1.00 0.00 H new ATOM 1175 N THR A 78 88.571 -1.533 2.064 1.00 0.00 N ATOM 1176 CA THR A 78 88.356 -2.841 1.383 1.00 0.00 C ATOM 1177 C THR A 78 89.233 -3.922 2.008 1.00 0.00 C ATOM 1178 O THR A 78 89.239 -5.060 1.580 1.00 0.00 O ATOM 1179 CB THR A 78 88.740 -2.605 -0.078 1.00 0.00 C ATOM 1180 OG1 THR A 78 87.889 -1.613 -0.635 1.00 0.00 O ATOM 1181 CG2 THR A 78 88.592 -3.908 -0.863 1.00 0.00 C ATOM 0 H THR A 78 89.126 -0.855 1.541 1.00 0.00 H new ATOM 0 HA THR A 78 87.326 -3.185 1.477 1.00 0.00 H new ATOM 0 HB THR A 78 89.775 -2.268 -0.133 1.00 0.00 H new ATOM 0 HG1 THR A 78 88.293 -0.729 -0.511 1.00 0.00 H new ATOM 0 HG21 THR A 78 88.866 -3.739 -1.904 1.00 0.00 H new ATOM 0 HG22 THR A 78 89.246 -4.667 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 78 87.558 -4.249 -0.811 1.00 0.00 H new ATOM 1189 N GLY A 79 89.959 -3.577 3.024 1.00 0.00 N ATOM 1190 CA GLY A 79 90.829 -4.582 3.698 1.00 0.00 C ATOM 1191 C GLY A 79 90.018 -5.291 4.784 1.00 0.00 C ATOM 1192 O GLY A 79 90.553 -5.993 5.619 1.00 0.00 O ATOM 0 H GLY A 79 89.992 -2.639 3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.201 -5.306 2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.699 -4.094 4.136 1.00 0.00 H new ATOM 1196 N LEU A 80 88.724 -5.105 4.781 1.00 0.00 N ATOM 1197 CA LEU A 80 87.862 -5.750 5.802 1.00 0.00 C ATOM 1198 C LEU A 80 87.398 -7.123 5.323 1.00 0.00 C ATOM 1199 O LEU A 80 87.926 -7.680 4.382 1.00 0.00 O ATOM 1200 CB LEU A 80 86.677 -4.801 5.931 1.00 0.00 C ATOM 1201 CG LEU A 80 87.157 -3.450 6.464 1.00 0.00 C ATOM 1202 CD1 LEU A 80 85.958 -2.523 6.662 1.00 0.00 C ATOM 1203 CD2 LEU A 80 87.870 -3.656 7.802 1.00 0.00 C ATOM 0 H LEU A 80 88.227 -4.526 4.105 1.00 0.00 H new ATOM 0 HA LEU A 80 88.378 -5.913 6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 80 86.195 -4.671 4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 80 85.931 -5.224 6.603 1.00 0.00 H new ATOM 0 HG LEU A 80 87.847 -3.001 5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 80 86.301 -1.561 7.042 1.00 0.00 H new ATOM 0 HD12 LEU A 80 85.450 -2.377 5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 80 85.267 -2.970 7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 80 88.213 -2.694 8.183 1.00 0.00 H new ATOM 0 HD22 LEU A 80 87.180 -4.105 8.517 1.00 0.00 H new ATOM 0 HD23 LEU A 80 88.726 -4.316 7.660 1.00 0.00 H new ATOM 1215 N LYS A 81 86.411 -7.667 5.974 1.00 0.00 N ATOM 1216 CA LYS A 81 85.888 -9.005 5.574 1.00 0.00 C ATOM 1217 C LYS A 81 84.595 -9.290 6.303 1.00 0.00 C ATOM 1218 O LYS A 81 84.401 -10.346 6.868 1.00 0.00 O ATOM 1219 CB LYS A 81 86.945 -9.989 5.994 1.00 0.00 C ATOM 1220 CG LYS A 81 87.471 -10.742 4.771 1.00 0.00 C ATOM 1221 CD LYS A 81 88.617 -11.664 5.192 1.00 0.00 C ATOM 1222 CE LYS A 81 89.949 -10.932 5.026 1.00 0.00 C ATOM 1223 NZ LYS A 81 90.794 -11.409 6.156 1.00 0.00 N ATOM 0 H LYS A 81 85.939 -7.241 6.772 1.00 0.00 H new ATOM 0 HA LYS A 81 85.682 -9.061 4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.763 -9.467 6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.532 -10.694 6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 81 86.669 -11.325 4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 81 87.817 -10.035 4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 81 88.487 -11.973 6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 81 88.610 -12.570 4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 81 90.409 -11.162 4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 81 89.813 -9.851 5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 91.726 -10.950 6.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 90.335 -11.170 7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 90.912 -12.440 6.090 1.00 0.00 H new ATOM 1237 N VAL A 82 83.735 -8.329 6.253 1.00 0.00 N ATOM 1238 CA VAL A 82 82.378 -8.405 6.907 1.00 0.00 C ATOM 1239 C VAL A 82 82.228 -9.673 7.749 1.00 0.00 C ATOM 1240 O VAL A 82 83.014 -9.936 8.638 1.00 0.00 O ATOM 1241 CB VAL A 82 81.390 -8.396 5.739 1.00 0.00 C ATOM 1242 CG1 VAL A 82 79.988 -8.070 6.257 1.00 0.00 C ATOM 1243 CG2 VAL A 82 81.810 -7.334 4.723 1.00 0.00 C ATOM 0 H VAL A 82 83.909 -7.448 5.768 1.00 0.00 H new ATOM 0 HA VAL A 82 82.211 -7.579 7.598 1.00 0.00 H new ATOM 0 HB VAL A 82 81.386 -9.377 5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 82 79.285 -8.064 5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 82 79.684 -8.824 6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 82 79.995 -7.090 6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 82 81.106 -7.328 3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 82 81.815 -6.355 5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 82 82.809 -7.561 4.351 1.00 0.00 H new ATOM 1253 N PHE A 83 81.240 -10.469 7.473 1.00 0.00 N ATOM 1254 CA PHE A 83 81.071 -11.728 8.247 1.00 0.00 C ATOM 1255 C PHE A 83 82.151 -12.728 7.822 1.00 0.00 C ATOM 1256 O PHE A 83 82.256 -13.814 8.355 1.00 0.00 O ATOM 1257 CB PHE A 83 79.678 -12.243 7.879 1.00 0.00 C ATOM 1258 CG PHE A 83 78.651 -11.629 8.802 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.176 -10.335 8.560 1.00 0.00 C ATOM 1260 CD2 PHE A 83 78.173 -12.356 9.898 1.00 0.00 C ATOM 1261 CE1 PHE A 83 77.223 -9.767 9.415 1.00 0.00 C ATOM 1262 CE2 PHE A 83 77.220 -11.789 10.754 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.745 -10.494 10.512 1.00 0.00 C ATOM 0 H PHE A 83 80.542 -10.305 6.747 1.00 0.00 H new ATOM 0 HA PHE A 83 81.166 -11.580 9.323 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.448 -11.991 6.844 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.649 -13.330 7.957 1.00 0.00 H new ATOM 0 HD1 PHE A 83 78.544 -9.774 7.714 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.539 -13.355 10.084 1.00 0.00 H new ATOM 0 HE1 PHE A 83 76.857 -8.768 9.228 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.852 -12.350 11.600 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.010 -10.056 11.171 1.00 0.00 H new ATOM 1273 N GLY A 84 82.954 -12.358 6.859 1.00 0.00 N ATOM 1274 CA GLY A 84 84.032 -13.263 6.381 1.00 0.00 C ATOM 1275 C GLY A 84 84.246 -13.043 4.881 1.00 0.00 C ATOM 1276 O GLY A 84 84.534 -13.965 4.146 1.00 0.00 O ATOM 0 H GLY A 84 82.906 -11.458 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 84 84.956 -13.067 6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 84 83.763 -14.302 6.574 1.00 0.00 H new ATOM 1280 N ASN A 85 84.107 -11.826 4.418 1.00 0.00 N ATOM 1281 CA ASN A 85 84.304 -11.558 2.964 1.00 0.00 C ATOM 1282 C ASN A 85 84.629 -10.080 2.750 1.00 0.00 C ATOM 1283 O ASN A 85 83.759 -9.233 2.788 1.00 0.00 O ATOM 1284 CB ASN A 85 82.970 -11.915 2.308 1.00 0.00 C ATOM 1285 CG ASN A 85 83.221 -12.808 1.091 1.00 0.00 C ATOM 1286 OD1 ASN A 85 84.307 -13.325 0.917 1.00 0.00 O ATOM 1287 ND2 ASN A 85 82.257 -13.011 0.235 1.00 0.00 N ATOM 0 H ASN A 85 83.867 -11.011 4.982 1.00 0.00 H new ATOM 0 HA ASN A 85 85.128 -12.134 2.542 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.327 -12.429 3.023 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.448 -11.008 2.005 1.00 0.00 H new ATOM 0 HD21 ASN A 85 82.415 -13.604 -0.580 1.00 0.00 H new ATOM 0 HD22 ASN A 85 81.346 -12.577 0.381 1.00 0.00 H new ATOM 1294 N GLU A 86 85.878 -9.760 2.547 1.00 0.00 N ATOM 1295 CA GLU A 86 86.255 -8.332 2.355 1.00 0.00 C ATOM 1296 C GLU A 86 85.371 -7.685 1.298 1.00 0.00 C ATOM 1297 O GLU A 86 85.670 -7.699 0.120 1.00 0.00 O ATOM 1298 CB GLU A 86 87.715 -8.352 1.913 1.00 0.00 C ATOM 1299 CG GLU A 86 87.832 -9.018 0.542 1.00 0.00 C ATOM 1300 CD GLU A 86 88.958 -10.053 0.572 1.00 0.00 C ATOM 1301 OE1 GLU A 86 89.964 -9.787 1.208 1.00 0.00 O ATOM 1302 OE2 GLU A 86 88.795 -11.095 -0.042 1.00 0.00 O ATOM 0 H GLU A 86 86.651 -10.424 2.506 1.00 0.00 H new ATOM 0 HA GLU A 86 86.124 -7.749 3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.105 -7.335 1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 86 88.318 -8.892 2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 86 86.890 -9.498 0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 86 88.034 -8.268 -0.223 1.00 0.00 H new ATOM 1309 N ILE A 87 84.279 -7.117 1.723 1.00 0.00 N ATOM 1310 CA ILE A 87 83.351 -6.454 0.758 1.00 0.00 C ATOM 1311 C ILE A 87 84.146 -5.700 -0.305 1.00 0.00 C ATOM 1312 O ILE A 87 85.116 -5.027 -0.016 1.00 0.00 O ATOM 1313 CB ILE A 87 82.503 -5.471 1.576 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.310 -4.925 2.762 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.253 -6.182 2.093 1.00 0.00 C ATOM 1316 CD1 ILE A 87 82.946 -3.457 2.994 1.00 0.00 C ATOM 0 H ILE A 87 83.985 -7.081 2.699 1.00 0.00 H new ATOM 0 HA ILE A 87 82.726 -7.186 0.246 1.00 0.00 H new ATOM 0 HB ILE A 87 82.214 -4.638 0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.100 -5.509 3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.378 -5.019 2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 87 80.651 -5.483 2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 87 80.669 -6.550 1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 87 81.546 -7.020 2.725 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.519 -3.069 3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 87 83.178 -2.879 2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 87 81.881 -3.376 3.212 1.00 0.00 H new ATOM 1328 N LYS A 88 83.734 -5.806 -1.533 1.00 0.00 N ATOM 1329 CA LYS A 88 84.449 -5.095 -2.628 1.00 0.00 C ATOM 1330 C LYS A 88 83.546 -4.006 -3.198 1.00 0.00 C ATOM 1331 O LYS A 88 82.341 -4.068 -3.082 1.00 0.00 O ATOM 1332 CB LYS A 88 84.734 -6.166 -3.681 1.00 0.00 C ATOM 1333 CG LYS A 88 85.241 -5.499 -4.962 1.00 0.00 C ATOM 1334 CD LYS A 88 85.208 -6.509 -6.110 1.00 0.00 C ATOM 1335 CE LYS A 88 85.908 -7.800 -5.676 1.00 0.00 C ATOM 1336 NZ LYS A 88 86.095 -8.575 -6.934 1.00 0.00 N ATOM 0 H LYS A 88 82.928 -6.357 -1.829 1.00 0.00 H new ATOM 0 HA LYS A 88 85.367 -4.614 -2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 88 85.476 -6.871 -3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 88 83.829 -6.737 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 88 84.621 -4.636 -5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 88 86.257 -5.131 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 88 84.177 -6.720 -6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 88 85.701 -6.093 -6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 88 86.864 -7.589 -5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 88 85.305 -8.354 -4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 86.570 -9.475 -6.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 85.168 -8.766 -7.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 86.678 -8.025 -7.597 1.00 0.00 H new ATOM 1350 N LEU A 89 84.115 -3.005 -3.803 1.00 0.00 N ATOM 1351 CA LEU A 89 83.286 -1.912 -4.369 1.00 0.00 C ATOM 1352 C LEU A 89 83.450 -1.842 -5.885 1.00 0.00 C ATOM 1353 O LEU A 89 84.238 -2.558 -6.473 1.00 0.00 O ATOM 1354 CB LEU A 89 83.806 -0.632 -3.711 1.00 0.00 C ATOM 1355 CG LEU A 89 85.332 -0.679 -3.590 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.898 0.736 -3.723 1.00 0.00 C ATOM 1357 CD2 LEU A 89 85.718 -1.256 -2.226 1.00 0.00 C ATOM 0 H LEU A 89 85.121 -2.897 -3.930 1.00 0.00 H new ATOM 0 HA LEU A 89 82.224 -2.066 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 89 83.508 0.235 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 89 83.359 -0.515 -2.724 1.00 0.00 H new ATOM 0 HG LEU A 89 85.740 -1.309 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 89 86.984 0.703 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.623 1.148 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.490 1.367 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.804 -1.290 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.310 -0.626 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.315 -2.264 -2.130 1.00 0.00 H new ATOM 1369 N GLU A 90 82.701 -0.988 -6.519 1.00 0.00 N ATOM 1370 CA GLU A 90 82.791 -0.865 -7.998 1.00 0.00 C ATOM 1371 C GLU A 90 82.021 0.379 -8.457 1.00 0.00 C ATOM 1372 O GLU A 90 81.167 0.883 -7.757 1.00 0.00 O ATOM 1373 CB GLU A 90 82.148 -2.156 -8.523 1.00 0.00 C ATOM 1374 CG GLU A 90 81.524 -1.918 -9.898 1.00 0.00 C ATOM 1375 CD GLU A 90 81.561 -3.214 -10.710 1.00 0.00 C ATOM 1376 OE1 GLU A 90 80.883 -4.151 -10.324 1.00 0.00 O ATOM 1377 OE2 GLU A 90 82.269 -3.246 -11.703 1.00 0.00 O ATOM 0 H GLU A 90 82.026 -0.366 -6.074 1.00 0.00 H new ATOM 0 HA GLU A 90 83.811 -0.748 -8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 90 82.899 -2.943 -8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 90 81.385 -2.500 -7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 90 80.495 -1.576 -9.787 1.00 0.00 H new ATOM 0 HG3 GLU A 90 82.066 -1.132 -10.424 1.00 0.00 H new