USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 80:sc= 1.07 USER MOD Single : A 41 SER OG : rot 83:sc= 0.739 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -87:sc= 0.0672 USER MOD Single : A 73 ASN : amide:sc= -0.908 K(o=-0.91,f=-2.3!) USER MOD Single : A 75 THR OG1 : rot 70:sc= -2 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -126:sc= -1.78 (180deg=-3.71!) USER MOD Single : A 87 GLN : amide:sc= -0.0471 X(o=-0.047,f=-0.27) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -165:sc= -0.028 (180deg=-0.449) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 73:sc= 1.06 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 215 N ILE A 14 -1.127 -5.814 15.242 1.00 53.25 N ATOM 216 CA ILE A 14 -1.554 -5.187 16.486 1.00 3.33 C ATOM 217 C ILE A 14 -3.075 -5.149 16.590 1.00 4.11 C ATOM 218 O ILE A 14 -3.651 -5.612 17.575 1.00 72.14 O ATOM 219 CB ILE A 14 -1.006 -3.753 16.611 1.00 51.43 C ATOM 220 CG1 ILE A 14 0.521 -3.772 16.699 1.00 23.51 C ATOM 221 CG2 ILE A 14 -1.604 -3.061 17.827 1.00 25.10 C ATOM 222 CD1 ILE A 14 1.048 -4.548 17.886 1.00 32.12 C ATOM 0 HA ILE A 14 -1.152 -5.793 17.298 1.00 3.33 H new ATOM 0 HB ILE A 14 -1.292 -3.192 15.721 1.00 51.43 H new ATOM 0 HG12 ILE A 14 0.924 -4.205 15.784 1.00 23.51 H new ATOM 0 HG13 ILE A 14 0.887 -2.747 16.754 1.00 23.51 H new ATOM 0 HG21 ILE A 14 -1.207 -2.049 17.901 1.00 25.10 H new ATOM 0 HG22 ILE A 14 -2.688 -3.019 17.725 1.00 25.10 H new ATOM 0 HG23 ILE A 14 -1.346 -3.619 18.727 1.00 25.10 H new ATOM 0 HD11 ILE A 14 2.138 -4.519 17.885 1.00 32.12 H new ATOM 0 HD12 ILE A 14 0.674 -4.102 18.807 1.00 32.12 H new ATOM 0 HD13 ILE A 14 0.712 -5.583 17.822 1.00 32.12 H new ATOM 234 N ILE A 15 -3.718 -4.596 15.568 1.00 72.25 N ATOM 235 CA ILE A 15 -5.173 -4.501 15.542 1.00 5.15 C ATOM 236 C ILE A 15 -5.817 -5.859 15.796 1.00 21.52 C ATOM 237 O ILE A 15 -6.911 -5.945 16.353 1.00 65.31 O ATOM 238 CB ILE A 15 -5.677 -3.949 14.196 1.00 34.21 C ATOM 239 CG1 ILE A 15 -5.008 -2.608 13.886 1.00 35.54 C ATOM 240 CG2 ILE A 15 -7.191 -3.799 14.219 1.00 32.34 C ATOM 241 CD1 ILE A 15 -5.112 -1.606 15.015 1.00 73.43 C ATOM 0 H ILE A 15 -3.255 -4.207 14.747 1.00 72.25 H new ATOM 0 HA ILE A 15 -5.459 -3.812 16.337 1.00 5.15 H new ATOM 0 HB ILE A 15 -5.413 -4.655 13.409 1.00 34.21 H new ATOM 0 HG12 ILE A 15 -3.956 -2.780 13.659 1.00 35.54 H new ATOM 0 HG13 ILE A 15 -5.462 -2.183 12.991 1.00 35.54 H new ATOM 0 HG21 ILE A 15 -7.532 -3.408 13.261 1.00 32.34 H new ATOM 0 HG22 ILE A 15 -7.650 -4.771 14.399 1.00 32.34 H new ATOM 0 HG23 ILE A 15 -7.476 -3.110 15.014 1.00 32.34 H new ATOM 0 HD11 ILE A 15 -4.616 -0.679 14.726 1.00 73.43 H new ATOM 0 HD12 ILE A 15 -6.162 -1.405 15.227 1.00 73.43 H new ATOM 0 HD13 ILE A 15 -4.633 -2.011 15.906 1.00 73.43 H new ATOM 253 N GLY A 16 -5.129 -6.921 15.385 1.00 54.31 N ATOM 254 CA GLY A 16 -5.649 -8.262 15.578 1.00 53.21 C ATOM 255 C GLY A 16 -5.792 -8.623 17.043 1.00 21.01 C ATOM 256 O GLY A 16 -6.732 -9.318 17.430 1.00 15.23 O ATOM 0 H GLY A 16 -4.221 -6.876 14.922 1.00 54.31 H new ATOM 0 HA2 GLY A 16 -6.620 -8.346 15.090 1.00 53.21 H new ATOM 0 HA3 GLY A 16 -4.986 -8.979 15.093 1.00 53.21 H new ATOM 260 N LEU A 17 -4.856 -8.153 17.860 1.00 13.34 N ATOM 261 CA LEU A 17 -4.881 -8.431 19.292 1.00 24.41 C ATOM 262 C LEU A 17 -5.808 -7.463 20.020 1.00 64.12 C ATOM 263 O LEU A 17 -6.540 -7.853 20.929 1.00 22.05 O ATOM 264 CB LEU A 17 -3.469 -8.338 19.874 1.00 61.41 C ATOM 265 CG LEU A 17 -2.342 -8.876 18.991 1.00 53.02 C ATOM 266 CD1 LEU A 17 -0.998 -8.714 19.683 1.00 21.11 C ATOM 267 CD2 LEU A 17 -2.591 -10.335 18.639 1.00 62.51 C ATOM 0 H LEU A 17 -4.071 -7.578 17.556 1.00 13.34 H new ATOM 0 HA LEU A 17 -5.260 -9.443 19.433 1.00 24.41 H new ATOM 0 HB2 LEU A 17 -3.259 -7.293 20.100 1.00 61.41 H new ATOM 0 HB3 LEU A 17 -3.451 -8.878 20.820 1.00 61.41 H new ATOM 0 HG LEU A 17 -2.323 -8.298 18.067 1.00 53.02 H new ATOM 0 HD11 LEU A 17 -0.208 -9.102 19.040 1.00 21.11 H new ATOM 0 HD12 LEU A 17 -0.817 -7.658 19.883 1.00 21.11 H new ATOM 0 HD13 LEU A 17 -1.004 -9.265 20.623 1.00 21.11 H new ATOM 0 HD21 LEU A 17 -1.779 -10.701 18.010 1.00 62.51 H new ATOM 0 HD22 LEU A 17 -2.638 -10.927 19.553 1.00 62.51 H new ATOM 0 HD23 LEU A 17 -3.535 -10.424 18.101 1.00 62.51 H new ATOM 279 N VAL A 18 -5.772 -6.198 19.612 1.00 75.54 N ATOM 280 CA VAL A 18 -6.612 -5.174 20.222 1.00 23.41 C ATOM 281 C VAL A 18 -8.077 -5.373 19.852 1.00 14.32 C ATOM 282 O VAL A 18 -8.975 -4.909 20.556 1.00 23.21 O ATOM 283 CB VAL A 18 -6.173 -3.761 19.795 1.00 24.14 C ATOM 284 CG1 VAL A 18 -4.656 -3.668 19.736 1.00 24.21 C ATOM 285 CG2 VAL A 18 -6.790 -3.394 18.455 1.00 53.24 C ATOM 0 H VAL A 18 -5.170 -5.858 18.862 1.00 75.54 H new ATOM 0 HA VAL A 18 -6.497 -5.271 21.302 1.00 23.41 H new ATOM 0 HB VAL A 18 -6.528 -3.049 20.540 1.00 24.14 H new ATOM 0 HG11 VAL A 18 -4.365 -2.662 19.433 1.00 24.21 H new ATOM 0 HG12 VAL A 18 -4.240 -3.885 20.720 1.00 24.21 H new ATOM 0 HG13 VAL A 18 -4.275 -4.390 19.013 1.00 24.21 H new ATOM 0 HG21 VAL A 18 -6.469 -2.392 18.169 1.00 53.24 H new ATOM 0 HG22 VAL A 18 -6.467 -4.109 17.698 1.00 53.24 H new ATOM 0 HG23 VAL A 18 -7.877 -3.417 18.536 1.00 53.24 H new ATOM 295 N VAL A 19 -8.314 -6.065 18.743 1.00 64.44 N ATOM 296 CA VAL A 19 -9.671 -6.327 18.279 1.00 20.21 C ATOM 297 C VAL A 19 -10.146 -7.707 18.720 1.00 64.22 C ATOM 298 O VAL A 19 -11.207 -7.846 19.329 1.00 10.54 O ATOM 299 CB VAL A 19 -9.769 -6.228 16.745 1.00 31.31 C ATOM 300 CG1 VAL A 19 -11.122 -6.729 16.263 1.00 13.52 C ATOM 301 CG2 VAL A 19 -9.526 -4.798 16.287 1.00 33.13 C ATOM 0 H VAL A 19 -7.583 -6.455 18.148 1.00 64.44 H new ATOM 0 HA VAL A 19 -10.311 -5.566 18.726 1.00 20.21 H new ATOM 0 HB VAL A 19 -8.997 -6.861 16.307 1.00 31.31 H new ATOM 0 HG11 VAL A 19 -11.173 -6.651 15.177 1.00 13.52 H new ATOM 0 HG12 VAL A 19 -11.251 -7.770 16.559 1.00 13.52 H new ATOM 0 HG13 VAL A 19 -11.913 -6.125 16.707 1.00 13.52 H new ATOM 0 HG21 VAL A 19 -9.599 -4.747 15.201 1.00 33.13 H new ATOM 0 HG22 VAL A 19 -10.273 -4.141 16.732 1.00 33.13 H new ATOM 0 HG23 VAL A 19 -8.531 -4.480 16.599 1.00 33.13 H new ATOM 311 N LEU A 20 -9.353 -8.727 18.408 1.00 1.34 N ATOM 312 CA LEU A 20 -9.691 -10.098 18.773 1.00 72.12 C ATOM 313 C LEU A 20 -9.363 -10.369 20.238 1.00 61.15 C ATOM 314 O LEU A 20 -9.619 -11.458 20.751 1.00 44.45 O ATOM 315 CB LEU A 20 -8.938 -11.085 17.879 1.00 55.24 C ATOM 316 CG LEU A 20 -9.545 -12.484 17.764 1.00 4.01 C ATOM 317 CD1 LEU A 20 -11.060 -12.403 17.659 1.00 4.54 C ATOM 318 CD2 LEU A 20 -8.964 -13.220 16.565 1.00 31.25 C ATOM 0 H LEU A 20 -8.472 -8.630 17.903 1.00 1.34 H new ATOM 0 HA LEU A 20 -10.763 -10.232 18.629 1.00 72.12 H new ATOM 0 HB2 LEU A 20 -8.868 -10.658 16.879 1.00 55.24 H new ATOM 0 HB3 LEU A 20 -7.920 -11.182 18.256 1.00 55.24 H new ATOM 0 HG LEU A 20 -9.294 -13.043 18.666 1.00 4.01 H new ATOM 0 HD11 LEU A 20 -11.473 -13.408 17.578 1.00 4.54 H new ATOM 0 HD12 LEU A 20 -11.461 -11.916 18.548 1.00 4.54 H new ATOM 0 HD13 LEU A 20 -11.333 -11.826 16.775 1.00 4.54 H new ATOM 0 HD21 LEU A 20 -9.407 -14.214 16.498 1.00 31.25 H new ATOM 0 HD22 LEU A 20 -9.184 -12.663 15.654 1.00 31.25 H new ATOM 0 HD23 LEU A 20 -7.884 -13.311 16.682 1.00 31.25 H new ATOM 330 N GLY A 21 -8.796 -9.370 20.907 1.00 51.54 N ATOM 331 CA GLY A 21 -8.444 -9.519 22.306 1.00 31.34 C ATOM 332 C GLY A 21 -7.343 -10.539 22.522 1.00 74.04 C ATOM 333 O GLY A 21 -7.371 -11.640 21.971 1.00 14.11 O ATOM 0 H GLY A 21 -8.574 -8.460 20.504 1.00 51.54 H new ATOM 0 HA2 GLY A 21 -8.124 -8.555 22.702 1.00 31.34 H new ATOM 0 HA3 GLY A 21 -9.328 -9.818 22.870 1.00 31.34 H new ATOM 337 N PRO A 22 -6.344 -10.174 23.339 1.00 54.32 N ATOM 338 CA PRO A 22 -5.210 -11.051 23.643 1.00 2.41 C ATOM 339 C PRO A 22 -5.612 -12.241 24.507 1.00 54.10 C ATOM 340 O PRO A 22 -4.786 -13.096 24.824 1.00 10.24 O ATOM 341 CB PRO A 22 -4.249 -10.136 24.407 1.00 14.22 C ATOM 342 CG PRO A 22 -5.121 -9.086 25.005 1.00 33.10 C ATOM 343 CD PRO A 22 -6.246 -8.877 24.029 1.00 10.22 C ATOM 0 HA PRO A 22 -4.780 -11.487 22.742 1.00 2.41 H new ATOM 0 HB2 PRO A 22 -3.707 -10.686 25.176 1.00 14.22 H new ATOM 0 HB3 PRO A 22 -3.504 -9.700 23.741 1.00 14.22 H new ATOM 0 HG2 PRO A 22 -5.501 -9.401 25.977 1.00 33.10 H new ATOM 0 HG3 PRO A 22 -4.566 -8.162 25.164 1.00 33.10 H new ATOM 0 HD2 PRO A 22 -7.176 -8.621 24.537 1.00 10.22 H new ATOM 0 HD3 PRO A 22 -6.029 -8.067 23.333 1.00 10.22 H new ATOM 351 N GLN A 23 -6.886 -12.289 24.883 1.00 32.22 N ATOM 352 CA GLN A 23 -7.397 -13.376 25.711 1.00 50.42 C ATOM 353 C GLN A 23 -7.323 -14.706 24.969 1.00 20.11 C ATOM 354 O GLN A 23 -6.998 -15.738 25.557 1.00 70.13 O ATOM 355 CB GLN A 23 -8.841 -13.091 26.129 1.00 44.10 C ATOM 356 CG GLN A 23 -8.962 -12.044 27.225 1.00 65.13 C ATOM 357 CD GLN A 23 -10.391 -11.588 27.441 1.00 41.22 C ATOM 358 OE1 GLN A 23 -11.030 -11.955 28.427 1.00 23.52 O ATOM 359 NE2 GLN A 23 -10.901 -10.782 26.517 1.00 14.11 N ATOM 0 H GLN A 23 -7.583 -11.589 24.628 1.00 32.22 H new ATOM 0 HA GLN A 23 -6.774 -13.444 26.603 1.00 50.42 H new ATOM 0 HB2 GLN A 23 -9.404 -12.759 25.257 1.00 44.10 H new ATOM 0 HB3 GLN A 23 -9.301 -14.018 26.471 1.00 44.10 H new ATOM 0 HG2 GLN A 23 -8.570 -12.452 28.157 1.00 65.13 H new ATOM 0 HG3 GLN A 23 -8.345 -11.183 26.969 1.00 65.13 H new ATOM 0 HE21 GLN A 23 -10.335 -10.503 25.715 1.00 14.11 H new ATOM 0 HE22 GLN A 23 -11.858 -10.442 26.609 1.00 14.11 H new ATOM 368 N ARG A 24 -7.627 -14.675 23.676 1.00 42.33 N ATOM 369 CA ARG A 24 -7.596 -15.879 22.854 1.00 11.32 C ATOM 370 C ARG A 24 -6.868 -15.621 21.539 1.00 45.25 C ATOM 371 O ARG A 24 -7.371 -15.947 20.463 1.00 73.40 O ATOM 372 CB ARG A 24 -9.019 -16.367 22.575 1.00 65.35 C ATOM 373 CG ARG A 24 -9.999 -15.246 22.272 1.00 71.23 C ATOM 374 CD ARG A 24 -9.951 -14.845 20.806 1.00 72.14 C ATOM 375 NE ARG A 24 -10.982 -13.866 20.472 1.00 11.21 N ATOM 376 CZ ARG A 24 -12.279 -14.149 20.430 1.00 31.44 C ATOM 377 NH1 ARG A 24 -12.702 -15.377 20.700 1.00 2.23 N ATOM 378 NH2 ARG A 24 -13.156 -13.204 20.119 1.00 55.03 N ATOM 0 H ARG A 24 -7.898 -13.829 23.175 1.00 42.33 H new ATOM 0 HA ARG A 24 -7.055 -16.650 23.403 1.00 11.32 H new ATOM 0 HB2 ARG A 24 -8.998 -17.058 21.732 1.00 65.35 H new ATOM 0 HB3 ARG A 24 -9.377 -16.928 23.438 1.00 65.35 H new ATOM 0 HG2 ARG A 24 -11.009 -15.564 22.530 1.00 71.23 H new ATOM 0 HG3 ARG A 24 -9.768 -14.381 22.895 1.00 71.23 H new ATOM 0 HD2 ARG A 24 -8.970 -14.431 20.576 1.00 72.14 H new ATOM 0 HD3 ARG A 24 -10.077 -15.731 20.184 1.00 72.14 H new ATOM 0 HE ARG A 24 -10.690 -12.912 20.259 1.00 11.21 H new ATOM 0 HH11 ARG A 24 -12.031 -16.106 20.941 1.00 2.23 H new ATOM 0 HH12 ARG A 24 -13.699 -15.592 20.667 1.00 2.23 H new ATOM 0 HH21 ARG A 24 -12.835 -12.258 19.912 1.00 55.03 H new ATOM 0 HH22 ARG A 24 -14.152 -13.423 20.087 1.00 55.03 H new ATOM 392 N LEU A 25 -5.680 -15.033 21.631 1.00 10.44 N ATOM 393 CA LEU A 25 -4.882 -14.730 20.449 1.00 45.03 C ATOM 394 C LEU A 25 -4.300 -16.004 19.844 1.00 42.32 C ATOM 395 O LEU A 25 -4.471 -16.292 18.659 1.00 33.33 O ATOM 396 CB LEU A 25 -3.754 -13.760 20.805 1.00 2.20 C ATOM 397 CG LEU A 25 -2.658 -13.588 19.752 1.00 32.32 C ATOM 398 CD1 LEU A 25 -1.573 -14.637 19.936 1.00 63.43 C ATOM 399 CD2 LEU A 25 -3.248 -13.667 18.351 1.00 24.25 C ATOM 0 H LEU A 25 -5.248 -14.757 22.513 1.00 10.44 H new ATOM 0 HA LEU A 25 -5.534 -14.264 19.711 1.00 45.03 H new ATOM 0 HB2 LEU A 25 -4.193 -12.783 21.007 1.00 2.20 H new ATOM 0 HB3 LEU A 25 -3.290 -14.098 21.731 1.00 2.20 H new ATOM 0 HG LEU A 25 -2.208 -12.603 19.880 1.00 32.32 H new ATOM 0 HD11 LEU A 25 -0.802 -14.499 19.178 1.00 63.43 H new ATOM 0 HD12 LEU A 25 -1.131 -14.533 20.927 1.00 63.43 H new ATOM 0 HD13 LEU A 25 -2.008 -15.632 19.835 1.00 63.43 H new ATOM 0 HD21 LEU A 25 -2.454 -13.543 17.614 1.00 24.25 H new ATOM 0 HD22 LEU A 25 -3.724 -14.637 18.211 1.00 24.25 H new ATOM 0 HD23 LEU A 25 -3.989 -12.878 18.223 1.00 24.25 H new ATOM 411 N PRO A 26 -3.596 -16.786 20.676 1.00 74.44 N ATOM 412 CA PRO A 26 -2.978 -18.044 20.246 1.00 45.33 C ATOM 413 C PRO A 26 -4.010 -19.125 19.944 1.00 1.32 C ATOM 414 O PRO A 26 -3.671 -20.202 19.455 1.00 63.22 O ATOM 415 CB PRO A 26 -2.118 -18.445 21.447 1.00 33.22 C ATOM 416 CG PRO A 26 -2.773 -17.793 22.616 1.00 43.33 C ATOM 417 CD PRO A 26 -3.352 -16.504 22.100 1.00 23.30 C ATOM 0 HA PRO A 26 -2.414 -17.925 19.321 1.00 45.33 H new ATOM 0 HB2 PRO A 26 -2.084 -19.528 21.565 1.00 33.22 H new ATOM 0 HB3 PRO A 26 -1.089 -18.105 21.329 1.00 33.22 H new ATOM 0 HG2 PRO A 26 -3.552 -18.431 23.033 1.00 43.33 H new ATOM 0 HG3 PRO A 26 -2.053 -17.606 23.413 1.00 43.33 H new ATOM 0 HD2 PRO A 26 -4.272 -16.240 22.621 1.00 23.30 H new ATOM 0 HD3 PRO A 26 -2.661 -15.672 22.232 1.00 23.30 H new ATOM 425 N VAL A 27 -5.272 -18.830 20.239 1.00 52.20 N ATOM 426 CA VAL A 27 -6.355 -19.776 19.998 1.00 63.22 C ATOM 427 C VAL A 27 -6.525 -20.048 18.507 1.00 30.24 C ATOM 428 O VAL A 27 -6.607 -21.200 18.082 1.00 42.13 O ATOM 429 CB VAL A 27 -7.689 -19.261 20.570 1.00 4.11 C ATOM 430 CG1 VAL A 27 -8.842 -20.140 20.112 1.00 62.43 C ATOM 431 CG2 VAL A 27 -7.627 -19.197 22.089 1.00 50.13 C ATOM 0 H VAL A 27 -5.570 -17.943 20.645 1.00 52.20 H new ATOM 0 HA VAL A 27 -6.085 -20.702 20.505 1.00 63.22 H new ATOM 0 HB VAL A 27 -7.861 -18.253 20.193 1.00 4.11 H new ATOM 0 HG11 VAL A 27 -9.776 -19.760 20.526 1.00 62.43 H new ATOM 0 HG12 VAL A 27 -8.897 -20.130 19.023 1.00 62.43 H new ATOM 0 HG13 VAL A 27 -8.681 -21.161 20.457 1.00 62.43 H new ATOM 0 HG21 VAL A 27 -8.578 -18.831 22.477 1.00 50.13 H new ATOM 0 HG22 VAL A 27 -7.432 -20.193 22.487 1.00 50.13 H new ATOM 0 HG23 VAL A 27 -6.827 -18.521 22.392 1.00 50.13 H new ATOM 441 N ALA A 28 -6.577 -18.980 17.719 1.00 53.23 N ATOM 442 CA ALA A 28 -6.735 -19.103 16.275 1.00 73.10 C ATOM 443 C ALA A 28 -5.547 -19.829 15.653 1.00 52.33 C ATOM 444 O ALA A 28 -5.715 -20.819 14.940 1.00 11.43 O ATOM 445 CB ALA A 28 -6.907 -17.729 15.644 1.00 61.44 C ATOM 0 H ALA A 28 -6.512 -18.019 18.056 1.00 53.23 H new ATOM 0 HA ALA A 28 -7.630 -19.694 16.081 1.00 73.10 H new ATOM 0 HB1 ALA A 28 -7.024 -17.836 14.566 1.00 61.44 H new ATOM 0 HB2 ALA A 28 -7.792 -17.246 16.059 1.00 61.44 H new ATOM 0 HB3 ALA A 28 -6.029 -17.119 15.855 1.00 61.44 H new ATOM 451 N VAL A 29 -4.346 -19.330 15.926 1.00 43.32 N ATOM 452 CA VAL A 29 -3.129 -19.931 15.393 1.00 51.02 C ATOM 453 C VAL A 29 -3.066 -21.420 15.714 1.00 43.02 C ATOM 454 O VAL A 29 -2.907 -22.253 14.821 1.00 3.02 O ATOM 455 CB VAL A 29 -1.871 -19.242 15.953 1.00 24.23 C ATOM 456 CG1 VAL A 29 -0.620 -19.778 15.272 1.00 34.05 C ATOM 457 CG2 VAL A 29 -1.972 -17.733 15.789 1.00 21.22 C ATOM 0 H VAL A 29 -4.189 -18.511 16.513 1.00 43.32 H new ATOM 0 HA VAL A 29 -3.156 -19.796 14.312 1.00 51.02 H new ATOM 0 HB VAL A 29 -1.800 -19.465 17.018 1.00 24.23 H new ATOM 0 HG11 VAL A 29 0.259 -19.279 15.681 1.00 34.05 H new ATOM 0 HG12 VAL A 29 -0.542 -20.851 15.446 1.00 34.05 H new ATOM 0 HG13 VAL A 29 -0.679 -19.588 14.200 1.00 34.05 H new ATOM 0 HG21 VAL A 29 -1.074 -17.263 16.190 1.00 21.22 H new ATOM 0 HG22 VAL A 29 -2.069 -17.488 14.731 1.00 21.22 H new ATOM 0 HG23 VAL A 29 -2.846 -17.366 16.328 1.00 21.22 H new ATOM 467 N LYS A 30 -3.192 -21.749 16.995 1.00 64.21 N ATOM 468 CA LYS A 30 -3.151 -23.138 17.436 1.00 22.40 C ATOM 469 C LYS A 30 -4.186 -23.976 16.692 1.00 64.22 C ATOM 470 O LYS A 30 -3.886 -25.069 16.211 1.00 64.43 O ATOM 471 CB LYS A 30 -3.399 -23.224 18.944 1.00 44.22 C ATOM 472 CG LYS A 30 -2.245 -22.699 19.780 1.00 2.25 C ATOM 473 CD LYS A 30 -1.373 -23.830 20.300 1.00 12.34 C ATOM 474 CE LYS A 30 -1.474 -23.961 21.812 1.00 30.14 C ATOM 475 NZ LYS A 30 -0.858 -25.225 22.302 1.00 65.34 N ATOM 0 H LYS A 30 -3.323 -21.072 17.747 1.00 64.21 H new ATOM 0 HA LYS A 30 -2.160 -23.534 17.214 1.00 22.40 H new ATOM 0 HB2 LYS A 30 -4.300 -22.661 19.188 1.00 44.22 H new ATOM 0 HB3 LYS A 30 -3.589 -24.263 19.214 1.00 44.22 H new ATOM 0 HG2 LYS A 30 -1.640 -22.018 19.181 1.00 2.25 H new ATOM 0 HG3 LYS A 30 -2.635 -22.124 20.620 1.00 2.25 H new ATOM 0 HD2 LYS A 30 -1.673 -24.767 19.832 1.00 12.34 H new ATOM 0 HD3 LYS A 30 -0.336 -23.650 20.018 1.00 12.34 H new ATOM 0 HE2 LYS A 30 -0.982 -23.111 22.284 1.00 30.14 H new ATOM 0 HE3 LYS A 30 -2.522 -23.928 22.110 1.00 30.14 H new ATOM 0 HZ1 LYS A 30 -0.947 -25.276 23.337 1.00 65.34 H new ATOM 0 HZ2 LYS A 30 -1.344 -26.038 21.872 1.00 65.34 H new ATOM 0 HZ3 LYS A 30 0.148 -25.245 22.040 1.00 65.34 H new ATOM 489 N THR A 31 -5.406 -23.456 16.599 1.00 23.31 N ATOM 490 CA THR A 31 -6.485 -24.156 15.913 1.00 4.03 C ATOM 491 C THR A 31 -6.109 -24.465 14.469 1.00 42.55 C ATOM 492 O THR A 31 -5.968 -25.627 14.088 1.00 42.32 O ATOM 493 CB THR A 31 -7.787 -23.333 15.929 1.00 62.34 C ATOM 494 OG1 THR A 31 -8.292 -23.240 17.265 1.00 23.13 O ATOM 495 CG2 THR A 31 -8.837 -23.965 15.027 1.00 22.33 C ATOM 0 H THR A 31 -5.671 -22.552 16.990 1.00 23.31 H new ATOM 0 HA THR A 31 -6.648 -25.090 16.450 1.00 4.03 H new ATOM 0 HB THR A 31 -7.564 -22.334 15.556 1.00 62.34 H new ATOM 0 HG1 THR A 31 -7.805 -22.542 17.751 1.00 23.13 H new ATOM 0 HG21 THR A 31 -9.748 -23.367 15.054 1.00 22.33 H new ATOM 0 HG22 THR A 31 -8.461 -24.007 14.005 1.00 22.33 H new ATOM 0 HG23 THR A 31 -9.056 -24.975 15.375 1.00 22.33 H new ATOM 503 N VAL A 32 -5.947 -23.416 13.667 1.00 31.32 N ATOM 504 CA VAL A 32 -5.585 -23.576 12.264 1.00 55.43 C ATOM 505 C VAL A 32 -4.431 -24.558 12.102 1.00 43.32 C ATOM 506 O VAL A 32 -4.585 -25.619 11.497 1.00 1.45 O ATOM 507 CB VAL A 32 -5.192 -22.228 11.629 1.00 20.42 C ATOM 508 CG1 VAL A 32 -4.911 -22.399 10.144 1.00 23.41 C ATOM 509 CG2 VAL A 32 -6.283 -21.193 11.858 1.00 71.42 C ATOM 0 H VAL A 32 -6.061 -22.447 13.966 1.00 31.32 H new ATOM 0 HA VAL A 32 -6.464 -23.968 11.753 1.00 55.43 H new ATOM 0 HB VAL A 32 -4.280 -21.873 12.108 1.00 20.42 H new ATOM 0 HG11 VAL A 32 -4.635 -21.437 9.713 1.00 23.41 H new ATOM 0 HG12 VAL A 32 -4.093 -23.106 10.008 1.00 23.41 H new ATOM 0 HG13 VAL A 32 -5.804 -22.777 9.646 1.00 23.41 H new ATOM 0 HG21 VAL A 32 -5.989 -20.247 11.403 1.00 71.42 H new ATOM 0 HG22 VAL A 32 -7.213 -21.539 11.407 1.00 71.42 H new ATOM 0 HG23 VAL A 32 -6.430 -21.050 12.929 1.00 71.42 H new ATOM 519 N ALA A 33 -3.273 -24.197 12.647 1.00 54.25 N ATOM 520 CA ALA A 33 -2.093 -25.047 12.565 1.00 65.41 C ATOM 521 C ALA A 33 -2.382 -26.442 13.108 1.00 31.44 C ATOM 522 O ALA A 33 -1.705 -27.408 12.759 1.00 22.21 O ATOM 523 CB ALA A 33 -0.933 -24.415 13.320 1.00 12.42 C ATOM 0 H ALA A 33 -3.128 -23.321 13.150 1.00 54.25 H new ATOM 0 HA ALA A 33 -1.819 -25.144 11.515 1.00 65.41 H new ATOM 0 HB1 ALA A 33 -0.058 -25.061 13.250 1.00 12.42 H new ATOM 0 HB2 ALA A 33 -0.702 -23.443 12.884 1.00 12.42 H new ATOM 0 HB3 ALA A 33 -1.207 -24.287 14.367 1.00 12.42 H new ATOM 529 N GLY A 34 -3.393 -26.540 13.967 1.00 71.34 N ATOM 530 CA GLY A 34 -3.753 -27.821 14.545 1.00 35.42 C ATOM 531 C GLY A 34 -4.192 -28.827 13.499 1.00 34.04 C ATOM 532 O GLY A 34 -3.498 -29.811 13.245 1.00 42.00 O ATOM 0 H GLY A 34 -3.968 -25.755 14.272 1.00 71.34 H new ATOM 0 HA2 GLY A 34 -2.900 -28.221 15.094 1.00 35.42 H new ATOM 0 HA3 GLY A 34 -4.557 -27.677 15.266 1.00 35.42 H new ATOM 536 N TRP A 35 -5.348 -28.581 12.893 1.00 32.23 N ATOM 537 CA TRP A 35 -5.880 -29.475 11.870 1.00 3.42 C ATOM 538 C TRP A 35 -5.110 -29.324 10.563 1.00 65.40 C ATOM 539 O TRP A 35 -5.140 -30.211 9.709 1.00 22.00 O ATOM 540 CB TRP A 35 -7.364 -29.191 11.637 1.00 15.43 C ATOM 541 CG TRP A 35 -7.668 -27.735 11.448 1.00 34.22 C ATOM 542 CD1 TRP A 35 -7.955 -26.824 12.424 1.00 21.25 C ATOM 543 CD2 TRP A 35 -7.718 -27.024 10.206 1.00 23.44 C ATOM 544 NE1 TRP A 35 -8.179 -25.590 11.864 1.00 14.33 N ATOM 545 CE2 TRP A 35 -8.039 -25.686 10.505 1.00 0.21 C ATOM 546 CE3 TRP A 35 -7.520 -27.388 8.872 1.00 44.44 C ATOM 547 CZ2 TRP A 35 -8.167 -24.713 9.517 1.00 33.12 C ATOM 548 CZ3 TRP A 35 -7.648 -26.421 7.892 1.00 23.23 C ATOM 549 CH2 TRP A 35 -7.968 -25.097 8.219 1.00 52.32 C ATOM 0 H TRP A 35 -5.935 -27.771 13.092 1.00 32.23 H new ATOM 0 HA TRP A 35 -5.765 -30.500 12.222 1.00 3.42 H new ATOM 0 HB2 TRP A 35 -7.698 -29.742 10.758 1.00 15.43 H new ATOM 0 HB3 TRP A 35 -7.936 -29.567 12.485 1.00 15.43 H new ATOM 0 HD1 TRP A 35 -7.999 -27.042 13.481 1.00 21.25 H new ATOM 0 HE1 TRP A 35 -8.412 -24.740 12.377 1.00 14.33 H new ATOM 0 HE3 TRP A 35 -7.271 -28.406 8.611 1.00 44.44 H new ATOM 0 HZ2 TRP A 35 -8.415 -23.692 9.766 1.00 33.12 H new ATOM 0 HZ3 TRP A 35 -7.499 -26.691 6.857 1.00 23.23 H new ATOM 0 HH2 TRP A 35 -8.059 -24.365 7.431 1.00 52.32 H new ATOM 560 N ILE A 36 -4.420 -28.198 10.413 1.00 35.23 N ATOM 561 CA ILE A 36 -3.642 -27.934 9.210 1.00 64.11 C ATOM 562 C ILE A 36 -2.430 -28.856 9.126 1.00 4.32 C ATOM 563 O ILE A 36 -2.188 -29.489 8.098 1.00 12.33 O ATOM 564 CB ILE A 36 -3.164 -26.471 9.158 1.00 12.32 C ATOM 565 CG1 ILE A 36 -4.277 -25.567 8.622 1.00 24.20 C ATOM 566 CG2 ILE A 36 -1.916 -26.351 8.297 1.00 42.11 C ATOM 567 CD1 ILE A 36 -4.636 -25.843 7.179 1.00 41.22 C ATOM 0 H ILE A 36 -4.384 -27.454 11.110 1.00 35.23 H new ATOM 0 HA ILE A 36 -4.299 -28.123 8.361 1.00 64.11 H new ATOM 0 HB ILE A 36 -2.915 -26.149 10.169 1.00 12.32 H new ATOM 0 HG12 ILE A 36 -5.166 -25.693 9.240 1.00 24.20 H new ATOM 0 HG13 ILE A 36 -3.967 -24.526 8.718 1.00 24.20 H new ATOM 0 HG21 ILE A 36 -1.591 -25.311 8.270 1.00 42.11 H new ATOM 0 HG22 ILE A 36 -1.123 -26.969 8.718 1.00 42.11 H new ATOM 0 HG23 ILE A 36 -2.139 -26.687 7.284 1.00 42.11 H new ATOM 0 HD11 ILE A 36 -5.431 -25.166 6.866 1.00 41.22 H new ATOM 0 HD12 ILE A 36 -3.759 -25.689 6.550 1.00 41.22 H new ATOM 0 HD13 ILE A 36 -4.977 -26.874 7.080 1.00 41.22 H new ATOM 579 N ARG A 37 -1.671 -28.927 10.215 1.00 32.23 N ATOM 580 CA ARG A 37 -0.484 -29.772 10.266 1.00 72.25 C ATOM 581 C ARG A 37 -0.869 -31.246 10.357 1.00 53.11 C ATOM 582 O ARG A 37 -0.195 -32.110 9.798 1.00 44.34 O ATOM 583 CB ARG A 37 0.391 -29.388 11.460 1.00 42.13 C ATOM 584 CG ARG A 37 1.838 -29.833 11.322 1.00 2.43 C ATOM 585 CD ARG A 37 2.522 -29.149 10.149 1.00 42.40 C ATOM 586 NE ARG A 37 3.972 -29.097 10.315 1.00 2.43 N ATOM 587 CZ ARG A 37 4.817 -28.847 9.321 1.00 4.24 C ATOM 588 NH1 ARG A 37 4.359 -28.627 8.097 1.00 44.13 N ATOM 589 NH2 ARG A 37 6.124 -28.816 9.552 1.00 52.03 N ATOM 0 H ARG A 37 -1.857 -28.409 11.074 1.00 32.23 H new ATOM 0 HA ARG A 37 0.080 -29.618 9.346 1.00 72.25 H new ATOM 0 HB2 ARG A 37 0.363 -28.306 11.587 1.00 42.13 H new ATOM 0 HB3 ARG A 37 -0.031 -29.826 12.365 1.00 42.13 H new ATOM 0 HG2 ARG A 37 2.378 -29.608 12.241 1.00 2.43 H new ATOM 0 HG3 ARG A 37 1.876 -30.914 11.187 1.00 2.43 H new ATOM 0 HD2 ARG A 37 2.281 -29.681 9.229 1.00 42.40 H new ATOM 0 HD3 ARG A 37 2.133 -28.136 10.043 1.00 42.40 H new ATOM 0 HE ARG A 37 4.357 -29.262 11.245 1.00 2.43 H new ATOM 0 HH11 ARG A 37 3.355 -28.649 7.916 1.00 44.13 H new ATOM 0 HH12 ARG A 37 5.010 -28.435 7.336 1.00 44.13 H new ATOM 0 HH21 ARG A 37 6.480 -28.984 10.493 1.00 52.03 H new ATOM 0 HH22 ARG A 37 6.772 -28.624 8.788 1.00 52.03 H new ATOM 603 N ALA A 38 -1.958 -31.525 11.066 1.00 11.32 N ATOM 604 CA ALA A 38 -2.434 -32.893 11.230 1.00 43.24 C ATOM 605 C ALA A 38 -2.826 -33.502 9.888 1.00 42.34 C ATOM 606 O ALA A 38 -2.367 -34.587 9.529 1.00 42.13 O ATOM 607 CB ALA A 38 -3.611 -32.931 12.193 1.00 41.23 C ATOM 0 H ALA A 38 -2.527 -30.821 11.536 1.00 11.32 H new ATOM 0 HA ALA A 38 -1.620 -33.487 11.645 1.00 43.24 H new ATOM 0 HB1 ALA A 38 -3.956 -33.959 12.306 1.00 41.23 H new ATOM 0 HB2 ALA A 38 -3.300 -32.544 13.163 1.00 41.23 H new ATOM 0 HB3 ALA A 38 -4.422 -32.317 11.801 1.00 41.23 H new ATOM 613 N LEU A 39 -3.677 -32.798 9.150 1.00 13.51 N ATOM 614 CA LEU A 39 -4.132 -33.269 7.847 1.00 71.32 C ATOM 615 C LEU A 39 -2.990 -33.261 6.836 1.00 52.24 C ATOM 616 O LEU A 39 -2.862 -34.175 6.021 1.00 32.12 O ATOM 617 CB LEU A 39 -5.283 -32.398 7.340 1.00 33.45 C ATOM 618 CG LEU A 39 -4.895 -31.026 6.790 1.00 44.13 C ATOM 619 CD1 LEU A 39 -4.527 -31.126 5.317 1.00 32.14 C ATOM 620 CD2 LEU A 39 -6.027 -30.030 6.992 1.00 11.21 C ATOM 0 H LEU A 39 -4.066 -31.898 9.432 1.00 13.51 H new ATOM 0 HA LEU A 39 -4.484 -34.294 7.962 1.00 71.32 H new ATOM 0 HB2 LEU A 39 -5.809 -32.945 6.558 1.00 33.45 H new ATOM 0 HB3 LEU A 39 -5.989 -32.253 8.157 1.00 33.45 H new ATOM 0 HG LEU A 39 -4.023 -30.670 7.338 1.00 44.13 H new ATOM 0 HD11 LEU A 39 -4.254 -30.140 4.943 1.00 32.14 H new ATOM 0 HD12 LEU A 39 -3.683 -31.806 5.198 1.00 32.14 H new ATOM 0 HD13 LEU A 39 -5.380 -31.504 4.754 1.00 32.14 H new ATOM 0 HD21 LEU A 39 -5.732 -29.059 6.594 1.00 11.21 H new ATOM 0 HD22 LEU A 39 -6.918 -30.381 6.471 1.00 11.21 H new ATOM 0 HD23 LEU A 39 -6.243 -29.936 8.056 1.00 11.21 H new ATOM 632 N ARG A 40 -2.162 -32.223 6.895 1.00 23.32 N ATOM 633 CA ARG A 40 -1.030 -32.096 5.985 1.00 24.44 C ATOM 634 C ARG A 40 -0.064 -33.266 6.152 1.00 33.42 C ATOM 635 O ARG A 40 0.251 -33.966 5.190 1.00 43.13 O ATOM 636 CB ARG A 40 -0.296 -30.777 6.231 1.00 3.14 C ATOM 637 CG ARG A 40 0.806 -30.496 5.223 1.00 4.21 C ATOM 638 CD ARG A 40 0.249 -29.895 3.942 1.00 65.00 C ATOM 639 NE ARG A 40 0.835 -30.505 2.751 1.00 23.35 N ATOM 640 CZ ARG A 40 2.088 -30.300 2.362 1.00 65.25 C ATOM 641 NH1 ARG A 40 2.883 -29.505 3.064 1.00 23.35 N ATOM 642 NH2 ARG A 40 2.549 -30.891 1.267 1.00 60.55 N ATOM 0 H ARG A 40 -2.254 -31.458 7.563 1.00 23.32 H new ATOM 0 HA ARG A 40 -1.414 -32.106 4.965 1.00 24.44 H new ATOM 0 HB2 ARG A 40 -1.017 -29.960 6.206 1.00 3.14 H new ATOM 0 HB3 ARG A 40 0.134 -30.792 7.232 1.00 3.14 H new ATOM 0 HG2 ARG A 40 1.535 -29.813 5.660 1.00 4.21 H new ATOM 0 HG3 ARG A 40 1.334 -31.421 4.992 1.00 4.21 H new ATOM 0 HD2 ARG A 40 -0.833 -30.025 3.921 1.00 65.00 H new ATOM 0 HD3 ARG A 40 0.441 -28.822 3.932 1.00 65.00 H new ATOM 0 HE ARG A 40 0.250 -31.122 2.188 1.00 23.35 H new ATOM 0 HH11 ARG A 40 2.533 -29.048 3.906 1.00 23.35 H new ATOM 0 HH12 ARG A 40 3.845 -29.350 2.762 1.00 23.35 H new ATOM 0 HH21 ARG A 40 1.941 -31.503 0.723 1.00 60.55 H new ATOM 0 HH22 ARG A 40 3.512 -30.733 0.969 1.00 60.55 H new ATOM 656 N SER A 41 0.401 -33.472 7.380 1.00 24.31 N ATOM 657 CA SER A 41 1.334 -34.554 7.672 1.00 20.54 C ATOM 658 C SER A 41 0.722 -35.908 7.325 1.00 34.04 C ATOM 659 O SER A 41 1.392 -36.784 6.776 1.00 13.42 O ATOM 660 CB SER A 41 1.734 -34.526 9.149 1.00 61.42 C ATOM 661 OG SER A 41 2.350 -33.296 9.487 1.00 44.01 O ATOM 0 H SER A 41 0.147 -32.904 8.188 1.00 24.31 H new ATOM 0 HA SER A 41 2.223 -34.409 7.059 1.00 20.54 H new ATOM 0 HB2 SER A 41 0.852 -34.677 9.771 1.00 61.42 H new ATOM 0 HB3 SER A 41 2.417 -35.349 9.360 1.00 61.42 H new ATOM 0 HG SER A 41 1.660 -32.623 9.665 1.00 44.01 H new ATOM 667 N LEU A 42 -0.556 -36.073 7.650 1.00 51.43 N ATOM 668 CA LEU A 42 -1.261 -37.319 7.373 1.00 72.40 C ATOM 669 C LEU A 42 -1.289 -37.609 5.876 1.00 41.54 C ATOM 670 O LEU A 42 -1.008 -38.726 5.444 1.00 64.11 O ATOM 671 CB LEU A 42 -2.689 -37.252 7.917 1.00 32.35 C ATOM 672 CG LEU A 42 -2.928 -37.942 9.261 1.00 73.42 C ATOM 673 CD1 LEU A 42 -1.933 -37.449 10.299 1.00 2.02 C ATOM 674 CD2 LEU A 42 -4.356 -37.708 9.734 1.00 25.21 C ATOM 0 H LEU A 42 -1.125 -35.359 8.106 1.00 51.43 H new ATOM 0 HA LEU A 42 -0.726 -38.128 7.871 1.00 72.40 H new ATOM 0 HB2 LEU A 42 -2.971 -36.204 8.014 1.00 32.35 H new ATOM 0 HB3 LEU A 42 -3.359 -37.695 7.180 1.00 32.35 H new ATOM 0 HG LEU A 42 -2.781 -39.014 9.128 1.00 73.42 H new ATOM 0 HD11 LEU A 42 -2.119 -37.951 11.248 1.00 2.02 H new ATOM 0 HD12 LEU A 42 -0.919 -37.669 9.964 1.00 2.02 H new ATOM 0 HD13 LEU A 42 -2.047 -36.373 10.429 1.00 2.02 H new ATOM 0 HD21 LEU A 42 -4.508 -38.206 10.692 1.00 25.21 H new ATOM 0 HD22 LEU A 42 -4.530 -36.638 9.850 1.00 25.21 H new ATOM 0 HD23 LEU A 42 -5.053 -38.112 9.000 1.00 25.21 H new ATOM 686 N ALA A 43 -1.628 -36.593 5.088 1.00 3.12 N ATOM 687 CA ALA A 43 -1.688 -36.737 3.639 1.00 43.11 C ATOM 688 C ALA A 43 -0.334 -37.151 3.072 1.00 72.40 C ATOM 689 O ALA A 43 -0.221 -38.167 2.384 1.00 55.41 O ATOM 690 CB ALA A 43 -2.155 -35.438 2.998 1.00 31.35 C ATOM 0 H ALA A 43 -1.865 -35.662 5.429 1.00 3.12 H new ATOM 0 HA ALA A 43 -2.406 -37.523 3.407 1.00 43.11 H new ATOM 0 HB1 ALA A 43 -2.195 -35.560 1.916 1.00 31.35 H new ATOM 0 HB2 ALA A 43 -3.147 -35.184 3.371 1.00 31.35 H new ATOM 0 HB3 ALA A 43 -1.458 -34.638 3.247 1.00 31.35 H new ATOM 1082 N GLU A 67 -11.636 -39.408 -11.062 1.00 70.11 N ATOM 1083 CA GLU A 67 -11.135 -38.535 -12.117 1.00 71.01 C ATOM 1084 C GLU A 67 -12.022 -38.614 -13.356 1.00 74.30 C ATOM 1085 O GLU A 67 -12.514 -37.598 -13.848 1.00 70.41 O ATOM 1086 CB GLU A 67 -9.697 -38.911 -12.481 1.00 73.11 C ATOM 1087 CG GLU A 67 -8.649 -38.137 -11.699 1.00 72.50 C ATOM 1088 CD GLU A 67 -7.300 -38.830 -11.689 1.00 40.51 C ATOM 1089 OE1 GLU A 67 -7.081 -39.713 -12.545 1.00 4.43 O ATOM 1090 OE2 GLU A 67 -6.464 -38.489 -10.826 1.00 51.14 O ATOM 0 HA GLU A 67 -11.152 -37.511 -11.744 1.00 71.01 H new ATOM 0 HB2 GLU A 67 -9.554 -39.977 -12.307 1.00 73.11 H new ATOM 0 HB3 GLU A 67 -9.544 -38.739 -13.546 1.00 73.11 H new ATOM 0 HG2 GLU A 67 -8.539 -37.142 -12.131 1.00 72.50 H new ATOM 0 HG3 GLU A 67 -8.992 -38.003 -10.673 1.00 72.50 H new ATOM 1097 N LYS A 68 -12.223 -39.829 -13.856 1.00 43.12 N ATOM 1098 CA LYS A 68 -13.051 -40.044 -15.037 1.00 44.40 C ATOM 1099 C LYS A 68 -14.521 -39.784 -14.725 1.00 41.32 C ATOM 1100 O LYS A 68 -15.243 -39.202 -15.534 1.00 72.22 O ATOM 1101 CB LYS A 68 -12.873 -41.472 -15.557 1.00 33.14 C ATOM 1102 CG LYS A 68 -13.151 -42.538 -14.511 1.00 75.44 C ATOM 1103 CD LYS A 68 -12.950 -43.936 -15.073 1.00 3.11 C ATOM 1104 CE LYS A 68 -12.072 -44.781 -14.163 1.00 4.12 C ATOM 1105 NZ LYS A 68 -11.453 -45.922 -14.892 1.00 45.15 N ATOM 0 H LYS A 68 -11.823 -40.680 -13.461 1.00 43.12 H new ATOM 0 HA LYS A 68 -12.732 -39.342 -15.807 1.00 44.40 H new ATOM 0 HB2 LYS A 68 -13.538 -41.626 -16.407 1.00 33.14 H new ATOM 0 HB3 LYS A 68 -11.854 -41.592 -15.924 1.00 33.14 H new ATOM 0 HG2 LYS A 68 -12.492 -42.390 -13.656 1.00 75.44 H new ATOM 0 HG3 LYS A 68 -14.173 -42.434 -14.147 1.00 75.44 H new ATOM 0 HD2 LYS A 68 -13.918 -44.421 -15.200 1.00 3.11 H new ATOM 0 HD3 LYS A 68 -12.495 -43.870 -16.061 1.00 3.11 H new ATOM 0 HE2 LYS A 68 -11.289 -44.157 -13.733 1.00 4.12 H new ATOM 0 HE3 LYS A 68 -12.668 -45.161 -13.333 1.00 4.12 H new ATOM 0 HZ1 LYS A 68 -10.863 -46.473 -14.237 1.00 45.15 H new ATOM 0 HZ2 LYS A 68 -12.200 -46.532 -15.281 1.00 45.15 H new ATOM 0 HZ3 LYS A 68 -10.863 -45.559 -15.668 1.00 45.15 H new ATOM 1119 N ALA A 69 -14.957 -40.217 -13.547 1.00 21.11 N ATOM 1120 CA ALA A 69 -16.340 -40.028 -13.127 1.00 41.23 C ATOM 1121 C ALA A 69 -16.656 -38.549 -12.929 1.00 21.32 C ATOM 1122 O ALA A 69 -17.821 -38.158 -12.858 1.00 3.22 O ATOM 1123 CB ALA A 69 -16.614 -40.805 -11.848 1.00 54.41 C ATOM 0 H ALA A 69 -14.372 -40.701 -12.866 1.00 21.11 H new ATOM 0 HA ALA A 69 -16.989 -40.409 -13.916 1.00 41.23 H new ATOM 0 HB1 ALA A 69 -17.650 -40.655 -11.546 1.00 54.41 H new ATOM 0 HB2 ALA A 69 -16.437 -41.866 -12.022 1.00 54.41 H new ATOM 0 HB3 ALA A 69 -15.951 -40.451 -11.058 1.00 54.41 H new ATOM 1129 N SER A 70 -15.611 -37.732 -12.839 1.00 71.41 N ATOM 1130 CA SER A 70 -15.778 -36.297 -12.644 1.00 3.01 C ATOM 1131 C SER A 70 -15.366 -35.527 -13.895 1.00 64.21 C ATOM 1132 O SER A 70 -15.678 -34.345 -14.042 1.00 54.02 O ATOM 1133 CB SER A 70 -14.952 -35.825 -11.446 1.00 11.43 C ATOM 1134 OG SER A 70 -15.440 -36.383 -10.238 1.00 63.52 O ATOM 0 H SER A 70 -14.640 -38.040 -12.898 1.00 71.41 H new ATOM 0 HA SER A 70 -16.833 -36.102 -12.449 1.00 3.01 H new ATOM 0 HB2 SER A 70 -13.909 -36.108 -11.586 1.00 11.43 H new ATOM 0 HB3 SER A 70 -14.982 -34.737 -11.386 1.00 11.43 H new ATOM 0 HG SER A 70 -14.894 -36.067 -9.488 1.00 63.52 H new ATOM 1140 N LEU A 71 -14.662 -36.206 -14.794 1.00 44.13 N ATOM 1141 CA LEU A 71 -14.205 -35.587 -16.034 1.00 75.43 C ATOM 1142 C LEU A 71 -14.927 -36.185 -17.238 1.00 65.02 C ATOM 1143 O LEU A 71 -14.663 -35.812 -18.382 1.00 71.31 O ATOM 1144 CB LEU A 71 -12.694 -35.766 -16.190 1.00 53.33 C ATOM 1145 CG LEU A 71 -11.823 -35.024 -15.176 1.00 23.51 C ATOM 1146 CD1 LEU A 71 -10.642 -34.363 -15.869 1.00 40.33 C ATOM 1147 CD2 LEU A 71 -12.646 -33.992 -14.419 1.00 22.41 C ATOM 0 H LEU A 71 -14.395 -37.185 -14.688 1.00 44.13 H new ATOM 0 HA LEU A 71 -14.435 -34.523 -15.987 1.00 75.43 H new ATOM 0 HB2 LEU A 71 -12.466 -36.830 -16.126 1.00 53.33 H new ATOM 0 HB3 LEU A 71 -12.411 -35.439 -17.191 1.00 53.33 H new ATOM 0 HG LEU A 71 -11.438 -35.748 -14.459 1.00 23.51 H new ATOM 0 HD11 LEU A 71 -10.034 -33.840 -15.131 1.00 40.33 H new ATOM 0 HD12 LEU A 71 -10.038 -35.124 -16.364 1.00 40.33 H new ATOM 0 HD13 LEU A 71 -11.007 -33.651 -16.609 1.00 40.33 H new ATOM 0 HD21 LEU A 71 -12.009 -33.474 -13.702 1.00 22.41 H new ATOM 0 HD22 LEU A 71 -13.062 -33.271 -15.123 1.00 22.41 H new ATOM 0 HD23 LEU A 71 -13.458 -34.491 -13.889 1.00 22.41 H new ATOM 1159 N THR A 72 -15.840 -37.114 -16.973 1.00 52.24 N ATOM 1160 CA THR A 72 -16.600 -37.762 -18.034 1.00 75.42 C ATOM 1161 C THR A 72 -17.168 -36.738 -19.010 1.00 4.52 C ATOM 1162 O THR A 72 -17.298 -37.008 -20.203 1.00 32.34 O ATOM 1163 CB THR A 72 -17.757 -38.605 -17.463 1.00 5.45 C ATOM 1164 OG1 THR A 72 -18.065 -38.175 -16.132 1.00 4.51 O ATOM 1165 CG2 THR A 72 -17.396 -40.082 -17.452 1.00 61.55 C ATOM 0 H THR A 72 -16.071 -37.434 -16.033 1.00 52.24 H new ATOM 0 HA THR A 72 -15.907 -38.418 -18.562 1.00 75.42 H new ATOM 0 HB THR A 72 -18.629 -38.465 -18.102 1.00 5.45 H new ATOM 0 HG1 THR A 72 -17.492 -38.650 -15.494 1.00 4.51 H new ATOM 0 HG21 THR A 72 -18.228 -40.657 -17.045 1.00 61.55 H new ATOM 0 HG22 THR A 72 -17.189 -40.414 -18.470 1.00 61.55 H new ATOM 0 HG23 THR A 72 -16.512 -40.236 -16.834 1.00 61.55 H new ATOM 1173 N ASN A 73 -17.502 -35.559 -18.494 1.00 75.05 N ATOM 1174 CA ASN A 73 -18.056 -34.493 -19.321 1.00 42.34 C ATOM 1175 C ASN A 73 -17.748 -33.124 -18.722 1.00 2.01 C ATOM 1176 O ASN A 73 -18.442 -32.144 -18.996 1.00 3.35 O ATOM 1177 CB ASN A 73 -19.568 -34.668 -19.471 1.00 14.21 C ATOM 1178 CG ASN A 73 -20.110 -35.784 -18.599 1.00 72.22 C ATOM 1179 OD1 ASN A 73 -20.127 -36.948 -19.001 1.00 54.20 O ATOM 1180 ND2 ASN A 73 -20.556 -35.434 -17.399 1.00 14.34 N ATOM 0 H ASN A 73 -17.399 -35.318 -17.508 1.00 75.05 H new ATOM 0 HA ASN A 73 -17.591 -34.552 -20.305 1.00 42.34 H new ATOM 0 HB2 ASN A 73 -20.067 -33.734 -19.212 1.00 14.21 H new ATOM 0 HB3 ASN A 73 -19.805 -34.878 -20.514 1.00 14.21 H new ATOM 0 HD21 ASN A 73 -20.932 -36.142 -16.768 1.00 14.34 H new ATOM 0 HD22 ASN A 73 -20.523 -34.457 -17.107 1.00 14.34 H new ATOM 1187 N LEU A 74 -16.703 -33.064 -17.904 1.00 30.32 N ATOM 1188 CA LEU A 74 -16.302 -31.815 -17.265 1.00 64.54 C ATOM 1189 C LEU A 74 -14.928 -31.370 -17.756 1.00 41.14 C ATOM 1190 O LEU A 74 -14.147 -30.785 -17.005 1.00 1.00 O ATOM 1191 CB LEU A 74 -16.283 -31.980 -15.745 1.00 35.03 C ATOM 1192 CG LEU A 74 -17.540 -32.587 -15.120 1.00 73.22 C ATOM 1193 CD1 LEU A 74 -17.611 -32.260 -13.637 1.00 0.32 C ATOM 1194 CD2 LEU A 74 -18.786 -32.089 -15.838 1.00 73.42 C ATOM 0 H LEU A 74 -16.118 -33.865 -17.667 1.00 30.32 H new ATOM 0 HA LEU A 74 -17.030 -31.049 -17.532 1.00 64.54 H new ATOM 0 HB2 LEU A 74 -15.431 -32.605 -15.478 1.00 35.03 H new ATOM 0 HB3 LEU A 74 -16.114 -31.002 -15.295 1.00 35.03 H new ATOM 0 HG LEU A 74 -17.490 -33.670 -15.230 1.00 73.22 H new ATOM 0 HD11 LEU A 74 -18.512 -32.700 -13.210 1.00 0.32 H new ATOM 0 HD12 LEU A 74 -16.734 -32.666 -13.132 1.00 0.32 H new ATOM 0 HD13 LEU A 74 -17.638 -31.179 -13.504 1.00 0.32 H new ATOM 0 HD21 LEU A 74 -19.671 -32.531 -15.380 1.00 73.42 H new ATOM 0 HD22 LEU A 74 -18.841 -31.003 -15.760 1.00 73.42 H new ATOM 0 HD23 LEU A 74 -18.740 -32.376 -16.889 1.00 73.42 H new ATOM 1206 N THR A 75 -14.639 -31.648 -19.024 1.00 31.41 N ATOM 1207 CA THR A 75 -13.361 -31.276 -19.616 1.00 43.22 C ATOM 1208 C THR A 75 -13.250 -31.783 -21.050 1.00 12.44 C ATOM 1209 O THR A 75 -13.632 -32.909 -21.366 1.00 61.53 O ATOM 1210 CB THR A 75 -12.179 -31.828 -18.796 1.00 54.31 C ATOM 1211 OG1 THR A 75 -12.646 -32.814 -17.868 1.00 45.31 O ATOM 1212 CG2 THR A 75 -11.473 -30.710 -18.044 1.00 15.30 C ATOM 0 H THR A 75 -15.274 -32.130 -19.660 1.00 31.41 H new ATOM 0 HA THR A 75 -13.318 -30.187 -19.614 1.00 43.22 H new ATOM 0 HB THR A 75 -11.469 -32.285 -19.485 1.00 54.31 H new ATOM 0 HG1 THR A 75 -12.925 -33.617 -18.356 1.00 45.31 H new ATOM 0 HG21 THR A 75 -10.642 -31.124 -17.472 1.00 15.30 H new ATOM 0 HG22 THR A 75 -11.094 -29.976 -18.755 1.00 15.30 H new ATOM 0 HG23 THR A 75 -12.176 -30.228 -17.365 1.00 15.30 H new ATOM 1220 N PRO A 76 -12.715 -30.933 -21.939 1.00 12.11 N ATOM 1221 CA PRO A 76 -12.541 -31.274 -23.354 1.00 20.01 C ATOM 1222 C PRO A 76 -11.462 -32.330 -23.567 1.00 31.40 C ATOM 1223 O PRO A 76 -11.552 -33.145 -24.485 1.00 4.11 O ATOM 1224 CB PRO A 76 -12.122 -29.946 -23.990 1.00 32.21 C ATOM 1225 CG PRO A 76 -11.500 -29.173 -22.879 1.00 31.44 C ATOM 1226 CD PRO A 76 -12.239 -29.574 -21.632 1.00 3.05 C ATOM 0 HA PRO A 76 -13.446 -31.702 -23.784 1.00 20.01 H new ATOM 0 HB2 PRO A 76 -11.417 -30.103 -24.806 1.00 32.21 H new ATOM 0 HB3 PRO A 76 -12.980 -29.419 -24.407 1.00 32.21 H new ATOM 0 HG2 PRO A 76 -10.437 -29.400 -22.793 1.00 31.44 H new ATOM 0 HG3 PRO A 76 -11.584 -28.101 -23.055 1.00 31.44 H new ATOM 0 HD2 PRO A 76 -11.587 -29.564 -20.758 1.00 3.05 H new ATOM 0 HD3 PRO A 76 -13.066 -28.897 -21.420 1.00 3.05 H new ATOM 1234 N GLU A 77 -10.444 -32.311 -22.713 1.00 2.44 N ATOM 1235 CA GLU A 77 -9.348 -33.268 -22.809 1.00 41.40 C ATOM 1236 C GLU A 77 -9.879 -34.694 -22.923 1.00 52.52 C ATOM 1237 O GLU A 77 -9.589 -35.401 -23.889 1.00 51.21 O ATOM 1238 CB GLU A 77 -8.430 -33.150 -21.591 1.00 2.24 C ATOM 1239 CG GLU A 77 -7.178 -32.329 -21.849 1.00 42.50 C ATOM 1240 CD GLU A 77 -5.922 -33.177 -21.890 1.00 3.01 C ATOM 1241 OE1 GLU A 77 -5.681 -33.830 -22.927 1.00 33.31 O ATOM 1242 OE2 GLU A 77 -5.180 -33.188 -20.886 1.00 24.12 O ATOM 0 H GLU A 77 -10.355 -31.644 -21.947 1.00 2.44 H new ATOM 0 HA GLU A 77 -8.777 -33.038 -23.709 1.00 41.40 H new ATOM 0 HB2 GLU A 77 -8.987 -32.699 -20.769 1.00 2.24 H new ATOM 0 HB3 GLU A 77 -8.139 -34.149 -21.268 1.00 2.24 H new ATOM 0 HG2 GLU A 77 -7.285 -31.799 -22.795 1.00 42.50 H new ATOM 0 HG3 GLU A 77 -7.077 -31.574 -21.070 1.00 42.50 H new ATOM 1249 N LEU A 78 -10.658 -35.109 -21.931 1.00 30.53 N ATOM 1250 CA LEU A 78 -11.230 -36.451 -21.918 1.00 73.32 C ATOM 1251 C LEU A 78 -11.925 -36.759 -23.241 1.00 32.34 C ATOM 1252 O LEU A 78 -11.578 -37.720 -23.928 1.00 44.44 O ATOM 1253 CB LEU A 78 -12.222 -36.593 -20.763 1.00 35.15 C ATOM 1254 CG LEU A 78 -11.617 -36.898 -19.392 1.00 32.41 C ATOM 1255 CD1 LEU A 78 -10.920 -38.250 -19.405 1.00 41.24 C ATOM 1256 CD2 LEU A 78 -10.648 -35.800 -18.980 1.00 42.04 C ATOM 0 H LEU A 78 -10.908 -34.536 -21.125 1.00 30.53 H new ATOM 0 HA LEU A 78 -10.417 -37.164 -21.780 1.00 73.32 H new ATOM 0 HB2 LEU A 78 -12.795 -35.669 -20.687 1.00 35.15 H new ATOM 0 HB3 LEU A 78 -12.927 -37.386 -21.011 1.00 35.15 H new ATOM 0 HG LEU A 78 -12.424 -36.935 -18.660 1.00 32.41 H new ATOM 0 HD11 LEU A 78 -10.496 -38.450 -18.421 1.00 41.24 H new ATOM 0 HD12 LEU A 78 -11.641 -39.029 -19.654 1.00 41.24 H new ATOM 0 HD13 LEU A 78 -10.123 -38.242 -20.149 1.00 41.24 H new ATOM 0 HD21 LEU A 78 -10.227 -36.034 -18.002 1.00 42.04 H new ATOM 0 HD22 LEU A 78 -9.845 -35.730 -19.713 1.00 42.04 H new ATOM 0 HD23 LEU A 78 -11.177 -34.848 -18.929 1.00 42.04 H new ATOM 1268 N LYS A 79 -12.908 -35.937 -23.592 1.00 61.02 N ATOM 1269 CA LYS A 79 -13.650 -36.118 -24.834 1.00 73.10 C ATOM 1270 C LYS A 79 -12.702 -36.353 -26.005 1.00 71.54 C ATOM 1271 O LYS A 79 -12.844 -37.327 -26.745 1.00 51.42 O ATOM 1272 CB LYS A 79 -14.527 -34.895 -25.111 1.00 43.34 C ATOM 1273 CG LYS A 79 -15.821 -34.880 -24.316 1.00 24.42 C ATOM 1274 CD LYS A 79 -16.837 -33.927 -24.921 1.00 70.04 C ATOM 1275 CE LYS A 79 -16.727 -32.536 -24.316 1.00 23.24 C ATOM 1276 NZ LYS A 79 -16.812 -31.471 -25.353 1.00 34.12 N ATOM 0 H LYS A 79 -13.209 -35.138 -23.034 1.00 61.02 H new ATOM 0 HA LYS A 79 -14.286 -36.996 -24.723 1.00 73.10 H new ATOM 0 HB2 LYS A 79 -13.960 -33.993 -24.882 1.00 43.34 H new ATOM 0 HB3 LYS A 79 -14.764 -34.862 -26.174 1.00 43.34 H new ATOM 0 HG2 LYS A 79 -16.240 -35.886 -24.282 1.00 24.42 H new ATOM 0 HG3 LYS A 79 -15.613 -34.586 -23.287 1.00 24.42 H new ATOM 0 HD2 LYS A 79 -16.686 -33.869 -25.999 1.00 70.04 H new ATOM 0 HD3 LYS A 79 -17.843 -34.316 -24.761 1.00 70.04 H new ATOM 0 HE2 LYS A 79 -17.522 -32.394 -23.584 1.00 23.24 H new ATOM 0 HE3 LYS A 79 -15.782 -32.447 -23.781 1.00 23.24 H new ATOM 0 HZ1 LYS A 79 -16.733 -30.538 -24.900 1.00 34.12 H new ATOM 0 HZ2 LYS A 79 -16.038 -31.590 -26.037 1.00 34.12 H new ATOM 0 HZ3 LYS A 79 -17.725 -31.540 -25.847 1.00 34.12 H new ATOM 1290 N ALA A 80 -11.734 -35.457 -26.167 1.00 14.11 N ATOM 1291 CA ALA A 80 -10.761 -35.570 -27.246 1.00 10.50 C ATOM 1292 C ALA A 80 -10.020 -36.901 -27.180 1.00 53.25 C ATOM 1293 O ALA A 80 -9.677 -37.482 -28.210 1.00 33.54 O ATOM 1294 CB ALA A 80 -9.775 -34.412 -27.191 1.00 15.34 C ATOM 0 H ALA A 80 -11.603 -34.645 -25.564 1.00 14.11 H new ATOM 0 HA ALA A 80 -11.299 -35.530 -28.193 1.00 10.50 H new ATOM 0 HB1 ALA A 80 -9.054 -34.509 -28.003 1.00 15.34 H new ATOM 0 HB2 ALA A 80 -10.314 -33.470 -27.295 1.00 15.34 H new ATOM 0 HB3 ALA A 80 -9.250 -34.426 -26.236 1.00 15.34 H new ATOM 1300 N SER A 81 -9.776 -37.378 -25.964 1.00 40.40 N ATOM 1301 CA SER A 81 -9.071 -38.639 -25.765 1.00 15.45 C ATOM 1302 C SER A 81 -9.891 -39.809 -26.299 1.00 70.20 C ATOM 1303 O SER A 81 -9.432 -40.562 -27.158 1.00 3.43 O ATOM 1304 CB SER A 81 -8.769 -38.849 -24.280 1.00 11.14 C ATOM 1305 OG SER A 81 -7.389 -38.671 -24.010 1.00 14.31 O ATOM 0 H SER A 81 -10.056 -36.911 -25.102 1.00 40.40 H new ATOM 0 HA SER A 81 -8.132 -38.594 -26.317 1.00 15.45 H new ATOM 0 HB2 SER A 81 -9.353 -38.147 -23.684 1.00 11.14 H new ATOM 0 HB3 SER A 81 -9.075 -39.852 -23.982 1.00 11.14 H new ATOM 0 HG SER A 81 -7.222 -38.809 -23.054 1.00 14.31 H new ATOM 1311 N MET A 82 -11.107 -39.956 -25.784 1.00 13.20 N ATOM 1312 CA MET A 82 -11.992 -41.034 -26.210 1.00 13.22 C ATOM 1313 C MET A 82 -12.174 -41.022 -27.724 1.00 64.23 C ATOM 1314 O MET A 82 -12.167 -42.072 -28.368 1.00 3.32 O ATOM 1315 CB MET A 82 -13.352 -40.908 -25.521 1.00 34.23 C ATOM 1316 CG MET A 82 -13.277 -41.003 -24.005 1.00 40.14 C ATOM 1317 SD MET A 82 -14.862 -40.680 -23.210 1.00 35.54 S ATOM 1318 CE MET A 82 -14.807 -38.897 -23.055 1.00 11.13 C ATOM 0 H MET A 82 -11.502 -39.343 -25.071 1.00 13.20 H new ATOM 0 HA MET A 82 -11.534 -41.981 -25.924 1.00 13.22 H new ATOM 0 HB2 MET A 82 -13.802 -39.954 -25.795 1.00 34.23 H new ATOM 0 HB3 MET A 82 -14.013 -41.691 -25.894 1.00 34.23 H new ATOM 0 HG2 MET A 82 -12.930 -41.997 -23.724 1.00 40.14 H new ATOM 0 HG3 MET A 82 -12.538 -40.291 -23.636 1.00 40.14 H new ATOM 0 HE1 MET A 82 -14.982 -38.617 -22.016 1.00 11.13 H new ATOM 0 HE2 MET A 82 -13.828 -38.534 -23.369 1.00 11.13 H new ATOM 0 HE3 MET A 82 -15.578 -38.453 -23.685 1.00 11.13 H new ATOM 1328 N ASP A 83 -12.336 -39.830 -28.287 1.00 1.20 N ATOM 1329 CA ASP A 83 -12.518 -39.682 -29.726 1.00 53.03 C ATOM 1330 C ASP A 83 -11.315 -40.231 -30.486 1.00 22.32 C ATOM 1331 O ASP A 83 -11.461 -41.064 -31.380 1.00 30.02 O ATOM 1332 CB ASP A 83 -12.736 -38.211 -30.086 1.00 31.41 C ATOM 1333 CG ASP A 83 -14.022 -37.989 -30.858 1.00 44.51 C ATOM 1334 OD1 ASP A 83 -14.246 -38.705 -31.857 1.00 12.35 O ATOM 1335 OD2 ASP A 83 -14.803 -37.099 -30.464 1.00 15.44 O ATOM 0 H ASP A 83 -12.345 -38.952 -27.768 1.00 1.20 H new ATOM 0 HA ASP A 83 -13.400 -40.254 -30.016 1.00 53.03 H new ATOM 0 HB2 ASP A 83 -12.756 -37.616 -29.173 1.00 31.41 H new ATOM 0 HB3 ASP A 83 -11.893 -37.856 -30.680 1.00 31.41 H new ATOM 1340 N GLU A 84 -10.126 -39.758 -30.124 1.00 34.13 N ATOM 1341 CA GLU A 84 -8.898 -40.201 -30.773 1.00 73.21 C ATOM 1342 C GLU A 84 -8.642 -41.681 -30.500 1.00 41.45 C ATOM 1343 O GLU A 84 -8.056 -42.383 -31.325 1.00 71.24 O ATOM 1344 CB GLU A 84 -7.710 -39.369 -30.288 1.00 43.53 C ATOM 1345 CG GLU A 84 -7.902 -37.872 -30.466 1.00 50.22 C ATOM 1346 CD GLU A 84 -7.293 -37.355 -31.755 1.00 53.41 C ATOM 1347 OE1 GLU A 84 -6.211 -37.847 -32.139 1.00 13.33 O ATOM 1348 OE2 GLU A 84 -7.898 -36.458 -32.380 1.00 21.33 O ATOM 0 H GLU A 84 -9.988 -39.068 -29.385 1.00 34.13 H new ATOM 0 HA GLU A 84 -9.015 -40.062 -31.848 1.00 73.21 H new ATOM 0 HB2 GLU A 84 -7.535 -39.581 -29.233 1.00 43.53 H new ATOM 0 HB3 GLU A 84 -6.816 -39.679 -30.828 1.00 43.53 H new ATOM 0 HG2 GLU A 84 -8.967 -37.642 -30.454 1.00 50.22 H new ATOM 0 HG3 GLU A 84 -7.454 -37.349 -29.621 1.00 50.22 H new ATOM 1355 N LEU A 85 -9.084 -42.147 -29.338 1.00 1.12 N ATOM 1356 CA LEU A 85 -8.903 -43.543 -28.955 1.00 4.24 C ATOM 1357 C LEU A 85 -9.853 -44.449 -29.731 1.00 42.43 C ATOM 1358 O LEU A 85 -9.522 -45.594 -30.038 1.00 73.11 O ATOM 1359 CB LEU A 85 -9.131 -43.713 -27.452 1.00 34.52 C ATOM 1360 CG LEU A 85 -7.896 -43.561 -26.563 1.00 73.13 C ATOM 1361 CD1 LEU A 85 -8.146 -42.529 -25.475 1.00 2.22 C ATOM 1362 CD2 LEU A 85 -7.510 -44.900 -25.952 1.00 73.44 C ATOM 0 H LEU A 85 -9.570 -41.579 -28.644 1.00 1.12 H new ATOM 0 HA LEU A 85 -7.880 -43.830 -29.196 1.00 4.24 H new ATOM 0 HB2 LEU A 85 -9.875 -42.983 -27.133 1.00 34.52 H new ATOM 0 HB3 LEU A 85 -9.559 -44.701 -27.279 1.00 34.52 H new ATOM 0 HG LEU A 85 -7.068 -43.214 -27.181 1.00 73.13 H new ATOM 0 HD11 LEU A 85 -7.257 -42.434 -24.852 1.00 2.22 H new ATOM 0 HD12 LEU A 85 -8.373 -41.566 -25.932 1.00 2.22 H new ATOM 0 HD13 LEU A 85 -8.988 -42.846 -24.859 1.00 2.22 H new ATOM 0 HD21 LEU A 85 -6.629 -44.772 -25.323 1.00 73.44 H new ATOM 0 HD22 LEU A 85 -8.336 -45.276 -25.348 1.00 73.44 H new ATOM 0 HD23 LEU A 85 -7.288 -45.612 -26.747 1.00 73.44 H new ATOM 1374 N ARG A 86 -11.033 -43.926 -30.048 1.00 32.51 N ATOM 1375 CA ARG A 86 -12.031 -44.688 -30.790 1.00 10.40 C ATOM 1376 C ARG A 86 -11.634 -44.818 -32.258 1.00 35.04 C ATOM 1377 O ARG A 86 -11.625 -45.917 -32.812 1.00 2.31 O ATOM 1378 CB ARG A 86 -13.402 -44.017 -30.679 1.00 25.15 C ATOM 1379 CG ARG A 86 -14.538 -44.993 -30.423 1.00 72.43 C ATOM 1380 CD ARG A 86 -15.089 -44.851 -29.013 1.00 24.11 C ATOM 1381 NE ARG A 86 -14.168 -45.380 -28.010 1.00 72.41 N ATOM 1382 CZ ARG A 86 -14.542 -45.744 -26.789 1.00 32.25 C ATOM 1383 NH1 ARG A 86 -15.811 -45.637 -26.421 1.00 15.33 N ATOM 1384 NH2 ARG A 86 -13.646 -46.217 -25.932 1.00 63.11 N ATOM 0 H ARG A 86 -11.321 -42.979 -29.803 1.00 32.51 H new ATOM 0 HA ARG A 86 -12.086 -45.686 -30.356 1.00 10.40 H new ATOM 0 HB2 ARG A 86 -13.375 -43.285 -29.872 1.00 25.15 H new ATOM 0 HB3 ARG A 86 -13.605 -43.470 -31.599 1.00 25.15 H new ATOM 0 HG2 ARG A 86 -15.336 -44.821 -31.145 1.00 72.43 H new ATOM 0 HG3 ARG A 86 -14.184 -46.013 -30.575 1.00 72.43 H new ATOM 0 HD2 ARG A 86 -15.287 -43.799 -28.805 1.00 24.11 H new ATOM 0 HD3 ARG A 86 -16.042 -45.375 -28.942 1.00 24.11 H new ATOM 0 HE ARG A 86 -13.184 -45.475 -28.261 1.00 72.41 H new ATOM 0 HH11 ARG A 86 -16.503 -45.274 -27.076 1.00 15.33 H new ATOM 0 HH12 ARG A 86 -16.095 -45.917 -25.482 1.00 15.33 H new ATOM 0 HH21 ARG A 86 -12.668 -46.301 -26.211 1.00 63.11 H new ATOM 0 HH22 ARG A 86 -13.935 -46.496 -24.994 1.00 63.11 H new ATOM 1398 N GLN A 87 -11.309 -43.690 -32.880 1.00 0.52 N ATOM 1399 CA GLN A 87 -10.913 -43.678 -34.283 1.00 71.31 C ATOM 1400 C GLN A 87 -9.620 -44.459 -34.490 1.00 63.41 C ATOM 1401 O GLN A 87 -9.484 -45.210 -35.456 1.00 13.01 O ATOM 1402 CB GLN A 87 -10.738 -42.240 -34.774 1.00 75.21 C ATOM 1403 CG GLN A 87 -11.952 -41.360 -34.522 1.00 41.33 C ATOM 1404 CD GLN A 87 -12.401 -40.616 -35.765 1.00 34.15 C ATOM 1405 OE1 GLN A 87 -12.470 -41.187 -36.853 1.00 71.42 O ATOM 1406 NE2 GLN A 87 -12.711 -39.334 -35.608 1.00 63.31 N ATOM 0 H GLN A 87 -11.312 -42.772 -32.435 1.00 0.52 H new ATOM 0 HA GLN A 87 -11.703 -44.158 -34.861 1.00 71.31 H new ATOM 0 HB2 GLN A 87 -9.871 -41.799 -34.281 1.00 75.21 H new ATOM 0 HB3 GLN A 87 -10.524 -42.253 -35.843 1.00 75.21 H new ATOM 0 HG2 GLN A 87 -12.773 -41.976 -34.155 1.00 41.33 H new ATOM 0 HG3 GLN A 87 -11.718 -40.641 -33.737 1.00 41.33 H new ATOM 0 HE21 GLN A 87 -12.639 -38.901 -34.687 1.00 63.31 H new ATOM 0 HE22 GLN A 87 -13.021 -38.783 -36.408 1.00 63.31 H new ATOM 1415 N ALA A 88 -8.672 -44.277 -33.577 1.00 25.01 N ATOM 1416 CA ALA A 88 -7.390 -44.966 -33.659 1.00 4.13 C ATOM 1417 C ALA A 88 -7.558 -46.466 -33.445 1.00 21.35 C ATOM 1418 O ALA A 88 -6.980 -47.275 -34.170 1.00 74.03 O ATOM 1419 CB ALA A 88 -6.416 -44.391 -32.640 1.00 61.54 C ATOM 0 H ALA A 88 -8.768 -43.658 -32.772 1.00 25.01 H new ATOM 0 HA ALA A 88 -6.986 -44.812 -34.659 1.00 4.13 H new ATOM 0 HB1 ALA A 88 -5.463 -44.915 -32.712 1.00 61.54 H new ATOM 0 HB2 ALA A 88 -6.264 -43.331 -32.841 1.00 61.54 H new ATOM 0 HB3 ALA A 88 -6.823 -44.516 -31.637 1.00 61.54 H new ATOM 1425 N ALA A 89 -8.352 -46.831 -32.443 1.00 51.02 N ATOM 1426 CA ALA A 89 -8.597 -48.234 -32.135 1.00 31.32 C ATOM 1427 C ALA A 89 -9.418 -48.902 -33.232 1.00 72.44 C ATOM 1428 O ALA A 89 -9.125 -50.025 -33.642 1.00 52.15 O ATOM 1429 CB ALA A 89 -9.302 -48.364 -30.793 1.00 22.45 C ATOM 0 H ALA A 89 -8.836 -46.174 -31.831 1.00 51.02 H new ATOM 0 HA ALA A 89 -7.634 -48.741 -32.078 1.00 31.32 H new ATOM 0 HB1 ALA A 89 -9.479 -49.417 -30.575 1.00 22.45 H new ATOM 0 HB2 ALA A 89 -8.678 -47.932 -30.011 1.00 22.45 H new ATOM 0 HB3 ALA A 89 -10.255 -47.836 -30.830 1.00 22.45 H new ATOM 1435 N GLU A 90 -10.447 -48.205 -33.703 1.00 15.11 N ATOM 1436 CA GLU A 90 -11.311 -48.733 -34.752 1.00 54.12 C ATOM 1437 C GLU A 90 -10.555 -48.849 -36.073 1.00 11.05 C ATOM 1438 O GLU A 90 -10.580 -49.893 -36.725 1.00 10.42 O ATOM 1439 CB GLU A 90 -12.539 -47.837 -34.932 1.00 22.10 C ATOM 1440 CG GLU A 90 -13.664 -48.143 -33.958 1.00 23.35 C ATOM 1441 CD GLU A 90 -14.737 -47.072 -33.950 1.00 4.33 C ATOM 1442 OE1 GLU A 90 -14.620 -46.109 -34.736 1.00 40.20 O ATOM 1443 OE2 GLU A 90 -15.693 -47.197 -33.157 1.00 13.23 O ATOM 0 H GLU A 90 -10.703 -47.274 -33.375 1.00 15.11 H new ATOM 0 HA GLU A 90 -11.637 -49.729 -34.451 1.00 54.12 H new ATOM 0 HB2 GLU A 90 -12.239 -46.796 -34.812 1.00 22.10 H new ATOM 0 HB3 GLU A 90 -12.912 -47.946 -35.950 1.00 22.10 H new ATOM 0 HG2 GLU A 90 -14.114 -49.101 -34.218 1.00 23.35 H new ATOM 0 HG3 GLU A 90 -13.252 -48.247 -32.954 1.00 23.35 H new ATOM 1450 N SER A 91 -9.884 -47.769 -36.460 1.00 63.20 N ATOM 1451 CA SER A 91 -9.124 -47.747 -37.704 1.00 64.33 C ATOM 1452 C SER A 91 -8.087 -48.866 -37.727 1.00 60.53 C ATOM 1453 O SER A 91 -8.001 -49.628 -38.690 1.00 52.13 O ATOM 1454 CB SER A 91 -8.433 -46.394 -37.881 1.00 52.41 C ATOM 1455 OG SER A 91 -7.443 -46.454 -38.893 1.00 22.52 O ATOM 0 H SER A 91 -9.851 -46.898 -35.930 1.00 63.20 H new ATOM 0 HA SER A 91 -9.820 -47.902 -38.528 1.00 64.33 H new ATOM 0 HB2 SER A 91 -9.173 -45.635 -38.136 1.00 52.41 H new ATOM 0 HB3 SER A 91 -7.976 -46.090 -36.939 1.00 52.41 H new ATOM 0 HG SER A 91 -7.018 -45.576 -38.987 1.00 22.52 H new ATOM 1461 N MET A 92 -7.302 -48.959 -36.659 1.00 45.02 N ATOM 1462 CA MET A 92 -6.271 -49.985 -36.556 1.00 21.54 C ATOM 1463 C MET A 92 -6.890 -51.379 -36.553 1.00 73.54 C ATOM 1464 O MET A 92 -6.376 -52.300 -37.190 1.00 55.51 O ATOM 1465 CB MET A 92 -5.443 -49.781 -35.286 1.00 2.34 C ATOM 1466 CG MET A 92 -4.237 -48.877 -35.486 1.00 23.43 C ATOM 1467 SD MET A 92 -2.991 -49.087 -34.199 1.00 12.42 S ATOM 1468 CE MET A 92 -4.017 -49.081 -32.731 1.00 32.14 C ATOM 0 H MET A 92 -7.360 -48.337 -35.853 1.00 45.02 H new ATOM 0 HA MET A 92 -5.619 -49.897 -37.425 1.00 21.54 H new ATOM 0 HB2 MET A 92 -6.081 -49.356 -34.511 1.00 2.34 H new ATOM 0 HB3 MET A 92 -5.103 -50.751 -34.924 1.00 2.34 H new ATOM 0 HG2 MET A 92 -3.789 -49.085 -36.458 1.00 23.43 H new ATOM 0 HG3 MET A 92 -4.565 -47.838 -35.502 1.00 23.43 H new ATOM 0 HE1 MET A 92 -3.392 -48.934 -31.851 1.00 32.14 H new ATOM 0 HE2 MET A 92 -4.744 -48.272 -32.799 1.00 32.14 H new ATOM 0 HE3 MET A 92 -4.541 -50.034 -32.649 1.00 32.14 H new ATOM 1478 N LYS A 93 -7.997 -51.529 -35.833 1.00 61.24 N ATOM 1479 CA LYS A 93 -8.688 -52.810 -35.749 1.00 23.44 C ATOM 1480 C LYS A 93 -9.352 -53.160 -37.077 1.00 3.53 C ATOM 1481 O LYS A 93 -9.641 -54.325 -37.349 1.00 54.42 O ATOM 1482 CB LYS A 93 -9.737 -52.775 -34.635 1.00 51.34 C ATOM 1483 CG LYS A 93 -10.744 -53.909 -34.712 1.00 21.41 C ATOM 1484 CD LYS A 93 -11.983 -53.504 -35.493 1.00 2.13 C ATOM 1485 CE LYS A 93 -12.534 -54.665 -36.306 1.00 42.01 C ATOM 1486 NZ LYS A 93 -14.009 -54.568 -36.482 1.00 34.22 N ATOM 0 H LYS A 93 -8.435 -50.778 -35.299 1.00 61.24 H new ATOM 0 HA LYS A 93 -7.949 -53.578 -35.520 1.00 23.44 H new ATOM 0 HB2 LYS A 93 -9.231 -52.814 -33.670 1.00 51.34 H new ATOM 0 HB3 LYS A 93 -10.269 -51.825 -34.678 1.00 51.34 H new ATOM 0 HG2 LYS A 93 -10.282 -54.775 -35.185 1.00 21.41 H new ATOM 0 HG3 LYS A 93 -11.031 -54.211 -33.705 1.00 21.41 H new ATOM 0 HD2 LYS A 93 -12.748 -53.146 -34.804 1.00 2.13 H new ATOM 0 HD3 LYS A 93 -11.740 -52.675 -36.158 1.00 2.13 H new ATOM 0 HE2 LYS A 93 -12.052 -54.685 -37.284 1.00 42.01 H new ATOM 0 HE3 LYS A 93 -12.288 -55.604 -35.810 1.00 42.01 H new ATOM 0 HZ1 LYS A 93 -14.346 -55.378 -37.041 1.00 34.22 H new ATOM 0 HZ2 LYS A 93 -14.471 -54.575 -35.550 1.00 34.22 H new ATOM 0 HZ3 LYS A 93 -14.242 -53.684 -36.978 1.00 34.22 H new ATOM 1500 N ARG A 94 -9.589 -52.143 -37.900 1.00 23.33 N ATOM 1501 CA ARG A 94 -10.218 -52.344 -39.199 1.00 52.54 C ATOM 1502 C ARG A 94 -9.185 -52.748 -40.247 1.00 52.53 C ATOM 1503 O ARG A 94 -9.479 -53.524 -41.156 1.00 31.31 O ATOM 1504 CB ARG A 94 -10.939 -51.069 -39.643 1.00 4.12 C ATOM 1505 CG ARG A 94 -11.535 -51.160 -41.038 1.00 21.21 C ATOM 1506 CD ARG A 94 -12.759 -50.270 -41.180 1.00 13.33 C ATOM 1507 NE ARG A 94 -12.905 -49.751 -42.537 1.00 44.12 N ATOM 1508 CZ ARG A 94 -13.682 -48.721 -42.851 1.00 12.31 C ATOM 1509 NH1 ARG A 94 -14.381 -48.102 -41.909 1.00 23.10 N ATOM 1510 NH2 ARG A 94 -13.762 -48.307 -44.109 1.00 61.02 N ATOM 0 H ARG A 94 -9.355 -51.173 -37.690 1.00 23.33 H new ATOM 0 HA ARG A 94 -10.945 -53.150 -39.102 1.00 52.54 H new ATOM 0 HB2 ARG A 94 -11.734 -50.845 -38.932 1.00 4.12 H new ATOM 0 HB3 ARG A 94 -10.238 -50.235 -39.611 1.00 4.12 H new ATOM 0 HG2 ARG A 94 -10.786 -50.870 -41.775 1.00 21.21 H new ATOM 0 HG3 ARG A 94 -11.808 -52.193 -41.251 1.00 21.21 H new ATOM 0 HD2 ARG A 94 -13.651 -50.835 -40.910 1.00 13.33 H new ATOM 0 HD3 ARG A 94 -12.685 -49.438 -40.480 1.00 13.33 H new ATOM 0 HE ARG A 94 -12.381 -50.205 -43.285 1.00 44.12 H new ATOM 0 HH11 ARG A 94 -14.322 -48.417 -40.941 1.00 23.10 H new ATOM 0 HH12 ARG A 94 -14.977 -47.311 -42.153 1.00 23.10 H new ATOM 0 HH21 ARG A 94 -13.226 -48.780 -44.837 1.00 61.02 H new ATOM 0 HH22 ARG A 94 -14.359 -47.516 -44.348 1.00 61.02 H new ATOM 1524 N SER A 95 -7.975 -52.214 -40.114 1.00 60.32 N ATOM 1525 CA SER A 95 -6.900 -52.516 -41.052 1.00 5.43 C ATOM 1526 C SER A 95 -6.087 -53.718 -40.579 1.00 15.42 C ATOM 1527 O SER A 95 -5.350 -54.326 -41.354 1.00 64.21 O ATOM 1528 CB SER A 95 -5.984 -51.301 -41.218 1.00 73.12 C ATOM 1529 OG SER A 95 -6.653 -50.105 -40.857 1.00 31.11 O ATOM 0 H SER A 95 -7.715 -51.571 -39.367 1.00 60.32 H new ATOM 0 HA SER A 95 -7.349 -52.759 -42.015 1.00 5.43 H new ATOM 0 HB2 SER A 95 -5.095 -51.425 -40.600 1.00 73.12 H new ATOM 0 HB3 SER A 95 -5.646 -51.235 -42.252 1.00 73.12 H new ATOM 0 HG SER A 95 -6.756 -50.069 -39.883 1.00 31.11 H new ATOM 1535 N TYR A 96 -6.229 -54.053 -39.302 1.00 31.45 N ATOM 1536 CA TYR A 96 -5.508 -55.181 -38.723 1.00 44.31 C ATOM 1537 C TYR A 96 -6.377 -56.435 -38.709 1.00 44.54 C ATOM 1538 O TYR A 96 -5.921 -57.524 -39.056 1.00 65.22 O ATOM 1539 CB TYR A 96 -5.052 -54.847 -37.301 1.00 54.45 C ATOM 1540 CG TYR A 96 -4.480 -56.030 -36.555 1.00 70.30 C ATOM 1541 CD1 TYR A 96 -3.804 -57.040 -37.229 1.00 30.34 C ATOM 1542 CD2 TYR A 96 -4.616 -56.140 -35.177 1.00 1.53 C ATOM 1543 CE1 TYR A 96 -3.280 -58.124 -36.551 1.00 60.20 C ATOM 1544 CE2 TYR A 96 -4.094 -57.219 -34.491 1.00 1.13 C ATOM 1545 CZ TYR A 96 -3.427 -58.209 -35.182 1.00 40.32 C ATOM 1546 OH TYR A 96 -2.907 -59.286 -34.503 1.00 23.33 O ATOM 0 H TYR A 96 -6.837 -53.560 -38.648 1.00 31.45 H new ATOM 0 HA TYR A 96 -4.632 -55.375 -39.342 1.00 44.31 H new ATOM 0 HB2 TYR A 96 -4.301 -54.058 -37.345 1.00 54.45 H new ATOM 0 HB3 TYR A 96 -5.899 -54.450 -36.741 1.00 54.45 H new ATOM 0 HD1 TYR A 96 -3.686 -56.977 -38.301 1.00 30.34 H new ATOM 0 HD2 TYR A 96 -5.139 -55.368 -34.632 1.00 1.53 H new ATOM 0 HE1 TYR A 96 -2.758 -58.901 -37.090 1.00 60.20 H new ATOM 0 HE2 TYR A 96 -4.207 -57.287 -33.419 1.00 1.13 H new ATOM 0 HH TYR A 96 -3.096 -59.192 -33.546 1.00 23.33 H new