USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 ASN : amide:sc= 0.101 K(o=-4.1,f=-8!) USER MOD Set 1.2: A 108 SER OG : rot 14:sc= -4.22! USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= 0.39 (180deg=0.277) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.39 K(o=-0.39,f=-3!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= 0.0241 USER MOD Single : A 81 THR OG1 : rot 21:sc= 0.317! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= -0.0123 USER MOD Single : A 96 LYS NZ :NH3+ -118:sc= 1.55 (180deg=0.777) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.683 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.0047 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.65) USER MOD Single : A 106 GLN : amide:sc= -0.256 K(o=-0.26,f=-1.7!) USER MOD Single : A 107 ASN : amide:sc=-0.00286 X(o=-0.0029,f=-0.0072) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 115 SER OG : rot -143:sc= -0.874 USER MOD Single : A 117 MET CE :methyl -148:sc= -7.57! (180deg=-11.2!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -11.529 -12.524 6.410 1.00 0.00 N ATOM 70 CA PRO A 9 -10.207 -11.979 6.148 1.00 0.00 C ATOM 71 C PRO A 9 -9.292 -12.155 7.361 1.00 0.00 C ATOM 72 O PRO A 9 -9.672 -12.791 8.344 1.00 0.00 O ATOM 73 CB PRO A 9 -10.448 -10.521 5.793 1.00 0.00 C ATOM 74 CG PRO A 9 -11.834 -10.186 6.317 1.00 0.00 C ATOM 75 CD PRO A 9 -12.534 -11.494 6.652 1.00 0.00 C ATOM 0 HA PRO A 9 -9.692 -12.494 5.337 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.693 -9.879 6.247 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.391 -10.367 4.715 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.765 -9.552 7.201 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.401 -9.630 5.570 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.874 -11.508 7.688 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.414 -11.644 6.026 1.00 0.00 H new ATOM 80 N LYS A 10 -8.103 -11.581 7.254 1.00 0.00 N ATOM 81 CA LYS A 10 -7.130 -11.667 8.330 1.00 0.00 C ATOM 82 C LYS A 10 -6.776 -10.256 8.805 1.00 0.00 C ATOM 83 O LYS A 10 -6.501 -9.374 7.994 1.00 0.00 O ATOM 84 CB LYS A 10 -5.917 -12.490 7.891 1.00 0.00 C ATOM 85 CG LYS A 10 -4.627 -11.678 8.024 1.00 0.00 C ATOM 86 CD LYS A 10 -3.457 -12.395 7.346 1.00 0.00 C ATOM 87 CE LYS A 10 -2.140 -12.099 8.069 1.00 0.00 C ATOM 88 NZ LYS A 10 -0.995 -12.265 7.148 1.00 0.00 N ATOM 0 H LYS A 10 -7.791 -11.054 6.438 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.553 -12.195 9.185 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.847 -13.393 8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.045 -12.810 6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.764 -10.694 7.576 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.400 -11.519 9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.639 -13.470 7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.385 -12.077 6.306 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.154 -11.082 8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.028 -12.768 8.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.108 -12.245 7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.077 -13.175 6.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.993 -11.491 6.453 1.00 0.00 H new ATOM 98 N THR A 11 -6.796 -10.087 10.119 1.00 0.00 N ATOM 99 CA THR A 11 -6.480 -8.798 10.713 1.00 0.00 C ATOM 100 C THR A 11 -5.071 -8.817 11.310 1.00 0.00 C ATOM 101 O THR A 11 -4.615 -9.847 11.804 1.00 0.00 O ATOM 102 CB THR A 11 -7.569 -8.470 11.736 1.00 0.00 C ATOM 103 OG1 THR A 11 -8.772 -8.466 10.973 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.461 -7.040 12.269 1.00 0.00 C ATOM 0 H THR A 11 -7.026 -10.821 10.789 1.00 0.00 H new ATOM 0 HA THR A 11 -6.470 -8.008 9.962 1.00 0.00 H new ATOM 0 HB THR A 11 -7.509 -9.172 12.567 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.531 -8.263 11.559 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.257 -6.860 12.991 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.494 -6.904 12.754 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.555 -6.336 11.442 1.00 0.00 H new ATOM 112 N VAL A 12 -4.421 -7.664 11.244 1.00 0.00 N ATOM 113 CA VAL A 12 -3.072 -7.536 11.771 1.00 0.00 C ATOM 114 C VAL A 12 -2.889 -6.130 12.349 1.00 0.00 C ATOM 115 O VAL A 12 -3.177 -5.138 11.681 1.00 0.00 O ATOM 116 CB VAL A 12 -2.051 -7.874 10.685 1.00 0.00 C ATOM 117 CG1 VAL A 12 -1.697 -9.362 10.709 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.559 -7.454 9.303 1.00 0.00 C ATOM 0 H VAL A 12 -4.802 -6.811 10.834 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.908 -8.246 12.582 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.142 -7.309 10.894 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.969 -9.575 9.926 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.273 -9.619 11.679 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.597 -9.953 10.538 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.813 -7.706 8.549 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.489 -7.978 9.083 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.737 -6.379 9.292 1.00 0.00 H new ATOM 128 N THR A 13 -2.409 -6.091 13.583 1.00 0.00 N ATOM 129 CA THR A 13 -2.181 -4.823 14.257 1.00 0.00 C ATOM 130 C THR A 13 -0.682 -4.538 14.367 1.00 0.00 C ATOM 131 O THR A 13 0.134 -5.453 14.283 1.00 0.00 O ATOM 132 CB THR A 13 -2.892 -4.875 15.611 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.234 -5.229 15.286 1.00 0.00 O ATOM 134 CG2 THR A 13 -3.017 -3.496 16.260 1.00 0.00 C ATOM 0 H THR A 13 -2.172 -6.916 14.134 1.00 0.00 H new ATOM 0 HA THR A 13 -2.595 -3.991 13.687 1.00 0.00 H new ATOM 0 HB THR A 13 -2.349 -5.543 16.280 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.765 -5.287 16.108 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.529 -3.590 17.218 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.023 -3.077 16.419 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.588 -2.837 15.606 1.00 0.00 H new ATOM 142 N LEU A 14 -0.367 -3.266 14.556 1.00 0.00 N ATOM 143 CA LEU A 14 1.020 -2.849 14.678 1.00 0.00 C ATOM 144 C LEU A 14 1.127 -1.761 15.749 1.00 0.00 C ATOM 145 O LEU A 14 0.192 -0.987 15.950 1.00 0.00 O ATOM 146 CB LEU A 14 1.575 -2.428 13.316 1.00 0.00 C ATOM 147 CG LEU A 14 1.563 -3.503 12.227 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.261 -3.452 11.424 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.796 -3.385 11.328 1.00 0.00 C ATOM 0 H LEU A 14 -1.048 -2.510 14.628 1.00 0.00 H new ATOM 0 HA LEU A 14 1.642 -3.682 15.005 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.001 -1.572 12.961 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.602 -2.089 13.453 1.00 0.00 H new ATOM 0 HG LEU A 14 1.608 -4.480 12.708 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.277 -4.226 10.656 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.585 -3.620 12.091 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.163 -2.474 10.952 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.764 -4.160 10.562 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.806 -2.405 10.852 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.697 -3.506 11.929 1.00 0.00 H new ATOM 160 N LYS A 15 2.276 -1.736 16.409 1.00 0.00 N ATOM 161 CA LYS A 15 2.517 -0.757 17.454 1.00 0.00 C ATOM 162 C LYS A 15 3.885 -0.107 17.232 1.00 0.00 C ATOM 163 O LYS A 15 4.915 -0.769 17.341 1.00 0.00 O ATOM 164 CB LYS A 15 2.358 -1.395 18.835 1.00 0.00 C ATOM 165 CG LYS A 15 0.914 -1.846 19.067 1.00 0.00 C ATOM 166 CD LYS A 15 0.215 -0.942 20.086 1.00 0.00 C ATOM 167 CE LYS A 15 0.674 -1.261 21.509 1.00 0.00 C ATOM 168 NZ LYS A 15 -0.338 -2.084 22.208 1.00 0.00 N ATOM 0 H LYS A 15 3.050 -2.378 16.240 1.00 0.00 H new ATOM 0 HA LYS A 15 1.773 0.038 17.408 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.029 -2.250 18.924 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.648 -0.680 19.605 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.367 -1.828 18.124 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.903 -2.877 19.422 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.428 0.102 19.857 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.865 -1.071 20.011 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.626 -1.792 21.480 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.842 -0.335 22.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.010 -2.292 23.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.238 -1.564 22.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.478 -2.975 21.691 1.00 0.00 H new ATOM 178 N ARG A 16 3.850 1.181 16.923 1.00 0.00 N ATOM 179 CA ARG A 16 5.073 1.926 16.684 1.00 0.00 C ATOM 180 C ARG A 16 6.124 1.575 17.739 1.00 0.00 C ATOM 181 O ARG A 16 5.962 1.899 18.914 1.00 0.00 O ATOM 182 CB ARG A 16 4.814 3.434 16.714 1.00 0.00 C ATOM 183 CG ARG A 16 6.065 4.215 16.302 1.00 0.00 C ATOM 184 CD ARG A 16 5.740 5.226 15.200 1.00 0.00 C ATOM 185 NE ARG A 16 6.956 5.986 14.837 1.00 0.00 N ATOM 186 CZ ARG A 16 6.992 6.946 13.902 1.00 0.00 C ATOM 187 NH1 ARG A 16 5.880 7.268 13.231 1.00 0.00 N ATOM 188 NH2 ARG A 16 8.142 7.584 13.641 1.00 0.00 N ATOM 0 H ARG A 16 2.993 1.727 16.833 1.00 0.00 H new ATOM 0 HA ARG A 16 5.440 1.651 15.695 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.991 3.678 16.042 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.508 3.734 17.716 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.476 4.734 17.168 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.831 3.523 15.952 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.349 4.708 14.324 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.962 5.909 15.540 1.00 0.00 H new ATOM 0 HE ARG A 16 7.822 5.766 15.329 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.005 6.783 13.431 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.907 7.998 12.520 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.989 7.339 14.154 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.170 8.314 12.930 1.00 0.00 H new ATOM 264 N GLY A 22 7.196 -2.931 10.979 1.00 0.00 N ATOM 265 CA GLY A 22 7.855 -4.195 10.702 1.00 0.00 C ATOM 266 C GLY A 22 7.628 -4.625 9.250 1.00 0.00 C ATOM 267 O GLY A 22 8.014 -5.724 8.856 1.00 0.00 O ATOM 0 HA2 GLY A 22 8.924 -4.102 10.895 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.475 -4.963 11.376 1.00 0.00 H new ATOM 271 N PHE A 23 7.001 -3.736 8.494 1.00 0.00 N ATOM 272 CA PHE A 23 6.717 -4.007 7.096 1.00 0.00 C ATOM 273 C PHE A 23 6.809 -2.731 6.258 1.00 0.00 C ATOM 274 O PHE A 23 6.963 -1.638 6.801 1.00 0.00 O ATOM 275 CB PHE A 23 5.287 -4.546 7.027 1.00 0.00 C ATOM 276 CG PHE A 23 4.215 -3.457 6.954 1.00 0.00 C ATOM 277 CD1 PHE A 23 3.902 -2.735 8.063 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.574 -3.211 5.780 1.00 0.00 C ATOM 279 CE1 PHE A 23 2.907 -1.725 7.995 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.579 -2.200 5.712 1.00 0.00 C ATOM 281 CZ PHE A 23 2.267 -1.479 6.821 1.00 0.00 C ATOM 0 H PHE A 23 6.681 -2.826 8.825 1.00 0.00 H new ATOM 0 HA PHE A 23 7.441 -4.720 6.702 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.195 -5.192 6.154 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.101 -5.167 7.903 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.411 -2.930 8.996 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.822 -3.785 4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.658 -1.152 8.876 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.071 -2.004 4.780 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.510 -0.710 6.770 1.00 0.00 H new ATOM 290 N THR A 24 6.712 -2.912 4.950 1.00 0.00 N ATOM 291 CA THR A 24 6.783 -1.787 4.031 1.00 0.00 C ATOM 292 C THR A 24 6.094 -2.133 2.710 1.00 0.00 C ATOM 293 O THR A 24 5.945 -3.307 2.372 1.00 0.00 O ATOM 294 CB THR A 24 8.254 -1.404 3.866 1.00 0.00 C ATOM 295 OG1 THR A 24 8.273 -0.594 2.694 1.00 0.00 O ATOM 296 CG2 THR A 24 9.135 -2.601 3.507 1.00 0.00 C ATOM 0 H THR A 24 6.585 -3.820 4.503 1.00 0.00 H new ATOM 0 HA THR A 24 6.249 -0.922 4.423 1.00 0.00 H new ATOM 0 HB THR A 24 8.616 -0.952 4.789 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.190 -0.300 2.514 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.169 -2.273 3.402 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.070 -3.350 4.296 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.794 -3.034 2.567 1.00 0.00 H new ATOM 304 N LEU A 25 5.690 -1.090 2.000 1.00 0.00 N ATOM 305 CA LEU A 25 5.019 -1.269 0.723 1.00 0.00 C ATOM 306 C LEU A 25 5.969 -0.867 -0.407 1.00 0.00 C ATOM 307 O LEU A 25 7.099 -0.453 -0.156 1.00 0.00 O ATOM 308 CB LEU A 25 3.688 -0.516 0.706 1.00 0.00 C ATOM 309 CG LEU A 25 2.709 -0.858 1.831 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.752 -2.351 2.159 1.00 0.00 C ATOM 311 CD2 LEU A 25 2.968 0.008 3.066 1.00 0.00 C ATOM 0 H LEU A 25 5.814 -0.118 2.284 1.00 0.00 H new ATOM 0 HA LEU A 25 4.766 -2.318 0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.898 0.553 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.196 -0.709 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 25 1.700 -0.633 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.047 -2.568 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.481 -2.926 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.758 -2.625 2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.258 -0.255 3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.984 -0.162 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.847 1.059 2.805 1.00 0.00 H new ATOM 322 N ARG A 26 5.474 -1.002 -1.630 1.00 0.00 N ATOM 323 CA ARG A 26 6.263 -0.658 -2.799 1.00 0.00 C ATOM 324 C ARG A 26 5.660 0.557 -3.509 1.00 0.00 C ATOM 325 O ARG A 26 4.470 0.568 -3.823 1.00 0.00 O ATOM 326 CB ARG A 26 6.335 -1.830 -3.780 1.00 0.00 C ATOM 327 CG ARG A 26 7.731 -1.942 -4.398 1.00 0.00 C ATOM 328 CD ARG A 26 7.671 -2.628 -5.765 1.00 0.00 C ATOM 329 NE ARG A 26 8.557 -3.814 -5.775 1.00 0.00 N ATOM 330 CZ ARG A 26 8.279 -4.965 -5.151 1.00 0.00 C ATOM 331 NH1 ARG A 26 7.136 -5.095 -4.463 1.00 0.00 N ATOM 332 NH2 ARG A 26 9.142 -5.988 -5.215 1.00 0.00 N ATOM 0 H ARG A 26 4.536 -1.345 -1.835 1.00 0.00 H new ATOM 0 HA ARG A 26 7.271 -0.421 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.086 -2.757 -3.264 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.594 -1.696 -4.568 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.167 -0.948 -4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.384 -2.507 -3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.647 -2.927 -5.986 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.975 -1.930 -6.545 1.00 0.00 H new ATOM 0 HE ARG A 26 9.435 -3.750 -6.290 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.478 -4.317 -4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.924 -5.972 -3.987 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.011 -5.890 -5.739 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.930 -6.865 -4.739 1.00 0.00 H new ATOM 862 N ILE A 63 -1.068 -2.638 -3.613 1.00 0.00 N ATOM 863 CA ILE A 63 -0.094 -2.286 -2.594 1.00 0.00 C ATOM 864 C ILE A 63 0.976 -3.376 -2.520 1.00 0.00 C ATOM 865 O ILE A 63 2.143 -3.128 -2.819 1.00 0.00 O ATOM 866 CB ILE A 63 -0.790 -2.016 -1.260 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.233 -0.555 -1.157 1.00 0.00 C ATOM 868 CG2 ILE A 63 0.100 -2.429 -0.084 1.00 0.00 C ATOM 869 CD1 ILE A 63 -2.756 -0.449 -1.057 1.00 0.00 C ATOM 0 HA ILE A 63 0.414 -1.358 -2.856 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.690 -2.629 -1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.775 -0.093 -0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.883 -0.003 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.418 -2.227 0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.323 -3.494 -0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.030 -1.861 -0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.044 0.600 -0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.210 -0.890 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.100 -0.981 -0.170 1.00 0.00 H new ATOM 880 N PHE A 64 0.541 -4.563 -2.121 1.00 0.00 N ATOM 881 CA PHE A 64 1.448 -5.692 -2.004 1.00 0.00 C ATOM 882 C PHE A 64 2.625 -5.357 -1.087 1.00 0.00 C ATOM 883 O PHE A 64 3.465 -4.526 -1.426 1.00 0.00 O ATOM 884 CB PHE A 64 1.980 -5.986 -3.408 1.00 0.00 C ATOM 885 CG PHE A 64 0.956 -6.647 -4.335 1.00 0.00 C ATOM 886 CD1 PHE A 64 0.193 -7.677 -3.882 1.00 0.00 C ATOM 887 CD2 PHE A 64 0.810 -6.203 -5.612 1.00 0.00 C ATOM 888 CE1 PHE A 64 -0.755 -8.291 -4.742 1.00 0.00 C ATOM 889 CE2 PHE A 64 -0.139 -6.816 -6.472 1.00 0.00 C ATOM 890 CZ PHE A 64 -0.902 -7.847 -6.020 1.00 0.00 C ATOM 0 H PHE A 64 -0.428 -4.767 -1.875 1.00 0.00 H new ATOM 0 HA PHE A 64 0.923 -6.548 -1.580 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.316 -5.053 -3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.853 -6.634 -3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.308 -8.028 -2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.416 -5.384 -5.972 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.360 -9.110 -4.382 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.255 -6.463 -7.486 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.624 -8.313 -6.675 1.00 0.00 H new ATOM 899 N VAL A 65 2.648 -6.022 0.060 1.00 0.00 N ATOM 900 CA VAL A 65 3.708 -5.805 1.030 1.00 0.00 C ATOM 901 C VAL A 65 5.064 -6.019 0.354 1.00 0.00 C ATOM 902 O VAL A 65 5.262 -7.014 -0.344 1.00 0.00 O ATOM 903 CB VAL A 65 3.497 -6.709 2.246 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.766 -6.785 3.099 1.00 0.00 C ATOM 905 CG2 VAL A 65 2.304 -6.238 3.078 1.00 0.00 C ATOM 0 H VAL A 65 1.949 -6.711 0.339 1.00 0.00 H new ATOM 0 HA VAL A 65 3.686 -4.779 1.397 1.00 0.00 H new ATOM 0 HB VAL A 65 3.277 -7.713 1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.589 -7.434 3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.583 -7.189 2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.031 -5.787 3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.176 -6.898 3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.482 -5.220 3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.402 -6.260 2.466 1.00 0.00 H new ATOM 915 N LYS A 66 5.960 -5.071 0.584 1.00 0.00 N ATOM 916 CA LYS A 66 7.291 -5.144 0.005 1.00 0.00 C ATOM 917 C LYS A 66 8.118 -6.180 0.767 1.00 0.00 C ATOM 918 O LYS A 66 8.550 -7.179 0.193 1.00 0.00 O ATOM 919 CB LYS A 66 7.934 -3.757 -0.039 1.00 0.00 C ATOM 920 CG LYS A 66 9.112 -3.727 -1.013 1.00 0.00 C ATOM 921 CD LYS A 66 10.360 -3.147 -0.347 1.00 0.00 C ATOM 922 CE LYS A 66 11.632 -3.736 -0.961 1.00 0.00 C ATOM 923 NZ LYS A 66 12.182 -2.823 -1.989 1.00 0.00 N ATOM 0 H LYS A 66 5.791 -4.248 1.163 1.00 0.00 H new ATOM 0 HA LYS A 66 7.237 -5.478 -1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.191 -3.018 -0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.275 -3.479 0.958 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.321 -4.736 -1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.851 -3.130 -1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.366 -2.063 -0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.337 -3.357 0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.375 -3.905 -0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.412 -4.706 -1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.045 -3.238 -2.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.478 -2.683 -2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.410 -1.907 -1.553 1.00 0.00 H new ATOM 933 N GLN A 67 8.313 -5.909 2.050 1.00 0.00 N ATOM 934 CA GLN A 67 9.081 -6.806 2.896 1.00 0.00 C ATOM 935 C GLN A 67 8.598 -6.711 4.345 1.00 0.00 C ATOM 936 O GLN A 67 7.700 -5.928 4.654 1.00 0.00 O ATOM 937 CB GLN A 67 10.577 -6.509 2.795 1.00 0.00 C ATOM 938 CG GLN A 67 11.182 -7.154 1.547 1.00 0.00 C ATOM 939 CD GLN A 67 12.504 -7.851 1.876 1.00 0.00 C ATOM 940 OE1 GLN A 67 12.967 -7.860 3.005 1.00 0.00 O ATOM 941 NE2 GLN A 67 13.084 -8.433 0.831 1.00 0.00 N ATOM 0 H GLN A 67 7.952 -5.081 2.524 1.00 0.00 H new ATOM 0 HA GLN A 67 8.924 -7.827 2.547 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.736 -5.431 2.765 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.086 -6.881 3.684 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.480 -7.876 1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.348 -6.393 0.784 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.643 -8.388 -0.088 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.970 -8.925 0.948 1.00 0.00 H new ATOM 948 N VAL A 68 9.217 -7.517 5.196 1.00 0.00 N ATOM 949 CA VAL A 68 8.861 -7.533 6.605 1.00 0.00 C ATOM 950 C VAL A 68 10.134 -7.649 7.446 1.00 0.00 C ATOM 951 O VAL A 68 10.980 -8.504 7.183 1.00 0.00 O ATOM 952 CB VAL A 68 7.859 -8.656 6.879 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.692 -8.887 8.382 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.511 -8.362 6.216 1.00 0.00 C ATOM 0 H VAL A 68 9.962 -8.163 4.937 1.00 0.00 H new ATOM 0 HA VAL A 68 8.369 -6.602 6.886 1.00 0.00 H new ATOM 0 HB VAL A 68 8.255 -9.572 6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.974 -9.690 8.549 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.653 -9.162 8.817 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.330 -7.973 8.853 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.817 -9.176 6.426 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.107 -7.430 6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.648 -8.271 5.138 1.00 0.00 H new ATOM 964 N LYS A 69 10.230 -6.779 8.439 1.00 0.00 N ATOM 965 CA LYS A 69 11.386 -6.772 9.320 1.00 0.00 C ATOM 966 C LYS A 69 11.274 -7.935 10.308 1.00 0.00 C ATOM 967 O LYS A 69 10.203 -8.186 10.860 1.00 0.00 O ATOM 968 CB LYS A 69 11.540 -5.407 9.993 1.00 0.00 C ATOM 969 CG LYS A 69 12.561 -5.469 11.130 1.00 0.00 C ATOM 970 CD LYS A 69 13.901 -4.871 10.696 1.00 0.00 C ATOM 971 CE LYS A 69 14.972 -5.093 11.765 1.00 0.00 C ATOM 972 NZ LYS A 69 16.296 -4.650 11.274 1.00 0.00 N ATOM 0 H LYS A 69 9.526 -6.073 8.654 1.00 0.00 H new ATOM 0 HA LYS A 69 12.301 -6.924 8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.855 -4.668 9.256 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.576 -5.079 10.382 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.180 -4.927 11.996 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.704 -6.504 11.439 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.219 -5.325 9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.784 -3.803 10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.711 -4.543 12.669 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.012 -6.149 12.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 17.011 -4.808 12.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.550 -5.193 10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.258 -3.637 11.040 1.00 0.00 H new ATOM 982 N GLU A 70 12.395 -8.616 10.501 1.00 0.00 N ATOM 983 CA GLU A 70 12.436 -9.746 11.414 1.00 0.00 C ATOM 984 C GLU A 70 12.629 -9.261 12.851 1.00 0.00 C ATOM 985 O GLU A 70 13.757 -9.038 13.289 1.00 0.00 O ATOM 986 CB GLU A 70 13.536 -10.731 11.015 1.00 0.00 C ATOM 987 CG GLU A 70 12.963 -12.135 10.802 1.00 0.00 C ATOM 988 CD GLU A 70 13.957 -13.207 11.259 1.00 0.00 C ATOM 989 OE1 GLU A 70 14.894 -13.480 10.480 1.00 0.00 O ATOM 990 OE2 GLU A 70 13.754 -13.728 12.377 1.00 0.00 O ATOM 0 H GLU A 70 13.281 -8.407 10.041 1.00 0.00 H new ATOM 0 HA GLU A 70 11.483 -10.272 11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.021 -10.389 10.101 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.302 -10.760 11.790 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.030 -12.239 11.356 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.726 -12.279 9.748 1.00 0.00 H new ATOM 995 N GLY A 71 11.511 -9.113 13.546 1.00 0.00 N ATOM 996 CA GLY A 71 11.543 -8.658 14.927 1.00 0.00 C ATOM 997 C GLY A 71 10.813 -7.321 15.081 1.00 0.00 C ATOM 998 O GLY A 71 11.240 -6.463 15.850 1.00 0.00 O ATOM 0 H GLY A 71 10.578 -9.300 13.180 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.080 -9.406 15.571 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.577 -8.552 15.255 1.00 0.00 H new ATOM 1002 N GLY A 72 9.725 -7.189 14.337 1.00 0.00 N ATOM 1003 CA GLY A 72 8.932 -5.972 14.382 1.00 0.00 C ATOM 1004 C GLY A 72 7.479 -6.278 14.746 1.00 0.00 C ATOM 1005 O GLY A 72 7.158 -7.393 15.153 1.00 0.00 O ATOM 0 H GLY A 72 9.374 -7.904 13.700 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.357 -5.284 15.113 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.971 -5.472 13.414 1.00 0.00 H new ATOM 1009 N PRO A 73 6.614 -5.240 14.583 1.00 0.00 N ATOM 1010 CA PRO A 73 5.202 -5.387 14.890 1.00 0.00 C ATOM 1011 C PRO A 73 4.486 -6.198 13.808 1.00 0.00 C ATOM 1012 O PRO A 73 3.829 -7.194 14.107 1.00 0.00 O ATOM 1013 CB PRO A 73 4.675 -3.966 15.013 1.00 0.00 C ATOM 1014 CG PRO A 73 5.698 -3.082 14.315 1.00 0.00 C ATOM 1015 CD PRO A 73 6.958 -3.905 14.103 1.00 0.00 C ATOM 0 HA PRO A 73 5.029 -5.943 15.811 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.694 -3.871 14.547 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.560 -3.681 16.059 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.308 -2.728 13.361 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.915 -2.200 14.918 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.246 -3.924 13.052 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.800 -3.490 14.657 1.00 0.00 H new ATOM 1020 N ALA A 74 4.639 -5.742 12.574 1.00 0.00 N ATOM 1021 CA ALA A 74 4.017 -6.412 11.446 1.00 0.00 C ATOM 1022 C ALA A 74 4.354 -7.905 11.494 1.00 0.00 C ATOM 1023 O ALA A 74 3.460 -8.745 11.555 1.00 0.00 O ATOM 1024 CB ALA A 74 4.474 -5.754 10.142 1.00 0.00 C ATOM 0 H ALA A 74 5.185 -4.916 12.331 1.00 0.00 H new ATOM 0 HA ALA A 74 2.932 -6.316 11.496 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.006 -6.258 9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.184 -4.703 10.144 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.558 -5.831 10.056 1.00 0.00 H new ATOM 1030 N PHE A 75 5.649 -8.186 11.465 1.00 0.00 N ATOM 1031 CA PHE A 75 6.118 -9.561 11.504 1.00 0.00 C ATOM 1032 C PHE A 75 5.300 -10.390 12.499 1.00 0.00 C ATOM 1033 O PHE A 75 4.812 -11.467 12.160 1.00 0.00 O ATOM 1034 CB PHE A 75 7.575 -9.524 11.966 1.00 0.00 C ATOM 1035 CG PHE A 75 8.079 -10.850 12.540 1.00 0.00 C ATOM 1036 CD1 PHE A 75 8.097 -11.966 11.762 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.509 -10.913 13.829 1.00 0.00 C ATOM 1038 CE1 PHE A 75 8.565 -13.196 12.295 1.00 0.00 C ATOM 1039 CE2 PHE A 75 8.978 -12.143 14.361 1.00 0.00 C ATOM 1040 CZ PHE A 75 8.995 -13.259 13.584 1.00 0.00 C ATOM 0 H PHE A 75 6.388 -7.485 11.415 1.00 0.00 H new ATOM 0 HA PHE A 75 6.016 -10.018 10.520 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.206 -9.241 11.123 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.686 -8.747 12.722 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.755 -11.916 10.739 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.494 -10.028 14.447 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.580 -14.082 11.677 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.322 -12.192 15.384 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.350 -14.195 13.990 1.00 0.00 H new ATOM 1049 N GLU A 76 5.175 -9.854 13.704 1.00 0.00 N ATOM 1050 CA GLU A 76 4.426 -10.531 14.749 1.00 0.00 C ATOM 1051 C GLU A 76 2.958 -10.673 14.342 1.00 0.00 C ATOM 1052 O GLU A 76 2.416 -11.778 14.335 1.00 0.00 O ATOM 1053 CB GLU A 76 4.555 -9.792 16.083 1.00 0.00 C ATOM 1054 CG GLU A 76 6.025 -9.624 16.477 1.00 0.00 C ATOM 1055 CD GLU A 76 6.383 -10.535 17.654 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.383 -11.766 17.439 1.00 0.00 O ATOM 1057 OE2 GLU A 76 6.649 -9.979 18.741 1.00 0.00 O ATOM 0 H GLU A 76 5.579 -8.959 13.980 1.00 0.00 H new ATOM 0 HA GLU A 76 4.845 -11.528 14.881 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.081 -8.813 16.008 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.027 -10.343 16.861 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.663 -9.857 15.624 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.217 -8.585 16.745 1.00 0.00 H new ATOM 1062 N ALA A 77 2.355 -9.540 14.012 1.00 0.00 N ATOM 1063 CA ALA A 77 0.961 -9.525 13.605 1.00 0.00 C ATOM 1064 C ALA A 77 0.684 -10.731 12.704 1.00 0.00 C ATOM 1065 O ALA A 77 -0.418 -11.276 12.714 1.00 0.00 O ATOM 1066 CB ALA A 77 0.644 -8.197 12.915 1.00 0.00 C ATOM 0 H ALA A 77 2.807 -8.626 14.018 1.00 0.00 H new ATOM 0 HA ALA A 77 0.307 -9.605 14.473 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.402 -8.186 12.610 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.829 -7.375 13.606 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.279 -8.083 12.037 1.00 0.00 H new ATOM 1072 N GLY A 78 1.702 -11.110 11.948 1.00 0.00 N ATOM 1073 CA GLY A 78 1.584 -12.241 11.043 1.00 0.00 C ATOM 1074 C GLY A 78 1.793 -11.806 9.591 1.00 0.00 C ATOM 1075 O GLY A 78 1.561 -12.584 8.666 1.00 0.00 O ATOM 0 H GLY A 78 2.614 -10.654 11.943 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.319 -13.001 11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.600 -12.697 11.152 1.00 0.00 H new ATOM 1079 N LEU A 79 2.230 -10.564 9.436 1.00 0.00 N ATOM 1080 CA LEU A 79 2.474 -10.016 8.112 1.00 0.00 C ATOM 1081 C LEU A 79 3.650 -10.754 7.468 1.00 0.00 C ATOM 1082 O LEU A 79 4.443 -11.391 8.161 1.00 0.00 O ATOM 1083 CB LEU A 79 2.665 -8.500 8.187 1.00 0.00 C ATOM 1084 CG LEU A 79 1.795 -7.668 7.243 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.314 -7.796 7.606 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.256 -6.209 7.218 1.00 0.00 C ATOM 0 H LEU A 79 2.421 -9.922 10.205 1.00 0.00 H new ATOM 0 HA LEU A 79 1.608 -10.173 7.469 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.467 -8.179 9.210 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.711 -8.275 7.979 1.00 0.00 H new ATOM 0 HG LEU A 79 1.913 -8.061 6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.282 -7.195 6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.010 -8.840 7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.158 -7.444 8.626 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.622 -5.639 6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.186 -5.788 8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.290 -6.160 6.876 1.00 0.00 H new ATOM 1097 N CYS A 80 3.725 -10.643 6.151 1.00 0.00 N ATOM 1098 CA CYS A 80 4.792 -11.291 5.405 1.00 0.00 C ATOM 1099 C CYS A 80 4.952 -10.566 4.069 1.00 0.00 C ATOM 1100 O CYS A 80 4.492 -9.436 3.911 1.00 0.00 O ATOM 1101 CB CYS A 80 4.523 -12.785 5.216 1.00 0.00 C ATOM 1102 SG CYS A 80 6.058 -13.738 5.501 1.00 0.00 S ATOM 0 H CYS A 80 3.065 -10.115 5.580 1.00 0.00 H new ATOM 0 HA CYS A 80 5.724 -11.225 5.966 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.747 -13.114 5.908 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.151 -12.971 4.208 1.00 0.00 H new ATOM 0 HG CYS A 80 5.818 -15.006 5.340 1.00 0.00 H new ATOM 1107 N THR A 81 5.608 -11.246 3.138 1.00 0.00 N ATOM 1108 CA THR A 81 5.835 -10.680 1.819 1.00 0.00 C ATOM 1109 C THR A 81 4.865 -11.290 0.804 1.00 0.00 C ATOM 1110 O THR A 81 4.720 -12.509 0.732 1.00 0.00 O ATOM 1111 CB THR A 81 7.305 -10.896 1.459 1.00 0.00 C ATOM 1112 OG1 THR A 81 7.387 -12.285 1.150 1.00 0.00 O ATOM 1113 CG2 THR A 81 8.234 -10.727 2.662 1.00 0.00 C ATOM 0 H THR A 81 5.989 -12.183 3.272 1.00 0.00 H new ATOM 0 HA THR A 81 5.637 -9.608 1.808 1.00 0.00 H new ATOM 0 HB THR A 81 7.593 -10.194 0.677 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.496 -12.622 0.918 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.266 -10.891 2.351 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.132 -9.718 3.062 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.968 -11.451 3.432 1.00 0.00 H new ATOM 1121 N GLY A 82 4.225 -10.412 0.044 1.00 0.00 N ATOM 1122 CA GLY A 82 3.274 -10.848 -0.963 1.00 0.00 C ATOM 1123 C GLY A 82 1.843 -10.480 -0.563 1.00 0.00 C ATOM 1124 O GLY A 82 0.985 -10.286 -1.423 1.00 0.00 O ATOM 0 H GLY A 82 4.347 -9.401 0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.517 -10.388 -1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.351 -11.927 -1.098 1.00 0.00 H new ATOM 1128 N ASP A 83 1.632 -10.394 0.741 1.00 0.00 N ATOM 1129 CA ASP A 83 0.322 -10.053 1.266 1.00 0.00 C ATOM 1130 C ASP A 83 -0.011 -8.607 0.893 1.00 0.00 C ATOM 1131 O ASP A 83 0.734 -7.687 1.229 1.00 0.00 O ATOM 1132 CB ASP A 83 0.292 -10.166 2.793 1.00 0.00 C ATOM 1133 CG ASP A 83 0.707 -11.529 3.348 1.00 0.00 C ATOM 1134 OD1 ASP A 83 0.924 -12.438 2.517 1.00 0.00 O ATOM 1135 OD2 ASP A 83 0.800 -11.632 4.591 1.00 0.00 O ATOM 0 H ASP A 83 2.347 -10.555 1.450 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.403 -10.746 0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.950 -9.404 3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.717 -9.941 3.139 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.132 -8.451 0.204 1.00 0.00 N ATOM 1140 CA ARG A 84 -1.574 -7.132 -0.219 1.00 0.00 C ATOM 1141 C ARG A 84 -2.552 -6.548 0.801 1.00 0.00 C ATOM 1142 O ARG A 84 -3.259 -7.288 1.484 1.00 0.00 O ATOM 1143 CB ARG A 84 -2.251 -7.192 -1.589 1.00 0.00 C ATOM 1144 CG ARG A 84 -3.700 -7.671 -1.465 1.00 0.00 C ATOM 1145 CD ARG A 84 -4.174 -8.328 -2.763 1.00 0.00 C ATOM 1146 NE ARG A 84 -3.557 -9.665 -2.909 1.00 0.00 N ATOM 1147 CZ ARG A 84 -4.025 -10.623 -3.721 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -5.115 -10.397 -4.466 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -3.400 -11.805 -3.790 1.00 0.00 N ATOM 0 H ARG A 84 -1.748 -9.216 -0.072 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.693 -6.493 -0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.229 -6.206 -2.053 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.697 -7.865 -2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.783 -8.381 -0.642 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.346 -6.827 -1.223 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -5.260 -8.418 -2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.910 -7.702 -3.615 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.724 -9.870 -2.357 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.589 -9.495 -4.416 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.471 -11.126 -5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.568 -11.976 -3.225 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.756 -12.535 -4.408 1.00 0.00 H new ATOM 1160 N ILE A 85 -2.561 -5.225 0.874 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.440 -4.531 1.800 1.00 0.00 C ATOM 1162 C ILE A 85 -4.791 -4.285 1.125 1.00 0.00 C ATOM 1163 O ILE A 85 -4.845 -3.915 -0.046 1.00 0.00 O ATOM 1164 CB ILE A 85 -2.772 -3.260 2.324 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.325 -3.531 2.739 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.587 -2.639 3.460 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.244 -4.713 3.707 1.00 0.00 C ATOM 0 H ILE A 85 -1.973 -4.615 0.306 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.630 -5.146 2.679 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.743 -2.532 1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.722 -3.739 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.905 -2.642 3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.089 -1.736 3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.583 -2.385 3.097 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.671 -3.352 4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.204 -4.884 3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.828 -4.492 4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.642 -5.606 3.225 1.00 0.00 H new ATOM 1178 N ILE A 86 -5.849 -4.500 1.895 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.196 -4.304 1.386 1.00 0.00 C ATOM 1180 C ILE A 86 -7.882 -3.193 2.183 1.00 0.00 C ATOM 1181 O ILE A 86 -8.669 -2.424 1.633 1.00 0.00 O ATOM 1182 CB ILE A 86 -7.966 -5.627 1.386 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -7.909 -6.294 2.761 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.461 -6.554 0.278 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -8.567 -7.674 2.728 1.00 0.00 C ATOM 0 H ILE A 86 -5.800 -4.808 2.866 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.167 -3.978 0.346 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.014 -5.413 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.871 -6.390 3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.412 -5.665 3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.024 -7.487 0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.595 -6.071 -0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.403 -6.765 0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.513 -8.127 3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -9.611 -7.572 2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.047 -8.308 2.010 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.559 -3.145 3.467 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.134 -2.141 4.346 1.00 0.00 C ATOM 1198 C LYS A 87 -7.027 -1.528 5.207 1.00 0.00 C ATOM 1199 O LYS A 87 -5.936 -2.087 5.311 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.286 -2.738 5.158 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.405 -3.233 4.239 1.00 0.00 C ATOM 1202 CD LYS A 87 -10.730 -4.702 4.516 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.155 -5.420 3.233 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.058 -6.550 3.546 1.00 0.00 N ATOM 0 H LYS A 87 -6.907 -3.785 3.920 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.571 -1.330 3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.917 -3.564 5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.679 -1.988 5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.298 -2.625 4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.106 -3.113 3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.858 -5.197 4.942 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.528 -4.769 5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.658 -4.719 2.566 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.274 -5.786 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.337 -7.026 2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.566 -7.226 4.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.907 -6.193 4.030 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.346 -0.388 5.802 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.392 0.306 6.649 1.00 0.00 C ATOM 1216 C VAL A 88 -7.145 1.041 7.761 1.00 0.00 C ATOM 1217 O VAL A 88 -8.041 1.837 7.487 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.520 1.235 5.804 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.603 2.082 6.689 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.712 0.443 4.774 1.00 0.00 C ATOM 0 H VAL A 88 -8.252 0.072 5.714 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.718 -0.405 7.126 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.180 1.912 5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.994 2.734 6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.207 2.688 7.364 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.954 1.428 7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.101 1.128 4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.067 -0.270 5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.392 -0.094 4.113 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.754 0.745 8.992 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.381 1.368 10.146 1.00 0.00 C ATOM 1232 C ASN A 89 -8.900 1.353 9.965 1.00 0.00 C ATOM 1233 O ASN A 89 -9.600 2.213 10.497 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.936 2.824 10.296 1.00 0.00 C ATOM 1235 CG ASN A 89 -5.657 2.924 11.131 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -5.343 2.063 11.935 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.942 4.019 10.895 1.00 0.00 N ATOM 0 H ASN A 89 -6.011 0.083 9.216 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.086 0.808 11.034 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.766 3.259 9.311 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.729 3.403 10.768 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.071 4.179 11.402 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.264 4.700 10.207 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.366 0.366 9.213 1.00 0.00 N ATOM 1244 CA GLY A 90 -10.789 0.229 8.955 1.00 0.00 C ATOM 1245 C GLY A 90 -11.330 1.446 8.202 1.00 0.00 C ATOM 1246 O GLY A 90 -12.435 1.910 8.479 1.00 0.00 O ATOM 0 H GLY A 90 -8.783 -0.346 8.774 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.971 -0.674 8.372 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.324 0.113 9.898 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.526 1.928 7.267 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.911 3.082 6.471 1.00 0.00 C ATOM 1252 C GLU A 91 -11.380 2.639 5.084 1.00 0.00 C ATOM 1253 O GLU A 91 -11.853 3.454 4.294 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.758 4.083 6.366 1.00 0.00 C ATOM 1255 CG GLU A 91 -10.219 5.491 6.748 1.00 0.00 C ATOM 1256 CD GLU A 91 -11.550 5.834 6.076 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -11.498 6.263 4.903 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -12.588 5.661 6.749 1.00 0.00 O ATOM 0 H GLU A 91 -9.609 1.541 7.042 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.741 3.583 6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.942 3.774 7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.367 4.088 5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.325 5.561 7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.461 6.218 6.454 1.00 0.00 H new ATOM 1263 N SER A 92 -11.232 1.347 4.830 1.00 0.00 N ATOM 1264 CA SER A 92 -11.635 0.785 3.551 1.00 0.00 C ATOM 1265 C SER A 92 -10.887 1.483 2.414 1.00 0.00 C ATOM 1266 O SER A 92 -11.274 2.570 1.988 1.00 0.00 O ATOM 1267 CB SER A 92 -13.146 0.908 3.348 1.00 0.00 C ATOM 1268 OG SER A 92 -13.495 0.977 1.967 1.00 0.00 O ATOM 0 H SER A 92 -10.839 0.673 5.487 1.00 0.00 H new ATOM 0 HA SER A 92 -11.381 -0.275 3.547 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.644 0.053 3.806 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.509 1.800 3.859 1.00 0.00 H new ATOM 0 HG SER A 92 -14.468 1.053 1.879 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.830 0.829 1.955 1.00 0.00 N ATOM 1274 CA VAL A 93 -9.023 1.374 0.875 1.00 0.00 C ATOM 1275 C VAL A 93 -9.430 0.711 -0.442 1.00 0.00 C ATOM 1276 O VAL A 93 -8.625 0.618 -1.368 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.538 1.206 1.195 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -7.208 1.772 2.579 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -7.115 -0.260 1.088 1.00 0.00 C ATOM 0 H VAL A 93 -9.513 -0.073 2.311 1.00 0.00 H new ATOM 0 HA VAL A 93 -9.199 2.445 0.769 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.971 1.772 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.145 1.640 2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.453 2.834 2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.790 1.246 3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.054 -0.350 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.693 -0.858 1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.296 -0.618 0.074 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.677 0.268 -0.485 1.00 0.00 N ATOM 1290 CA ILE A 94 -11.201 -0.383 -1.674 1.00 0.00 C ATOM 1291 C ILE A 94 -11.190 0.608 -2.839 1.00 0.00 C ATOM 1292 O ILE A 94 -10.992 0.218 -3.990 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.578 -0.987 -1.393 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -12.500 -2.040 -0.285 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -13.203 -1.547 -2.672 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -11.711 -3.267 -0.749 1.00 0.00 C ATOM 0 H ILE A 94 -11.341 0.347 0.285 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.565 -1.220 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 94 -13.233 -0.192 -1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.025 -1.610 0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -13.506 -2.340 0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -14.181 -1.970 -2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.316 -0.746 -3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.558 -2.324 -3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.671 -4.000 0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -12.202 -3.708 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.698 -2.968 -1.018 1.00 0.00 H new ATOM 1307 N GLY A 95 -11.406 1.871 -2.503 1.00 0.00 N ATOM 1308 CA GLY A 95 -11.425 2.920 -3.507 1.00 0.00 C ATOM 1309 C GLY A 95 -10.379 3.993 -3.198 1.00 0.00 C ATOM 1310 O GLY A 95 -10.613 5.179 -3.427 1.00 0.00 O ATOM 0 H GLY A 95 -11.569 2.191 -1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.232 2.491 -4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.416 3.373 -3.546 1.00 0.00 H new ATOM 1314 N LYS A 96 -9.246 3.539 -2.682 1.00 0.00 N ATOM 1315 CA LYS A 96 -8.163 4.445 -2.339 1.00 0.00 C ATOM 1316 C LYS A 96 -6.897 4.027 -3.089 1.00 0.00 C ATOM 1317 O LYS A 96 -6.748 2.864 -3.465 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.984 4.514 -0.821 1.00 0.00 C ATOM 1319 CG LYS A 96 -9.121 5.302 -0.170 1.00 0.00 C ATOM 1320 CD LYS A 96 -8.957 5.348 1.350 1.00 0.00 C ATOM 1321 CE LYS A 96 -10.137 6.065 2.008 1.00 0.00 C ATOM 1322 NZ LYS A 96 -11.325 5.183 2.043 1.00 0.00 N ATOM 0 H LYS A 96 -9.055 2.555 -2.493 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.401 5.460 -2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.953 3.505 -0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.029 4.984 -0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.139 6.317 -0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.077 4.843 -0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.879 4.334 1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.029 5.860 1.604 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.869 6.364 3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.369 6.976 1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.092 5.611 1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.081 4.256 1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.638 5.062 3.027 1.00 0.00 H new ATOM 1332 N THR A 97 -6.015 4.996 -3.285 1.00 0.00 N ATOM 1333 CA THR A 97 -4.767 4.744 -3.984 1.00 0.00 C ATOM 1334 C THR A 97 -3.604 4.684 -2.993 1.00 0.00 C ATOM 1335 O THR A 97 -3.755 5.053 -1.828 1.00 0.00 O ATOM 1336 CB THR A 97 -4.598 5.823 -5.055 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.194 5.850 -5.302 1.00 0.00 O ATOM 1338 CG2 THR A 97 -4.911 7.224 -4.529 1.00 0.00 C ATOM 0 H THR A 97 -6.141 5.958 -2.971 1.00 0.00 H new ATOM 0 HA THR A 97 -4.781 3.774 -4.480 1.00 0.00 H new ATOM 0 HB THR A 97 -5.248 5.600 -5.901 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.995 6.522 -5.987 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.775 7.952 -5.329 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.942 7.259 -4.178 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.239 7.462 -3.705 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.468 4.217 -3.489 1.00 0.00 N ATOM 1347 CA TYR A 98 -1.279 4.103 -2.661 1.00 0.00 C ATOM 1348 C TYR A 98 -1.010 5.408 -1.908 1.00 0.00 C ATOM 1349 O TYR A 98 -1.012 5.431 -0.677 1.00 0.00 O ATOM 1350 CB TYR A 98 -0.118 3.836 -3.622 1.00 0.00 C ATOM 1351 CG TYR A 98 1.202 3.502 -2.927 1.00 0.00 C ATOM 1352 CD1 TYR A 98 1.326 2.330 -2.208 1.00 0.00 C ATOM 1353 CD2 TYR A 98 2.269 4.372 -3.018 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.569 2.017 -1.553 1.00 0.00 C ATOM 1355 CE2 TYR A 98 3.513 4.058 -2.364 1.00 0.00 C ATOM 1356 CZ TYR A 98 3.601 2.896 -1.662 1.00 0.00 C ATOM 1357 OH TYR A 98 4.775 2.599 -1.044 1.00 0.00 O ATOM 0 H TYR A 98 -2.345 3.913 -4.455 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.401 3.311 -1.922 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.388 3.011 -4.281 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.027 4.713 -4.252 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.491 1.649 -2.137 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.171 5.289 -3.580 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.680 1.104 -0.987 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.356 4.729 -2.429 1.00 0.00 H new ATOM 0 HH TYR A 98 5.422 3.316 -1.209 1.00 0.00 H new ATOM 1366 N SER A 99 -0.784 6.463 -2.676 1.00 0.00 N ATOM 1367 CA SER A 99 -0.515 7.768 -2.096 1.00 0.00 C ATOM 1368 C SER A 99 -1.505 8.053 -0.966 1.00 0.00 C ATOM 1369 O SER A 99 -1.151 8.684 0.029 1.00 0.00 O ATOM 1370 CB SER A 99 -0.590 8.868 -3.157 1.00 0.00 C ATOM 1371 OG SER A 99 0.397 9.875 -2.953 1.00 0.00 O ATOM 0 H SER A 99 -0.782 6.441 -3.696 1.00 0.00 H new ATOM 0 HA SER A 99 0.497 7.760 -1.690 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.460 8.428 -4.146 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.581 9.322 -3.139 1.00 0.00 H new ATOM 0 HG SER A 99 0.317 10.558 -3.652 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.725 7.573 -1.154 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.769 7.769 -0.163 1.00 0.00 C ATOM 1378 C GLN A 100 -3.470 6.943 1.091 1.00 0.00 C ATOM 1379 O GLN A 100 -3.104 7.493 2.128 1.00 0.00 O ATOM 1380 CB GLN A 100 -5.143 7.417 -0.736 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.952 8.680 -1.033 1.00 0.00 C ATOM 1382 CD GLN A 100 -7.451 8.424 -0.865 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -7.979 8.371 0.234 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -8.105 8.269 -2.011 1.00 0.00 N ATOM 0 H GLN A 100 -3.014 7.048 -1.979 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.787 8.823 0.114 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.022 6.835 -1.650 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.686 6.790 -0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.639 9.482 -0.364 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.749 9.016 -2.050 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.602 8.325 -2.897 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.110 8.094 -2.005 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.637 5.636 0.953 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.391 4.729 2.063 1.00 0.00 C ATOM 1393 C VAL A 101 -2.051 5.080 2.713 1.00 0.00 C ATOM 1394 O VAL A 101 -1.921 5.033 3.935 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.458 3.279 1.577 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -4.854 2.941 1.050 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.390 3.005 0.516 1.00 0.00 C ATOM 0 H VAL A 101 -3.939 5.183 0.091 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.162 4.839 2.826 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.256 2.631 2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.874 1.905 0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.586 3.077 1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.098 3.600 0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.460 1.968 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.546 3.666 -0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.402 3.186 0.939 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.090 5.423 1.869 1.00 0.00 N ATOM 1408 CA ILE A 102 0.234 5.782 2.346 1.00 0.00 C ATOM 1409 C ILE A 102 0.103 6.776 3.501 1.00 0.00 C ATOM 1410 O ILE A 102 0.631 6.545 4.588 1.00 0.00 O ATOM 1411 CB ILE A 102 1.101 6.290 1.193 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.637 5.127 0.356 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.226 7.190 1.708 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.700 4.342 1.124 1.00 0.00 C ATOM 0 H ILE A 102 -1.202 5.460 0.856 1.00 0.00 H new ATOM 0 HA ILE A 102 0.748 4.904 2.737 1.00 0.00 H new ATOM 0 HB ILE A 102 0.476 6.897 0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.817 4.463 0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.062 5.508 -0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.827 7.538 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.797 8.047 2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.856 6.627 2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.064 3.521 0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.530 5.003 1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.266 3.941 2.040 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.605 7.862 3.228 1.00 0.00 N ATOM 1426 CA ALA A 103 -0.813 8.893 4.230 1.00 0.00 C ATOM 1427 C ALA A 103 -1.503 8.279 5.450 1.00 0.00 C ATOM 1428 O ALA A 103 -1.120 8.552 6.587 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.617 10.043 3.622 1.00 0.00 C ATOM 0 H ALA A 103 -1.042 8.050 2.326 1.00 0.00 H new ATOM 0 HA ALA A 103 0.141 9.304 4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.773 10.816 4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.070 10.463 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.582 9.671 3.279 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.508 7.462 5.172 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.255 6.808 6.233 1.00 0.00 C ATOM 1437 C LEU A 104 -2.282 6.082 7.162 1.00 0.00 C ATOM 1438 O LEU A 104 -2.483 6.051 8.377 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.338 5.901 5.646 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.507 6.609 4.958 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.611 5.618 4.592 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -6.032 7.761 5.818 1.00 0.00 C ATOM 0 H LEU A 104 -2.822 7.238 4.228 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.783 7.545 6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.871 5.230 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.737 5.279 6.448 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.143 7.042 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.429 6.148 4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.212 4.864 3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.980 5.134 5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.862 8.248 5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.374 7.372 6.777 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.234 8.484 5.984 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.249 5.513 6.560 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.244 4.788 7.319 1.00 0.00 C ATOM 1455 C ILE A 105 0.651 5.786 8.055 1.00 0.00 C ATOM 1456 O ILE A 105 0.925 5.622 9.243 1.00 0.00 O ATOM 1457 CB ILE A 105 0.525 3.828 6.409 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.367 2.672 5.954 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.803 3.333 7.089 1.00 0.00 C ATOM 1460 CD1 ILE A 105 0.126 2.086 4.629 1.00 0.00 C ATOM 0 H ILE A 105 -1.086 5.539 5.554 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.716 4.163 8.077 1.00 0.00 H new ATOM 0 HB ILE A 105 0.827 4.373 5.515 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.378 1.894 6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.393 3.022 5.841 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.330 2.652 6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.444 4.183 7.321 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.546 2.810 8.010 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.526 1.266 4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.113 2.860 3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.143 1.714 4.752 1.00 0.00 H new ATOM 1471 N GLN A 106 1.083 6.801 7.319 1.00 0.00 N ATOM 1472 CA GLN A 106 1.942 7.826 7.888 1.00 0.00 C ATOM 1473 C GLN A 106 1.196 8.598 8.979 1.00 0.00 C ATOM 1474 O GLN A 106 1.816 9.172 9.873 1.00 0.00 O ATOM 1475 CB GLN A 106 2.459 8.773 6.802 1.00 0.00 C ATOM 1476 CG GLN A 106 3.274 8.011 5.756 1.00 0.00 C ATOM 1477 CD GLN A 106 4.594 8.726 5.463 1.00 0.00 C ATOM 1478 OE1 GLN A 106 5.152 9.420 6.298 1.00 0.00 O ATOM 1479 NE2 GLN A 106 5.063 8.519 4.236 1.00 0.00 N ATOM 0 H GLN A 106 0.854 6.935 6.334 1.00 0.00 H new ATOM 0 HA GLN A 106 2.806 7.339 8.341 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.619 9.274 6.320 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.076 9.549 7.254 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.475 7.000 6.112 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.696 7.917 4.837 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.546 7.927 3.586 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.939 8.952 3.945 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.125 8.587 8.869 1.00 0.00 N ATOM 1487 CA ASN A 107 -0.961 9.278 9.835 1.00 0.00 C ATOM 1488 C ASN A 107 -1.784 8.253 10.618 1.00 0.00 C ATOM 1489 O ASN A 107 -2.857 8.572 11.129 1.00 0.00 O ATOM 1490 CB ASN A 107 -1.934 10.232 9.139 1.00 0.00 C ATOM 1491 CG ASN A 107 -1.266 11.576 8.842 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -0.934 12.342 9.733 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -1.088 11.820 7.547 1.00 0.00 N ATOM 0 H ASN A 107 -0.636 8.111 8.126 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.309 9.847 10.498 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.286 9.784 8.210 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.809 10.388 9.770 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -0.650 12.691 7.248 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -1.389 11.136 6.853 1.00 0.00 H new ATOM 1499 N SER A 108 -1.251 7.043 10.687 1.00 0.00 N ATOM 1500 CA SER A 108 -1.923 5.968 11.398 1.00 0.00 C ATOM 1501 C SER A 108 -1.712 6.128 12.906 1.00 0.00 C ATOM 1502 O SER A 108 -2.377 5.467 13.702 1.00 0.00 O ATOM 1503 CB SER A 108 -1.419 4.600 10.934 1.00 0.00 C ATOM 1504 OG SER A 108 -2.107 4.144 9.773 1.00 0.00 O ATOM 0 H SER A 108 -0.361 6.782 10.262 1.00 0.00 H new ATOM 0 HA SER A 108 -2.989 6.025 11.177 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.351 4.659 10.723 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.545 3.875 11.738 1.00 0.00 H new ATOM 0 HG SER A 108 -2.608 4.887 9.376 1.00 0.00 H new ATOM 1509 N ASP A 109 -0.784 7.008 13.252 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.477 7.262 14.649 1.00 0.00 C ATOM 1511 C ASP A 109 0.345 6.098 15.206 1.00 0.00 C ATOM 1512 O ASP A 109 0.709 5.182 14.471 1.00 0.00 O ATOM 1513 CB ASP A 109 -1.757 7.379 15.480 1.00 0.00 C ATOM 1514 CG ASP A 109 -1.617 8.190 16.771 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -1.085 9.317 16.676 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -2.047 7.666 17.821 1.00 0.00 O ATOM 0 H ASP A 109 -0.235 7.554 12.589 1.00 0.00 H new ATOM 0 HA ASP A 109 0.079 8.198 14.709 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.532 7.835 14.864 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.101 6.376 15.734 1.00 0.00 H new ATOM 1520 N THR A 110 0.612 6.171 16.502 1.00 0.00 N ATOM 1521 CA THR A 110 1.383 5.134 17.167 1.00 0.00 C ATOM 1522 C THR A 110 1.023 3.758 16.606 1.00 0.00 C ATOM 1523 O THR A 110 1.878 3.065 16.055 1.00 0.00 O ATOM 1524 CB THR A 110 1.144 5.259 18.673 1.00 0.00 C ATOM 1525 OG1 THR A 110 1.776 6.485 19.026 1.00 0.00 O ATOM 1526 CG2 THR A 110 1.904 4.202 19.475 1.00 0.00 C ATOM 0 H THR A 110 0.308 6.932 17.109 1.00 0.00 H new ATOM 0 HA THR A 110 2.450 5.255 16.982 1.00 0.00 H new ATOM 0 HB THR A 110 0.077 5.173 18.879 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.667 6.644 19.987 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.700 4.335 20.537 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.581 3.208 19.165 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.974 4.308 19.295 1.00 0.00 H new ATOM 1534 N THR A 111 -0.244 3.403 16.764 1.00 0.00 N ATOM 1535 CA THR A 111 -0.728 2.122 16.280 1.00 0.00 C ATOM 1536 C THR A 111 -1.151 2.231 14.813 1.00 0.00 C ATOM 1537 O THR A 111 -1.355 3.331 14.303 1.00 0.00 O ATOM 1538 CB THR A 111 -1.857 1.663 17.204 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.415 2.877 17.701 1.00 0.00 O ATOM 1540 CG2 THR A 111 -1.337 0.953 18.456 1.00 0.00 C ATOM 0 H THR A 111 -0.950 3.981 17.221 1.00 0.00 H new ATOM 0 HA THR A 111 0.059 1.368 16.304 1.00 0.00 H new ATOM 0 HB THR A 111 -2.523 0.995 16.658 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.156 2.672 18.308 1.00 0.00 H new ATOM 0 HG21 THR A 111 -2.179 0.648 19.077 1.00 0.00 H new ATOM 0 HG22 THR A 111 -0.764 0.073 18.164 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.697 1.632 19.020 1.00 0.00 H new ATOM 1548 N LEU A 112 -1.268 1.075 14.176 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.661 1.027 12.779 1.00 0.00 C ATOM 1550 C LEU A 112 -2.193 -0.370 12.452 1.00 0.00 C ATOM 1551 O LEU A 112 -1.429 -1.333 12.403 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.506 1.471 11.881 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.792 1.489 10.378 1.00 0.00 C ATOM 1554 CD1 LEU A 112 -0.131 0.299 9.679 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -2.297 1.549 10.108 1.00 0.00 C ATOM 0 H LEU A 112 -1.097 0.164 14.602 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.471 1.731 12.587 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.201 2.472 12.184 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.342 0.811 12.061 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.352 2.393 9.957 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.350 0.336 8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.948 0.342 9.830 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.519 -0.630 10.097 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.474 1.561 9.032 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.780 0.675 10.545 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.711 2.454 10.554 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.498 -0.437 12.234 1.00 0.00 N ATOM 1567 CA GLU A 113 -4.140 -1.699 11.911 1.00 0.00 C ATOM 1568 C GLU A 113 -4.159 -1.915 10.398 1.00 0.00 C ATOM 1569 O GLU A 113 -4.546 -1.022 9.645 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.555 -1.758 12.491 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.121 -3.178 12.412 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.612 -3.194 12.761 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -8.321 -2.294 12.261 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.007 -4.105 13.520 1.00 0.00 O ATOM 0 H GLU A 113 -4.129 0.364 12.275 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.562 -2.504 12.365 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.541 -1.426 13.529 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.204 -1.073 11.946 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -5.974 -3.577 11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.577 -3.829 13.096 1.00 0.00 H new ATOM 1579 N LEU A 114 -3.734 -3.104 9.997 1.00 0.00 N ATOM 1580 CA LEU A 114 -3.698 -3.448 8.586 1.00 0.00 C ATOM 1581 C LEU A 114 -4.701 -4.571 8.312 1.00 0.00 C ATOM 1582 O LEU A 114 -5.192 -5.208 9.242 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.268 -3.781 8.152 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.286 -2.608 8.118 1.00 0.00 C ATOM 1585 CD1 LEU A 114 0.160 -3.101 8.168 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.546 -1.711 6.906 1.00 0.00 C ATOM 0 H LEU A 114 -3.412 -3.841 10.624 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.001 -2.595 7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.873 -4.540 8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.306 -4.226 7.158 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.448 -2.001 9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.837 -2.247 8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.321 -3.664 9.087 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.355 -3.744 7.310 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.835 -0.885 6.905 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.428 -2.292 5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.561 -1.316 6.957 1.00 0.00 H new ATOM 1597 N SER A 115 -4.973 -4.779 7.032 1.00 0.00 N ATOM 1598 CA SER A 115 -5.909 -5.813 6.624 1.00 0.00 C ATOM 1599 C SER A 115 -5.439 -6.458 5.319 1.00 0.00 C ATOM 1600 O SER A 115 -5.173 -5.763 4.339 1.00 0.00 O ATOM 1601 CB SER A 115 -7.320 -5.247 6.459 1.00 0.00 C ATOM 1602 OG SER A 115 -7.590 -4.206 7.395 1.00 0.00 O ATOM 0 H SER A 115 -4.562 -4.249 6.264 1.00 0.00 H new ATOM 0 HA SER A 115 -5.942 -6.572 7.406 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.441 -4.864 5.446 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.049 -6.047 6.586 1.00 0.00 H new ATOM 0 HG SER A 115 -8.523 -4.264 7.689 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.352 -7.780 5.346 1.00 0.00 N ATOM 1608 CA VAL A 116 -4.918 -8.526 4.177 1.00 0.00 C ATOM 1609 C VAL A 116 -5.841 -9.730 3.977 1.00 0.00 C ATOM 1610 O VAL A 116 -6.898 -9.817 4.600 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.447 -8.918 4.322 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.556 -7.678 4.410 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.239 -9.830 5.533 1.00 0.00 C ATOM 0 H VAL A 116 -5.575 -8.354 6.159 1.00 0.00 H new ATOM 0 HA VAL A 116 -4.988 -7.909 3.281 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.159 -9.475 3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.515 -7.984 4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.671 -7.082 3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -2.846 -7.082 5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.184 -10.094 5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.553 -9.310 6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -3.832 -10.737 5.412 1.00 0.00 H new ATOM 1623 N MET A 117 -5.409 -10.627 3.103 1.00 0.00 N ATOM 1624 CA MET A 117 -6.183 -11.822 2.811 1.00 0.00 C ATOM 1625 C MET A 117 -5.325 -12.870 2.099 1.00 0.00 C ATOM 1626 O MET A 117 -5.690 -13.351 1.027 1.00 0.00 O ATOM 1627 CB MET A 117 -7.377 -11.455 1.929 1.00 0.00 C ATOM 1628 CG MET A 117 -7.010 -10.343 0.944 1.00 0.00 C ATOM 1629 SD MET A 117 -5.953 -10.991 -0.341 1.00 0.00 S ATOM 1630 CE MET A 117 -4.356 -10.534 0.312 1.00 0.00 C ATOM 0 H MET A 117 -4.532 -10.550 2.587 1.00 0.00 H new ATOM 0 HA MET A 117 -6.533 -12.245 3.753 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.713 -12.335 1.381 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.210 -11.132 2.554 1.00 0.00 H new ATOM 0 HG2 MET A 117 -7.914 -9.922 0.505 1.00 0.00 H new ATOM 0 HG3 MET A 117 -6.504 -9.533 1.469 1.00 0.00 H new ATOM 0 HE1 MET A 117 -3.673 -10.325 -0.511 1.00 0.00 H new ATOM 0 HE2 MET A 117 -4.458 -9.644 0.933 1.00 0.00 H new ATOM 0 HE3 MET A 117 -3.961 -11.353 0.913 1.00 0.00 H new ATOM 1638 N PRO A 118 -4.172 -13.203 2.740 1.00 0.00 N ATOM 1639 CA PRO A 118 -3.261 -14.184 2.178 1.00 0.00 C ATOM 1640 C PRO A 118 -3.807 -15.603 2.353 1.00 0.00 C ATOM 1641 O PRO A 118 -4.945 -15.784 2.784 1.00 0.00 O ATOM 1642 CB PRO A 118 -1.945 -13.961 2.906 1.00 0.00 C ATOM 1643 CG PRO A 118 -2.291 -13.182 4.164 1.00 0.00 C ATOM 1644 CD PRO A 118 -3.708 -12.653 4.010 1.00 0.00 C ATOM 0 HA PRO A 118 -3.131 -14.069 1.102 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -1.470 -14.910 3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -1.244 -13.406 2.283 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.216 -13.823 5.042 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -1.590 -12.360 4.309 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.343 -12.974 4.836 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.725 -11.563 4.000 1.00 0.00 H new ATOM 1649 N LYS A 119 -2.970 -16.571 2.010 1.00 0.00 N ATOM 1650 CA LYS A 119 -3.354 -17.968 2.126 1.00 0.00 C ATOM 1651 C LYS A 119 -2.098 -18.827 2.285 1.00 0.00 C ATOM 1652 O LYS A 119 -1.785 -19.276 3.386 1.00 0.00 O ATOM 1653 CB LYS A 119 -4.235 -18.378 0.944 1.00 0.00 C ATOM 1654 CG LYS A 119 -4.243 -19.899 0.769 1.00 0.00 C ATOM 1655 CD LYS A 119 -5.157 -20.314 -0.386 1.00 0.00 C ATOM 1656 CE LYS A 119 -4.722 -21.657 -0.976 1.00 0.00 C ATOM 1657 NZ LYS A 119 -4.667 -21.581 -2.452 1.00 0.00 N ATOM 0 H LYS A 119 -2.028 -16.416 1.652 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.961 -18.125 3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.253 -18.021 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.870 -17.905 0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.229 -20.252 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.579 -20.373 1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.186 -20.384 -0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.138 -19.549 -1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.743 -21.933 -0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.419 -22.437 -0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.370 -22.501 -2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.608 -21.339 -2.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.984 -20.850 -2.737 1.00 0.00 H new