USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=15 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 11 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 SER OG : rot -150:sc= -1.25 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=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= -0.0261 USER MOD Single : A 66 LYS NZ :NH3+ 152:sc= -0.0106 (180deg=-1.25) USER MOD Single : A 67 GLN : amide:sc= -0.185 K(o=-0.19,f=-2.2!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -136:sc= 0.0123 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -11.7! C(o=-12!,f=-16!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.65 K(o=-0.65,f=-2!) USER MOD Single : A 106 GLN : amide:sc=-0.00969 X(o=-0.0097,f=0) USER MOD Single : A 107 ASN : amide:sc=-0.000791 X(o=-0.00079,f=0) USER MOD Single : A 108 SER OG : rot -68:sc= -0.278 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 117 MET CE :methyl 171:sc= -2.14! (180deg=-2.52) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -12.358 -12.002 7.416 1.00 0.00 N ATOM 70 CA PRO A 9 -11.181 -11.276 6.970 1.00 0.00 C ATOM 71 C PRO A 9 -10.056 -11.370 8.003 1.00 0.00 C ATOM 72 O PRO A 9 -10.315 -11.497 9.200 1.00 0.00 O ATOM 73 CB PRO A 9 -11.660 -9.852 6.742 1.00 0.00 C ATOM 74 CG PRO A 9 -12.967 -9.724 7.507 1.00 0.00 C ATOM 75 CD PRO A 9 -13.429 -11.123 7.878 1.00 0.00 C ATOM 0 HA PRO A 9 -10.753 -11.689 6.057 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.925 -9.131 7.100 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.808 -9.655 5.680 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.827 -9.118 8.402 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.719 -9.223 6.897 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.583 -11.217 8.953 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.377 -11.367 7.398 1.00 0.00 H new ATOM 80 N LYS A 10 -8.830 -11.303 7.504 1.00 0.00 N ATOM 81 CA LYS A 10 -7.665 -11.378 8.369 1.00 0.00 C ATOM 82 C LYS A 10 -7.219 -9.963 8.741 1.00 0.00 C ATOM 83 O LYS A 10 -7.028 -9.119 7.867 1.00 0.00 O ATOM 84 CB LYS A 10 -6.566 -12.217 7.714 1.00 0.00 C ATOM 85 CG LYS A 10 -5.190 -11.587 7.936 1.00 0.00 C ATOM 86 CD LYS A 10 -4.072 -12.580 7.606 1.00 0.00 C ATOM 87 CE LYS A 10 -2.820 -12.290 8.435 1.00 0.00 C ATOM 88 NZ LYS A 10 -1.678 -13.097 7.948 1.00 0.00 N ATOM 0 H LYS A 10 -8.618 -11.198 6.512 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.913 -11.889 9.299 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.579 -13.226 8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.761 -12.307 6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.088 -10.699 7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.098 -11.262 8.972 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.414 -13.596 7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.831 -12.523 6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.575 -11.230 8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.011 -12.515 9.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.836 -12.888 8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.909 -14.108 8.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.486 -12.862 6.953 1.00 0.00 H new ATOM 98 N THR A 11 -7.064 -9.748 10.038 1.00 0.00 N ATOM 99 CA THR A 11 -6.644 -8.449 10.537 1.00 0.00 C ATOM 100 C THR A 11 -5.300 -8.565 11.259 1.00 0.00 C ATOM 101 O THR A 11 -5.013 -9.584 11.885 1.00 0.00 O ATOM 102 CB THR A 11 -7.763 -7.897 11.421 1.00 0.00 C ATOM 103 OG1 THR A 11 -8.743 -7.435 10.496 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.342 -6.636 12.179 1.00 0.00 C ATOM 0 H THR A 11 -7.222 -10.451 10.760 1.00 0.00 H new ATOM 0 HA THR A 11 -6.480 -7.746 9.720 1.00 0.00 H new ATOM 0 HB THR A 11 -8.073 -8.662 12.133 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.505 -7.062 10.986 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.173 -6.285 12.791 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.490 -6.864 12.819 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.063 -5.859 11.467 1.00 0.00 H new ATOM 112 N VAL A 12 -4.511 -7.507 11.147 1.00 0.00 N ATOM 113 CA VAL A 12 -3.204 -7.475 11.782 1.00 0.00 C ATOM 114 C VAL A 12 -2.939 -6.071 12.325 1.00 0.00 C ATOM 115 O VAL A 12 -3.085 -5.085 11.606 1.00 0.00 O ATOM 116 CB VAL A 12 -2.133 -7.947 10.795 1.00 0.00 C ATOM 117 CG1 VAL A 12 -1.947 -9.464 10.872 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.469 -7.507 9.369 1.00 0.00 C ATOM 0 H VAL A 12 -4.752 -6.664 10.625 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.173 -8.161 12.629 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.189 -7.479 11.076 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.181 -9.773 10.161 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.640 -9.742 11.880 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.888 -9.959 10.630 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.692 -7.855 8.688 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.428 -7.932 9.073 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.527 -6.419 9.328 1.00 0.00 H new ATOM 128 N THR A 13 -2.552 -6.025 13.592 1.00 0.00 N ATOM 129 CA THR A 13 -2.265 -4.758 14.242 1.00 0.00 C ATOM 130 C THR A 13 -0.757 -4.498 14.260 1.00 0.00 C ATOM 131 O THR A 13 0.037 -5.435 14.334 1.00 0.00 O ATOM 132 CB THR A 13 -2.895 -4.786 15.636 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.243 -5.181 15.399 1.00 0.00 O ATOM 134 CG2 THR A 13 -3.017 -3.391 16.252 1.00 0.00 C ATOM 0 H THR A 13 -2.431 -6.846 14.186 1.00 0.00 H new ATOM 0 HA THR A 13 -2.700 -3.924 13.692 1.00 0.00 H new ATOM 0 HB THR A 13 -2.298 -5.420 16.292 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.725 -5.227 16.251 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.470 -3.468 17.240 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.027 -2.945 16.341 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.641 -2.765 15.614 1.00 0.00 H new ATOM 142 N LEU A 14 -0.407 -3.221 14.195 1.00 0.00 N ATOM 143 CA LEU A 14 0.990 -2.827 14.204 1.00 0.00 C ATOM 144 C LEU A 14 1.180 -1.660 15.175 1.00 0.00 C ATOM 145 O LEU A 14 0.233 -0.935 15.473 1.00 0.00 O ATOM 146 CB LEU A 14 1.472 -2.528 12.783 1.00 0.00 C ATOM 147 CG LEU A 14 1.463 -3.708 11.808 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.117 -3.814 11.089 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.633 -3.619 10.827 1.00 0.00 C ATOM 0 H LEU A 14 -1.068 -2.446 14.136 1.00 0.00 H new ATOM 0 HA LEU A 14 1.614 -3.646 14.562 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.849 -1.736 12.369 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.488 -2.138 12.840 1.00 0.00 H new ATOM 0 HG LEU A 14 1.595 -4.626 12.381 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.137 -4.660 10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.676 -3.960 11.822 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.070 -2.897 10.530 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.602 -4.470 10.146 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.559 -2.694 10.256 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.573 -3.630 11.379 1.00 0.00 H new ATOM 160 N LYS A 15 2.412 -1.514 15.642 1.00 0.00 N ATOM 161 CA LYS A 15 2.738 -0.449 16.573 1.00 0.00 C ATOM 162 C LYS A 15 3.929 0.348 16.035 1.00 0.00 C ATOM 163 O LYS A 15 4.990 -0.217 15.774 1.00 0.00 O ATOM 164 CB LYS A 15 2.961 -1.014 17.978 1.00 0.00 C ATOM 165 CG LYS A 15 1.672 -1.621 18.536 1.00 0.00 C ATOM 166 CD LYS A 15 1.494 -1.266 20.013 1.00 0.00 C ATOM 167 CE LYS A 15 0.784 -2.394 20.766 1.00 0.00 C ATOM 168 NZ LYS A 15 1.717 -3.058 21.703 1.00 0.00 N ATOM 0 H LYS A 15 3.196 -2.117 15.392 1.00 0.00 H new ATOM 0 HA LYS A 15 1.903 0.246 16.662 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.742 -1.774 17.949 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.311 -0.223 18.641 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.818 -1.257 17.965 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.695 -2.704 18.419 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.468 -1.078 20.466 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.918 -0.345 20.103 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.068 -1.993 21.315 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.392 -3.123 20.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.220 -3.821 22.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.517 -3.458 21.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.071 -2.363 22.391 1.00 0.00 H new ATOM 178 N ARG A 16 3.713 1.646 15.883 1.00 0.00 N ATOM 179 CA ARG A 16 4.754 2.525 15.380 1.00 0.00 C ATOM 180 C ARG A 16 6.073 2.256 16.109 1.00 0.00 C ATOM 181 O ARG A 16 6.198 2.538 17.300 1.00 0.00 O ATOM 182 CB ARG A 16 4.370 3.994 15.561 1.00 0.00 C ATOM 183 CG ARG A 16 5.382 4.913 14.874 1.00 0.00 C ATOM 184 CD ARG A 16 4.675 5.927 13.970 1.00 0.00 C ATOM 185 NE ARG A 16 5.544 7.105 13.755 1.00 0.00 N ATOM 186 CZ ARG A 16 5.339 8.025 12.802 1.00 0.00 C ATOM 187 NH1 ARG A 16 4.294 7.910 11.974 1.00 0.00 N ATOM 188 NH2 ARG A 16 6.181 9.062 12.681 1.00 0.00 N ATOM 0 H ARG A 16 2.831 2.110 16.100 1.00 0.00 H new ATOM 0 HA ARG A 16 4.874 2.322 14.316 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.376 4.168 15.148 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.319 4.232 16.623 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.971 5.439 15.626 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.078 4.317 14.284 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.431 5.465 13.013 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.734 6.237 14.424 1.00 0.00 H new ATOM 0 HE ARG A 16 6.349 7.224 14.370 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.653 7.122 12.068 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.138 8.610 11.249 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.976 9.150 13.314 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.026 9.763 11.956 1.00 0.00 H new ATOM 264 N GLY A 22 7.638 -1.285 10.386 1.00 0.00 N ATOM 265 CA GLY A 22 8.312 -2.530 10.057 1.00 0.00 C ATOM 266 C GLY A 22 8.154 -2.862 8.571 1.00 0.00 C ATOM 267 O GLY A 22 8.932 -2.394 7.741 1.00 0.00 O ATOM 0 HA2 GLY A 22 9.370 -2.452 10.305 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.902 -3.340 10.660 1.00 0.00 H new ATOM 271 N PHE A 23 7.142 -3.667 8.282 1.00 0.00 N ATOM 272 CA PHE A 23 6.873 -4.067 6.911 1.00 0.00 C ATOM 273 C PHE A 23 6.880 -2.856 5.974 1.00 0.00 C ATOM 274 O PHE A 23 6.868 -1.715 6.431 1.00 0.00 O ATOM 275 CB PHE A 23 5.480 -4.701 6.895 1.00 0.00 C ATOM 276 CG PHE A 23 4.336 -3.685 6.900 1.00 0.00 C ATOM 277 CD1 PHE A 23 3.877 -3.182 8.077 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.776 -3.287 5.726 1.00 0.00 C ATOM 279 CE1 PHE A 23 2.815 -2.240 8.082 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.712 -2.346 5.731 1.00 0.00 C ATOM 281 CZ PHE A 23 2.255 -1.843 6.908 1.00 0.00 C ATOM 0 H PHE A 23 6.499 -4.053 8.973 1.00 0.00 H new ATOM 0 HA PHE A 23 7.640 -4.761 6.569 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.389 -5.332 6.011 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.378 -5.352 7.763 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.321 -3.499 9.009 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.140 -3.686 4.791 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.452 -1.839 9.017 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.266 -2.030 4.799 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.446 -1.127 6.911 1.00 0.00 H new ATOM 290 N THR A 24 6.900 -3.149 4.682 1.00 0.00 N ATOM 291 CA THR A 24 6.908 -2.097 3.678 1.00 0.00 C ATOM 292 C THR A 24 6.027 -2.487 2.491 1.00 0.00 C ATOM 293 O THR A 24 5.699 -3.661 2.315 1.00 0.00 O ATOM 294 CB THR A 24 8.364 -1.825 3.292 1.00 0.00 C ATOM 295 OG1 THR A 24 8.300 -0.627 2.522 1.00 0.00 O ATOM 296 CG2 THR A 24 8.914 -2.866 2.316 1.00 0.00 C ATOM 0 H THR A 24 6.911 -4.098 4.307 1.00 0.00 H new ATOM 0 HA THR A 24 6.482 -1.173 4.068 1.00 0.00 H new ATOM 0 HB THR A 24 8.981 -1.808 4.190 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.202 -0.376 2.232 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.950 -2.627 2.075 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.867 -3.854 2.773 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.318 -2.860 1.403 1.00 0.00 H new ATOM 304 N LEU A 25 5.669 -1.483 1.705 1.00 0.00 N ATOM 305 CA LEU A 25 4.832 -1.706 0.538 1.00 0.00 C ATOM 306 C LEU A 25 5.674 -1.538 -0.728 1.00 0.00 C ATOM 307 O LEU A 25 6.853 -1.194 -0.652 1.00 0.00 O ATOM 308 CB LEU A 25 3.599 -0.801 0.582 1.00 0.00 C ATOM 309 CG LEU A 25 2.719 -0.926 1.826 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.604 -2.385 2.274 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.229 -0.021 2.952 1.00 0.00 C ATOM 0 H LEU A 25 5.943 -0.512 1.853 1.00 0.00 H new ATOM 0 HA LEU A 25 4.449 -2.727 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.930 0.234 0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.987 -1.012 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 25 1.715 -0.588 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.973 -2.445 3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.162 -2.978 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.595 -2.773 2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.586 -0.129 3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.248 -0.306 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.217 1.017 2.618 1.00 0.00 H new ATOM 322 N ARG A 26 5.036 -1.788 -1.862 1.00 0.00 N ATOM 323 CA ARG A 26 5.712 -1.668 -3.143 1.00 0.00 C ATOM 324 C ARG A 26 4.710 -1.823 -4.288 1.00 0.00 C ATOM 325 O ARG A 26 3.895 -2.745 -4.285 1.00 0.00 O ATOM 326 CB ARG A 26 6.808 -2.724 -3.288 1.00 0.00 C ATOM 327 CG ARG A 26 7.438 -2.674 -4.682 1.00 0.00 C ATOM 328 CD ARG A 26 8.949 -2.459 -4.593 1.00 0.00 C ATOM 329 NE ARG A 26 9.413 -1.649 -5.742 1.00 0.00 N ATOM 330 CZ ARG A 26 9.062 -0.373 -5.952 1.00 0.00 C ATOM 331 NH1 ARG A 26 8.242 0.247 -5.094 1.00 0.00 N ATOM 332 NH2 ARG A 26 9.531 0.284 -7.022 1.00 0.00 N ATOM 0 H ARG A 26 4.058 -2.073 -1.921 1.00 0.00 H new ATOM 0 HA ARG A 26 6.168 -0.679 -3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.576 -2.562 -2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.389 -3.714 -3.110 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.230 -3.603 -5.213 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.986 -1.868 -5.261 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.199 -1.956 -3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.462 -3.421 -4.585 1.00 0.00 H new ATOM 0 HE ARG A 26 10.039 -2.090 -6.416 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.884 -0.252 -4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.975 1.218 -5.255 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.155 -0.187 -7.677 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.264 1.255 -7.182 1.00 0.00 H new ATOM 862 N ILE A 63 -2.207 -2.869 -3.354 1.00 0.00 N ATOM 863 CA ILE A 63 -1.082 -2.783 -2.438 1.00 0.00 C ATOM 864 C ILE A 63 -0.619 -4.194 -2.074 1.00 0.00 C ATOM 865 O ILE A 63 -1.439 -5.077 -1.825 1.00 0.00 O ATOM 866 CB ILE A 63 -1.444 -1.923 -1.225 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.493 -0.440 -1.601 1.00 0.00 C ATOM 868 CG2 ILE A 63 -0.486 -2.187 -0.062 1.00 0.00 C ATOM 869 CD1 ILE A 63 -2.903 0.125 -1.411 1.00 0.00 C ATOM 0 HA ILE A 63 -0.239 -2.283 -2.915 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.443 -2.205 -0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.787 0.119 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.183 -0.313 -2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.765 -1.564 0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.542 -3.237 0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.533 -1.949 -0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.912 1.180 -1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.602 -0.420 -2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.200 0.018 -0.368 1.00 0.00 H new ATOM 880 N PHE A 64 0.696 -4.365 -2.054 1.00 0.00 N ATOM 881 CA PHE A 64 1.278 -5.654 -1.724 1.00 0.00 C ATOM 882 C PHE A 64 2.530 -5.486 -0.861 1.00 0.00 C ATOM 883 O PHE A 64 3.320 -4.567 -1.078 1.00 0.00 O ATOM 884 CB PHE A 64 1.669 -6.320 -3.045 1.00 0.00 C ATOM 885 CG PHE A 64 0.512 -6.465 -4.036 1.00 0.00 C ATOM 886 CD1 PHE A 64 -0.637 -7.083 -3.654 1.00 0.00 C ATOM 887 CD2 PHE A 64 0.632 -5.974 -5.298 1.00 0.00 C ATOM 888 CE1 PHE A 64 -1.711 -7.217 -4.572 1.00 0.00 C ATOM 889 CE2 PHE A 64 -0.442 -6.108 -6.218 1.00 0.00 C ATOM 890 CZ PHE A 64 -1.591 -6.727 -5.835 1.00 0.00 C ATOM 0 H PHE A 64 1.374 -3.632 -2.261 1.00 0.00 H new ATOM 0 HA PHE A 64 0.561 -6.253 -1.163 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.463 -5.738 -3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.079 -7.308 -2.835 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.733 -7.472 -2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.544 -5.482 -5.601 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.624 -7.708 -4.268 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.346 -5.719 -7.221 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.408 -6.829 -6.534 1.00 0.00 H new ATOM 899 N VAL A 65 2.674 -6.387 0.099 1.00 0.00 N ATOM 900 CA VAL A 65 3.818 -6.350 0.995 1.00 0.00 C ATOM 901 C VAL A 65 5.089 -6.671 0.206 1.00 0.00 C ATOM 902 O VAL A 65 5.047 -7.418 -0.769 1.00 0.00 O ATOM 903 CB VAL A 65 3.590 -7.301 2.173 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.845 -7.408 3.042 1.00 0.00 C ATOM 905 CG2 VAL A 65 2.382 -6.861 3.005 1.00 0.00 C ATOM 0 H VAL A 65 2.018 -7.147 0.276 1.00 0.00 H new ATOM 0 HA VAL A 65 3.941 -5.353 1.417 1.00 0.00 H new ATOM 0 HB VAL A 65 3.377 -8.291 1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.656 -8.089 3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.672 -7.787 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.102 -6.423 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.241 -7.553 3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.554 -5.857 3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.490 -6.860 2.379 1.00 0.00 H new ATOM 915 N LYS A 66 6.189 -6.087 0.659 1.00 0.00 N ATOM 916 CA LYS A 66 7.471 -6.301 0.008 1.00 0.00 C ATOM 917 C LYS A 66 8.442 -6.943 1.001 1.00 0.00 C ATOM 918 O LYS A 66 9.150 -7.888 0.659 1.00 0.00 O ATOM 919 CB LYS A 66 7.988 -4.996 -0.601 1.00 0.00 C ATOM 920 CG LYS A 66 9.497 -5.058 -0.833 1.00 0.00 C ATOM 921 CD LYS A 66 10.039 -3.703 -1.294 1.00 0.00 C ATOM 922 CE LYS A 66 11.478 -3.831 -1.797 1.00 0.00 C ATOM 923 NZ LYS A 66 11.721 -2.890 -2.914 1.00 0.00 N ATOM 0 H LYS A 66 6.219 -5.467 1.468 1.00 0.00 H new ATOM 0 HA LYS A 66 7.363 -6.994 -0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.479 -4.805 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.753 -4.163 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.998 -5.360 0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.722 -5.817 -1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.407 -3.305 -2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.000 -2.992 -0.469 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.174 -3.627 -0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.665 -4.853 -2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.728 -2.630 -2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.461 -3.344 -3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.145 -2.035 -2.779 1.00 0.00 H new ATOM 933 N GLN A 67 8.443 -6.404 2.210 1.00 0.00 N ATOM 934 CA GLN A 67 9.316 -6.912 3.255 1.00 0.00 C ATOM 935 C GLN A 67 8.580 -6.932 4.598 1.00 0.00 C ATOM 936 O GLN A 67 7.544 -6.288 4.752 1.00 0.00 O ATOM 937 CB GLN A 67 10.600 -6.087 3.347 1.00 0.00 C ATOM 938 CG GLN A 67 10.392 -4.841 4.212 1.00 0.00 C ATOM 939 CD GLN A 67 11.092 -4.990 5.565 1.00 0.00 C ATOM 940 OE1 GLN A 67 12.020 -5.765 5.731 1.00 0.00 O ATOM 941 NE2 GLN A 67 10.597 -4.208 6.519 1.00 0.00 N ATOM 0 H GLN A 67 7.853 -5.620 2.490 1.00 0.00 H new ATOM 0 HA GLN A 67 9.598 -7.934 3.001 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.399 -6.697 3.768 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.918 -5.791 2.347 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.779 -3.964 3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.326 -4.675 4.366 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.819 -3.582 6.312 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.995 -4.234 7.458 1.00 0.00 H new ATOM 948 N VAL A 68 9.146 -7.680 5.534 1.00 0.00 N ATOM 949 CA VAL A 68 8.558 -7.792 6.858 1.00 0.00 C ATOM 950 C VAL A 68 9.664 -7.712 7.912 1.00 0.00 C ATOM 951 O VAL A 68 10.446 -8.647 8.070 1.00 0.00 O ATOM 952 CB VAL A 68 7.731 -9.076 6.956 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.493 -9.466 8.416 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.407 -8.934 6.204 1.00 0.00 C ATOM 0 H VAL A 68 10.005 -8.214 5.402 1.00 0.00 H new ATOM 0 HA VAL A 68 7.873 -6.964 7.043 1.00 0.00 H new ATOM 0 HB VAL A 68 8.300 -9.877 6.484 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.903 -10.382 8.456 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.451 -9.629 8.910 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.955 -8.665 8.924 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.839 -9.860 6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.831 -8.114 6.633 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.606 -8.726 5.153 1.00 0.00 H new ATOM 964 N LYS A 69 9.694 -6.584 8.607 1.00 0.00 N ATOM 965 CA LYS A 69 10.691 -6.369 9.641 1.00 0.00 C ATOM 966 C LYS A 69 10.850 -7.649 10.465 1.00 0.00 C ATOM 967 O LYS A 69 10.058 -7.911 11.369 1.00 0.00 O ATOM 968 CB LYS A 69 10.338 -5.138 10.480 1.00 0.00 C ATOM 969 CG LYS A 69 11.599 -4.474 11.038 1.00 0.00 C ATOM 970 CD LYS A 69 12.394 -5.451 11.906 1.00 0.00 C ATOM 971 CE LYS A 69 13.494 -4.723 12.681 1.00 0.00 C ATOM 972 NZ LYS A 69 14.525 -5.681 13.141 1.00 0.00 N ATOM 0 H LYS A 69 9.044 -5.810 8.474 1.00 0.00 H new ATOM 0 HA LYS A 69 11.662 -6.154 9.194 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.786 -4.423 9.869 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.682 -5.429 11.301 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.223 -4.121 10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.324 -3.599 11.627 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.723 -5.952 12.604 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.837 -6.224 11.278 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.952 -3.963 12.047 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.062 -4.205 13.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.264 -5.170 13.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.087 -6.390 13.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.949 -6.156 12.319 1.00 0.00 H new ATOM 982 N GLU A 70 11.878 -8.411 10.124 1.00 0.00 N ATOM 983 CA GLU A 70 12.150 -9.656 10.821 1.00 0.00 C ATOM 984 C GLU A 70 12.383 -9.392 12.310 1.00 0.00 C ATOM 985 O GLU A 70 13.522 -9.225 12.743 1.00 0.00 O ATOM 986 CB GLU A 70 13.346 -10.382 10.200 1.00 0.00 C ATOM 987 CG GLU A 70 13.431 -11.825 10.701 1.00 0.00 C ATOM 988 CD GLU A 70 14.040 -12.740 9.636 1.00 0.00 C ATOM 989 OE1 GLU A 70 13.308 -13.056 8.672 1.00 0.00 O ATOM 990 OE2 GLU A 70 15.225 -13.102 9.809 1.00 0.00 O ATOM 0 H GLU A 70 12.533 -8.190 9.374 1.00 0.00 H new ATOM 0 HA GLU A 70 11.279 -10.304 10.719 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.256 -10.375 9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.266 -9.852 10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.035 -11.864 11.608 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.435 -12.181 10.966 1.00 0.00 H new ATOM 995 N GLY A 71 11.285 -9.362 13.052 1.00 0.00 N ATOM 996 CA GLY A 71 11.355 -9.121 14.483 1.00 0.00 C ATOM 997 C GLY A 71 10.749 -7.763 14.839 1.00 0.00 C ATOM 998 O GLY A 71 11.088 -7.179 15.868 1.00 0.00 O ATOM 0 H GLY A 71 10.342 -9.501 12.689 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.825 -9.911 15.015 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.394 -9.157 14.811 1.00 0.00 H new ATOM 1002 N GLY A 72 9.862 -7.299 13.971 1.00 0.00 N ATOM 1003 CA GLY A 72 9.205 -6.020 14.182 1.00 0.00 C ATOM 1004 C GLY A 72 7.731 -6.214 14.539 1.00 0.00 C ATOM 1005 O GLY A 72 7.359 -7.225 15.135 1.00 0.00 O ATOM 0 H GLY A 72 9.583 -7.786 13.120 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.708 -5.476 14.982 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.288 -5.412 13.281 1.00 0.00 H new ATOM 1009 N PRO A 73 6.907 -5.204 14.148 1.00 0.00 N ATOM 1010 CA PRO A 73 5.481 -5.254 14.421 1.00 0.00 C ATOM 1011 C PRO A 73 4.777 -6.236 13.482 1.00 0.00 C ATOM 1012 O PRO A 73 4.298 -7.281 13.918 1.00 0.00 O ATOM 1013 CB PRO A 73 4.998 -3.822 14.253 1.00 0.00 C ATOM 1014 CG PRO A 73 6.072 -3.112 13.444 1.00 0.00 C ATOM 1015 CD PRO A 73 7.311 -3.994 13.441 1.00 0.00 C ATOM 0 HA PRO A 73 5.257 -5.621 15.423 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.037 -3.792 13.739 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.857 -3.341 15.221 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.728 -2.934 12.425 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.297 -2.138 13.879 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.634 -4.219 12.425 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.147 -3.504 13.940 1.00 0.00 H new ATOM 1020 N ALA A 74 4.737 -5.864 12.211 1.00 0.00 N ATOM 1021 CA ALA A 74 4.100 -6.699 11.207 1.00 0.00 C ATOM 1022 C ALA A 74 4.499 -8.158 11.435 1.00 0.00 C ATOM 1023 O ALA A 74 3.654 -9.051 11.393 1.00 0.00 O ATOM 1024 CB ALA A 74 4.480 -6.201 9.812 1.00 0.00 C ATOM 0 H ALA A 74 5.135 -4.996 11.854 1.00 0.00 H new ATOM 0 HA ALA A 74 3.015 -6.638 11.290 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.002 -6.828 9.059 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.147 -5.170 9.691 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.562 -6.250 9.691 1.00 0.00 H new ATOM 1030 N PHE A 75 5.788 -8.355 11.671 1.00 0.00 N ATOM 1031 CA PHE A 75 6.311 -9.691 11.906 1.00 0.00 C ATOM 1032 C PHE A 75 5.518 -10.404 13.004 1.00 0.00 C ATOM 1033 O PHE A 75 5.074 -11.535 12.819 1.00 0.00 O ATOM 1034 CB PHE A 75 7.762 -9.529 12.361 1.00 0.00 C ATOM 1035 CG PHE A 75 8.323 -10.750 13.096 1.00 0.00 C ATOM 1036 CD1 PHE A 75 8.475 -11.929 12.435 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.668 -10.656 14.407 1.00 0.00 C ATOM 1038 CE1 PHE A 75 8.995 -13.061 13.116 1.00 0.00 C ATOM 1039 CE2 PHE A 75 9.190 -11.787 15.088 1.00 0.00 C ATOM 1040 CZ PHE A 75 9.341 -12.967 14.428 1.00 0.00 C ATOM 0 H PHE A 75 6.486 -7.612 11.705 1.00 0.00 H new ATOM 0 HA PHE A 75 6.235 -10.287 10.996 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.385 -9.324 11.490 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.832 -8.660 13.015 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.200 -12.004 11.393 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.545 -9.720 14.931 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.116 -13.998 12.592 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.467 -11.711 16.129 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.735 -13.829 14.946 1.00 0.00 H new ATOM 1049 N GLU A 76 5.368 -9.713 14.125 1.00 0.00 N ATOM 1050 CA GLU A 76 4.638 -10.264 15.252 1.00 0.00 C ATOM 1051 C GLU A 76 3.179 -10.519 14.869 1.00 0.00 C ATOM 1052 O GLU A 76 2.653 -11.607 15.100 1.00 0.00 O ATOM 1053 CB GLU A 76 4.731 -9.343 16.470 1.00 0.00 C ATOM 1054 CG GLU A 76 6.189 -9.009 16.795 1.00 0.00 C ATOM 1055 CD GLU A 76 6.644 -9.723 18.069 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.258 -10.900 18.229 1.00 0.00 O ATOM 1057 OE2 GLU A 76 7.367 -9.073 18.856 1.00 0.00 O ATOM 0 H GLU A 76 5.740 -8.776 14.276 1.00 0.00 H new ATOM 0 HA GLU A 76 5.094 -11.217 15.522 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.178 -8.424 16.278 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.264 -9.823 17.330 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.827 -9.302 15.962 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.300 -7.932 16.918 1.00 0.00 H new ATOM 1062 N ALA A 77 2.567 -9.497 14.287 1.00 0.00 N ATOM 1063 CA ALA A 77 1.179 -9.597 13.868 1.00 0.00 C ATOM 1064 C ALA A 77 0.991 -10.866 13.035 1.00 0.00 C ATOM 1065 O ALA A 77 -0.118 -11.383 12.926 1.00 0.00 O ATOM 1066 CB ALA A 77 0.785 -8.333 13.103 1.00 0.00 C ATOM 0 H ALA A 77 3.007 -8.597 14.096 1.00 0.00 H new ATOM 0 HA ALA A 77 0.521 -9.672 14.734 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.256 -8.408 12.789 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.907 -7.464 13.749 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.422 -8.225 12.225 1.00 0.00 H new ATOM 1072 N GLY A 78 2.095 -11.329 12.467 1.00 0.00 N ATOM 1073 CA GLY A 78 2.067 -12.529 11.645 1.00 0.00 C ATOM 1074 C GLY A 78 1.963 -12.174 10.161 1.00 0.00 C ATOM 1075 O GLY A 78 1.533 -12.994 9.352 1.00 0.00 O ATOM 0 H GLY A 78 3.014 -10.896 12.559 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.969 -13.115 11.820 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.221 -13.152 11.934 1.00 0.00 H new ATOM 1079 N LEU A 79 2.364 -10.951 9.849 1.00 0.00 N ATOM 1080 CA LEU A 79 2.322 -10.477 8.475 1.00 0.00 C ATOM 1081 C LEU A 79 3.385 -11.211 7.655 1.00 0.00 C ATOM 1082 O LEU A 79 4.302 -11.812 8.214 1.00 0.00 O ATOM 1083 CB LEU A 79 2.453 -8.954 8.430 1.00 0.00 C ATOM 1084 CG LEU A 79 1.713 -8.251 7.289 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.237 -8.047 7.637 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.401 -6.936 6.918 1.00 0.00 C ATOM 0 H LEU A 79 2.720 -10.273 10.523 1.00 0.00 H new ATOM 0 HA LEU A 79 1.357 -10.704 8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.091 -8.550 9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.511 -8.702 8.360 1.00 0.00 H new ATOM 0 HG LEU A 79 1.751 -8.894 6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.266 -7.546 6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.232 -9.015 7.814 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.156 -7.435 8.535 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.855 -6.457 6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.415 -6.275 7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.424 -7.138 6.599 1.00 0.00 H new ATOM 1097 N CYS A 80 3.225 -11.139 6.340 1.00 0.00 N ATOM 1098 CA CYS A 80 4.160 -11.789 5.438 1.00 0.00 C ATOM 1099 C CYS A 80 4.240 -10.963 4.152 1.00 0.00 C ATOM 1100 O CYS A 80 3.802 -9.813 4.121 1.00 0.00 O ATOM 1101 CB CYS A 80 3.763 -13.239 5.161 1.00 0.00 C ATOM 1102 SG CYS A 80 5.226 -14.328 5.303 1.00 0.00 S ATOM 0 H CYS A 80 2.463 -10.641 5.880 1.00 0.00 H new ATOM 0 HA CYS A 80 5.145 -11.834 5.902 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.995 -13.555 5.866 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.333 -13.322 4.163 1.00 0.00 H new ATOM 0 HG CYS A 80 4.876 -15.558 5.068 1.00 0.00 H new ATOM 1107 N THR A 81 4.799 -11.581 3.123 1.00 0.00 N ATOM 1108 CA THR A 81 4.942 -10.916 1.838 1.00 0.00 C ATOM 1109 C THR A 81 3.901 -11.445 0.847 1.00 0.00 C ATOM 1110 O THR A 81 3.395 -12.554 1.006 1.00 0.00 O ATOM 1111 CB THR A 81 6.382 -11.108 1.364 1.00 0.00 C ATOM 1112 OG1 THR A 81 7.076 -9.984 1.902 1.00 0.00 O ATOM 1113 CG2 THR A 81 6.528 -10.945 -0.150 1.00 0.00 C ATOM 0 H THR A 81 5.159 -12.535 3.152 1.00 0.00 H new ATOM 0 HA THR A 81 4.753 -9.846 1.923 1.00 0.00 H new ATOM 0 HB THR A 81 6.732 -12.098 1.657 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.672 -9.610 1.220 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.570 -11.091 -0.433 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.907 -11.684 -0.657 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.211 -9.944 -0.440 1.00 0.00 H new ATOM 1121 N GLY A 82 3.613 -10.624 -0.152 1.00 0.00 N ATOM 1122 CA GLY A 82 2.643 -10.994 -1.168 1.00 0.00 C ATOM 1123 C GLY A 82 1.224 -10.615 -0.736 1.00 0.00 C ATOM 1124 O GLY A 82 0.327 -10.503 -1.569 1.00 0.00 O ATOM 0 H GLY A 82 4.034 -9.704 -0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.886 -10.496 -2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.696 -12.067 -1.353 1.00 0.00 H new ATOM 1128 N ASP A 83 1.068 -10.425 0.565 1.00 0.00 N ATOM 1129 CA ASP A 83 -0.225 -10.059 1.118 1.00 0.00 C ATOM 1130 C ASP A 83 -0.624 -8.677 0.599 1.00 0.00 C ATOM 1131 O ASP A 83 0.236 -7.863 0.267 1.00 0.00 O ATOM 1132 CB ASP A 83 -0.173 -9.995 2.645 1.00 0.00 C ATOM 1133 CG ASP A 83 -0.285 -11.345 3.354 1.00 0.00 C ATOM 1134 OD1 ASP A 83 -1.275 -12.054 3.073 1.00 0.00 O ATOM 1135 OD2 ASP A 83 0.621 -11.638 4.165 1.00 0.00 O ATOM 0 H ASP A 83 1.815 -10.518 1.253 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.948 -10.816 0.814 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.763 -9.523 2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.980 -9.351 2.994 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.929 -8.455 0.544 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.454 -7.184 0.070 1.00 0.00 C ATOM 1141 C ARG A 84 -3.374 -6.566 1.123 1.00 0.00 C ATOM 1142 O ARG A 84 -4.204 -7.257 1.712 1.00 0.00 O ATOM 1143 CB ARG A 84 -3.229 -7.362 -1.235 1.00 0.00 C ATOM 1144 CG ARG A 84 -4.602 -7.987 -0.977 1.00 0.00 C ATOM 1145 CD ARG A 84 -5.225 -8.497 -2.278 1.00 0.00 C ATOM 1146 NE ARG A 84 -5.493 -9.949 -2.175 1.00 0.00 N ATOM 1147 CZ ARG A 84 -6.308 -10.624 -2.998 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -6.938 -9.981 -3.990 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -6.491 -11.941 -2.829 1.00 0.00 N ATOM 0 H ARG A 84 -2.639 -9.133 0.820 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.608 -6.521 -0.112 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.352 -6.396 -1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.660 -7.994 -1.917 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.504 -8.810 -0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.261 -7.250 -0.519 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.152 -7.961 -2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.553 -8.301 -3.114 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.028 -10.469 -1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.797 -8.979 -4.118 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.558 -10.493 -4.617 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.010 -12.430 -2.074 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.111 -12.454 -3.455 1.00 0.00 H new ATOM 1160 N ILE A 85 -3.196 -5.268 1.328 1.00 0.00 N ATOM 1161 CA ILE A 85 -4.000 -4.547 2.299 1.00 0.00 C ATOM 1162 C ILE A 85 -5.338 -4.161 1.664 1.00 0.00 C ATOM 1163 O ILE A 85 -5.370 -3.420 0.682 1.00 0.00 O ATOM 1164 CB ILE A 85 -3.222 -3.358 2.864 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -2.337 -3.788 4.035 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -4.165 -2.216 3.248 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.477 -4.995 3.659 1.00 0.00 C ATOM 0 H ILE A 85 -2.507 -4.698 0.838 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.225 -5.185 3.153 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.562 -2.981 2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.695 -2.959 4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.960 -4.035 4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.585 -1.384 3.647 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.715 -1.886 2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.868 -2.564 4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.858 -5.280 4.510 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.122 -5.830 3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.838 -4.737 2.815 1.00 0.00 H new ATOM 1178 N ILE A 86 -6.408 -4.680 2.248 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.743 -4.398 1.749 1.00 0.00 C ATOM 1180 C ILE A 86 -8.380 -3.301 2.603 1.00 0.00 C ATOM 1181 O ILE A 86 -9.201 -2.527 2.113 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.571 -5.683 1.680 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.641 -6.364 3.049 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -8.037 -6.623 0.598 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -9.726 -7.442 3.070 1.00 0.00 C ATOM 0 H ILE A 86 -6.378 -5.294 3.062 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.697 -4.021 0.727 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.590 -5.418 1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.675 -6.810 3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.847 -5.620 3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.644 -7.528 0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.083 -6.126 -0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.003 -6.886 0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.755 -7.910 4.054 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.694 -6.988 2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.504 -8.197 2.315 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.977 -3.268 3.864 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.499 -2.277 4.792 1.00 0.00 C ATOM 1198 C LYS A 87 -7.333 -1.598 5.513 1.00 0.00 C ATOM 1199 O LYS A 87 -6.206 -2.086 5.476 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.521 -2.913 5.734 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.755 -3.392 4.966 1.00 0.00 C ATOM 1202 CD LYS A 87 -11.250 -4.735 5.507 1.00 0.00 C ATOM 1203 CE LYS A 87 -12.017 -5.509 4.433 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.613 -6.737 5.004 1.00 0.00 N ATOM 0 H LYS A 87 -7.295 -3.911 4.266 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.039 -1.497 4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.065 -3.754 6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.819 -2.190 6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.549 -2.649 5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.514 -3.489 3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.402 -5.327 5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.894 -4.568 6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.801 -4.879 4.013 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.345 -5.770 3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.130 -7.250 4.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.859 -7.344 5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.270 -6.481 5.769 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.648 -0.481 6.154 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.640 0.271 6.883 1.00 0.00 C ATOM 1216 C VAL A 88 -7.322 1.099 7.976 1.00 0.00 C ATOM 1217 O VAL A 88 -8.135 1.972 7.681 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.818 1.121 5.915 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.872 2.055 6.671 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -5.045 0.240 4.930 1.00 0.00 C ATOM 0 H VAL A 88 -8.585 -0.079 6.184 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.940 -0.405 7.374 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.511 1.737 5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.299 2.648 5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.452 2.719 7.312 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.190 1.465 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.469 0.870 4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.369 -0.414 5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.746 -0.364 4.355 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.962 0.795 9.215 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.527 1.500 10.353 1.00 0.00 C ATOM 1232 C ASN A 89 -9.013 1.760 10.100 1.00 0.00 C ATOM 1233 O ASN A 89 -9.459 2.906 10.118 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.840 2.852 10.559 1.00 0.00 C ATOM 1235 CG ASN A 89 -6.154 3.321 9.275 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -6.782 3.789 8.340 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.832 3.168 9.282 1.00 0.00 N ATOM 0 H ASN A 89 -6.286 0.070 9.455 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.381 0.882 11.239 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -7.575 3.593 10.874 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -6.105 2.772 11.360 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.282 3.450 8.471 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.369 2.769 10.099 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.739 0.676 9.867 1.00 0.00 N ATOM 1244 CA GLY A 90 -11.166 0.772 9.610 1.00 0.00 C ATOM 1245 C GLY A 90 -11.484 1.977 8.723 1.00 0.00 C ATOM 1246 O GLY A 90 -12.511 2.631 8.903 1.00 0.00 O ATOM 0 H GLY A 90 -9.366 -0.273 9.851 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.514 -0.141 9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.704 0.859 10.554 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.584 2.236 7.786 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.756 3.351 6.871 1.00 0.00 C ATOM 1252 C GLU A 91 -11.092 2.841 5.468 1.00 0.00 C ATOM 1253 O GLU A 91 -11.734 3.541 4.686 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.509 4.237 6.847 1.00 0.00 C ATOM 1255 CG GLU A 91 -9.889 5.719 6.854 1.00 0.00 C ATOM 1256 CD GLU A 91 -10.378 6.165 5.473 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -9.835 5.636 4.480 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -11.285 7.026 5.443 1.00 0.00 O ATOM 0 H GLU A 91 -9.733 1.693 7.641 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.589 3.960 7.224 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.884 4.014 7.711 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.917 4.014 5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.669 5.895 7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.028 6.318 7.150 1.00 0.00 H new ATOM 1263 N SER A 92 -10.644 1.625 5.192 1.00 0.00 N ATOM 1264 CA SER A 92 -10.890 1.013 3.897 1.00 0.00 C ATOM 1265 C SER A 92 -10.165 1.797 2.802 1.00 0.00 C ATOM 1266 O SER A 92 -10.302 3.017 2.712 1.00 0.00 O ATOM 1267 CB SER A 92 -12.388 0.942 3.597 1.00 0.00 C ATOM 1268 OG SER A 92 -12.920 -0.359 3.834 1.00 0.00 O ATOM 0 H SER A 92 -10.112 1.047 5.843 1.00 0.00 H new ATOM 0 HA SER A 92 -10.504 -0.006 3.921 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.916 1.668 4.216 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.563 1.221 2.558 1.00 0.00 H new ATOM 0 HG SER A 92 -13.879 -0.362 3.632 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.410 1.066 1.995 1.00 0.00 N ATOM 1274 CA VAL A 93 -8.664 1.677 0.910 1.00 0.00 C ATOM 1275 C VAL A 93 -9.295 1.277 -0.425 1.00 0.00 C ATOM 1276 O VAL A 93 -8.614 0.753 -1.306 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.186 1.296 1.010 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -6.642 1.571 2.414 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -6.969 -0.168 0.616 1.00 0.00 C ATOM 0 H VAL A 93 -9.299 0.055 2.072 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.711 2.764 0.980 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.632 1.919 0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.589 1.291 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.745 2.632 2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.203 0.986 3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.910 -0.413 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.542 -0.813 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.301 -0.321 -0.411 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.589 1.541 -0.534 1.00 0.00 N ATOM 1290 CA ILE A 94 -11.320 1.215 -1.748 1.00 0.00 C ATOM 1291 C ILE A 94 -11.160 2.355 -2.755 1.00 0.00 C ATOM 1292 O ILE A 94 -11.881 3.350 -2.691 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.776 0.881 -1.422 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -12.870 -0.373 -0.551 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -13.609 0.755 -2.700 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -12.613 -1.636 -1.377 1.00 0.00 C ATOM 0 H ILE A 94 -11.150 1.977 0.198 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.909 0.319 -2.213 1.00 0.00 H new ATOM 0 HB ILE A 94 -13.194 1.706 -0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.145 -0.311 0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -13.857 -0.429 -0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -14.640 0.517 -2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.581 1.697 -3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -13.200 -0.039 -3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -12.686 -2.513 -0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -13.354 -1.707 -2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.615 -1.588 -1.814 1.00 0.00 H new ATOM 1307 N GLY A 95 -10.211 2.172 -3.662 1.00 0.00 N ATOM 1308 CA GLY A 95 -9.949 3.173 -4.682 1.00 0.00 C ATOM 1309 C GLY A 95 -8.727 4.019 -4.316 1.00 0.00 C ATOM 1310 O GLY A 95 -7.955 4.412 -5.191 1.00 0.00 O ATOM 0 H GLY A 95 -9.615 1.346 -3.711 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.784 2.685 -5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.821 3.817 -4.798 1.00 0.00 H new ATOM 1314 N LYS A 96 -8.591 4.278 -3.025 1.00 0.00 N ATOM 1315 CA LYS A 96 -7.477 5.071 -2.533 1.00 0.00 C ATOM 1316 C LYS A 96 -6.188 4.610 -3.217 1.00 0.00 C ATOM 1317 O LYS A 96 -5.953 3.410 -3.365 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.415 5.019 -1.006 1.00 0.00 C ATOM 1319 CG LYS A 96 -8.660 5.655 -0.385 1.00 0.00 C ATOM 1320 CD LYS A 96 -8.417 6.018 1.081 1.00 0.00 C ATOM 1321 CE LYS A 96 -9.325 7.171 1.517 1.00 0.00 C ATOM 1322 NZ LYS A 96 -8.579 8.449 1.513 1.00 0.00 N ATOM 0 H LYS A 96 -9.234 3.953 -2.303 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.616 6.122 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.329 3.983 -0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.523 5.540 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.933 6.550 -0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.500 4.965 -0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.601 5.147 1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.373 6.299 1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.181 7.241 0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.717 6.975 2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.210 9.220 1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.776 8.384 2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.226 8.642 0.554 1.00 0.00 H new ATOM 1332 N THR A 97 -5.385 5.586 -3.615 1.00 0.00 N ATOM 1333 CA THR A 97 -4.126 5.295 -4.280 1.00 0.00 C ATOM 1334 C THR A 97 -3.006 5.126 -3.251 1.00 0.00 C ATOM 1335 O THR A 97 -3.114 5.609 -2.125 1.00 0.00 O ATOM 1336 CB THR A 97 -3.858 6.411 -5.292 1.00 0.00 C ATOM 1337 OG1 THR A 97 -2.820 5.888 -6.118 1.00 0.00 O ATOM 1338 CG2 THR A 97 -3.231 7.648 -4.648 1.00 0.00 C ATOM 0 H THR A 97 -5.582 6.579 -3.490 1.00 0.00 H new ATOM 0 HA THR A 97 -4.173 4.350 -4.821 1.00 0.00 H new ATOM 0 HB THR A 97 -4.792 6.689 -5.780 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.585 6.547 -6.804 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.062 8.409 -5.410 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.903 8.041 -3.885 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.280 7.377 -4.189 1.00 0.00 H new ATOM 1346 N TYR A 98 -1.956 4.439 -3.675 1.00 0.00 N ATOM 1347 CA TYR A 98 -0.817 4.200 -2.804 1.00 0.00 C ATOM 1348 C TYR A 98 -0.485 5.447 -1.982 1.00 0.00 C ATOM 1349 O TYR A 98 -0.415 5.385 -0.754 1.00 0.00 O ATOM 1350 CB TYR A 98 0.361 3.884 -3.728 1.00 0.00 C ATOM 1351 CG TYR A 98 1.656 3.545 -2.988 1.00 0.00 C ATOM 1352 CD1 TYR A 98 1.624 2.727 -1.876 1.00 0.00 C ATOM 1353 CD2 TYR A 98 2.859 4.056 -3.433 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.843 2.407 -1.181 1.00 0.00 C ATOM 1355 CE2 TYR A 98 4.078 3.735 -2.739 1.00 0.00 C ATOM 1356 CZ TYR A 98 4.011 2.927 -1.646 1.00 0.00 C ATOM 1357 OH TYR A 98 5.163 2.626 -0.989 1.00 0.00 O ATOM 0 H TYR A 98 -1.869 4.040 -4.610 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.030 3.390 -2.106 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.091 3.046 -4.371 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.539 4.740 -4.379 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.683 2.327 -1.527 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.885 4.697 -4.302 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.831 1.769 -0.310 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.026 4.127 -3.078 1.00 0.00 H new ATOM 0 HH TYR A 98 5.918 3.066 -1.434 1.00 0.00 H new ATOM 1366 N SER A 99 -0.290 6.549 -2.689 1.00 0.00 N ATOM 1367 CA SER A 99 0.034 7.808 -2.040 1.00 0.00 C ATOM 1368 C SER A 99 -1.002 8.119 -0.958 1.00 0.00 C ATOM 1369 O SER A 99 -0.647 8.532 0.144 1.00 0.00 O ATOM 1370 CB SER A 99 0.100 8.949 -3.056 1.00 0.00 C ATOM 1371 OG SER A 99 1.410 9.113 -3.592 1.00 0.00 O ATOM 0 H SER A 99 -0.350 6.597 -3.706 1.00 0.00 H new ATOM 0 HA SER A 99 1.016 7.713 -1.577 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.601 8.753 -3.867 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.215 9.877 -2.579 1.00 0.00 H new ATOM 0 HG SER A 99 1.409 9.850 -4.238 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.261 7.909 -1.311 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.351 8.163 -0.384 1.00 0.00 C ATOM 1378 C GLN A 100 -3.217 7.268 0.849 1.00 0.00 C ATOM 1379 O GLN A 100 -2.998 7.757 1.957 1.00 0.00 O ATOM 1380 CB GLN A 100 -4.706 7.962 -1.063 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.154 9.236 -1.784 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.475 9.013 -2.522 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -7.351 8.293 -2.076 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -6.568 9.671 -3.674 1.00 0.00 N ATOM 0 H GLN A 100 -2.551 7.566 -2.227 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.294 9.203 -0.062 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.641 7.140 -1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.451 7.680 -0.319 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.269 10.045 -1.063 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.386 9.547 -2.492 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.796 10.258 -3.990 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.411 9.589 -4.242 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.354 5.971 0.618 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.251 5.002 1.695 1.00 0.00 C ATOM 1393 C VAL A 101 -2.001 5.300 2.525 1.00 0.00 C ATOM 1394 O VAL A 101 -2.056 5.319 3.753 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.267 3.581 1.126 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -4.637 3.245 0.532 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.158 3.394 0.090 1.00 0.00 C ATOM 0 H VAL A 101 -3.536 5.568 -0.301 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.110 5.079 2.361 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.079 2.888 1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.622 2.230 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.398 3.320 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.867 3.946 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.191 2.376 -0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.302 4.100 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.190 3.572 0.557 1.00 0.00 H new ATOM 1407 N ILE A 102 -0.901 5.524 1.820 1.00 0.00 N ATOM 1408 CA ILE A 102 0.361 5.819 2.476 1.00 0.00 C ATOM 1409 C ILE A 102 0.116 6.798 3.627 1.00 0.00 C ATOM 1410 O ILE A 102 0.625 6.604 4.730 1.00 0.00 O ATOM 1411 CB ILE A 102 1.391 6.313 1.458 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.910 5.157 0.598 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.528 7.067 2.150 1.00 0.00 C ATOM 1414 CD1 ILE A 102 3.141 4.511 1.235 1.00 0.00 C ATOM 0 H ILE A 102 -0.858 5.507 0.801 1.00 0.00 H new ATOM 0 HA ILE A 102 0.785 4.914 2.911 1.00 0.00 H new ATOM 0 HB ILE A 102 0.898 7.018 0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.126 4.410 0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.161 5.523 -0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.246 7.407 1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.123 7.927 2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.026 6.404 2.857 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.490 3.693 0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.932 5.255 1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.880 4.124 2.220 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.662 7.828 3.329 1.00 0.00 N ATOM 1426 CA ALA A 103 -0.981 8.837 4.325 1.00 0.00 C ATOM 1427 C ALA A 103 -1.784 8.194 5.458 1.00 0.00 C ATOM 1428 O ALA A 103 -1.496 8.417 6.632 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.732 9.992 3.660 1.00 0.00 C ATOM 0 H ALA A 103 -1.081 7.986 2.412 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.070 9.248 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.971 10.749 4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.107 10.433 2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.654 9.618 3.214 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.775 7.408 5.065 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.623 6.733 6.032 1.00 0.00 C ATOM 1437 C LEU A 104 -2.745 5.993 7.043 1.00 0.00 C ATOM 1438 O LEU A 104 -3.058 5.956 8.233 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.634 5.830 5.320 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.785 6.544 4.608 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.816 5.540 4.089 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -6.419 7.600 5.514 1.00 0.00 C ATOM 0 H LEU A 104 -3.010 7.223 4.090 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.215 7.457 6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.099 5.226 4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.057 5.143 6.053 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.379 7.065 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.623 6.074 3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.338 4.859 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.222 4.971 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.234 8.092 4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.808 7.122 6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.668 8.339 5.792 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.663 5.423 6.534 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.737 4.686 7.378 1.00 0.00 C ATOM 1455 C ILE A 105 0.075 5.673 8.218 1.00 0.00 C ATOM 1456 O ILE A 105 0.230 5.487 9.424 1.00 0.00 O ATOM 1457 CB ILE A 105 0.123 3.742 6.534 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.724 2.617 5.936 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.302 3.202 7.346 1.00 0.00 C ATOM 1460 CD1 ILE A 105 -0.064 2.042 4.680 1.00 0.00 C ATOM 0 H ILE A 105 -1.406 5.456 5.547 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.281 4.047 8.073 1.00 0.00 H new ATOM 0 HB ILE A 105 0.538 4.310 5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.859 1.827 6.674 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.716 2.996 5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.897 2.534 6.723 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.922 4.032 7.683 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.928 2.654 8.211 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.686 1.244 4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.047 2.829 3.935 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.917 1.642 4.935 1.00 0.00 H new ATOM 1471 N GLN A 106 0.575 6.702 7.547 1.00 0.00 N ATOM 1472 CA GLN A 106 1.367 7.718 8.216 1.00 0.00 C ATOM 1473 C GLN A 106 0.535 8.421 9.289 1.00 0.00 C ATOM 1474 O GLN A 106 1.077 8.920 10.274 1.00 0.00 O ATOM 1475 CB GLN A 106 1.929 8.726 7.211 1.00 0.00 C ATOM 1476 CG GLN A 106 2.968 8.070 6.299 1.00 0.00 C ATOM 1477 CD GLN A 106 4.140 9.018 6.034 1.00 0.00 C ATOM 1478 OE1 GLN A 106 4.945 9.309 6.903 1.00 0.00 O ATOM 1479 NE2 GLN A 106 4.192 9.480 4.788 1.00 0.00 N ATOM 0 H GLN A 106 0.446 6.852 6.546 1.00 0.00 H new ATOM 0 HA GLN A 106 2.211 7.229 8.702 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.118 9.135 6.609 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.383 9.561 7.744 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.334 7.153 6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.502 7.788 5.355 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.486 9.196 4.109 1.00 0.00 H new ATOM 0 HE22 GLN A 106 4.938 10.118 4.511 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.771 8.436 9.063 1.00 0.00 N ATOM 1487 CA ASN A 107 -1.685 9.068 10.000 1.00 0.00 C ATOM 1488 C ASN A 107 -2.364 7.993 10.849 1.00 0.00 C ATOM 1489 O ASN A 107 -3.293 8.284 11.601 1.00 0.00 O ATOM 1490 CB ASN A 107 -2.777 9.848 9.263 1.00 0.00 C ATOM 1491 CG ASN A 107 -2.318 11.274 8.953 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -2.213 12.121 9.824 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -2.053 11.491 7.668 1.00 0.00 N ATOM 0 H ASN A 107 -1.218 8.021 8.245 1.00 0.00 H new ATOM 0 HA ASN A 107 -1.109 9.753 10.622 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -3.033 9.335 8.336 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -3.681 9.877 9.871 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.741 12.412 7.360 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.162 10.737 6.990 1.00 0.00 H new ATOM 1499 N SER A 108 -1.873 6.770 10.701 1.00 0.00 N ATOM 1500 CA SER A 108 -2.422 5.650 11.446 1.00 0.00 C ATOM 1501 C SER A 108 -2.277 5.898 12.949 1.00 0.00 C ATOM 1502 O SER A 108 -2.908 5.219 13.757 1.00 0.00 O ATOM 1503 CB SER A 108 -1.733 4.340 11.056 1.00 0.00 C ATOM 1504 OG SER A 108 -0.355 4.331 11.424 1.00 0.00 O ATOM 0 H SER A 108 -1.102 6.531 10.077 1.00 0.00 H new ATOM 0 HA SER A 108 -3.480 5.562 11.200 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.242 3.505 11.537 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.822 4.190 9.980 1.00 0.00 H new ATOM 0 HG SER A 108 0.134 4.982 10.878 1.00 0.00 H new ATOM 1509 N ASP A 109 -1.444 6.875 13.277 1.00 0.00 N ATOM 1510 CA ASP A 109 -1.209 7.222 14.668 1.00 0.00 C ATOM 1511 C ASP A 109 -0.219 6.227 15.278 1.00 0.00 C ATOM 1512 O ASP A 109 0.551 5.593 14.558 1.00 0.00 O ATOM 1513 CB ASP A 109 -2.504 7.156 15.479 1.00 0.00 C ATOM 1514 CG ASP A 109 -2.592 8.151 16.639 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -2.947 9.315 16.363 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -2.302 7.721 17.776 1.00 0.00 O ATOM 0 H ASP A 109 -0.924 7.437 12.603 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.815 8.238 14.699 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.345 7.329 14.807 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.615 6.147 15.876 1.00 0.00 H new ATOM 1520 N THR A 110 -0.274 6.120 16.597 1.00 0.00 N ATOM 1521 CA THR A 110 0.608 5.212 17.311 1.00 0.00 C ATOM 1522 C THR A 110 0.529 3.808 16.708 1.00 0.00 C ATOM 1523 O THR A 110 1.534 3.272 16.242 1.00 0.00 O ATOM 1524 CB THR A 110 0.234 5.258 18.793 1.00 0.00 C ATOM 1525 OG1 THR A 110 0.603 6.572 19.205 1.00 0.00 O ATOM 1526 CG2 THR A 110 1.111 4.341 19.649 1.00 0.00 C ATOM 0 H THR A 110 -0.915 6.647 17.190 1.00 0.00 H new ATOM 0 HA THR A 110 1.650 5.515 17.214 1.00 0.00 H new ATOM 0 HB THR A 110 -0.812 4.974 18.910 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.393 6.688 20.155 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.803 4.412 20.692 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.002 3.311 19.308 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.154 4.645 19.557 1.00 0.00 H new ATOM 1534 N THR A 111 -0.673 3.252 16.737 1.00 0.00 N ATOM 1535 CA THR A 111 -0.895 1.921 16.200 1.00 0.00 C ATOM 1536 C THR A 111 -1.341 2.004 14.738 1.00 0.00 C ATOM 1537 O THR A 111 -1.722 3.072 14.262 1.00 0.00 O ATOM 1538 CB THR A 111 -1.903 1.208 17.104 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.660 2.268 17.682 1.00 0.00 O ATOM 1540 CG2 THR A 111 -1.236 0.530 18.303 1.00 0.00 C ATOM 0 H THR A 111 -1.504 3.700 17.124 1.00 0.00 H new ATOM 0 HA THR A 111 0.026 1.338 16.194 1.00 0.00 H new ATOM 0 HB THR A 111 -2.449 0.464 16.524 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.339 1.895 18.282 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.995 0.039 18.912 1.00 0.00 H new ATOM 0 HG22 THR A 111 -0.519 -0.211 17.950 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.718 1.279 18.903 1.00 0.00 H new ATOM 1548 N LEU A 112 -1.280 0.862 14.070 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.673 0.791 12.673 1.00 0.00 C ATOM 1550 C LEU A 112 -2.243 -0.597 12.376 1.00 0.00 C ATOM 1551 O LEU A 112 -1.507 -1.583 12.361 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.505 1.184 11.766 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.755 1.072 10.262 1.00 0.00 C ATOM 1554 CD1 LEU A 112 -0.069 -0.167 9.680 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -2.254 1.092 9.952 1.00 0.00 C ATOM 0 H LEU A 112 -0.964 -0.022 14.470 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.464 1.511 12.464 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.226 2.213 11.992 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.351 0.559 12.019 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.312 1.943 9.779 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.264 -0.221 8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.006 -0.102 9.851 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.460 -1.061 10.166 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.404 1.011 8.875 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.740 0.253 10.450 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.687 2.026 10.309 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.548 -0.631 12.149 1.00 0.00 N ATOM 1567 CA GLU A 113 -4.225 -1.882 11.855 1.00 0.00 C ATOM 1568 C GLU A 113 -4.346 -2.077 10.342 1.00 0.00 C ATOM 1569 O GLU A 113 -4.616 -1.125 9.609 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.599 -1.934 12.525 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.311 -3.252 12.216 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.798 -3.167 12.565 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -8.541 -2.587 11.744 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.158 -3.682 13.645 1.00 0.00 O ATOM 0 H GLU A 113 -4.155 0.189 12.163 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.628 -2.699 12.261 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.486 -1.822 13.603 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.208 -1.098 12.180 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.195 -3.493 11.159 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.847 -4.061 12.780 1.00 0.00 H new ATOM 1579 N LEU A 114 -4.140 -3.315 9.918 1.00 0.00 N ATOM 1580 CA LEU A 114 -4.224 -3.646 8.506 1.00 0.00 C ATOM 1581 C LEU A 114 -5.155 -4.846 8.322 1.00 0.00 C ATOM 1582 O LEU A 114 -5.645 -5.411 9.299 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.825 -3.859 7.923 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.881 -2.655 7.987 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.420 -3.107 8.020 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -2.155 -1.682 6.840 1.00 0.00 C ATOM 0 H LEU A 114 -3.915 -4.101 10.528 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.657 -2.817 7.945 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.357 -4.691 8.449 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.929 -4.159 6.880 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.073 -2.118 8.916 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.230 -2.233 8.065 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.252 -3.730 8.898 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.196 -3.680 7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.471 -0.836 6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -2.007 -2.191 5.888 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.182 -1.324 6.904 1.00 0.00 H new ATOM 1597 N SER A 115 -5.372 -5.200 7.063 1.00 0.00 N ATOM 1598 CA SER A 115 -6.236 -6.321 6.739 1.00 0.00 C ATOM 1599 C SER A 115 -5.828 -6.924 5.393 1.00 0.00 C ATOM 1600 O SER A 115 -5.785 -6.223 4.383 1.00 0.00 O ATOM 1601 CB SER A 115 -7.705 -5.894 6.707 1.00 0.00 C ATOM 1602 OG SER A 115 -8.020 -4.983 7.756 1.00 0.00 O ATOM 0 H SER A 115 -4.964 -4.729 6.256 1.00 0.00 H new ATOM 0 HA SER A 115 -6.123 -7.076 7.517 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.927 -5.430 5.746 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.341 -6.776 6.790 1.00 0.00 H new ATOM 0 HG SER A 115 -8.959 -5.094 8.014 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.539 -8.216 5.424 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.136 -8.921 4.219 1.00 0.00 C ATOM 1609 C VAL A 116 -6.062 -10.120 4.000 1.00 0.00 C ATOM 1610 O VAL A 116 -6.936 -10.392 4.823 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.660 -9.314 4.311 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.784 -8.091 4.586 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.445 -10.394 5.373 1.00 0.00 C ATOM 0 H VAL A 116 -5.576 -8.793 6.264 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.232 -8.273 3.348 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.363 -9.729 3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.740 -8.398 4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.904 -7.369 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.083 -7.634 5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.388 -10.655 5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.768 -10.019 6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.026 -11.279 5.115 1.00 0.00 H new ATOM 1623 N MET A 117 -5.838 -10.806 2.890 1.00 0.00 N ATOM 1624 CA MET A 117 -6.640 -11.969 2.553 1.00 0.00 C ATOM 1625 C MET A 117 -5.755 -13.138 2.117 1.00 0.00 C ATOM 1626 O MET A 117 -5.451 -13.285 0.934 1.00 0.00 O ATOM 1627 CB MET A 117 -7.608 -11.613 1.423 1.00 0.00 C ATOM 1628 CG MET A 117 -8.381 -10.332 1.747 1.00 0.00 C ATOM 1629 SD MET A 117 -10.093 -10.719 2.074 1.00 0.00 S ATOM 1630 CE MET A 117 -9.963 -11.304 3.755 1.00 0.00 C ATOM 0 H MET A 117 -5.111 -10.578 2.211 1.00 0.00 H new ATOM 0 HA MET A 117 -7.198 -12.271 3.440 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.055 -11.483 0.493 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.307 -12.434 1.266 1.00 0.00 H new ATOM 0 HG2 MET A 117 -7.939 -9.840 2.613 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.310 -9.634 0.913 1.00 0.00 H new ATOM 0 HE1 MET A 117 -10.961 -11.438 4.172 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.433 -12.256 3.769 1.00 0.00 H new ATOM 0 HE3 MET A 117 -9.415 -10.575 4.353 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.356 -13.964 3.122 1.00 0.00 N ATOM 1639 CA PRO A 118 -4.512 -15.115 2.854 1.00 0.00 C ATOM 1640 C PRO A 118 -5.313 -16.243 2.201 1.00 0.00 C ATOM 1641 O PRO A 118 -6.541 -16.184 2.144 1.00 0.00 O ATOM 1642 CB PRO A 118 -3.934 -15.503 4.205 1.00 0.00 C ATOM 1643 CG PRO A 118 -4.832 -14.852 5.244 1.00 0.00 C ATOM 1644 CD PRO A 118 -5.695 -13.822 4.535 1.00 0.00 C ATOM 0 HA PRO A 118 -3.716 -14.895 2.143 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.918 -16.586 4.326 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.906 -15.155 4.304 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.455 -15.601 5.733 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.234 -14.378 6.022 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -6.755 -14.007 4.708 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -5.484 -12.814 4.894 1.00 0.00 H new ATOM 1649 N LYS A 119 -4.586 -17.243 1.724 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.215 -18.383 1.077 1.00 0.00 C ATOM 1651 C LYS A 119 -4.494 -19.664 1.498 1.00 0.00 C ATOM 1652 O LYS A 119 -5.082 -20.524 2.155 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.268 -18.176 -0.438 1.00 0.00 C ATOM 1654 CG LYS A 119 -5.260 -19.518 -1.174 1.00 0.00 C ATOM 1655 CD LYS A 119 -6.540 -20.307 -0.890 1.00 0.00 C ATOM 1656 CE LYS A 119 -6.992 -21.085 -2.127 1.00 0.00 C ATOM 1657 NZ LYS A 119 -7.774 -22.278 -1.733 1.00 0.00 N ATOM 0 H LYS A 119 -3.568 -17.288 1.772 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.252 -18.480 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.166 -17.618 -0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.415 -17.577 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.164 -19.348 -2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.393 -20.101 -0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.370 -20.998 -0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.330 -19.624 -0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.596 -20.442 -2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.123 -21.389 -2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.073 -22.794 -2.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.186 -22.898 -1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.614 -21.981 -1.196 1.00 0.00 H new