USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 582 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 37 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 39 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.6!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00256 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -53:sc= 0.027 USER MOD Single : A 52 THR OG1 : rot 170:sc= -1.12 USER MOD Single : A 62 THR OG1 : rot -34:sc= 1.12 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 35:sc= -0.766 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.618 K(o=-0.62,f=-0.011) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 180:sc= -0.92 (180deg=-0.92) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 31 -7.078 14.982 4.870 1.00 0.00 N ATOM 30 CA ASP A 31 -6.393 14.299 3.736 1.00 0.00 C ATOM 31 C ASP A 31 -5.694 13.038 4.248 1.00 0.00 C ATOM 32 O ASP A 31 -4.970 13.070 5.224 1.00 0.00 O ATOM 33 CB ASP A 31 -5.357 15.243 3.123 1.00 0.00 C ATOM 34 CG ASP A 31 -5.028 14.784 1.701 1.00 0.00 C ATOM 35 OD1 ASP A 31 -5.932 14.759 0.883 1.00 0.00 O ATOM 36 OD2 ASP A 31 -3.876 14.466 1.454 1.00 0.00 O ATOM 0 HA ASP A 31 -7.128 14.025 2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.742 16.263 3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.453 15.253 3.732 1.00 0.00 H new ATOM 41 N GLY A 32 -5.905 11.926 3.598 1.00 0.00 N ATOM 42 CA GLY A 32 -5.251 10.664 4.048 1.00 0.00 C ATOM 43 C GLY A 32 -3.860 10.558 3.423 1.00 0.00 C ATOM 44 O GLY A 32 -3.557 11.211 2.443 1.00 0.00 O ATOM 0 H GLY A 32 -6.501 11.837 2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.175 10.649 5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.857 9.805 3.760 1.00 0.00 H new ATOM 48 N VAL A 33 -3.009 9.741 3.980 1.00 0.00 N ATOM 49 CA VAL A 33 -1.638 9.594 3.416 1.00 0.00 C ATOM 50 C VAL A 33 -1.193 8.135 3.529 1.00 0.00 C ATOM 51 O VAL A 33 -0.725 7.696 4.561 1.00 0.00 O ATOM 52 CB VAL A 33 -0.668 10.484 4.196 1.00 0.00 C ATOM 53 CG1 VAL A 33 -0.994 11.954 3.925 1.00 0.00 C ATOM 54 CG2 VAL A 33 -0.807 10.200 5.693 1.00 0.00 C ATOM 0 H VAL A 33 -3.204 9.169 4.802 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.643 9.892 2.368 1.00 0.00 H new ATOM 0 HB VAL A 33 0.353 10.273 3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.303 12.588 4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.896 12.158 2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.015 12.165 4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.116 10.834 6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.828 10.411 6.010 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.576 9.153 5.888 1.00 0.00 H new ATOM 64 N VAL A 34 -1.334 7.378 2.475 1.00 0.00 N ATOM 65 CA VAL A 34 -0.919 5.948 2.523 1.00 0.00 C ATOM 66 C VAL A 34 0.485 5.805 1.932 1.00 0.00 C ATOM 67 O VAL A 34 0.854 6.503 1.008 1.00 0.00 O ATOM 68 CB VAL A 34 -1.903 5.104 1.711 1.00 0.00 C ATOM 69 CG1 VAL A 34 -1.556 3.623 1.869 1.00 0.00 C ATOM 70 CG2 VAL A 34 -3.325 5.351 2.220 1.00 0.00 C ATOM 0 H VAL A 34 -1.719 7.689 1.583 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.914 5.605 3.558 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.839 5.382 0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.257 3.021 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.543 3.446 1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.621 3.344 2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.028 4.750 1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.388 5.072 3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.573 6.407 2.109 1.00 0.00 H new ATOM 80 N ARG A 35 1.271 4.905 2.457 1.00 0.00 N ATOM 81 CA ARG A 35 2.650 4.718 1.924 1.00 0.00 C ATOM 82 C ARG A 35 2.871 3.242 1.586 1.00 0.00 C ATOM 83 O ARG A 35 2.589 2.365 2.379 1.00 0.00 O ATOM 84 CB ARG A 35 3.668 5.158 2.978 1.00 0.00 C ATOM 85 CG ARG A 35 3.227 6.489 3.590 1.00 0.00 C ATOM 86 CD ARG A 35 4.098 6.806 4.807 1.00 0.00 C ATOM 87 NE ARG A 35 3.712 8.133 5.362 1.00 0.00 N ATOM 88 CZ ARG A 35 3.879 8.383 6.632 1.00 0.00 C ATOM 89 NH1 ARG A 35 5.005 8.076 7.215 1.00 0.00 N ATOM 90 NH2 ARG A 35 2.919 8.940 7.320 1.00 0.00 N ATOM 0 H ARG A 35 1.018 4.291 3.232 1.00 0.00 H new ATOM 0 HA ARG A 35 2.776 5.319 1.024 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.753 4.399 3.755 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.654 5.263 2.525 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.312 7.286 2.852 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.179 6.436 3.884 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.976 6.033 5.566 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.150 6.811 4.523 1.00 0.00 H new ATOM 0 HE ARG A 35 3.317 8.847 4.749 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.755 7.641 6.678 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.135 8.272 8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.038 9.180 6.865 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.050 9.135 8.313 1.00 0.00 H new ATOM 104 N ILE A 36 3.373 2.961 0.415 1.00 0.00 N ATOM 105 CA ILE A 36 3.611 1.542 0.028 1.00 0.00 C ATOM 106 C ILE A 36 5.069 1.368 -0.401 1.00 0.00 C ATOM 107 O ILE A 36 5.467 1.793 -1.468 1.00 0.00 O ATOM 108 CB ILE A 36 2.689 1.169 -1.134 1.00 0.00 C ATOM 109 CG1 ILE A 36 1.237 1.459 -0.745 1.00 0.00 C ATOM 110 CG2 ILE A 36 2.843 -0.320 -1.451 1.00 0.00 C ATOM 111 CD1 ILE A 36 0.736 2.680 -1.517 1.00 0.00 C ATOM 0 H ILE A 36 3.629 3.652 -0.290 1.00 0.00 H new ATOM 0 HA ILE A 36 3.403 0.893 0.879 1.00 0.00 H new ATOM 0 HB ILE A 36 2.956 1.757 -2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.611 0.594 -0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.166 1.639 0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.186 -0.586 -2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.877 -0.528 -1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.576 -0.908 -0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.298 2.887 -1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.356 3.543 -1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.792 2.482 -2.587 1.00 0.00 H new ATOM 123 N GLN A 37 5.869 0.745 0.421 1.00 0.00 N ATOM 124 CA GLN A 37 7.300 0.545 0.058 1.00 0.00 C ATOM 125 C GLN A 37 7.571 -0.948 -0.142 1.00 0.00 C ATOM 126 O GLN A 37 6.672 -1.764 -0.093 1.00 0.00 O ATOM 127 CB GLN A 37 8.191 1.078 1.182 1.00 0.00 C ATOM 128 CG GLN A 37 7.862 0.348 2.486 1.00 0.00 C ATOM 129 CD GLN A 37 8.615 1.005 3.644 1.00 0.00 C ATOM 130 OE1 GLN A 37 9.341 1.959 3.448 1.00 0.00 O ATOM 131 NE2 GLN A 37 8.471 0.531 4.851 1.00 0.00 N ATOM 0 H GLN A 37 5.593 0.366 1.327 1.00 0.00 H new ATOM 0 HA GLN A 37 7.519 1.082 -0.865 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.241 0.934 0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.037 2.150 1.305 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.788 0.380 2.672 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.141 -0.703 2.407 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.861 -0.270 5.015 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.968 0.962 5.631 1.00 0.00 H new ATOM 140 N ARG A 38 8.804 -1.312 -0.368 1.00 0.00 N ATOM 141 CA ARG A 38 9.130 -2.751 -0.571 1.00 0.00 C ATOM 142 C ARG A 38 10.351 -3.122 0.273 1.00 0.00 C ATOM 143 O ARG A 38 11.430 -2.595 0.087 1.00 0.00 O ATOM 144 CB ARG A 38 9.438 -3.001 -2.049 1.00 0.00 C ATOM 145 CG ARG A 38 10.684 -2.210 -2.453 1.00 0.00 C ATOM 146 CD ARG A 38 10.696 -2.014 -3.970 1.00 0.00 C ATOM 147 NE ARG A 38 12.104 -1.977 -4.455 1.00 0.00 N ATOM 148 CZ ARG A 38 12.460 -2.701 -5.481 1.00 0.00 C ATOM 149 NH1 ARG A 38 12.093 -2.353 -6.684 1.00 0.00 N ATOM 150 NH2 ARG A 38 13.182 -3.774 -5.304 1.00 0.00 N ATOM 0 H ARG A 38 9.599 -0.675 -0.421 1.00 0.00 H new ATOM 0 HA ARG A 38 8.279 -3.362 -0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.598 -4.065 -2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.589 -2.701 -2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.692 -1.243 -1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.582 -2.740 -2.137 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.154 -2.825 -4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.186 -1.087 -4.232 1.00 0.00 H new ATOM 0 HE ARG A 38 12.790 -1.386 -3.985 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.528 -1.515 -6.822 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.371 -2.919 -7.486 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.468 -4.047 -4.364 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.460 -4.340 -6.106 1.00 0.00 H new ATOM 164 N GLN A 39 10.190 -4.025 1.201 1.00 0.00 N ATOM 165 CA GLN A 39 11.342 -4.428 2.056 1.00 0.00 C ATOM 166 C GLN A 39 12.001 -5.677 1.468 1.00 0.00 C ATOM 167 O GLN A 39 11.339 -6.633 1.118 1.00 0.00 O ATOM 168 CB GLN A 39 10.845 -4.732 3.471 1.00 0.00 C ATOM 169 CG GLN A 39 12.026 -5.152 4.349 1.00 0.00 C ATOM 170 CD GLN A 39 12.087 -4.254 5.586 1.00 0.00 C ATOM 171 OE1 GLN A 39 11.077 -3.757 6.041 1.00 0.00 O ATOM 172 NE2 GLN A 39 13.240 -4.024 6.153 1.00 0.00 N ATOM 0 H GLN A 39 9.311 -4.501 1.404 1.00 0.00 H new ATOM 0 HA GLN A 39 12.069 -3.617 2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.359 -3.853 3.894 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.099 -5.526 3.443 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.918 -6.194 4.648 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.956 -5.077 3.786 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.089 -4.441 5.771 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.292 -3.427 6.978 1.00 0.00 H new ATOM 181 N THR A 40 13.301 -5.676 1.355 1.00 0.00 N ATOM 182 CA THR A 40 14.001 -6.863 0.789 1.00 0.00 C ATOM 183 C THR A 40 14.928 -7.463 1.848 1.00 0.00 C ATOM 184 O THR A 40 15.429 -6.771 2.712 1.00 0.00 O ATOM 185 CB THR A 40 14.826 -6.437 -0.428 1.00 0.00 C ATOM 186 OG1 THR A 40 15.020 -5.030 -0.397 1.00 0.00 O ATOM 187 CG2 THR A 40 14.086 -6.824 -1.709 1.00 0.00 C ATOM 0 H THR A 40 13.908 -4.904 1.630 1.00 0.00 H new ATOM 0 HA THR A 40 13.265 -7.608 0.487 1.00 0.00 H new ATOM 0 HB THR A 40 15.794 -6.938 -0.405 1.00 0.00 H new ATOM 0 HG1 THR A 40 15.550 -4.756 -1.175 1.00 0.00 H new ATOM 0 HG21 THR A 40 14.674 -6.520 -2.575 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.938 -7.904 -1.732 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.118 -6.324 -1.735 1.00 0.00 H new ATOM 266 N LYS A 46 12.433 -12.346 -5.633 1.00 0.00 N ATOM 267 CA LYS A 46 11.209 -12.247 -4.789 1.00 0.00 C ATOM 268 C LYS A 46 11.185 -10.890 -4.082 1.00 0.00 C ATOM 269 O LYS A 46 12.202 -10.245 -3.922 1.00 0.00 O ATOM 270 CB LYS A 46 11.216 -13.365 -3.745 1.00 0.00 C ATOM 271 CG LYS A 46 10.749 -14.671 -4.392 1.00 0.00 C ATOM 272 CD LYS A 46 10.844 -15.808 -3.374 1.00 0.00 C ATOM 273 CE LYS A 46 10.276 -17.090 -3.986 1.00 0.00 C ATOM 274 NZ LYS A 46 10.263 -18.168 -2.957 1.00 0.00 N ATOM 0 HA LYS A 46 10.325 -12.345 -5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.219 -13.488 -3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.561 -13.104 -2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.722 -14.568 -4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.363 -14.897 -5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.882 -15.962 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.292 -15.548 -2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.266 -16.913 -4.355 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.879 -17.396 -4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.877 -19.040 -3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.233 -18.343 -2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.670 -17.875 -2.155 1.00 0.00 H new ATOM 288 N GLY A 47 10.032 -10.451 -3.658 1.00 0.00 N ATOM 289 CA GLY A 47 9.945 -9.136 -2.963 1.00 0.00 C ATOM 290 C GLY A 47 8.586 -9.010 -2.272 1.00 0.00 C ATOM 291 O GLY A 47 7.628 -9.658 -2.644 1.00 0.00 O ATOM 0 H GLY A 47 9.146 -10.946 -3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.747 -9.047 -2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.077 -8.325 -3.679 1.00 0.00 H new ATOM 295 N VAL A 48 8.495 -8.182 -1.268 1.00 0.00 N ATOM 296 CA VAL A 48 7.197 -8.015 -0.555 1.00 0.00 C ATOM 297 C VAL A 48 6.870 -6.525 -0.434 1.00 0.00 C ATOM 298 O VAL A 48 7.717 -5.676 -0.631 1.00 0.00 O ATOM 299 CB VAL A 48 7.301 -8.630 0.842 1.00 0.00 C ATOM 300 CG1 VAL A 48 7.039 -10.135 0.759 1.00 0.00 C ATOM 301 CG2 VAL A 48 8.705 -8.388 1.401 1.00 0.00 C ATOM 0 H VAL A 48 9.263 -7.614 -0.910 1.00 0.00 H new ATOM 0 HA VAL A 48 6.407 -8.516 -1.115 1.00 0.00 H new ATOM 0 HB VAL A 48 6.563 -8.169 1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.113 -10.573 1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.040 -10.309 0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.777 -10.597 0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.781 -8.826 2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.443 -8.850 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.893 -7.316 1.461 1.00 0.00 H new ATOM 311 N CYS A 49 5.648 -6.200 -0.112 1.00 0.00 N ATOM 312 CA CYS A 49 5.269 -4.765 0.020 1.00 0.00 C ATOM 313 C CYS A 49 4.465 -4.565 1.306 1.00 0.00 C ATOM 314 O CYS A 49 3.567 -5.324 1.612 1.00 0.00 O ATOM 315 CB CYS A 49 4.420 -4.349 -1.183 1.00 0.00 C ATOM 316 SG CYS A 49 5.503 -3.801 -2.525 1.00 0.00 S ATOM 0 H CYS A 49 4.896 -6.866 0.065 1.00 0.00 H new ATOM 0 HA CYS A 49 6.170 -4.153 0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.806 -5.186 -1.515 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.738 -3.547 -0.901 1.00 0.00 H new ATOM 0 HG CYS A 49 6.311 -2.883 -2.083 1.00 0.00 H new ATOM 322 N LEU A 50 4.778 -3.548 2.060 1.00 0.00 N ATOM 323 CA LEU A 50 4.031 -3.299 3.326 1.00 0.00 C ATOM 324 C LEU A 50 3.192 -2.028 3.182 1.00 0.00 C ATOM 325 O LEU A 50 3.630 -1.044 2.621 1.00 0.00 O ATOM 326 CB LEU A 50 5.023 -3.128 4.478 1.00 0.00 C ATOM 327 CG LEU A 50 4.896 -4.309 5.441 1.00 0.00 C ATOM 328 CD1 LEU A 50 6.252 -4.584 6.094 1.00 0.00 C ATOM 329 CD2 LEU A 50 3.868 -3.975 6.524 1.00 0.00 C ATOM 0 H LEU A 50 5.519 -2.878 1.855 1.00 0.00 H new ATOM 0 HA LEU A 50 3.376 -4.145 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.040 -3.069 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.828 -2.194 5.004 1.00 0.00 H new ATOM 0 HG LEU A 50 4.572 -5.192 4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.161 -5.426 6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.985 -4.822 5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.577 -3.701 6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.777 -4.816 7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.192 -3.091 7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.901 -3.779 6.060 1.00 0.00 H new ATOM 341 N ILE A 51 1.988 -2.041 3.684 1.00 0.00 N ATOM 342 CA ILE A 51 1.122 -0.834 3.577 1.00 0.00 C ATOM 343 C ILE A 51 0.587 -0.466 4.962 1.00 0.00 C ATOM 344 O ILE A 51 -0.265 -1.138 5.508 1.00 0.00 O ATOM 345 CB ILE A 51 -0.050 -1.129 2.639 1.00 0.00 C ATOM 346 CG1 ILE A 51 0.460 -1.214 1.198 1.00 0.00 C ATOM 347 CG2 ILE A 51 -1.086 -0.009 2.747 1.00 0.00 C ATOM 348 CD1 ILE A 51 -0.398 -2.205 0.410 1.00 0.00 C ATOM 0 H ILE A 51 1.566 -2.836 4.164 1.00 0.00 H new ATOM 0 HA ILE A 51 1.705 -0.003 3.180 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.510 -2.077 2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.422 -0.231 0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.503 -1.532 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.921 -0.220 2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.449 0.053 3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.627 0.939 2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.035 -2.265 -0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.337 -3.189 0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.435 -1.868 0.409 1.00 0.00 H new ATOM 360 N THR A 52 1.080 0.598 5.535 1.00 0.00 N ATOM 361 CA THR A 52 0.598 1.007 6.885 1.00 0.00 C ATOM 362 C THR A 52 0.754 2.521 7.044 1.00 0.00 C ATOM 363 O THR A 52 1.531 3.151 6.355 1.00 0.00 O ATOM 364 CB THR A 52 1.423 0.294 7.959 1.00 0.00 C ATOM 365 OG1 THR A 52 1.500 -1.091 7.651 1.00 0.00 O ATOM 366 CG2 THR A 52 0.759 0.480 9.323 1.00 0.00 C ATOM 0 H THR A 52 1.795 1.201 5.127 1.00 0.00 H new ATOM 0 HA THR A 52 -0.452 0.736 6.994 1.00 0.00 H new ATOM 0 HB THR A 52 2.427 0.717 7.987 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.155 -1.521 8.240 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.348 -0.028 10.087 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.701 1.543 9.557 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.246 0.058 9.299 1.00 0.00 H new ATOM 374 N GLY A 53 0.021 3.110 7.950 1.00 0.00 N ATOM 375 CA GLY A 53 0.129 4.582 8.153 1.00 0.00 C ATOM 376 C GLY A 53 -1.087 5.274 7.534 1.00 0.00 C ATOM 377 O GLY A 53 -1.087 6.469 7.311 1.00 0.00 O ATOM 0 H GLY A 53 -0.647 2.635 8.557 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.187 4.810 9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.045 4.956 7.696 1.00 0.00 H new ATOM 381 N VAL A 54 -2.125 4.534 7.254 1.00 0.00 N ATOM 382 CA VAL A 54 -3.339 5.151 6.650 1.00 0.00 C ATOM 383 C VAL A 54 -4.095 5.942 7.720 1.00 0.00 C ATOM 384 O VAL A 54 -4.361 5.449 8.798 1.00 0.00 O ATOM 385 CB VAL A 54 -4.246 4.053 6.092 1.00 0.00 C ATOM 386 CG1 VAL A 54 -5.392 4.689 5.304 1.00 0.00 C ATOM 387 CG2 VAL A 54 -3.434 3.145 5.166 1.00 0.00 C ATOM 0 H VAL A 54 -2.184 3.529 7.418 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.042 5.822 5.844 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.653 3.465 6.914 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.038 3.907 4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.970 5.338 5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.985 5.277 4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.079 2.362 4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.028 3.734 4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.616 2.692 5.726 1.00 0.00 H new ATOM 397 N ASP A 55 -4.444 7.166 7.431 1.00 0.00 N ATOM 398 CA ASP A 55 -5.182 7.986 8.431 1.00 0.00 C ATOM 399 C ASP A 55 -6.656 8.075 8.029 1.00 0.00 C ATOM 400 O ASP A 55 -7.071 8.998 7.357 1.00 0.00 O ATOM 401 CB ASP A 55 -4.582 9.393 8.481 1.00 0.00 C ATOM 402 CG ASP A 55 -4.865 10.021 9.846 1.00 0.00 C ATOM 403 OD1 ASP A 55 -4.825 9.299 10.829 1.00 0.00 O ATOM 404 OD2 ASP A 55 -5.118 11.214 9.886 1.00 0.00 O ATOM 0 H ASP A 55 -4.250 7.633 6.545 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.100 7.521 9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.507 9.348 8.306 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.008 10.010 7.690 1.00 0.00 H new ATOM 409 N LEU A 56 -7.450 7.122 8.434 1.00 0.00 N ATOM 410 CA LEU A 56 -8.895 7.153 8.074 1.00 0.00 C ATOM 411 C LEU A 56 -9.738 6.859 9.316 1.00 0.00 C ATOM 412 O LEU A 56 -9.236 6.811 10.422 1.00 0.00 O ATOM 413 CB LEU A 56 -9.177 6.095 7.005 1.00 0.00 C ATOM 414 CG LEU A 56 -9.217 6.758 5.628 1.00 0.00 C ATOM 415 CD1 LEU A 56 -9.165 5.683 4.541 1.00 0.00 C ATOM 416 CD2 LEU A 56 -10.512 7.561 5.487 1.00 0.00 C ATOM 0 H LEU A 56 -7.160 6.323 8.999 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.151 8.139 7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.405 5.326 7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.126 5.600 7.210 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.361 7.424 5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.194 6.156 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.244 5.109 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.021 5.016 4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.542 8.034 4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.367 6.894 5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.551 8.328 6.261 1.00 0.00 H new ATOM 428 N ASP A 57 -11.017 6.662 9.145 1.00 0.00 N ATOM 429 CA ASP A 57 -11.890 6.372 10.316 1.00 0.00 C ATOM 430 C ASP A 57 -11.641 4.941 10.796 1.00 0.00 C ATOM 431 O ASP A 57 -11.083 4.718 11.852 1.00 0.00 O ATOM 432 CB ASP A 57 -13.357 6.526 9.910 1.00 0.00 C ATOM 433 CG ASP A 57 -13.887 7.872 10.408 1.00 0.00 C ATOM 434 OD1 ASP A 57 -13.080 8.763 10.616 1.00 0.00 O ATOM 435 OD2 ASP A 57 -15.090 7.988 10.573 1.00 0.00 O ATOM 0 H ASP A 57 -11.495 6.690 8.244 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.661 7.070 11.121 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.454 6.464 8.826 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.949 5.713 10.330 1.00 0.00 H new ATOM 440 N ASP A 58 -12.050 3.967 10.029 1.00 0.00 N ATOM 441 CA ASP A 58 -11.835 2.552 10.444 1.00 0.00 C ATOM 442 C ASP A 58 -12.530 1.617 9.452 1.00 0.00 C ATOM 443 O ASP A 58 -11.896 0.827 8.781 1.00 0.00 O ATOM 444 CB ASP A 58 -12.419 2.337 11.842 1.00 0.00 C ATOM 445 CG ASP A 58 -11.299 1.954 12.810 1.00 0.00 C ATOM 446 OD1 ASP A 58 -10.257 1.527 12.341 1.00 0.00 O ATOM 447 OD2 ASP A 58 -11.502 2.093 14.005 1.00 0.00 O ATOM 0 H ASP A 58 -12.523 4.090 9.134 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.767 2.336 10.458 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.915 3.245 12.184 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.175 1.552 11.815 1.00 0.00 H new ATOM 452 N ALA A 59 -13.829 1.698 9.355 1.00 0.00 N ATOM 453 CA ALA A 59 -14.562 0.812 8.408 1.00 0.00 C ATOM 454 C ALA A 59 -14.155 1.148 6.972 1.00 0.00 C ATOM 455 O ALA A 59 -14.143 0.298 6.104 1.00 0.00 O ATOM 456 CB ALA A 59 -16.068 1.024 8.574 1.00 0.00 C ATOM 0 H ALA A 59 -14.414 2.339 9.891 1.00 0.00 H new ATOM 0 HA ALA A 59 -14.315 -0.228 8.620 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -16.605 0.376 7.881 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -16.359 0.783 9.596 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -16.314 2.065 8.363 1.00 0.00 H new ATOM 462 N GLU A 60 -13.822 2.383 6.713 1.00 0.00 N ATOM 463 CA GLU A 60 -13.416 2.772 5.333 1.00 0.00 C ATOM 464 C GLU A 60 -12.102 2.075 4.972 1.00 0.00 C ATOM 465 O GLU A 60 -11.882 1.692 3.840 1.00 0.00 O ATOM 466 CB GLU A 60 -13.225 4.289 5.265 1.00 0.00 C ATOM 467 CG GLU A 60 -14.376 4.914 4.474 1.00 0.00 C ATOM 468 CD GLU A 60 -14.005 4.969 2.991 1.00 0.00 C ATOM 469 OE1 GLU A 60 -13.231 4.130 2.562 1.00 0.00 O ATOM 470 OE2 GLU A 60 -14.503 5.850 2.309 1.00 0.00 O ATOM 0 H GLU A 60 -13.814 3.139 7.397 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.192 2.472 4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.192 4.707 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.273 4.525 4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.285 4.329 4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.584 5.918 4.845 1.00 0.00 H new ATOM 477 N LEU A 61 -11.227 1.909 5.925 1.00 0.00 N ATOM 478 CA LEU A 61 -9.929 1.237 5.635 1.00 0.00 C ATOM 479 C LEU A 61 -10.185 -0.212 5.217 1.00 0.00 C ATOM 480 O LEU A 61 -9.535 -0.739 4.336 1.00 0.00 O ATOM 481 CB LEU A 61 -9.053 1.258 6.890 1.00 0.00 C ATOM 482 CG LEU A 61 -8.250 2.559 6.931 1.00 0.00 C ATOM 483 CD1 LEU A 61 -8.561 3.311 8.227 1.00 0.00 C ATOM 484 CD2 LEU A 61 -6.755 2.236 6.876 1.00 0.00 C ATOM 0 H LEU A 61 -11.354 2.209 6.891 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.421 1.763 4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.675 1.174 7.781 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -8.378 0.402 6.890 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.521 3.180 6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.989 4.238 8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.626 3.540 8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.290 2.691 9.081 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.181 3.162 6.905 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.485 1.615 7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.532 1.700 5.953 1.00 0.00 H new ATOM 496 N THR A 62 -11.129 -0.861 5.842 1.00 0.00 N ATOM 497 CA THR A 62 -11.426 -2.276 5.481 1.00 0.00 C ATOM 498 C THR A 62 -11.832 -2.352 4.008 1.00 0.00 C ATOM 499 O THR A 62 -11.322 -3.158 3.255 1.00 0.00 O ATOM 500 CB THR A 62 -12.571 -2.796 6.354 1.00 0.00 C ATOM 501 OG1 THR A 62 -12.282 -2.527 7.719 1.00 0.00 O ATOM 502 CG2 THR A 62 -12.726 -4.304 6.150 1.00 0.00 C ATOM 0 H THR A 62 -11.707 -0.473 6.587 1.00 0.00 H new ATOM 0 HA THR A 62 -10.538 -2.887 5.645 1.00 0.00 H new ATOM 0 HB THR A 62 -13.499 -2.297 6.073 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.317 -2.601 7.870 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.541 -4.673 6.772 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.947 -4.509 5.102 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.800 -4.806 6.430 1.00 0.00 H new ATOM 510 N LYS A 63 -12.748 -1.521 3.591 1.00 0.00 N ATOM 511 CA LYS A 63 -13.186 -1.549 2.167 1.00 0.00 C ATOM 512 C LYS A 63 -11.986 -1.272 1.258 1.00 0.00 C ATOM 513 O LYS A 63 -11.861 -1.838 0.190 1.00 0.00 O ATOM 514 CB LYS A 63 -14.255 -0.478 1.941 1.00 0.00 C ATOM 515 CG LYS A 63 -15.004 -0.773 0.640 1.00 0.00 C ATOM 516 CD LYS A 63 -16.130 0.247 0.456 1.00 0.00 C ATOM 517 CE LYS A 63 -16.754 0.075 -0.930 1.00 0.00 C ATOM 518 NZ LYS A 63 -17.427 1.342 -1.332 1.00 0.00 N ATOM 0 H LYS A 63 -13.212 -0.825 4.174 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.600 -2.530 1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.952 -0.462 2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.793 0.508 1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.317 -0.729 -0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.414 -1.783 0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.888 0.110 1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.740 1.259 0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.985 -0.187 -1.657 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.474 -0.744 -0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.851 1.226 -2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.171 1.574 -0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.729 2.112 -1.359 1.00 0.00 H new ATOM 532 N LEU A 64 -11.103 -0.405 1.671 1.00 0.00 N ATOM 533 CA LEU A 64 -9.915 -0.093 0.829 1.00 0.00 C ATOM 534 C LEU A 64 -9.110 -1.372 0.586 1.00 0.00 C ATOM 535 O LEU A 64 -8.822 -1.731 -0.538 1.00 0.00 O ATOM 536 CB LEU A 64 -9.036 0.934 1.546 1.00 0.00 C ATOM 537 CG LEU A 64 -8.495 1.941 0.529 1.00 0.00 C ATOM 538 CD1 LEU A 64 -7.714 1.201 -0.558 1.00 0.00 C ATOM 539 CD2 LEU A 64 -9.663 2.697 -0.108 1.00 0.00 C ATOM 0 H LEU A 64 -11.153 0.101 2.555 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.245 0.315 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.613 1.450 2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.211 0.432 2.052 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.835 2.647 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.329 1.919 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.883 0.661 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.373 0.495 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.280 3.415 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.323 1.990 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.220 3.225 0.666 1.00 0.00 H new ATOM 551 N ALA A 65 -8.745 -2.062 1.632 1.00 0.00 N ATOM 552 CA ALA A 65 -7.959 -3.316 1.461 1.00 0.00 C ATOM 553 C ALA A 65 -8.754 -4.306 0.606 1.00 0.00 C ATOM 554 O ALA A 65 -8.195 -5.088 -0.136 1.00 0.00 O ATOM 555 CB ALA A 65 -7.681 -3.935 2.832 1.00 0.00 C ATOM 0 H ALA A 65 -8.957 -1.811 2.598 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.015 -3.087 0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.106 -4.853 2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.113 -3.231 3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.625 -4.163 3.326 1.00 0.00 H new ATOM 561 N ALA A 66 -10.055 -4.279 0.705 1.00 0.00 N ATOM 562 CA ALA A 66 -10.883 -5.219 -0.102 1.00 0.00 C ATOM 563 C ALA A 66 -10.712 -4.899 -1.589 1.00 0.00 C ATOM 564 O ALA A 66 -10.586 -5.783 -2.413 1.00 0.00 O ATOM 565 CB ALA A 66 -12.354 -5.066 0.287 1.00 0.00 C ATOM 0 H ALA A 66 -10.580 -3.647 1.309 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.562 -6.243 0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.960 -5.754 -0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.476 -5.293 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.676 -4.042 0.096 1.00 0.00 H new ATOM 571 N GLU A 67 -10.706 -3.642 -1.938 1.00 0.00 N ATOM 572 CA GLU A 67 -10.543 -3.266 -3.371 1.00 0.00 C ATOM 573 C GLU A 67 -9.079 -3.444 -3.780 1.00 0.00 C ATOM 574 O GLU A 67 -8.758 -3.546 -4.947 1.00 0.00 O ATOM 575 CB GLU A 67 -10.951 -1.804 -3.563 1.00 0.00 C ATOM 576 CG GLU A 67 -11.578 -1.625 -4.947 1.00 0.00 C ATOM 577 CD GLU A 67 -11.946 -0.155 -5.155 1.00 0.00 C ATOM 578 OE1 GLU A 67 -11.042 0.638 -5.361 1.00 0.00 O ATOM 579 OE2 GLU A 67 -13.125 0.153 -5.104 1.00 0.00 O ATOM 0 H GLU A 67 -10.807 -2.859 -1.293 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.174 -3.904 -3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.661 -1.509 -2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.080 -1.156 -3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.880 -1.949 -5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.466 -2.250 -5.039 1.00 0.00 H new ATOM 586 N LEU A 68 -8.189 -3.479 -2.826 1.00 0.00 N ATOM 587 CA LEU A 68 -6.746 -3.649 -3.156 1.00 0.00 C ATOM 588 C LEU A 68 -6.492 -5.086 -3.617 1.00 0.00 C ATOM 589 O LEU A 68 -5.943 -5.322 -4.675 1.00 0.00 O ATOM 590 CB LEU A 68 -5.904 -3.360 -1.911 1.00 0.00 C ATOM 591 CG LEU A 68 -5.113 -2.067 -2.115 1.00 0.00 C ATOM 592 CD1 LEU A 68 -4.209 -2.209 -3.342 1.00 0.00 C ATOM 593 CD2 LEU A 68 -6.085 -0.905 -2.330 1.00 0.00 C ATOM 0 H LEU A 68 -8.399 -3.397 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.472 -2.958 -3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.549 -3.270 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.222 -4.189 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.501 -1.872 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.645 -1.287 -3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.517 -3.037 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.820 -2.403 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.523 0.017 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.696 -1.100 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.729 -0.803 -1.457 1.00 0.00 H new ATOM 605 N LYS A 69 -6.885 -6.047 -2.828 1.00 0.00 N ATOM 606 CA LYS A 69 -6.665 -7.470 -3.215 1.00 0.00 C ATOM 607 C LYS A 69 -7.501 -7.803 -4.454 1.00 0.00 C ATOM 608 O LYS A 69 -7.219 -8.744 -5.169 1.00 0.00 O ATOM 609 CB LYS A 69 -7.090 -8.379 -2.061 1.00 0.00 C ATOM 610 CG LYS A 69 -8.475 -7.957 -1.567 1.00 0.00 C ATOM 611 CD LYS A 69 -9.216 -9.177 -1.016 1.00 0.00 C ATOM 612 CE LYS A 69 -8.440 -9.753 0.169 1.00 0.00 C ATOM 613 NZ LYS A 69 -9.370 -9.972 1.313 1.00 0.00 N ATOM 0 H LYS A 69 -7.350 -5.909 -1.931 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.609 -7.625 -3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.110 -9.418 -2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.367 -8.316 -1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.380 -7.196 -0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.043 -7.511 -2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.221 -8.895 -0.703 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.325 -9.932 -1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.968 -10.693 -0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.642 -9.071 0.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.842 -10.364 2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.801 -9.066 1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.116 -10.639 1.031 1.00 0.00 H new ATOM 627 N LYS A 70 -8.530 -7.043 -4.708 1.00 0.00 N ATOM 628 CA LYS A 70 -9.391 -7.320 -5.894 1.00 0.00 C ATOM 629 C LYS A 70 -8.552 -7.273 -7.174 1.00 0.00 C ATOM 630 O LYS A 70 -8.798 -8.005 -8.112 1.00 0.00 O ATOM 631 CB LYS A 70 -10.499 -6.268 -5.976 1.00 0.00 C ATOM 632 CG LYS A 70 -11.815 -6.871 -5.480 1.00 0.00 C ATOM 633 CD LYS A 70 -12.982 -5.992 -5.934 1.00 0.00 C ATOM 634 CE LYS A 70 -14.169 -6.878 -6.320 1.00 0.00 C ATOM 635 NZ LYS A 70 -15.380 -6.031 -6.504 1.00 0.00 N ATOM 0 H LYS A 70 -8.813 -6.241 -4.145 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.831 -8.312 -5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.235 -5.399 -5.373 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.610 -5.921 -7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.934 -7.882 -5.870 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.805 -6.948 -4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.269 -5.309 -5.134 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.681 -5.379 -6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.948 -7.420 -7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.348 -7.623 -5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.187 -6.632 -6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.593 -5.533 -5.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.206 -5.336 -7.258 1.00 0.00 H new ATOM 649 N LYS A 71 -7.569 -6.415 -7.229 1.00 0.00 N ATOM 650 CA LYS A 71 -6.731 -6.328 -8.459 1.00 0.00 C ATOM 651 C LYS A 71 -5.269 -6.631 -8.121 1.00 0.00 C ATOM 652 O LYS A 71 -4.365 -6.219 -8.821 1.00 0.00 O ATOM 653 CB LYS A 71 -6.834 -4.920 -9.047 1.00 0.00 C ATOM 654 CG LYS A 71 -6.435 -4.954 -10.524 1.00 0.00 C ATOM 655 CD LYS A 71 -6.699 -3.586 -11.155 1.00 0.00 C ATOM 656 CE LYS A 71 -6.771 -3.731 -12.677 1.00 0.00 C ATOM 657 NZ LYS A 71 -6.904 -2.382 -13.297 1.00 0.00 N ATOM 0 H LYS A 71 -7.311 -5.773 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.089 -7.058 -9.185 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.852 -4.544 -8.943 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.184 -4.237 -8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.381 -5.214 -10.621 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.002 -5.723 -11.047 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.633 -3.172 -10.774 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.907 -2.889 -10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.875 -4.228 -13.049 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.620 -4.356 -12.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.953 -2.479 -14.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.771 -1.925 -12.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.080 -1.800 -13.042 1.00 0.00 H new ATOM 671 N CYS A 72 -5.025 -7.349 -7.060 1.00 0.00 N ATOM 672 CA CYS A 72 -3.618 -7.673 -6.693 1.00 0.00 C ATOM 673 C CYS A 72 -3.340 -9.149 -6.984 1.00 0.00 C ATOM 674 O CYS A 72 -2.219 -9.541 -7.240 1.00 0.00 O ATOM 675 CB CYS A 72 -3.397 -7.393 -5.205 1.00 0.00 C ATOM 676 SG CYS A 72 -2.362 -5.921 -5.016 1.00 0.00 S ATOM 0 H CYS A 72 -5.737 -7.724 -6.433 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.940 -7.054 -7.281 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -4.354 -7.244 -4.706 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.920 -8.250 -4.730 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.176 -5.681 -3.752 1.00 0.00 H new ATOM 682 N GLY A 73 -4.354 -9.971 -6.949 1.00 0.00 N ATOM 683 CA GLY A 73 -4.148 -11.421 -7.227 1.00 0.00 C ATOM 684 C GLY A 73 -3.194 -12.013 -6.189 1.00 0.00 C ATOM 685 O GLY A 73 -2.195 -12.617 -6.524 1.00 0.00 O ATOM 0 H GLY A 73 -5.315 -9.701 -6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.103 -11.946 -7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.740 -11.555 -8.229 1.00 0.00 H new ATOM 689 N CYS A 74 -3.496 -11.848 -4.930 1.00 0.00 N ATOM 690 CA CYS A 74 -2.607 -12.403 -3.871 1.00 0.00 C ATOM 691 C CYS A 74 -3.154 -12.022 -2.494 1.00 0.00 C ATOM 692 O CYS A 74 -3.377 -10.863 -2.203 1.00 0.00 O ATOM 693 CB CYS A 74 -1.198 -11.829 -4.037 1.00 0.00 C ATOM 694 SG CYS A 74 -1.262 -10.026 -3.899 1.00 0.00 S ATOM 0 H CYS A 74 -4.320 -11.353 -4.589 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.570 -13.489 -3.959 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.534 -12.239 -3.276 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.788 -12.116 -5.005 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.169 -9.689 -3.031 1.00 0.00 H new ATOM 700 N GLY A 75 -3.374 -12.989 -1.645 1.00 0.00 N ATOM 701 CA GLY A 75 -3.907 -12.682 -0.287 1.00 0.00 C ATOM 702 C GLY A 75 -2.854 -13.029 0.767 1.00 0.00 C ATOM 703 O GLY A 75 -2.887 -14.085 1.367 1.00 0.00 O ATOM 0 H GLY A 75 -3.208 -13.978 -1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.171 -11.627 -0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.819 -13.251 -0.106 1.00 0.00 H new ATOM 707 N GLY A 76 -1.918 -12.148 0.995 1.00 0.00 N ATOM 708 CA GLY A 76 -0.861 -12.427 2.009 1.00 0.00 C ATOM 709 C GLY A 76 -1.434 -12.248 3.417 1.00 0.00 C ATOM 710 O GLY A 76 -1.332 -13.124 4.253 1.00 0.00 O ATOM 0 H GLY A 76 -1.840 -11.247 0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.485 -13.443 1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.016 -11.754 1.862 1.00 0.00 H new ATOM 714 N ALA A 77 -2.034 -11.121 3.689 1.00 0.00 N ATOM 715 CA ALA A 77 -2.607 -10.893 5.046 1.00 0.00 C ATOM 716 C ALA A 77 -3.178 -9.476 5.128 1.00 0.00 C ATOM 717 O ALA A 77 -2.493 -8.505 4.876 1.00 0.00 O ATOM 718 CB ALA A 77 -1.509 -11.061 6.098 1.00 0.00 C ATOM 0 H ALA A 77 -2.152 -10.350 3.032 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.401 -11.616 5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.928 -10.894 7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.102 -12.070 6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.714 -10.338 5.913 1.00 0.00 H new ATOM 724 N VAL A 78 -4.429 -9.350 5.477 1.00 0.00 N ATOM 725 CA VAL A 78 -5.042 -7.996 5.574 1.00 0.00 C ATOM 726 C VAL A 78 -5.699 -7.828 6.947 1.00 0.00 C ATOM 727 O VAL A 78 -6.559 -8.595 7.333 1.00 0.00 O ATOM 728 CB VAL A 78 -6.097 -7.838 4.477 1.00 0.00 C ATOM 729 CG1 VAL A 78 -6.635 -6.406 4.485 1.00 0.00 C ATOM 730 CG2 VAL A 78 -5.461 -8.135 3.117 1.00 0.00 C ATOM 0 H VAL A 78 -5.053 -10.126 5.699 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.270 -7.236 5.449 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.917 -8.533 4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.386 -6.295 3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.086 -6.192 5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.817 -5.709 4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.210 -8.023 2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.642 -7.438 2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.077 -9.155 3.110 1.00 0.00 H new ATOM 740 N LYS A 79 -5.297 -6.831 7.690 1.00 0.00 N ATOM 741 CA LYS A 79 -5.895 -6.614 9.039 1.00 0.00 C ATOM 742 C LYS A 79 -6.297 -5.145 9.192 1.00 0.00 C ATOM 743 O LYS A 79 -5.627 -4.255 8.708 1.00 0.00 O ATOM 744 CB LYS A 79 -4.865 -6.972 10.113 1.00 0.00 C ATOM 745 CG LYS A 79 -4.658 -8.487 10.137 1.00 0.00 C ATOM 746 CD LYS A 79 -3.532 -8.834 11.113 1.00 0.00 C ATOM 747 CE LYS A 79 -3.970 -9.999 12.002 1.00 0.00 C ATOM 748 NZ LYS A 79 -2.782 -10.826 12.359 1.00 0.00 N ATOM 0 H LYS A 79 -4.580 -6.157 7.420 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.777 -7.245 9.151 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.920 -6.468 9.908 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.206 -6.625 11.089 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.580 -8.986 10.437 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.411 -8.847 9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.629 -9.101 10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.287 -7.967 11.726 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.448 -9.621 12.906 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.708 -10.609 11.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.080 -11.618 12.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.344 -11.198 11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.092 -10.240 12.871 1.00 0.00 H new ATOM 762 N ASP A 80 -7.386 -4.882 9.865 1.00 0.00 N ATOM 763 CA ASP A 80 -7.824 -3.470 10.048 1.00 0.00 C ATOM 764 C ASP A 80 -6.719 -2.684 10.756 1.00 0.00 C ATOM 765 O ASP A 80 -6.453 -2.884 11.925 1.00 0.00 O ATOM 766 CB ASP A 80 -9.099 -3.434 10.893 1.00 0.00 C ATOM 767 CG ASP A 80 -10.291 -3.087 10.001 1.00 0.00 C ATOM 768 OD1 ASP A 80 -10.188 -3.293 8.803 1.00 0.00 O ATOM 769 OD2 ASP A 80 -11.287 -2.621 10.530 1.00 0.00 O ATOM 0 H ASP A 80 -7.989 -5.583 10.295 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.024 -3.022 9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.258 -4.400 11.372 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.000 -2.696 11.689 1.00 0.00 H new ATOM 774 N GLY A 81 -6.072 -1.794 10.057 1.00 0.00 N ATOM 775 CA GLY A 81 -4.982 -0.999 10.689 1.00 0.00 C ATOM 776 C GLY A 81 -3.670 -1.258 9.947 1.00 0.00 C ATOM 777 O GLY A 81 -2.872 -0.365 9.746 1.00 0.00 O ATOM 0 H GLY A 81 -6.251 -1.582 9.075 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.227 0.063 10.659 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.879 -1.272 11.739 1.00 0.00 H new ATOM 781 N VAL A 82 -3.443 -2.477 9.536 1.00 0.00 N ATOM 782 CA VAL A 82 -2.184 -2.795 8.806 1.00 0.00 C ATOM 783 C VAL A 82 -2.489 -3.770 7.667 1.00 0.00 C ATOM 784 O VAL A 82 -3.178 -4.754 7.848 1.00 0.00 O ATOM 785 CB VAL A 82 -1.182 -3.435 9.769 1.00 0.00 C ATOM 786 CG1 VAL A 82 0.090 -3.813 9.008 1.00 0.00 C ATOM 787 CG2 VAL A 82 -0.833 -2.440 10.878 1.00 0.00 C ATOM 0 H VAL A 82 -4.075 -3.265 9.675 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.760 -1.878 8.398 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.623 -4.330 10.207 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.803 -4.269 9.695 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.156 -4.522 8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.531 -2.918 8.569 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.119 -2.896 11.564 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.393 -1.545 10.438 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.738 -2.170 11.422 1.00 0.00 H new ATOM 797 N ILE A 83 -1.982 -3.505 6.494 1.00 0.00 N ATOM 798 CA ILE A 83 -2.244 -4.418 5.345 1.00 0.00 C ATOM 799 C ILE A 83 -0.913 -4.915 4.777 1.00 0.00 C ATOM 800 O ILE A 83 0.085 -4.222 4.812 1.00 0.00 O ATOM 801 CB ILE A 83 -3.012 -3.662 4.260 1.00 0.00 C ATOM 802 CG1 ILE A 83 -4.365 -3.210 4.814 1.00 0.00 C ATOM 803 CG2 ILE A 83 -3.236 -4.581 3.058 1.00 0.00 C ATOM 804 CD1 ILE A 83 -4.742 -1.859 4.203 1.00 0.00 C ATOM 0 H ILE A 83 -1.398 -2.696 6.282 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.835 -5.269 5.682 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.436 -2.790 3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.130 -3.951 4.584 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.316 -3.129 5.900 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.783 -4.042 2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.273 -4.904 2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.811 -5.453 3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.706 -1.537 4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.981 -1.120 4.456 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.808 -1.955 3.119 1.00 0.00 H new ATOM 816 N GLU A 84 -0.887 -6.112 4.255 1.00 0.00 N ATOM 817 CA GLU A 84 0.382 -6.649 3.689 1.00 0.00 C ATOM 818 C GLU A 84 0.103 -7.318 2.342 1.00 0.00 C ATOM 819 O GLU A 84 -0.841 -8.068 2.193 1.00 0.00 O ATOM 820 CB GLU A 84 0.974 -7.679 4.655 1.00 0.00 C ATOM 821 CG GLU A 84 2.501 -7.617 4.595 1.00 0.00 C ATOM 822 CD GLU A 84 3.093 -8.632 5.575 1.00 0.00 C ATOM 823 OE1 GLU A 84 2.664 -9.774 5.546 1.00 0.00 O ATOM 824 OE2 GLU A 84 3.966 -8.250 6.337 1.00 0.00 O ATOM 0 H GLU A 84 -1.689 -6.740 4.197 1.00 0.00 H new ATOM 0 HA GLU A 84 1.089 -5.831 3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.631 -7.480 5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.630 -8.679 4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.845 -7.830 3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.845 -6.613 4.843 1.00 0.00 H new ATOM 831 N ILE A 85 0.919 -7.053 1.358 1.00 0.00 N ATOM 832 CA ILE A 85 0.704 -7.675 0.022 1.00 0.00 C ATOM 833 C ILE A 85 1.911 -8.547 -0.331 1.00 0.00 C ATOM 834 O ILE A 85 3.027 -8.265 0.058 1.00 0.00 O ATOM 835 CB ILE A 85 0.540 -6.579 -1.032 1.00 0.00 C ATOM 836 CG1 ILE A 85 -0.471 -5.544 -0.536 1.00 0.00 C ATOM 837 CG2 ILE A 85 0.036 -7.197 -2.338 1.00 0.00 C ATOM 838 CD1 ILE A 85 -1.793 -6.239 -0.205 1.00 0.00 C ATOM 0 H ILE A 85 1.726 -6.432 1.423 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.196 -8.290 0.047 1.00 0.00 H new ATOM 0 HB ILE A 85 1.501 -6.096 -1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.084 -5.036 0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.630 -4.781 -1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.081 -6.416 -3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.755 -7.936 -2.692 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.926 -7.680 -2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.513 -5.501 0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.182 -6.726 -1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.627 -6.985 0.572 1.00 0.00 H new ATOM 850 N GLN A 86 1.698 -9.605 -1.065 1.00 0.00 N ATOM 851 CA GLN A 86 2.834 -10.493 -1.440 1.00 0.00 C ATOM 852 C GLN A 86 3.128 -10.342 -2.934 1.00 0.00 C ATOM 853 O GLN A 86 2.275 -10.563 -3.770 1.00 0.00 O ATOM 854 CB GLN A 86 2.466 -11.947 -1.136 1.00 0.00 C ATOM 855 CG GLN A 86 3.471 -12.531 -0.141 1.00 0.00 C ATOM 856 CD GLN A 86 3.027 -13.937 0.266 1.00 0.00 C ATOM 857 OE1 GLN A 86 3.833 -14.844 0.338 1.00 0.00 O ATOM 858 NE2 GLN A 86 1.770 -14.159 0.537 1.00 0.00 N ATOM 0 H GLN A 86 0.786 -9.893 -1.421 1.00 0.00 H new ATOM 0 HA GLN A 86 3.718 -10.215 -0.866 1.00 0.00 H new ATOM 0 HB2 GLN A 86 1.458 -12.000 -0.724 1.00 0.00 H new ATOM 0 HB3 GLN A 86 2.466 -12.533 -2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.464 -12.567 -0.589 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.542 -11.891 0.739 1.00 0.00 H new ATOM 0 HE21 GLN A 86 1.093 -13.398 0.477 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.464 -15.093 0.809 1.00 0.00 H new ATOM 867 N GLY A 87 4.331 -9.968 -3.276 1.00 0.00 N ATOM 868 CA GLY A 87 4.679 -9.804 -4.716 1.00 0.00 C ATOM 869 C GLY A 87 5.353 -8.447 -4.927 1.00 0.00 C ATOM 870 O GLY A 87 5.243 -7.554 -4.110 1.00 0.00 O ATOM 0 H GLY A 87 5.087 -9.769 -2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.345 -10.606 -5.034 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.780 -9.875 -5.329 1.00 0.00 H new ATOM 874 N ASP A 88 6.051 -8.284 -6.018 1.00 0.00 N ATOM 875 CA ASP A 88 6.731 -6.984 -6.280 1.00 0.00 C ATOM 876 C ASP A 88 5.940 -6.197 -7.326 1.00 0.00 C ATOM 877 O ASP A 88 5.918 -6.542 -8.491 1.00 0.00 O ATOM 878 CB ASP A 88 8.147 -7.244 -6.799 1.00 0.00 C ATOM 879 CG ASP A 88 8.999 -5.988 -6.609 1.00 0.00 C ATOM 880 OD1 ASP A 88 8.819 -5.320 -5.605 1.00 0.00 O ATOM 881 OD2 ASP A 88 9.818 -5.716 -7.472 1.00 0.00 O ATOM 0 H ASP A 88 6.180 -8.994 -6.739 1.00 0.00 H new ATOM 0 HA ASP A 88 6.784 -6.408 -5.356 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.593 -8.083 -6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.115 -7.518 -7.853 1.00 0.00 H new ATOM 886 N LYS A 89 5.291 -5.140 -6.921 1.00 0.00 N ATOM 887 CA LYS A 89 4.503 -4.332 -7.893 1.00 0.00 C ATOM 888 C LYS A 89 4.293 -2.923 -7.333 1.00 0.00 C ATOM 889 O LYS A 89 3.294 -2.283 -7.594 1.00 0.00 O ATOM 890 CB LYS A 89 3.144 -4.996 -8.124 1.00 0.00 C ATOM 891 CG LYS A 89 3.172 -5.773 -9.442 1.00 0.00 C ATOM 892 CD LYS A 89 1.754 -6.219 -9.802 1.00 0.00 C ATOM 893 CE LYS A 89 1.806 -7.167 -11.001 1.00 0.00 C ATOM 894 NZ LYS A 89 0.453 -7.264 -11.618 1.00 0.00 N ATOM 0 H LYS A 89 5.273 -4.801 -5.959 1.00 0.00 H new ATOM 0 HA LYS A 89 5.043 -4.271 -8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.911 -5.668 -7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.359 -4.241 -8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.581 -5.148 -10.236 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.825 -6.641 -9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.291 -6.718 -8.950 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.137 -5.352 -10.037 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.526 -6.804 -11.734 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.144 -8.153 -10.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.489 -7.909 -12.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.223 -7.629 -10.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.148 -6.322 -11.935 1.00 0.00 H new ATOM 908 N ARG A 90 5.228 -2.435 -6.565 1.00 0.00 N ATOM 909 CA ARG A 90 5.082 -1.069 -5.989 1.00 0.00 C ATOM 910 C ARG A 90 4.802 -0.069 -7.112 1.00 0.00 C ATOM 911 O ARG A 90 4.175 0.951 -6.906 1.00 0.00 O ATOM 912 CB ARG A 90 6.373 -0.679 -5.268 1.00 0.00 C ATOM 913 CG ARG A 90 6.254 0.754 -4.745 1.00 0.00 C ATOM 914 CD ARG A 90 7.646 1.291 -4.406 1.00 0.00 C ATOM 915 NE ARG A 90 8.465 1.366 -5.648 1.00 0.00 N ATOM 916 CZ ARG A 90 9.720 1.720 -5.581 1.00 0.00 C ATOM 917 NH1 ARG A 90 10.160 2.371 -4.539 1.00 0.00 N ATOM 918 NH2 ARG A 90 10.534 1.423 -6.557 1.00 0.00 N ATOM 0 H ARG A 90 6.087 -2.923 -6.312 1.00 0.00 H new ATOM 0 HA ARG A 90 4.254 -1.060 -5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.562 -1.364 -4.442 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.221 -0.760 -5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.781 1.388 -5.495 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.618 0.778 -3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.566 2.278 -3.950 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.130 0.642 -3.677 1.00 0.00 H new ATOM 0 HE ARG A 90 8.046 1.141 -6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.523 2.603 -3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.140 2.647 -4.487 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.190 0.915 -7.371 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.515 1.699 -6.505 1.00 0.00 H new ATOM 932 N ASP A 91 5.262 -0.353 -8.300 1.00 0.00 N ATOM 933 CA ASP A 91 5.021 0.583 -9.435 1.00 0.00 C ATOM 934 C ASP A 91 3.515 0.745 -9.651 1.00 0.00 C ATOM 935 O ASP A 91 3.000 1.844 -9.707 1.00 0.00 O ATOM 936 CB ASP A 91 5.661 0.021 -10.706 1.00 0.00 C ATOM 937 CG ASP A 91 5.665 1.095 -11.794 1.00 0.00 C ATOM 938 OD1 ASP A 91 5.290 2.216 -11.494 1.00 0.00 O ATOM 939 OD2 ASP A 91 6.044 0.779 -12.910 1.00 0.00 O ATOM 0 H ASP A 91 5.794 -1.192 -8.534 1.00 0.00 H new ATOM 0 HA ASP A 91 5.462 1.553 -9.205 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.680 -0.305 -10.499 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.109 -0.855 -11.047 1.00 0.00 H new ATOM 944 N LEU A 92 2.803 -0.343 -9.773 1.00 0.00 N ATOM 945 CA LEU A 92 1.331 -0.250 -9.985 1.00 0.00 C ATOM 946 C LEU A 92 0.661 0.233 -8.698 1.00 0.00 C ATOM 947 O LEU A 92 -0.419 0.789 -8.719 1.00 0.00 O ATOM 948 CB LEU A 92 0.781 -1.627 -10.361 1.00 0.00 C ATOM 949 CG LEU A 92 -0.647 -1.481 -10.887 1.00 0.00 C ATOM 950 CD1 LEU A 92 -0.783 -2.231 -12.213 1.00 0.00 C ATOM 951 CD2 LEU A 92 -1.627 -2.068 -9.868 1.00 0.00 C ATOM 0 H LEU A 92 3.177 -1.291 -9.735 1.00 0.00 H new ATOM 0 HA LEU A 92 1.124 0.455 -10.790 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.414 -2.088 -11.120 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.794 -2.285 -9.492 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.870 -0.425 -11.042 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.801 -2.126 -12.587 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.085 -1.815 -12.939 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.560 -3.287 -12.058 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.646 -1.965 -10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.403 -3.123 -9.713 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.532 -1.535 -8.922 1.00 0.00 H new ATOM 963 N LEU A 93 1.293 0.026 -7.575 1.00 0.00 N ATOM 964 CA LEU A 93 0.692 0.474 -6.287 1.00 0.00 C ATOM 965 C LEU A 93 0.567 1.999 -6.287 1.00 0.00 C ATOM 966 O LEU A 93 -0.467 2.547 -5.958 1.00 0.00 O ATOM 967 CB LEU A 93 1.588 0.036 -5.127 1.00 0.00 C ATOM 968 CG LEU A 93 1.134 -1.333 -4.619 1.00 0.00 C ATOM 969 CD1 LEU A 93 2.350 -2.131 -4.146 1.00 0.00 C ATOM 970 CD2 LEU A 93 0.162 -1.147 -3.452 1.00 0.00 C ATOM 0 H LEU A 93 2.200 -0.434 -7.494 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.296 0.028 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.627 -0.012 -5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.541 0.768 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 93 0.636 -1.872 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.026 -3.107 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.043 -2.264 -4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.848 -1.592 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.162 -2.122 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.660 -0.607 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.705 -0.578 -3.788 1.00 0.00 H new ATOM 982 N LYS A 94 1.611 2.689 -6.655 1.00 0.00 N ATOM 983 CA LYS A 94 1.552 4.178 -6.677 1.00 0.00 C ATOM 984 C LYS A 94 0.486 4.631 -7.677 1.00 0.00 C ATOM 985 O LYS A 94 -0.037 5.724 -7.588 1.00 0.00 O ATOM 986 CB LYS A 94 2.914 4.736 -7.094 1.00 0.00 C ATOM 987 CG LYS A 94 2.817 6.255 -7.253 1.00 0.00 C ATOM 988 CD LYS A 94 4.131 6.793 -7.825 1.00 0.00 C ATOM 989 CE LYS A 94 4.121 8.322 -7.777 1.00 0.00 C ATOM 990 NZ LYS A 94 5.310 8.849 -8.504 1.00 0.00 N ATOM 0 H LYS A 94 2.503 2.286 -6.942 1.00 0.00 H new ATOM 0 HA LYS A 94 1.298 4.547 -5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.666 4.485 -6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.233 4.281 -8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.989 6.510 -7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.610 6.720 -6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.974 6.406 -7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.259 6.452 -8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.206 8.705 -8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.133 8.664 -6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.304 9.888 -8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.178 8.494 -8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.279 8.533 -9.494 1.00 0.00 H new ATOM 1004 N SER A 95 0.161 3.800 -8.629 1.00 0.00 N ATOM 1005 CA SER A 95 -0.870 4.184 -9.633 1.00 0.00 C ATOM 1006 C SER A 95 -2.261 4.066 -9.007 1.00 0.00 C ATOM 1007 O SER A 95 -2.959 5.045 -8.832 1.00 0.00 O ATOM 1008 CB SER A 95 -0.775 3.254 -10.843 1.00 0.00 C ATOM 1009 OG SER A 95 -1.455 3.844 -11.943 1.00 0.00 O ATOM 0 H SER A 95 0.565 2.872 -8.755 1.00 0.00 H new ATOM 0 HA SER A 95 -0.701 5.213 -9.951 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.270 3.077 -11.099 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.214 2.285 -10.607 1.00 0.00 H new ATOM 0 HG SER A 95 -1.395 3.251 -12.721 1.00 0.00 H new ATOM 1015 N LEU A 96 -2.669 2.874 -8.667 1.00 0.00 N ATOM 1016 CA LEU A 96 -4.015 2.694 -8.053 1.00 0.00 C ATOM 1017 C LEU A 96 -4.205 3.720 -6.934 1.00 0.00 C ATOM 1018 O LEU A 96 -5.288 4.231 -6.725 1.00 0.00 O ATOM 1019 CB LEU A 96 -4.127 1.282 -7.474 1.00 0.00 C ATOM 1020 CG LEU A 96 -2.908 0.990 -6.598 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -3.192 1.436 -5.163 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -2.616 -0.512 -6.617 1.00 0.00 C ATOM 0 H LEU A 96 -2.129 2.017 -8.788 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.783 2.837 -8.813 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.040 1.190 -6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.192 0.551 -8.280 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.045 1.534 -6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.323 1.228 -4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.401 2.506 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.055 0.893 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.747 -0.722 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.479 -1.055 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.414 -0.830 -7.640 1.00 0.00 H new ATOM 1034 N LEU A 97 -3.162 4.026 -6.212 1.00 0.00 N ATOM 1035 CA LEU A 97 -3.284 5.018 -5.108 1.00 0.00 C ATOM 1036 C LEU A 97 -3.512 6.412 -5.698 1.00 0.00 C ATOM 1037 O LEU A 97 -4.347 7.163 -5.235 1.00 0.00 O ATOM 1038 CB LEU A 97 -1.998 5.019 -4.278 1.00 0.00 C ATOM 1039 CG LEU A 97 -2.347 4.882 -2.795 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -2.921 3.488 -2.532 1.00 0.00 C ATOM 1041 CD2 LEU A 97 -1.084 5.079 -1.955 1.00 0.00 C ATOM 0 H LEU A 97 -2.230 3.631 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.127 4.751 -4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.352 4.197 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.444 5.942 -4.448 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.086 5.636 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.170 3.390 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.820 3.346 -3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.182 2.733 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.331 4.982 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.345 4.324 -2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.674 6.072 -2.142 1.00 0.00 H new ATOM 1053 N GLU A 98 -2.775 6.763 -6.716 1.00 0.00 N ATOM 1054 CA GLU A 98 -2.949 8.107 -7.333 1.00 0.00 C ATOM 1055 C GLU A 98 -4.374 8.239 -7.875 1.00 0.00 C ATOM 1056 O GLU A 98 -4.870 9.328 -8.088 1.00 0.00 O ATOM 1057 CB GLU A 98 -1.950 8.276 -8.480 1.00 0.00 C ATOM 1058 CG GLU A 98 -1.991 9.719 -8.986 1.00 0.00 C ATOM 1059 CD GLU A 98 -0.733 10.009 -9.806 1.00 0.00 C ATOM 1060 OE1 GLU A 98 0.060 9.097 -9.981 1.00 0.00 O ATOM 1061 OE2 GLU A 98 -0.583 11.136 -10.247 1.00 0.00 O ATOM 0 H GLU A 98 -2.060 6.177 -7.147 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.773 8.877 -6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.945 8.027 -8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.191 7.588 -9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.880 9.876 -9.597 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.056 10.409 -8.145 1.00 0.00 H new ATOM 1068 N ALA A 99 -5.037 7.138 -8.100 1.00 0.00 N ATOM 1069 CA ALA A 99 -6.429 7.201 -8.628 1.00 0.00 C ATOM 1070 C ALA A 99 -7.328 7.910 -7.613 1.00 0.00 C ATOM 1071 O ALA A 99 -8.273 8.585 -7.971 1.00 0.00 O ATOM 1072 CB ALA A 99 -6.950 5.781 -8.865 1.00 0.00 C ATOM 0 H ALA A 99 -4.675 6.198 -7.941 1.00 0.00 H new ATOM 0 HA ALA A 99 -6.436 7.753 -9.568 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.968 5.827 -9.251 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.310 5.275 -9.588 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -6.943 5.229 -7.925 1.00 0.00 H new ATOM 1078 N LYS A 100 -7.042 7.763 -6.348 1.00 0.00 N ATOM 1079 CA LYS A 100 -7.880 8.429 -5.312 1.00 0.00 C ATOM 1080 C LYS A 100 -7.401 9.869 -5.116 1.00 0.00 C ATOM 1081 O LYS A 100 -8.107 10.701 -4.581 1.00 0.00 O ATOM 1082 CB LYS A 100 -7.759 7.668 -3.991 1.00 0.00 C ATOM 1083 CG LYS A 100 -8.972 6.751 -3.816 1.00 0.00 C ATOM 1084 CD LYS A 100 -8.846 5.552 -4.759 1.00 0.00 C ATOM 1085 CE LYS A 100 -9.779 4.434 -4.291 1.00 0.00 C ATOM 1086 NZ LYS A 100 -10.908 4.293 -5.253 1.00 0.00 N ATOM 0 H LYS A 100 -6.264 7.210 -5.988 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.921 8.433 -5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.841 7.080 -3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.697 8.370 -3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.037 6.409 -2.783 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.890 7.300 -4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.099 5.849 -5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.816 5.197 -4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.230 3.495 -4.218 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.162 4.658 -3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.542 3.533 -4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.436 5.187 -5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.534 4.060 -6.195 1.00 0.00 H new ATOM 1100 N GLY A 101 -6.206 10.170 -5.546 1.00 0.00 N ATOM 1101 CA GLY A 101 -5.683 11.557 -5.384 1.00 0.00 C ATOM 1102 C GLY A 101 -5.279 11.783 -3.926 1.00 0.00 C ATOM 1103 O GLY A 101 -5.249 12.900 -3.447 1.00 0.00 O ATOM 0 H GLY A 101 -5.570 9.516 -6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.825 11.712 -6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.443 12.280 -5.678 1.00 0.00 H new ATOM 1107 N MET A 102 -4.967 10.733 -3.217 1.00 0.00 N ATOM 1108 CA MET A 102 -4.565 10.890 -1.791 1.00 0.00 C ATOM 1109 C MET A 102 -3.107 11.349 -1.719 1.00 0.00 C ATOM 1110 O MET A 102 -2.451 11.521 -2.727 1.00 0.00 O ATOM 1111 CB MET A 102 -4.714 9.549 -1.068 1.00 0.00 C ATOM 1112 CG MET A 102 -6.176 9.101 -1.119 1.00 0.00 C ATOM 1113 SD MET A 102 -6.755 8.741 0.557 1.00 0.00 S ATOM 1114 CE MET A 102 -5.728 7.278 0.842 1.00 0.00 C ATOM 0 H MET A 102 -4.973 9.774 -3.563 1.00 0.00 H new ATOM 0 HA MET A 102 -5.204 11.633 -1.314 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.076 8.799 -1.536 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.388 9.644 -0.032 1.00 0.00 H new ATOM 0 HG2 MET A 102 -6.791 9.881 -1.568 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.275 8.216 -1.747 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.926 6.883 1.838 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.962 6.518 0.097 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.676 7.551 0.763 1.00 0.00 H new ATOM 1124 N LYS A 103 -2.596 11.549 -0.535 1.00 0.00 N ATOM 1125 CA LYS A 103 -1.181 11.997 -0.401 1.00 0.00 C ATOM 1126 C LYS A 103 -0.287 10.786 -0.129 1.00 0.00 C ATOM 1127 O LYS A 103 -0.031 10.433 1.005 1.00 0.00 O ATOM 1128 CB LYS A 103 -1.067 12.986 0.761 1.00 0.00 C ATOM 1129 CG LYS A 103 -0.608 14.346 0.231 1.00 0.00 C ATOM 1130 CD LYS A 103 -0.303 15.276 1.407 1.00 0.00 C ATOM 1131 CE LYS A 103 0.373 16.547 0.891 1.00 0.00 C ATOM 1132 NZ LYS A 103 0.556 17.505 2.017 1.00 0.00 N ATOM 0 H LYS A 103 -3.097 11.422 0.345 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.865 12.483 -1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.029 13.086 1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -0.358 12.614 1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.279 14.225 -0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.382 14.782 -0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -1.224 15.529 1.933 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.345 14.772 2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.338 16.303 0.446 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.233 17.002 0.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.016 18.369 1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -0.371 17.746 2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.151 17.069 2.750 1.00 0.00 H new ATOM 1146 N VAL A 104 0.191 10.146 -1.161 1.00 0.00 N ATOM 1147 CA VAL A 104 1.069 8.958 -0.960 1.00 0.00 C ATOM 1148 C VAL A 104 2.499 9.422 -0.678 1.00 0.00 C ATOM 1149 O VAL A 104 2.846 10.565 -0.902 1.00 0.00 O ATOM 1150 CB VAL A 104 1.052 8.093 -2.221 1.00 0.00 C ATOM 1151 CG1 VAL A 104 1.436 6.657 -1.861 1.00 0.00 C ATOM 1152 CG2 VAL A 104 -0.352 8.107 -2.830 1.00 0.00 C ATOM 0 H VAL A 104 0.012 10.394 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 104 0.704 8.375 -0.115 1.00 0.00 H new ATOM 0 HB VAL A 104 1.766 8.490 -2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.424 6.041 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.436 6.646 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.723 6.260 -1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.365 7.491 -3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.066 7.711 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.627 9.130 -3.088 1.00 0.00 H new ATOM 1162 N LYS A 105 3.332 8.545 -0.188 1.00 0.00 N ATOM 1163 CA LYS A 105 4.739 8.938 0.107 1.00 0.00 C ATOM 1164 C LYS A 105 5.695 7.936 -0.544 1.00 0.00 C ATOM 1165 O LYS A 105 6.794 7.717 -0.075 1.00 0.00 O ATOM 1166 CB LYS A 105 4.959 8.943 1.621 1.00 0.00 C ATOM 1167 CG LYS A 105 5.933 10.064 1.991 1.00 0.00 C ATOM 1168 CD LYS A 105 6.139 10.082 3.507 1.00 0.00 C ATOM 1169 CE LYS A 105 7.128 11.189 3.875 1.00 0.00 C ATOM 1170 NZ LYS A 105 7.378 11.164 5.344 1.00 0.00 N ATOM 0 H LYS A 105 3.099 7.574 0.021 1.00 0.00 H new ATOM 0 HA LYS A 105 4.930 9.934 -0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.010 9.087 2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.355 7.981 1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.887 9.913 1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.543 11.025 1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.187 10.248 4.012 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.515 9.116 3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 105 8.064 11.050 3.334 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.730 12.160 3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 8.051 11.917 5.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.483 11.317 5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.775 10.241 5.613 1.00 0.00 H new ATOM 1184 N LEU A 106 5.285 7.325 -1.622 1.00 0.00 N ATOM 1185 CA LEU A 106 6.171 6.339 -2.302 1.00 0.00 C ATOM 1186 C LEU A 106 6.817 5.428 -1.256 1.00 0.00 C ATOM 1187 O LEU A 106 6.320 5.277 -0.158 1.00 0.00 O ATOM 1188 CB LEU A 106 7.262 7.081 -3.076 1.00 0.00 C ATOM 1189 CG LEU A 106 7.199 6.689 -4.552 1.00 0.00 C ATOM 1190 CD1 LEU A 106 7.482 5.193 -4.696 1.00 0.00 C ATOM 1191 CD2 LEU A 106 5.803 6.997 -5.101 1.00 0.00 C ATOM 0 H LEU A 106 4.375 7.466 -2.061 1.00 0.00 H new ATOM 0 HA LEU A 106 5.581 5.737 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.130 8.158 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.242 6.838 -2.666 1.00 0.00 H new ATOM 0 HG LEU A 106 7.945 7.255 -5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.437 4.914 -5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.475 4.971 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.736 4.626 -4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.756 6.718 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.059 6.430 -4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.599 8.063 -4.999 1.00 0.00 H new ATOM 1203 N ALA A 107 7.923 4.820 -1.587 1.00 0.00 N ATOM 1204 CA ALA A 107 8.599 3.920 -0.611 1.00 0.00 C ATOM 1205 C ALA A 107 9.738 4.676 0.076 1.00 0.00 C ATOM 1206 O ALA A 107 10.040 4.447 1.230 1.00 0.00 O ATOM 1207 CB ALA A 107 9.166 2.704 -1.347 1.00 0.00 C ATOM 0 H ALA A 107 8.387 4.908 -2.491 1.00 0.00 H new ATOM 0 HA ALA A 107 7.879 3.589 0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.661 2.045 -0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.355 2.165 -1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 107 9.886 3.035 -2.095 1.00 0.00 H new