USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 585 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 60 TYR OH : rot 180:sc= 0.708 USER MOD Set 1.2: A 70 SER OG : rot 158:sc= 0.808 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= -4.99! (180deg=-5.19!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc=-0.00985 K(o=-0.0099,f=-1.5!) USER MOD Single : A 39 MET CE :methyl -134:sc= -0.0025 (180deg=-0.215) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.592 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= -0.0198 (180deg=-0.231) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.182 K(o=0.18,f=-8!) USER MOD Single : A 71 THR OG1 : rot 49:sc= 0.0566 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 72.179 1.213 -9.318 1.00 0.00 N ATOM 2 CA MET A 1 71.025 0.564 -10.003 1.00 0.00 C ATOM 3 C MET A 1 71.096 -0.945 -9.795 1.00 0.00 C ATOM 4 O MET A 1 70.697 -1.720 -10.664 1.00 0.00 O ATOM 5 CB MET A 1 71.078 0.890 -11.498 1.00 0.00 C ATOM 6 CG MET A 1 72.524 0.782 -11.985 1.00 0.00 C ATOM 7 SD MET A 1 72.563 0.838 -13.793 1.00 0.00 S ATOM 8 CE MET A 1 74.239 0.191 -14.011 1.00 0.00 C ATOM 0 H1 MET A 1 72.170 2.234 -9.515 1.00 0.00 H new ATOM 0 H2 MET A 1 72.106 1.058 -8.292 1.00 0.00 H new ATOM 0 H3 MET A 1 73.067 0.801 -9.668 1.00 0.00 H new ATOM 0 HA MET A 1 70.089 0.937 -9.587 1.00 0.00 H new ATOM 0 HB2 MET A 1 70.442 0.202 -12.055 1.00 0.00 H new ATOM 0 HB3 MET A 1 70.695 1.895 -11.677 1.00 0.00 H new ATOM 0 HG2 MET A 1 73.119 1.597 -11.573 1.00 0.00 H new ATOM 0 HG3 MET A 1 72.969 -0.148 -11.630 1.00 0.00 H new ATOM 0 HE1 MET A 1 74.474 0.141 -15.074 1.00 0.00 H new ATOM 0 HE2 MET A 1 74.951 0.849 -13.512 1.00 0.00 H new ATOM 0 HE3 MET A 1 74.303 -0.807 -13.578 1.00 0.00 H new ATOM 20 N TYR A 2 71.603 -1.354 -8.636 1.00 0.00 N ATOM 21 CA TYR A 2 71.717 -2.776 -8.325 1.00 0.00 C ATOM 22 C TYR A 2 70.365 -3.314 -7.874 1.00 0.00 C ATOM 23 O TYR A 2 69.582 -2.596 -7.250 1.00 0.00 O ATOM 24 CB TYR A 2 72.763 -3.001 -7.222 1.00 0.00 C ATOM 25 CG TYR A 2 73.312 -4.422 -7.300 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.651 -5.481 -6.655 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.495 -4.683 -8.018 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.166 -6.781 -6.722 1.00 0.00 C ATOM 29 CE2 TYR A 2 75.005 -5.984 -8.080 1.00 0.00 C ATOM 30 CZ TYR A 2 74.344 -7.031 -7.433 1.00 0.00 C ATOM 31 OH TYR A 2 74.858 -8.311 -7.496 1.00 0.00 O ATOM 0 H TYR A 2 71.938 -0.729 -7.903 1.00 0.00 H new ATOM 0 HA TYR A 2 72.036 -3.307 -9.222 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.576 -2.283 -7.329 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.314 -2.830 -6.244 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.741 -5.291 -6.105 1.00 0.00 H new ATOM 0 HD2 TYR A 2 75.009 -3.878 -8.521 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.653 -7.591 -6.224 1.00 0.00 H new ATOM 0 HE2 TYR A 2 75.913 -6.180 -8.630 1.00 0.00 H new ATOM 0 HH TYR A 2 75.679 -8.308 -8.031 1.00 0.00 H new ATOM 41 N GLU A 3 70.097 -4.576 -8.192 1.00 0.00 N ATOM 42 CA GLU A 3 68.833 -5.214 -7.812 1.00 0.00 C ATOM 43 C GLU A 3 69.113 -6.392 -6.887 1.00 0.00 C ATOM 44 O GLU A 3 69.891 -7.283 -7.226 1.00 0.00 O ATOM 45 CB GLU A 3 68.088 -5.693 -9.065 1.00 0.00 C ATOM 46 CG GLU A 3 67.591 -4.484 -9.871 1.00 0.00 C ATOM 47 CD GLU A 3 66.929 -4.961 -11.159 1.00 0.00 C ATOM 48 OE1 GLU A 3 66.835 -6.164 -11.339 1.00 0.00 O ATOM 49 OE2 GLU A 3 66.518 -4.119 -11.940 1.00 0.00 O ATOM 0 H GLU A 3 70.734 -5.180 -8.711 1.00 0.00 H new ATOM 0 HA GLU A 3 68.208 -4.489 -7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.748 -6.305 -9.680 1.00 0.00 H new ATOM 0 HB3 GLU A 3 67.245 -6.322 -8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.881 -3.907 -9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 3 68.425 -3.822 -10.103 1.00 0.00 H new ATOM 56 N PHE A 4 68.474 -6.386 -5.716 1.00 0.00 N ATOM 57 CA PHE A 4 68.662 -7.460 -4.735 1.00 0.00 C ATOM 58 C PHE A 4 67.563 -8.505 -4.901 1.00 0.00 C ATOM 59 O PHE A 4 66.391 -8.239 -4.633 1.00 0.00 O ATOM 60 CB PHE A 4 68.649 -6.863 -3.311 1.00 0.00 C ATOM 61 CG PHE A 4 68.387 -7.933 -2.265 1.00 0.00 C ATOM 62 CD1 PHE A 4 69.377 -8.870 -1.942 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.141 -7.984 -1.622 1.00 0.00 C ATOM 64 CE1 PHE A 4 69.119 -9.855 -0.979 1.00 0.00 C ATOM 65 CE2 PHE A 4 66.883 -8.966 -0.664 1.00 0.00 C ATOM 66 CZ PHE A 4 67.871 -9.904 -0.342 1.00 0.00 C ATOM 0 H PHE A 4 67.825 -5.655 -5.423 1.00 0.00 H new ATOM 0 HA PHE A 4 69.624 -7.947 -4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.605 -6.380 -3.108 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.882 -6.092 -3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 4 70.338 -8.833 -2.434 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.378 -7.260 -1.869 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.882 -10.577 -0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 4 65.922 -9.002 -0.172 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.672 -10.666 0.397 1.00 0.00 H new ATOM 76 N LYS A 5 67.965 -9.694 -5.348 1.00 0.00 N ATOM 77 CA LYS A 5 67.034 -10.802 -5.563 1.00 0.00 C ATOM 78 C LYS A 5 67.413 -11.978 -4.674 1.00 0.00 C ATOM 79 O LYS A 5 68.588 -12.179 -4.363 1.00 0.00 O ATOM 80 CB LYS A 5 67.073 -11.229 -7.034 1.00 0.00 C ATOM 81 CG LYS A 5 65.950 -12.229 -7.318 1.00 0.00 C ATOM 82 CD LYS A 5 65.937 -12.558 -8.811 1.00 0.00 C ATOM 83 CE LYS A 5 64.797 -13.533 -9.113 1.00 0.00 C ATOM 84 NZ LYS A 5 64.780 -13.830 -10.573 1.00 0.00 N ATOM 0 H LYS A 5 68.936 -9.916 -5.570 1.00 0.00 H new ATOM 0 HA LYS A 5 66.025 -10.476 -5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 5 66.965 -10.356 -7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 5 68.039 -11.678 -7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 5 66.099 -13.137 -6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 5 64.989 -11.811 -7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 5 65.812 -11.645 -9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 5 66.891 -12.996 -9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.929 -14.453 -8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 5 63.844 -13.103 -8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 64.007 -14.493 -10.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 64.635 -12.948 -11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 65.687 -14.257 -10.851 1.00 0.00 H new ATOM 98 N LEU A 6 66.418 -12.750 -4.259 1.00 0.00 N ATOM 99 CA LEU A 6 66.693 -13.902 -3.394 1.00 0.00 C ATOM 100 C LEU A 6 67.419 -14.979 -4.219 1.00 0.00 C ATOM 101 O LEU A 6 67.342 -14.959 -5.448 1.00 0.00 O ATOM 102 CB LEU A 6 65.393 -14.485 -2.777 1.00 0.00 C ATOM 103 CG LEU A 6 65.041 -13.772 -1.453 1.00 0.00 C ATOM 104 CD1 LEU A 6 63.562 -14.006 -1.125 1.00 0.00 C ATOM 105 CD2 LEU A 6 65.893 -14.328 -0.297 1.00 0.00 C ATOM 0 H LEU A 6 65.436 -12.611 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 6 67.321 -13.573 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.570 -14.375 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 6 65.519 -15.553 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 6 65.242 -12.707 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 6 63.313 -13.503 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 6 62.943 -13.606 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.377 -15.075 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 6 65.631 -13.814 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 6 65.702 -15.395 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 6 66.949 -14.169 -0.514 1.00 0.00 H new ATOM 117 N PRO A 7 68.127 -15.904 -3.599 1.00 0.00 N ATOM 118 CA PRO A 7 68.866 -16.967 -4.357 1.00 0.00 C ATOM 119 C PRO A 7 67.978 -17.757 -5.321 1.00 0.00 C ATOM 120 O PRO A 7 66.834 -18.092 -5.014 1.00 0.00 O ATOM 121 CB PRO A 7 69.426 -17.887 -3.255 1.00 0.00 C ATOM 122 CG PRO A 7 69.496 -17.032 -2.038 1.00 0.00 C ATOM 123 CD PRO A 7 68.326 -16.053 -2.142 1.00 0.00 C ATOM 0 HA PRO A 7 69.633 -16.529 -4.996 1.00 0.00 H new ATOM 0 HB2 PRO A 7 68.779 -18.750 -3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 7 70.410 -18.272 -3.524 1.00 0.00 H new ATOM 0 HG2 PRO A 7 69.421 -17.635 -1.133 1.00 0.00 H new ATOM 0 HG3 PRO A 7 70.446 -16.500 -1.989 1.00 0.00 H new ATOM 0 HD2 PRO A 7 67.433 -16.442 -1.653 1.00 0.00 H new ATOM 0 HD3 PRO A 7 68.558 -15.099 -1.669 1.00 0.00 H new ATOM 221 N GLU A 15 60.223 -20.764 -1.521 1.00 0.00 N ATOM 222 CA GLU A 15 59.237 -19.708 -1.323 1.00 0.00 C ATOM 223 C GLU A 15 59.875 -18.535 -0.588 1.00 0.00 C ATOM 224 O GLU A 15 60.879 -18.711 0.104 1.00 0.00 O ATOM 225 CB GLU A 15 58.050 -20.248 -0.522 1.00 0.00 C ATOM 226 CG GLU A 15 56.987 -19.161 -0.371 1.00 0.00 C ATOM 227 CD GLU A 15 55.742 -19.744 0.289 1.00 0.00 C ATOM 228 OE1 GLU A 15 55.886 -20.435 1.286 1.00 0.00 O ATOM 229 OE2 GLU A 15 54.661 -19.504 -0.222 1.00 0.00 O ATOM 0 HA GLU A 15 58.881 -19.365 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 15 57.625 -21.117 -1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 15 58.384 -20.581 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 15 57.377 -18.339 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.733 -18.750 -1.348 1.00 0.00 H new ATOM 236 N GLY A 16 59.307 -17.334 -0.747 1.00 0.00 N ATOM 237 CA GLY A 16 59.858 -16.142 -0.091 1.00 0.00 C ATOM 238 C GLY A 16 58.887 -15.566 0.936 1.00 0.00 C ATOM 239 O GLY A 16 57.828 -15.064 0.576 1.00 0.00 O ATOM 0 H GLY A 16 58.478 -17.162 -1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.798 -16.397 0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.085 -15.385 -0.842 1.00 0.00 H new ATOM 243 N GLU A 17 59.271 -15.618 2.216 1.00 0.00 N ATOM 244 CA GLU A 17 58.443 -15.074 3.296 1.00 0.00 C ATOM 245 C GLU A 17 59.296 -14.172 4.180 1.00 0.00 C ATOM 246 O GLU A 17 60.370 -14.563 4.635 1.00 0.00 O ATOM 247 CB GLU A 17 57.826 -16.216 4.116 1.00 0.00 C ATOM 248 CG GLU A 17 57.168 -15.672 5.395 1.00 0.00 C ATOM 249 CD GLU A 17 56.130 -14.607 5.055 1.00 0.00 C ATOM 250 OE1 GLU A 17 55.595 -14.652 3.962 1.00 0.00 O ATOM 251 OE2 GLU A 17 55.880 -13.763 5.901 1.00 0.00 O ATOM 0 H GLU A 17 60.150 -16.031 2.529 1.00 0.00 H new ATOM 0 HA GLU A 17 57.630 -14.485 2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 17 57.084 -16.743 3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.597 -16.941 4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 17 56.694 -16.487 5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 17 57.929 -15.249 6.050 1.00 0.00 H new ATOM 258 N ILE A 18 58.819 -12.950 4.390 1.00 0.00 N ATOM 259 CA ILE A 18 59.545 -11.960 5.192 1.00 0.00 C ATOM 260 C ILE A 18 58.962 -11.832 6.593 1.00 0.00 C ATOM 261 O ILE A 18 57.787 -11.501 6.757 1.00 0.00 O ATOM 262 CB ILE A 18 59.453 -10.605 4.486 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.075 -10.701 3.074 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.161 -9.531 5.313 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.597 -10.505 3.129 1.00 0.00 C ATOM 0 H ILE A 18 57.930 -12.616 4.017 1.00 0.00 H new ATOM 0 HA ILE A 18 60.581 -12.285 5.289 1.00 0.00 H new ATOM 0 HB ILE A 18 58.404 -10.327 4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 18 59.845 -11.673 2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.631 -9.946 2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.089 -8.571 4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.689 -9.456 6.293 1.00 0.00 H new ATOM 0 HG23 ILE A 18 61.210 -9.799 5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.010 -10.577 2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.823 -9.523 3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 18 62.041 -11.276 3.759 1.00 0.00 H new ATOM 277 N VAL A 19 59.796 -12.083 7.607 1.00 0.00 N ATOM 278 CA VAL A 19 59.358 -11.977 8.996 1.00 0.00 C ATOM 279 C VAL A 19 59.684 -10.588 9.551 1.00 0.00 C ATOM 280 O VAL A 19 58.856 -9.986 10.236 1.00 0.00 O ATOM 281 CB VAL A 19 60.029 -13.064 9.839 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.522 -12.763 9.977 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.395 -13.103 11.232 1.00 0.00 C ATOM 0 H VAL A 19 60.771 -12.359 7.490 1.00 0.00 H new ATOM 0 HA VAL A 19 58.278 -12.118 9.039 1.00 0.00 H new ATOM 0 HB VAL A 19 59.894 -14.028 9.348 1.00 0.00 H new ATOM 0 HG11 VAL A 19 61.996 -13.539 10.578 1.00 0.00 H new ATOM 0 HG12 VAL A 19 61.981 -12.738 8.989 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.655 -11.796 10.463 1.00 0.00 H new ATOM 0 HG21 VAL A 19 59.876 -13.878 11.829 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.526 -12.137 11.719 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.331 -13.322 11.142 1.00 0.00 H new ATOM 293 N ARG A 20 60.883 -10.068 9.244 1.00 0.00 N ATOM 294 CA ARG A 20 61.276 -8.732 9.712 1.00 0.00 C ATOM 295 C ARG A 20 62.080 -8.000 8.637 1.00 0.00 C ATOM 296 O ARG A 20 62.904 -8.602 7.948 1.00 0.00 O ATOM 297 CB ARG A 20 62.106 -8.829 10.997 1.00 0.00 C ATOM 298 CG ARG A 20 61.213 -9.266 12.159 1.00 0.00 C ATOM 299 CD ARG A 20 62.067 -9.486 13.408 1.00 0.00 C ATOM 300 NE ARG A 20 62.713 -8.238 13.802 1.00 0.00 N ATOM 301 CZ ARG A 20 63.596 -8.207 14.796 1.00 0.00 C ATOM 302 NH1 ARG A 20 63.907 -9.310 15.423 1.00 0.00 N ATOM 303 NH2 ARG A 20 64.156 -7.079 15.134 1.00 0.00 N ATOM 0 H ARG A 20 61.587 -10.545 8.682 1.00 0.00 H new ATOM 0 HA ARG A 20 60.366 -8.170 9.921 1.00 0.00 H new ATOM 0 HB2 ARG A 20 62.919 -9.543 10.863 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.562 -7.864 11.220 1.00 0.00 H new ATOM 0 HG2 ARG A 20 60.455 -8.507 12.354 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.686 -10.184 11.900 1.00 0.00 H new ATOM 0 HD2 ARG A 20 61.444 -9.855 14.223 1.00 0.00 H new ATOM 0 HD3 ARG A 20 62.821 -10.249 13.212 1.00 0.00 H new ATOM 0 HE ARG A 20 62.484 -7.376 13.307 1.00 0.00 H new ATOM 0 HH11 ARG A 20 63.473 -10.192 15.150 1.00 0.00 H new ATOM 0 HH12 ARG A 20 64.584 -9.290 16.186 1.00 0.00 H new ATOM 0 HH21 ARG A 20 63.917 -6.221 14.636 1.00 0.00 H new ATOM 0 HH22 ARG A 20 64.833 -7.054 15.896 1.00 0.00 H new ATOM 317 N TRP A 21 61.836 -6.692 8.492 1.00 0.00 N ATOM 318 CA TRP A 21 62.553 -5.881 7.491 1.00 0.00 C ATOM 319 C TRP A 21 63.654 -5.065 8.179 1.00 0.00 C ATOM 320 O TRP A 21 64.587 -4.589 7.541 1.00 0.00 O ATOM 321 CB TRP A 21 61.575 -4.918 6.747 1.00 0.00 C ATOM 322 CG TRP A 21 61.035 -5.545 5.494 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.721 -5.757 5.240 1.00 0.00 C ATOM 324 CD2 TRP A 21 61.760 -6.019 4.324 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.599 -6.339 3.990 1.00 0.00 N ATOM 326 CE2 TRP A 21 60.827 -6.525 3.387 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.122 -6.065 3.986 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.237 -7.055 2.161 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.536 -6.599 2.761 1.00 0.00 C ATOM 330 CH2 TRP A 21 62.600 -7.097 1.849 1.00 0.00 C ATOM 0 H TRP A 21 61.155 -6.173 9.047 1.00 0.00 H new ATOM 0 HA TRP A 21 62.997 -6.555 6.758 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.750 -4.654 7.408 1.00 0.00 H new ATOM 0 HB3 TRP A 21 62.093 -3.992 6.498 1.00 0.00 H new ATOM 0 HD1 TRP A 21 58.904 -5.512 5.903 1.00 0.00 H new ATOM 0 HE1 TRP A 21 58.709 -6.599 3.565 1.00 0.00 H new ATOM 0 HE3 TRP A 21 63.858 -5.684 4.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.507 -7.430 1.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.588 -6.627 2.517 1.00 0.00 H new ATOM 0 HH2 TRP A 21 62.928 -7.512 0.908 1.00 0.00 H new ATOM 341 N ASP A 22 63.511 -4.938 9.487 1.00 0.00 N ATOM 342 CA ASP A 22 64.453 -4.195 10.346 1.00 0.00 C ATOM 343 C ASP A 22 64.903 -2.848 9.757 1.00 0.00 C ATOM 344 O ASP A 22 65.728 -2.161 10.356 1.00 0.00 O ATOM 345 CB ASP A 22 65.678 -5.051 10.614 1.00 0.00 C ATOM 346 CG ASP A 22 65.281 -6.265 11.451 1.00 0.00 C ATOM 347 OD1 ASP A 22 65.148 -6.109 12.653 1.00 0.00 O ATOM 348 OD2 ASP A 22 65.128 -7.331 10.881 1.00 0.00 O ATOM 0 H ASP A 22 62.732 -5.349 10.001 1.00 0.00 H new ATOM 0 HA ASP A 22 63.915 -3.972 11.267 1.00 0.00 H new ATOM 0 HB2 ASP A 22 66.121 -5.375 9.672 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.435 -4.467 11.138 1.00 0.00 H new ATOM 353 N VAL A 23 64.363 -2.466 8.602 1.00 0.00 N ATOM 354 CA VAL A 23 64.717 -1.189 7.963 1.00 0.00 C ATOM 355 C VAL A 23 63.465 -0.548 7.366 1.00 0.00 C ATOM 356 O VAL A 23 62.497 -1.242 7.059 1.00 0.00 O ATOM 357 CB VAL A 23 65.772 -1.411 6.864 1.00 0.00 C ATOM 358 CG1 VAL A 23 66.887 -2.315 7.403 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.119 -2.083 5.644 1.00 0.00 C ATOM 0 H VAL A 23 63.679 -3.018 8.085 1.00 0.00 H new ATOM 0 HA VAL A 23 65.138 -0.523 8.716 1.00 0.00 H new ATOM 0 HB VAL A 23 66.189 -0.449 6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 23 67.635 -2.473 6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.355 -1.841 8.266 1.00 0.00 H new ATOM 0 HG13 VAL A 23 66.465 -3.275 7.701 1.00 0.00 H new ATOM 0 HG21 VAL A 23 65.870 -2.238 4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 23 64.699 -3.044 5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.325 -1.443 5.258 1.00 0.00 H new ATOM 369 N LYS A 24 63.491 0.775 7.188 1.00 0.00 N ATOM 370 CA LYS A 24 62.346 1.487 6.611 1.00 0.00 C ATOM 371 C LYS A 24 62.776 2.329 5.415 1.00 0.00 C ATOM 372 O LYS A 24 63.803 3.005 5.457 1.00 0.00 O ATOM 373 CB LYS A 24 61.714 2.395 7.669 1.00 0.00 C ATOM 374 CG LYS A 24 61.072 1.540 8.762 1.00 0.00 C ATOM 375 CD LYS A 24 60.479 2.454 9.834 1.00 0.00 C ATOM 376 CE LYS A 24 59.841 1.607 10.939 1.00 0.00 C ATOM 377 NZ LYS A 24 59.296 2.505 11.997 1.00 0.00 N ATOM 0 H LYS A 24 64.283 1.370 7.432 1.00 0.00 H new ATOM 0 HA LYS A 24 61.618 0.748 6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 24 62.472 3.048 8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 24 60.964 3.039 7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 24 60.293 0.908 8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 24 61.815 0.876 9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 24 61.258 3.091 10.254 1.00 0.00 H new ATOM 0 HD3 LYS A 24 59.733 3.113 9.391 1.00 0.00 H new ATOM 0 HE2 LYS A 24 59.044 0.989 10.525 1.00 0.00 H new ATOM 0 HE3 LYS A 24 60.580 0.930 11.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 58.862 1.932 12.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 60.067 3.076 12.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 58.578 3.134 11.583 1.00 0.00 H new ATOM 391 N GLU A 25 61.983 2.289 4.348 1.00 0.00 N ATOM 392 CA GLU A 25 62.304 3.057 3.149 1.00 0.00 C ATOM 393 C GLU A 25 62.709 4.487 3.504 1.00 0.00 C ATOM 394 O GLU A 25 62.141 5.102 4.406 1.00 0.00 O ATOM 395 CB GLU A 25 61.100 3.085 2.198 1.00 0.00 C ATOM 396 CG GLU A 25 59.890 3.729 2.893 1.00 0.00 C ATOM 397 CD GLU A 25 60.019 5.249 2.884 1.00 0.00 C ATOM 398 OE1 GLU A 25 60.544 5.772 1.914 1.00 0.00 O ATOM 399 OE2 GLU A 25 59.598 5.868 3.846 1.00 0.00 O ATOM 0 H GLU A 25 61.125 1.741 4.288 1.00 0.00 H new ATOM 0 HA GLU A 25 63.145 2.570 2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 25 61.352 3.645 1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.851 2.071 1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 25 58.971 3.433 2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 25 59.818 3.370 3.920 1.00 0.00 H new ATOM 406 N GLY A 26 63.694 5.008 2.771 1.00 0.00 N ATOM 407 CA GLY A 26 64.173 6.372 2.986 1.00 0.00 C ATOM 408 C GLY A 26 65.322 6.425 3.996 1.00 0.00 C ATOM 409 O GLY A 26 65.778 7.508 4.363 1.00 0.00 O ATOM 0 H GLY A 26 64.174 4.506 2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.505 6.793 2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.350 6.993 3.340 1.00 0.00 H new ATOM 413 N ASP A 27 65.789 5.257 4.445 1.00 0.00 N ATOM 414 CA ASP A 27 66.889 5.197 5.416 1.00 0.00 C ATOM 415 C ASP A 27 68.171 4.708 4.750 1.00 0.00 C ATOM 416 O ASP A 27 68.124 3.934 3.796 1.00 0.00 O ATOM 417 CB ASP A 27 66.525 4.245 6.559 1.00 0.00 C ATOM 418 CG ASP A 27 66.353 2.829 6.025 1.00 0.00 C ATOM 419 OD1 ASP A 27 66.363 2.671 4.815 1.00 0.00 O ATOM 420 OD2 ASP A 27 66.211 1.923 6.829 1.00 0.00 O ATOM 0 H ASP A 27 65.428 4.348 4.156 1.00 0.00 H new ATOM 0 HA ASP A 27 67.052 6.201 5.808 1.00 0.00 H new ATOM 0 HB2 ASP A 27 67.305 4.263 7.320 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.604 4.576 7.039 1.00 0.00 H new ATOM 425 N MET A 28 69.314 5.166 5.256 1.00 0.00 N ATOM 426 CA MET A 28 70.607 4.769 4.695 1.00 0.00 C ATOM 427 C MET A 28 71.057 3.430 5.279 1.00 0.00 C ATOM 428 O MET A 28 70.833 3.152 6.456 1.00 0.00 O ATOM 429 CB MET A 28 71.667 5.829 5.010 1.00 0.00 C ATOM 430 CG MET A 28 71.299 7.140 4.312 1.00 0.00 C ATOM 431 SD MET A 28 72.528 8.403 4.726 1.00 0.00 S ATOM 432 CE MET A 28 71.657 9.830 4.032 1.00 0.00 C ATOM 0 H MET A 28 69.374 5.807 6.047 1.00 0.00 H new ATOM 0 HA MET A 28 70.492 4.672 3.615 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.733 5.984 6.087 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.647 5.489 4.676 1.00 0.00 H new ATOM 0 HG2 MET A 28 71.261 6.993 3.233 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.307 7.466 4.624 1.00 0.00 H new ATOM 0 HE1 MET A 28 72.254 10.729 4.184 1.00 0.00 H new ATOM 0 HE2 MET A 28 71.498 9.676 2.965 1.00 0.00 H new ATOM 0 HE3 MET A 28 70.694 9.945 4.529 1.00 0.00 H new ATOM 442 N VAL A 29 71.710 2.612 4.451 1.00 0.00 N ATOM 443 CA VAL A 29 72.209 1.302 4.892 1.00 0.00 C ATOM 444 C VAL A 29 73.722 1.237 4.697 1.00 0.00 C ATOM 445 O VAL A 29 74.234 1.622 3.646 1.00 0.00 O ATOM 446 CB VAL A 29 71.528 0.193 4.084 1.00 0.00 C ATOM 447 CG1 VAL A 29 72.182 -1.158 4.381 1.00 0.00 C ATOM 448 CG2 VAL A 29 70.044 0.133 4.451 1.00 0.00 C ATOM 0 H VAL A 29 71.907 2.830 3.474 1.00 0.00 H new ATOM 0 HA VAL A 29 71.980 1.164 5.949 1.00 0.00 H new ATOM 0 HB VAL A 29 71.636 0.412 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.688 -1.937 3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 29 73.237 -1.118 4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 29 72.087 -1.382 5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 29 69.559 -0.656 3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 29 69.941 -0.077 5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 29 69.574 1.090 4.223 1.00 0.00 H new ATOM 458 N GLU A 30 74.436 0.772 5.727 1.00 0.00 N ATOM 459 CA GLU A 30 75.901 0.684 5.670 1.00 0.00 C ATOM 460 C GLU A 30 76.365 -0.770 5.604 1.00 0.00 C ATOM 461 O GLU A 30 75.670 -1.679 6.057 1.00 0.00 O ATOM 462 CB GLU A 30 76.505 1.358 6.908 1.00 0.00 C ATOM 463 CG GLU A 30 76.185 2.859 6.884 1.00 0.00 C ATOM 464 CD GLU A 30 76.884 3.521 5.699 1.00 0.00 C ATOM 465 OE1 GLU A 30 78.074 3.303 5.546 1.00 0.00 O ATOM 466 OE2 GLU A 30 76.220 4.235 4.966 1.00 0.00 O ATOM 0 H GLU A 30 74.028 0.452 6.605 1.00 0.00 H new ATOM 0 HA GLU A 30 76.238 1.193 4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 30 76.103 0.905 7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 30 77.584 1.206 6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 30 75.108 3.009 6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 30 76.510 3.324 7.815 1.00 0.00 H new ATOM 473 N LYS A 31 77.550 -0.967 5.032 1.00 0.00 N ATOM 474 CA LYS A 31 78.123 -2.302 4.892 1.00 0.00 C ATOM 475 C LYS A 31 78.511 -2.840 6.266 1.00 0.00 C ATOM 476 O LYS A 31 79.034 -2.106 7.102 1.00 0.00 O ATOM 477 CB LYS A 31 79.357 -2.237 3.980 1.00 0.00 C ATOM 478 CG LYS A 31 79.863 -3.648 3.669 1.00 0.00 C ATOM 479 CD LYS A 31 81.024 -3.564 2.677 1.00 0.00 C ATOM 480 CE LYS A 31 81.515 -4.973 2.336 1.00 0.00 C ATOM 481 NZ LYS A 31 82.575 -4.890 1.292 1.00 0.00 N ATOM 0 H LYS A 31 78.132 -0.218 4.658 1.00 0.00 H new ATOM 0 HA LYS A 31 77.387 -2.971 4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 31 79.106 -1.721 3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 31 80.145 -1.659 4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 31 80.188 -4.140 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 31 79.057 -4.252 3.252 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.704 -3.051 1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.838 -2.978 3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 31 81.907 -5.459 3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 31 80.685 -5.583 1.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 82.909 -5.847 1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 82.186 -4.442 0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 83.370 -4.323 1.649 1.00 0.00 H new ATOM 495 N ASP A 32 78.239 -4.121 6.487 1.00 0.00 N ATOM 496 CA ASP A 32 78.547 -4.766 7.767 1.00 0.00 C ATOM 497 C ASP A 32 77.632 -4.253 8.883 1.00 0.00 C ATOM 498 O ASP A 32 77.983 -4.326 10.059 1.00 0.00 O ATOM 499 CB ASP A 32 80.012 -4.518 8.171 1.00 0.00 C ATOM 500 CG ASP A 32 80.441 -5.526 9.235 1.00 0.00 C ATOM 501 OD1 ASP A 32 79.962 -6.647 9.193 1.00 0.00 O ATOM 502 OD2 ASP A 32 81.248 -5.161 10.075 1.00 0.00 O ATOM 0 H ASP A 32 77.806 -4.737 5.799 1.00 0.00 H new ATOM 0 HA ASP A 32 78.383 -5.835 7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 32 80.658 -4.603 7.297 1.00 0.00 H new ATOM 0 HB3 ASP A 32 80.125 -3.504 8.553 1.00 0.00 H new ATOM 507 N GLN A 33 76.455 -3.735 8.519 1.00 0.00 N ATOM 508 CA GLN A 33 75.515 -3.225 9.519 1.00 0.00 C ATOM 509 C GLN A 33 74.075 -3.395 9.033 1.00 0.00 C ATOM 510 O GLN A 33 73.506 -2.473 8.450 1.00 0.00 O ATOM 511 CB GLN A 33 75.786 -1.738 9.780 1.00 0.00 C ATOM 512 CG GLN A 33 74.809 -1.221 10.840 1.00 0.00 C ATOM 513 CD GLN A 33 75.163 0.210 11.232 1.00 0.00 C ATOM 514 OE1 GLN A 33 76.278 0.668 10.982 1.00 0.00 O ATOM 515 NE2 GLN A 33 74.272 0.945 11.837 1.00 0.00 N ATOM 0 H GLN A 33 76.134 -3.659 7.554 1.00 0.00 H new ATOM 0 HA GLN A 33 75.651 -3.791 10.441 1.00 0.00 H new ATOM 0 HB2 GLN A 33 76.813 -1.598 10.117 1.00 0.00 H new ATOM 0 HB3 GLN A 33 75.673 -1.169 8.857 1.00 0.00 H new ATOM 0 HG2 GLN A 33 73.790 -1.258 10.455 1.00 0.00 H new ATOM 0 HG3 GLN A 33 74.841 -1.865 11.719 1.00 0.00 H new ATOM 0 HE21 GLN A 33 73.349 0.562 12.042 1.00 0.00 H new ATOM 0 HE22 GLN A 33 74.498 1.903 12.105 1.00 0.00 H new ATOM 524 N ASP A 34 73.481 -4.566 9.280 1.00 0.00 N ATOM 525 CA ASP A 34 72.110 -4.810 8.853 1.00 0.00 C ATOM 526 C ASP A 34 71.624 -6.149 9.391 1.00 0.00 C ATOM 527 O ASP A 34 72.381 -7.117 9.439 1.00 0.00 O ATOM 528 CB ASP A 34 72.025 -4.812 7.324 1.00 0.00 C ATOM 529 CG ASP A 34 70.575 -4.970 6.874 1.00 0.00 C ATOM 530 OD1 ASP A 34 69.695 -4.845 7.710 1.00 0.00 O ATOM 531 OD2 ASP A 34 70.370 -5.217 5.699 1.00 0.00 O ATOM 0 H ASP A 34 73.924 -5.346 9.766 1.00 0.00 H new ATOM 0 HA ASP A 34 71.478 -4.014 9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 34 72.436 -3.883 6.929 1.00 0.00 H new ATOM 0 HB3 ASP A 34 72.629 -5.625 6.921 1.00 0.00 H new ATOM 536 N LEU A 35 70.358 -6.203 9.793 1.00 0.00 N ATOM 537 CA LEU A 35 69.775 -7.436 10.330 1.00 0.00 C ATOM 538 C LEU A 35 68.381 -7.644 9.763 1.00 0.00 C ATOM 539 O LEU A 35 67.407 -7.162 10.319 1.00 0.00 O ATOM 540 CB LEU A 35 69.690 -7.361 11.859 1.00 0.00 C ATOM 541 CG LEU A 35 71.100 -7.375 12.467 1.00 0.00 C ATOM 542 CD1 LEU A 35 71.015 -6.963 13.941 1.00 0.00 C ATOM 543 CD2 LEU A 35 71.723 -8.784 12.365 1.00 0.00 C ATOM 0 H LEU A 35 69.715 -5.412 9.759 1.00 0.00 H new ATOM 0 HA LEU A 35 70.413 -8.272 10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 35 69.166 -6.453 12.158 1.00 0.00 H new ATOM 0 HB3 LEU A 35 69.113 -8.203 12.241 1.00 0.00 H new ATOM 0 HG LEU A 35 71.729 -6.675 11.916 1.00 0.00 H new ATOM 0 HD11 LEU A 35 72.013 -6.971 14.379 1.00 0.00 H new ATOM 0 HD12 LEU A 35 70.594 -5.960 14.015 1.00 0.00 H new ATOM 0 HD13 LEU A 35 70.377 -7.665 14.479 1.00 0.00 H new ATOM 0 HD21 LEU A 35 72.722 -8.773 12.801 1.00 0.00 H new ATOM 0 HD22 LEU A 35 71.100 -9.497 12.904 1.00 0.00 H new ATOM 0 HD23 LEU A 35 71.788 -9.078 11.317 1.00 0.00 H new ATOM 555 N VAL A 36 68.308 -8.378 8.659 1.00 0.00 N ATOM 556 CA VAL A 36 67.036 -8.677 7.990 1.00 0.00 C ATOM 557 C VAL A 36 66.849 -10.192 8.045 1.00 0.00 C ATOM 558 O VAL A 36 67.773 -10.946 7.738 1.00 0.00 O ATOM 559 CB VAL A 36 67.087 -8.157 6.523 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.059 -6.973 6.453 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.572 -9.251 5.561 1.00 0.00 C ATOM 0 H VAL A 36 69.123 -8.784 8.199 1.00 0.00 H new ATOM 0 HA VAL A 36 66.195 -8.185 8.478 1.00 0.00 H new ATOM 0 HB VAL A 36 66.082 -7.856 6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 36 68.104 -6.599 5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 36 67.713 -6.179 7.115 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.052 -7.298 6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.597 -8.857 4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 36 68.573 -9.572 5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 36 66.891 -10.101 5.604 1.00 0.00 H new ATOM 571 N GLU A 37 65.672 -10.638 8.450 1.00 0.00 N ATOM 572 CA GLU A 37 65.400 -12.072 8.558 1.00 0.00 C ATOM 573 C GLU A 37 64.480 -12.544 7.441 1.00 0.00 C ATOM 574 O GLU A 37 63.385 -12.015 7.251 1.00 0.00 O ATOM 575 CB GLU A 37 64.761 -12.371 9.917 1.00 0.00 C ATOM 576 CG GLU A 37 65.778 -12.140 11.048 1.00 0.00 C ATOM 577 CD GLU A 37 65.856 -10.657 11.398 1.00 0.00 C ATOM 578 OE1 GLU A 37 65.217 -9.873 10.717 1.00 0.00 O ATOM 579 OE2 GLU A 37 66.553 -10.328 12.344 1.00 0.00 O ATOM 0 H GLU A 37 64.890 -10.037 8.709 1.00 0.00 H new ATOM 0 HA GLU A 37 66.345 -12.608 8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 37 63.890 -11.732 10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.408 -13.402 9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 37 65.489 -12.713 11.929 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.760 -12.500 10.742 1.00 0.00 H new ATOM 586 N VAL A 38 64.945 -13.553 6.707 1.00 0.00 N ATOM 587 CA VAL A 38 64.181 -14.130 5.607 1.00 0.00 C ATOM 588 C VAL A 38 63.927 -15.613 5.876 1.00 0.00 C ATOM 589 O VAL A 38 64.842 -16.356 6.246 1.00 0.00 O ATOM 590 CB VAL A 38 64.942 -13.971 4.287 1.00 0.00 C ATOM 591 CG1 VAL A 38 65.168 -12.487 3.980 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.293 -14.680 4.371 1.00 0.00 C ATOM 0 H VAL A 38 65.855 -13.989 6.857 1.00 0.00 H new ATOM 0 HA VAL A 38 63.229 -13.605 5.530 1.00 0.00 H new ATOM 0 HB VAL A 38 64.347 -14.417 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.710 -12.388 3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 38 64.206 -11.982 3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.750 -12.034 4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.826 -14.561 3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.883 -14.245 5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.136 -15.741 4.567 1.00 0.00 H new ATOM 602 N MET A 39 62.674 -16.036 5.704 1.00 0.00 N ATOM 603 CA MET A 39 62.285 -17.434 5.934 1.00 0.00 C ATOM 604 C MET A 39 61.805 -18.068 4.633 1.00 0.00 C ATOM 605 O MET A 39 60.816 -17.630 4.049 1.00 0.00 O ATOM 606 CB MET A 39 61.173 -17.488 6.989 1.00 0.00 C ATOM 607 CG MET A 39 60.677 -18.930 7.151 1.00 0.00 C ATOM 608 SD MET A 39 59.574 -19.046 8.582 1.00 0.00 S ATOM 609 CE MET A 39 58.062 -18.497 7.755 1.00 0.00 C ATOM 0 H MET A 39 61.908 -15.432 5.406 1.00 0.00 H new ATOM 0 HA MET A 39 63.150 -17.992 6.293 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.546 -17.113 7.942 1.00 0.00 H new ATOM 0 HB3 MET A 39 60.347 -16.841 6.693 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.152 -19.246 6.250 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.525 -19.603 7.279 1.00 0.00 H new ATOM 0 HE1 MET A 39 57.554 -17.761 8.377 1.00 0.00 H new ATOM 0 HE2 MET A 39 58.315 -18.048 6.795 1.00 0.00 H new ATOM 0 HE3 MET A 39 57.405 -19.351 7.594 1.00 0.00 H new ATOM 619 N THR A 40 62.515 -19.098 4.180 1.00 0.00 N ATOM 620 CA THR A 40 62.141 -19.768 2.941 1.00 0.00 C ATOM 621 C THR A 40 60.783 -20.440 3.100 1.00 0.00 C ATOM 622 O THR A 40 59.886 -20.261 2.277 1.00 0.00 O ATOM 623 CB THR A 40 63.194 -20.814 2.569 1.00 0.00 C ATOM 624 OG1 THR A 40 62.904 -22.034 3.237 1.00 0.00 O ATOM 625 CG2 THR A 40 64.581 -20.322 2.986 1.00 0.00 C ATOM 0 H THR A 40 63.339 -19.481 4.644 1.00 0.00 H new ATOM 0 HA THR A 40 62.081 -19.025 2.146 1.00 0.00 H new ATOM 0 HB THR A 40 63.178 -20.974 1.491 1.00 0.00 H new ATOM 0 HG1 THR A 40 63.577 -22.706 2.998 1.00 0.00 H new ATOM 0 HG21 THR A 40 65.328 -21.070 2.719 1.00 0.00 H new ATOM 0 HG22 THR A 40 64.805 -19.387 2.473 1.00 0.00 H new ATOM 0 HG23 THR A 40 64.600 -20.158 4.063 1.00 0.00 H new ATOM 633 N ASP A 41 60.642 -21.203 4.180 1.00 0.00 N ATOM 634 CA ASP A 41 59.384 -21.898 4.470 1.00 0.00 C ATOM 635 C ASP A 41 59.236 -22.085 5.975 1.00 0.00 C ATOM 636 O ASP A 41 58.339 -21.516 6.597 1.00 0.00 O ATOM 637 CB ASP A 41 59.369 -23.262 3.779 1.00 0.00 C ATOM 638 CG ASP A 41 58.022 -23.941 3.994 1.00 0.00 C ATOM 639 OD1 ASP A 41 57.232 -23.418 4.763 1.00 0.00 O ATOM 640 OD2 ASP A 41 57.796 -24.974 3.384 1.00 0.00 O ATOM 0 H ASP A 41 61.378 -21.358 4.869 1.00 0.00 H new ATOM 0 HA ASP A 41 58.553 -21.300 4.096 1.00 0.00 H new ATOM 0 HB2 ASP A 41 59.558 -23.140 2.712 1.00 0.00 H new ATOM 0 HB3 ASP A 41 60.168 -23.888 4.175 1.00 0.00 H new ATOM 645 N LYS A 42 60.140 -22.875 6.557 1.00 0.00 N ATOM 646 CA LYS A 42 60.132 -23.130 8.002 1.00 0.00 C ATOM 647 C LYS A 42 61.560 -23.098 8.550 1.00 0.00 C ATOM 648 O LYS A 42 61.916 -23.861 9.447 1.00 0.00 O ATOM 649 CB LYS A 42 59.487 -24.488 8.294 1.00 0.00 C ATOM 650 CG LYS A 42 60.241 -25.572 7.520 1.00 0.00 C ATOM 651 CD LYS A 42 59.539 -26.926 7.676 1.00 0.00 C ATOM 652 CE LYS A 42 59.692 -27.452 9.106 1.00 0.00 C ATOM 653 NZ LYS A 42 59.361 -28.905 9.124 1.00 0.00 N ATOM 0 H LYS A 42 60.888 -23.350 6.051 1.00 0.00 H new ATOM 0 HA LYS A 42 59.549 -22.351 8.493 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.518 -24.698 9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 42 58.437 -24.477 8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 42 60.296 -25.303 6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 42 61.266 -25.642 7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 42 58.482 -26.824 7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 42 59.961 -27.643 6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 42 60.711 -27.293 9.459 1.00 0.00 H new ATOM 0 HE3 LYS A 42 59.032 -26.907 9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 59.462 -29.272 10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 58.382 -29.042 8.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 60.008 -29.416 8.491 1.00 0.00 H new ATOM 667 N VAL A 43 62.375 -22.193 8.001 1.00 0.00 N ATOM 668 CA VAL A 43 63.768 -22.042 8.430 1.00 0.00 C ATOM 669 C VAL A 43 64.090 -20.563 8.614 1.00 0.00 C ATOM 670 O VAL A 43 63.776 -19.735 7.761 1.00 0.00 O ATOM 671 CB VAL A 43 64.709 -22.644 7.385 1.00 0.00 C ATOM 672 CG1 VAL A 43 66.145 -22.659 7.924 1.00 0.00 C ATOM 673 CG2 VAL A 43 64.272 -24.077 7.058 1.00 0.00 C ATOM 0 H VAL A 43 62.094 -21.553 7.258 1.00 0.00 H new ATOM 0 HA VAL A 43 63.905 -22.566 9.376 1.00 0.00 H new ATOM 0 HB VAL A 43 64.669 -22.037 6.480 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.810 -23.089 7.175 1.00 0.00 H new ATOM 0 HG12 VAL A 43 66.460 -21.640 8.147 1.00 0.00 H new ATOM 0 HG13 VAL A 43 66.186 -23.259 8.833 1.00 0.00 H new ATOM 0 HG21 VAL A 43 64.945 -24.502 6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.304 -24.683 7.964 1.00 0.00 H new ATOM 0 HG23 VAL A 43 63.256 -24.067 6.664 1.00 0.00 H new ATOM 683 N THR A 44 64.734 -20.243 9.727 1.00 0.00 N ATOM 684 CA THR A 44 65.107 -18.856 10.024 1.00 0.00 C ATOM 685 C THR A 44 66.589 -18.633 9.743 1.00 0.00 C ATOM 686 O THR A 44 67.451 -19.257 10.364 1.00 0.00 O ATOM 687 CB THR A 44 64.819 -18.550 11.498 1.00 0.00 C ATOM 688 OG1 THR A 44 63.540 -19.063 11.845 1.00 0.00 O ATOM 689 CG2 THR A 44 64.834 -17.036 11.738 1.00 0.00 C ATOM 0 H THR A 44 65.011 -20.917 10.440 1.00 0.00 H new ATOM 0 HA THR A 44 64.521 -18.192 9.388 1.00 0.00 H new ATOM 0 HB THR A 44 65.588 -19.018 12.112 1.00 0.00 H new ATOM 0 HG1 THR A 44 63.355 -18.870 12.788 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.628 -16.832 12.789 1.00 0.00 H new ATOM 0 HG22 THR A 44 65.813 -16.636 11.476 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.071 -16.562 11.120 1.00 0.00 H new ATOM 697 N VAL A 45 66.880 -17.736 8.807 1.00 0.00 N ATOM 698 CA VAL A 45 68.265 -17.419 8.439 1.00 0.00 C ATOM 699 C VAL A 45 68.433 -15.905 8.312 1.00 0.00 C ATOM 700 O VAL A 45 67.448 -15.178 8.188 1.00 0.00 O ATOM 701 CB VAL A 45 68.619 -18.102 7.110 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.559 -19.617 7.287 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.616 -17.680 6.035 1.00 0.00 C ATOM 0 H VAL A 45 66.177 -17.212 8.285 1.00 0.00 H new ATOM 0 HA VAL A 45 68.936 -17.786 9.215 1.00 0.00 H new ATOM 0 HB VAL A 45 69.624 -17.807 6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.810 -20.104 6.345 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.271 -19.922 8.054 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.553 -19.908 7.589 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.868 -18.165 5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.612 -17.976 6.338 1.00 0.00 H new ATOM 0 HG23 VAL A 45 67.653 -16.598 5.908 1.00 0.00 H new ATOM 713 N LYS A 46 69.682 -15.433 8.346 1.00 0.00 N ATOM 714 CA LYS A 46 69.958 -13.994 8.236 1.00 0.00 C ATOM 715 C LYS A 46 71.107 -13.735 7.263 1.00 0.00 C ATOM 716 O LYS A 46 72.132 -14.417 7.298 1.00 0.00 O ATOM 717 CB LYS A 46 70.277 -13.389 9.619 1.00 0.00 C ATOM 718 CG LYS A 46 71.654 -13.835 10.138 1.00 0.00 C ATOM 719 CD LYS A 46 71.891 -13.213 11.516 1.00 0.00 C ATOM 720 CE LYS A 46 73.315 -13.521 11.980 1.00 0.00 C ATOM 721 NZ LYS A 46 73.459 -14.989 12.200 1.00 0.00 N ATOM 0 H LYS A 46 70.512 -16.017 8.448 1.00 0.00 H new ATOM 0 HA LYS A 46 69.062 -13.509 7.848 1.00 0.00 H new ATOM 0 HB2 LYS A 46 70.249 -12.301 9.554 1.00 0.00 H new ATOM 0 HB3 LYS A 46 69.507 -13.686 10.331 1.00 0.00 H new ATOM 0 HG2 LYS A 46 71.698 -14.922 10.203 1.00 0.00 H new ATOM 0 HG3 LYS A 46 72.436 -13.525 9.445 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.738 -12.135 11.471 1.00 0.00 H new ATOM 0 HD3 LYS A 46 71.171 -13.607 12.233 1.00 0.00 H new ATOM 0 HE2 LYS A 46 74.034 -13.182 11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 46 73.534 -12.981 12.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 74.340 -15.177 12.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 72.650 -15.338 12.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 73.487 -15.477 11.282 1.00 0.00 H new ATOM 735 N ILE A 47 70.913 -12.743 6.390 1.00 0.00 N ATOM 736 CA ILE A 47 71.919 -12.375 5.385 1.00 0.00 C ATOM 737 C ILE A 47 72.290 -10.892 5.516 1.00 0.00 C ATOM 738 O ILE A 47 71.720 -10.050 4.822 1.00 0.00 O ATOM 739 CB ILE A 47 71.355 -12.621 3.982 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.964 -14.095 3.843 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.416 -12.269 2.937 1.00 0.00 C ATOM 742 CD1 ILE A 47 70.069 -14.286 2.616 1.00 0.00 C ATOM 0 H ILE A 47 70.065 -12.177 6.358 1.00 0.00 H new ATOM 0 HA ILE A 47 72.809 -12.984 5.545 1.00 0.00 H new ATOM 0 HB ILE A 47 70.475 -11.997 3.827 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.859 -14.710 3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.441 -14.427 4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 47 72.015 -12.444 1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.692 -11.220 3.038 1.00 0.00 H new ATOM 0 HG23 ILE A 47 73.297 -12.893 3.089 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.796 -15.337 2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.167 -13.685 2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.606 -13.972 1.721 1.00 0.00 H new ATOM 754 N PRO A 48 73.224 -10.554 6.376 1.00 0.00 N ATOM 755 CA PRO A 48 73.658 -9.141 6.580 1.00 0.00 C ATOM 756 C PRO A 48 74.642 -8.669 5.504 1.00 0.00 C ATOM 757 O PRO A 48 75.444 -9.458 5.005 1.00 0.00 O ATOM 758 CB PRO A 48 74.303 -9.184 7.973 1.00 0.00 C ATOM 759 CG PRO A 48 74.870 -10.563 8.094 1.00 0.00 C ATOM 760 CD PRO A 48 73.975 -11.482 7.248 1.00 0.00 C ATOM 0 HA PRO A 48 72.835 -8.430 6.507 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.081 -8.427 8.071 1.00 0.00 H new ATOM 0 HB3 PRO A 48 73.568 -8.989 8.754 1.00 0.00 H new ATOM 0 HG2 PRO A 48 75.900 -10.591 7.738 1.00 0.00 H new ATOM 0 HG3 PRO A 48 74.883 -10.886 9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.567 -12.187 6.664 1.00 0.00 H new ATOM 0 HD3 PRO A 48 73.305 -12.071 7.874 1.00 0.00 H new ATOM 768 N SER A 49 74.577 -7.373 5.162 1.00 0.00 N ATOM 769 CA SER A 49 75.467 -6.776 4.161 1.00 0.00 C ATOM 770 C SER A 49 74.887 -6.862 2.743 1.00 0.00 C ATOM 771 O SER A 49 75.492 -7.456 1.851 1.00 0.00 O ATOM 772 CB SER A 49 76.853 -7.437 4.204 1.00 0.00 C ATOM 773 OG SER A 49 77.837 -6.494 3.795 1.00 0.00 O ATOM 0 H SER A 49 73.911 -6.716 5.569 1.00 0.00 H new ATOM 0 HA SER A 49 75.565 -5.720 4.413 1.00 0.00 H new ATOM 0 HB2 SER A 49 77.069 -7.791 5.212 1.00 0.00 H new ATOM 0 HB3 SER A 49 76.873 -8.308 3.549 1.00 0.00 H new ATOM 0 HG SER A 49 78.723 -6.912 3.823 1.00 0.00 H new ATOM 779 N PRO A 50 73.750 -6.256 2.514 1.00 0.00 N ATOM 780 CA PRO A 50 73.104 -6.236 1.172 1.00 0.00 C ATOM 781 C PRO A 50 73.708 -5.149 0.279 1.00 0.00 C ATOM 782 O PRO A 50 73.030 -4.604 -0.590 1.00 0.00 O ATOM 783 CB PRO A 50 71.642 -5.935 1.498 1.00 0.00 C ATOM 784 CG PRO A 50 71.711 -5.067 2.718 1.00 0.00 C ATOM 785 CD PRO A 50 72.947 -5.525 3.509 1.00 0.00 C ATOM 0 HA PRO A 50 73.238 -7.166 0.619 1.00 0.00 H new ATOM 0 HB2 PRO A 50 71.147 -5.424 0.673 1.00 0.00 H new ATOM 0 HB3 PRO A 50 71.080 -6.849 1.690 1.00 0.00 H new ATOM 0 HG2 PRO A 50 71.794 -4.016 2.442 1.00 0.00 H new ATOM 0 HG3 PRO A 50 70.807 -5.168 3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 50 73.495 -4.678 3.921 1.00 0.00 H new ATOM 0 HD3 PRO A 50 72.671 -6.164 4.348 1.00 0.00 H new ATOM 793 N VAL A 51 74.982 -4.835 0.520 1.00 0.00 N ATOM 794 CA VAL A 51 75.686 -3.796 -0.254 1.00 0.00 C ATOM 795 C VAL A 51 75.170 -2.405 0.137 1.00 0.00 C ATOM 796 O VAL A 51 74.018 -2.066 -0.133 1.00 0.00 O ATOM 797 CB VAL A 51 75.501 -4.016 -1.768 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.538 -3.186 -2.541 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.693 -5.505 -2.105 1.00 0.00 C ATOM 0 H VAL A 51 75.551 -5.280 1.241 1.00 0.00 H new ATOM 0 HA VAL A 51 76.749 -3.863 -0.023 1.00 0.00 H new ATOM 0 HB VAL A 51 74.496 -3.705 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 51 76.405 -3.343 -3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 51 76.404 -2.129 -2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.542 -3.496 -2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.561 -5.655 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.696 -5.817 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 51 74.958 -6.099 -1.562 1.00 0.00 H new ATOM 809 N ARG A 52 76.021 -1.609 0.790 1.00 0.00 N ATOM 810 CA ARG A 52 75.629 -0.270 1.229 1.00 0.00 C ATOM 811 C ARG A 52 75.212 0.612 0.054 1.00 0.00 C ATOM 812 O ARG A 52 75.752 0.493 -1.046 1.00 0.00 O ATOM 813 CB ARG A 52 76.799 0.384 1.971 1.00 0.00 C ATOM 814 CG ARG A 52 78.001 0.534 1.030 1.00 0.00 C ATOM 815 CD ARG A 52 79.154 1.193 1.788 1.00 0.00 C ATOM 816 NE ARG A 52 80.308 1.356 0.911 1.00 0.00 N ATOM 817 CZ ARG A 52 81.420 1.945 1.338 1.00 0.00 C ATOM 818 NH1 ARG A 52 81.490 2.397 2.559 1.00 0.00 N ATOM 819 NH2 ARG A 52 82.442 2.062 0.536 1.00 0.00 N ATOM 0 H ARG A 52 76.979 -1.867 1.024 1.00 0.00 H new ATOM 0 HA ARG A 52 74.770 -0.371 1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.499 1.361 2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 52 77.076 -0.221 2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 52 78.308 -0.442 0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.727 1.137 0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.839 2.164 2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 52 79.427 0.584 2.650 1.00 0.00 H new ATOM 0 HE ARG A 52 80.261 1.011 -0.048 1.00 0.00 H new ATOM 0 HH11 ARG A 52 80.691 2.298 3.186 1.00 0.00 H new ATOM 0 HH12 ARG A 52 82.343 2.849 2.887 1.00 0.00 H new ATOM 0 HH21 ARG A 52 82.387 1.702 -0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 52 83.297 2.514 0.862 1.00 0.00 H new ATOM 833 N GLY A 53 74.249 1.500 0.298 1.00 0.00 N ATOM 834 CA GLY A 53 73.777 2.406 -0.742 1.00 0.00 C ATOM 835 C GLY A 53 72.546 3.183 -0.273 1.00 0.00 C ATOM 836 O GLY A 53 72.475 3.599 0.885 1.00 0.00 O ATOM 0 H GLY A 53 73.785 1.609 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.571 3.103 -1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.533 1.839 -1.640 1.00 0.00 H new ATOM 840 N LYS A 54 71.581 3.391 -1.177 1.00 0.00 N ATOM 841 CA LYS A 54 70.355 4.132 -0.849 1.00 0.00 C ATOM 842 C LYS A 54 69.126 3.283 -1.183 1.00 0.00 C ATOM 843 O LYS A 54 69.074 2.652 -2.238 1.00 0.00 O ATOM 844 CB LYS A 54 70.326 5.447 -1.652 1.00 0.00 C ATOM 845 CG LYS A 54 69.455 6.494 -0.940 1.00 0.00 C ATOM 846 CD LYS A 54 69.537 7.839 -1.686 1.00 0.00 C ATOM 847 CE LYS A 54 70.867 8.545 -1.387 1.00 0.00 C ATOM 848 NZ LYS A 54 70.778 9.967 -1.823 1.00 0.00 N ATOM 0 H LYS A 54 71.624 3.058 -2.140 1.00 0.00 H new ATOM 0 HA LYS A 54 70.341 4.360 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.340 5.829 -1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 54 69.936 5.260 -2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 54 68.421 6.153 -0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 54 69.790 6.618 0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 54 69.441 7.672 -2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 54 68.705 8.477 -1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 54 71.088 8.493 -0.321 1.00 0.00 H new ATOM 0 HE3 LYS A 54 71.683 8.043 -1.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 71.678 10.449 -1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 70.585 10.006 -2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 70.009 10.441 -1.307 1.00 0.00 H new ATOM 862 N ILE A 55 68.136 3.278 -0.283 1.00 0.00 N ATOM 863 CA ILE A 55 66.913 2.502 -0.500 1.00 0.00 C ATOM 864 C ILE A 55 65.870 3.388 -1.193 1.00 0.00 C ATOM 865 O ILE A 55 65.474 4.424 -0.661 1.00 0.00 O ATOM 866 CB ILE A 55 66.374 2.008 0.856 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.548 1.594 1.760 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.457 0.797 0.643 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.418 0.534 1.074 1.00 0.00 C ATOM 0 H ILE A 55 68.158 3.798 0.594 1.00 0.00 H new ATOM 0 HA ILE A 55 67.126 1.640 -1.132 1.00 0.00 H new ATOM 0 HB ILE A 55 65.811 2.814 1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.154 2.468 2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.166 1.202 2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.079 0.453 1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.620 1.082 0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.019 -0.006 0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.241 0.257 1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.815 -0.347 0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.817 0.938 0.144 1.00 0.00 H new ATOM 881 N VAL A 56 65.453 2.994 -2.397 1.00 0.00 N ATOM 882 CA VAL A 56 64.487 3.795 -3.162 1.00 0.00 C ATOM 883 C VAL A 56 63.044 3.600 -2.678 1.00 0.00 C ATOM 884 O VAL A 56 62.336 4.580 -2.446 1.00 0.00 O ATOM 885 CB VAL A 56 64.596 3.444 -4.664 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.359 3.931 -5.439 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.848 4.114 -5.256 1.00 0.00 C ATOM 0 H VAL A 56 65.761 2.139 -2.861 1.00 0.00 H new ATOM 0 HA VAL A 56 64.735 4.845 -3.004 1.00 0.00 H new ATOM 0 HB VAL A 56 64.663 2.360 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.464 3.670 -6.492 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.466 3.455 -5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.270 5.013 -5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.926 3.868 -6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.772 5.195 -5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.734 3.755 -4.733 1.00 0.00 H new ATOM 897 N LYS A 57 62.598 2.354 -2.554 1.00 0.00 N ATOM 898 CA LYS A 57 61.218 2.107 -2.129 1.00 0.00 C ATOM 899 C LYS A 57 60.993 0.628 -1.845 1.00 0.00 C ATOM 900 O LYS A 57 61.741 -0.225 -2.318 1.00 0.00 O ATOM 901 CB LYS A 57 60.257 2.584 -3.227 1.00 0.00 C ATOM 902 CG LYS A 57 58.805 2.484 -2.752 1.00 0.00 C ATOM 903 CD LYS A 57 57.890 3.084 -3.820 1.00 0.00 C ATOM 904 CE LYS A 57 56.436 3.005 -3.354 1.00 0.00 C ATOM 905 NZ LYS A 57 55.551 3.610 -4.391 1.00 0.00 N ATOM 0 H LYS A 57 63.152 1.517 -2.735 1.00 0.00 H new ATOM 0 HA LYS A 57 61.029 2.660 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.487 3.615 -3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.394 1.981 -4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.539 1.443 -2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.680 3.014 -1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.166 4.121 -4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.011 2.546 -4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.154 1.967 -3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 57 56.317 3.531 -2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 54.561 3.557 -4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 55.816 4.605 -4.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 55.658 3.090 -5.285 1.00 0.00 H new ATOM 919 N ILE A 58 59.961 0.335 -1.056 1.00 0.00 N ATOM 920 CA ILE A 58 59.637 -1.039 -0.684 1.00 0.00 C ATOM 921 C ILE A 58 58.352 -1.506 -1.382 1.00 0.00 C ATOM 922 O ILE A 58 57.300 -0.879 -1.254 1.00 0.00 O ATOM 923 CB ILE A 58 59.470 -1.077 0.842 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.591 -2.517 1.350 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.108 -0.490 1.240 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.090 -2.621 2.800 1.00 0.00 C ATOM 0 H ILE A 58 59.333 1.035 -0.661 1.00 0.00 H new ATOM 0 HA ILE A 58 60.434 -1.713 -0.997 1.00 0.00 H new ATOM 0 HB ILE A 58 60.258 -0.476 1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.013 -3.184 0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.630 -2.843 1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 58 58.001 -0.522 2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 58 58.044 0.543 0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.311 -1.074 0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.183 -3.651 3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.686 -1.969 3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 58 58.044 -2.316 2.846 1.00 0.00 H new ATOM 938 N LEU A 59 58.455 -2.611 -2.122 1.00 0.00 N ATOM 939 CA LEU A 59 57.309 -3.167 -2.847 1.00 0.00 C ATOM 940 C LEU A 59 56.662 -4.303 -2.056 1.00 0.00 C ATOM 941 O LEU A 59 55.527 -4.692 -2.330 1.00 0.00 O ATOM 942 CB LEU A 59 57.773 -3.705 -4.207 1.00 0.00 C ATOM 943 CG LEU A 59 58.330 -2.562 -5.071 1.00 0.00 C ATOM 944 CD1 LEU A 59 58.947 -3.159 -6.340 1.00 0.00 C ATOM 945 CD2 LEU A 59 57.202 -1.585 -5.462 1.00 0.00 C ATOM 0 H LEU A 59 59.320 -3.139 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 59 56.575 -2.373 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.539 -4.467 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 59 56.939 -4.185 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 59 59.084 -2.016 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 59 59.346 -2.358 -6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 59 59.752 -3.842 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 59 58.183 -3.703 -6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 59 57.612 -0.781 -6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 59 56.439 -2.118 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.757 -1.164 -4.561 1.00 0.00 H new ATOM 957 N TYR A 60 57.400 -4.847 -1.088 1.00 0.00 N ATOM 958 CA TYR A 60 56.898 -5.959 -0.270 1.00 0.00 C ATOM 959 C TYR A 60 56.600 -5.491 1.152 1.00 0.00 C ATOM 960 O TYR A 60 57.305 -4.642 1.699 1.00 0.00 O ATOM 961 CB TYR A 60 57.937 -7.103 -0.246 1.00 0.00 C ATOM 962 CG TYR A 60 57.731 -8.016 -1.448 1.00 0.00 C ATOM 963 CD1 TYR A 60 57.749 -7.475 -2.744 1.00 0.00 C ATOM 964 CD2 TYR A 60 57.509 -9.393 -1.274 1.00 0.00 C ATOM 965 CE1 TYR A 60 57.549 -8.303 -3.855 1.00 0.00 C ATOM 966 CE2 TYR A 60 57.312 -10.215 -2.390 1.00 0.00 C ATOM 967 CZ TYR A 60 57.331 -9.673 -3.678 1.00 0.00 C ATOM 968 OH TYR A 60 57.127 -10.492 -4.770 1.00 0.00 O ATOM 0 H TYR A 60 58.343 -4.540 -0.849 1.00 0.00 H new ATOM 0 HA TYR A 60 55.971 -6.325 -0.712 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.946 -6.690 -0.261 1.00 0.00 H new ATOM 0 HB3 TYR A 60 57.840 -7.675 0.677 1.00 0.00 H new ATOM 0 HD1 TYR A 60 57.918 -6.417 -2.884 1.00 0.00 H new ATOM 0 HD2 TYR A 60 57.490 -9.816 -0.281 1.00 0.00 H new ATOM 0 HE1 TYR A 60 57.563 -7.883 -4.850 1.00 0.00 H new ATOM 0 HE2 TYR A 60 57.144 -11.273 -2.255 1.00 0.00 H new ATOM 0 HH TYR A 60 56.993 -11.414 -4.467 1.00 0.00 H new ATOM 978 N ARG A 61 55.543 -6.060 1.739 1.00 0.00 N ATOM 979 CA ARG A 61 55.127 -5.715 3.100 1.00 0.00 C ATOM 980 C ARG A 61 55.238 -6.935 4.013 1.00 0.00 C ATOM 981 O ARG A 61 55.308 -8.071 3.545 1.00 0.00 O ATOM 982 CB ARG A 61 53.682 -5.212 3.085 1.00 0.00 C ATOM 983 CG ARG A 61 52.764 -6.275 2.475 1.00 0.00 C ATOM 984 CD ARG A 61 51.324 -5.761 2.474 1.00 0.00 C ATOM 985 NE ARG A 61 50.436 -6.740 1.851 1.00 0.00 N ATOM 986 CZ ARG A 61 49.875 -7.718 2.560 1.00 0.00 C ATOM 987 NH1 ARG A 61 50.147 -7.834 3.831 1.00 0.00 N ATOM 988 NH2 ARG A 61 49.066 -8.563 1.984 1.00 0.00 N ATOM 0 H ARG A 61 54.958 -6.765 1.290 1.00 0.00 H new ATOM 0 HA ARG A 61 55.781 -4.930 3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.359 -4.979 4.100 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.616 -4.289 2.510 1.00 0.00 H new ATOM 0 HG2 ARG A 61 53.081 -6.505 1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 61 52.831 -7.201 3.046 1.00 0.00 H new ATOM 0 HD2 ARG A 61 51.000 -5.565 3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 61 51.269 -4.815 1.935 1.00 0.00 H new ATOM 0 HE ARG A 61 50.242 -6.673 0.852 1.00 0.00 H new ATOM 0 HH11 ARG A 61 50.787 -7.177 4.278 1.00 0.00 H new ATOM 0 HH12 ARG A 61 49.720 -8.581 4.378 1.00 0.00 H new ATOM 0 HH21 ARG A 61 48.862 -8.476 0.988 1.00 0.00 H new ATOM 0 HH22 ARG A 61 48.638 -9.311 2.529 1.00 0.00 H new ATOM 1002 N GLU A 62 55.277 -6.682 5.315 1.00 0.00 N ATOM 1003 CA GLU A 62 55.409 -7.749 6.301 1.00 0.00 C ATOM 1004 C GLU A 62 54.287 -8.780 6.172 1.00 0.00 C ATOM 1005 O GLU A 62 53.127 -8.431 5.948 1.00 0.00 O ATOM 1006 CB GLU A 62 55.373 -7.158 7.718 1.00 0.00 C ATOM 1007 CG GLU A 62 56.570 -6.221 7.935 1.00 0.00 C ATOM 1008 CD GLU A 62 56.272 -4.828 7.381 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.226 -4.661 6.776 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.089 -3.945 7.582 1.00 0.00 O ATOM 0 H GLU A 62 55.219 -5.745 5.714 1.00 0.00 H new ATOM 0 HA GLU A 62 56.362 -8.246 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.442 -6.611 7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.393 -7.961 8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 62 56.798 -6.154 8.999 1.00 0.00 H new ATOM 0 HG3 GLU A 62 57.453 -6.631 7.445 1.00 0.00 H new ATOM 1017 N GLY A 63 54.644 -10.053 6.338 1.00 0.00 N ATOM 1018 CA GLY A 63 53.654 -11.134 6.264 1.00 0.00 C ATOM 1019 C GLY A 63 53.344 -11.526 4.823 1.00 0.00 C ATOM 1020 O GLY A 63 52.464 -12.351 4.577 1.00 0.00 O ATOM 0 H GLY A 63 55.598 -10.362 6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 63 54.026 -12.004 6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.736 -10.819 6.760 1.00 0.00 H new ATOM 1024 N GLN A 64 54.059 -10.935 3.873 1.00 0.00 N ATOM 1025 CA GLN A 64 53.827 -11.239 2.462 1.00 0.00 C ATOM 1026 C GLN A 64 54.606 -12.485 2.048 1.00 0.00 C ATOM 1027 O GLN A 64 55.782 -12.631 2.377 1.00 0.00 O ATOM 1028 CB GLN A 64 54.258 -10.051 1.606 1.00 0.00 C ATOM 1029 CG GLN A 64 53.770 -10.248 0.171 1.00 0.00 C ATOM 1030 CD GLN A 64 54.139 -9.033 -0.669 1.00 0.00 C ATOM 1031 OE1 GLN A 64 54.373 -7.955 -0.123 1.00 0.00 O ATOM 1032 NE2 GLN A 64 54.215 -9.141 -1.967 1.00 0.00 N ATOM 0 H GLN A 64 54.795 -10.251 4.048 1.00 0.00 H new ATOM 0 HA GLN A 64 52.764 -11.429 2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 64 53.849 -9.127 2.016 1.00 0.00 H new ATOM 0 HB3 GLN A 64 55.344 -9.954 1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 64 54.217 -11.146 -0.255 1.00 0.00 H new ATOM 0 HG3 GLN A 64 52.690 -10.394 0.161 1.00 0.00 H new ATOM 0 HE21 GLN A 64 54.021 -10.036 -2.417 1.00 0.00 H new ATOM 0 HE22 GLN A 64 54.469 -8.331 -2.532 1.00 0.00 H new ATOM 1041 N VAL A 65 53.933 -13.378 1.315 1.00 0.00 N ATOM 1042 CA VAL A 65 54.546 -14.622 0.839 1.00 0.00 C ATOM 1043 C VAL A 65 54.379 -14.734 -0.675 1.00 0.00 C ATOM 1044 O VAL A 65 53.268 -14.594 -1.190 1.00 0.00 O ATOM 1045 CB VAL A 65 53.877 -15.830 1.513 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.357 -15.765 1.314 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.412 -17.123 0.890 1.00 0.00 C ATOM 0 H VAL A 65 52.958 -13.261 1.037 1.00 0.00 H new ATOM 0 HA VAL A 65 55.607 -14.610 1.090 1.00 0.00 H new ATOM 0 HB VAL A 65 54.102 -15.813 2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 65 51.890 -16.625 1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 65 51.971 -14.847 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.129 -15.777 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 65 53.938 -17.980 1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.189 -17.132 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.491 -17.178 1.035 1.00 0.00 H new ATOM 1057 N VAL A 66 55.479 -14.992 -1.387 1.00 0.00 N ATOM 1058 CA VAL A 66 55.428 -15.122 -2.851 1.00 0.00 C ATOM 1059 C VAL A 66 56.495 -16.110 -3.355 1.00 0.00 C ATOM 1060 O VAL A 66 57.624 -16.083 -2.862 1.00 0.00 O ATOM 1061 CB VAL A 66 55.694 -13.753 -3.487 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.330 -13.784 -4.969 1.00 0.00 C ATOM 1063 CG2 VAL A 66 54.862 -12.679 -2.789 1.00 0.00 C ATOM 0 H VAL A 66 56.407 -15.114 -0.982 1.00 0.00 H new ATOM 0 HA VAL A 66 54.441 -15.494 -3.128 1.00 0.00 H new ATOM 0 HB VAL A 66 56.753 -13.520 -3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 66 55.523 -12.807 -5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 66 55.933 -14.537 -5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.274 -14.030 -5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.059 -11.710 -3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 66 53.803 -12.919 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.130 -12.640 -1.733 1.00 0.00 H new ATOM 1073 N PRO A 67 56.207 -16.962 -4.333 1.00 0.00 N ATOM 1074 CA PRO A 67 57.240 -17.903 -4.868 1.00 0.00 C ATOM 1075 C PRO A 67 58.480 -17.147 -5.370 1.00 0.00 C ATOM 1076 O PRO A 67 58.367 -16.042 -5.899 1.00 0.00 O ATOM 1077 CB PRO A 67 56.539 -18.631 -6.033 1.00 0.00 C ATOM 1078 CG PRO A 67 55.069 -18.446 -5.808 1.00 0.00 C ATOM 1079 CD PRO A 67 54.902 -17.144 -5.015 1.00 0.00 C ATOM 0 HA PRO A 67 57.598 -18.590 -4.101 1.00 0.00 H new ATOM 0 HB2 PRO A 67 56.843 -18.214 -6.993 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.802 -19.689 -6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.537 -18.391 -6.758 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.653 -19.290 -5.258 1.00 0.00 H new ATOM 0 HD2 PRO A 67 54.676 -16.304 -5.672 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.085 -17.217 -4.298 1.00 0.00 H new ATOM 1087 N VAL A 68 59.653 -17.756 -5.201 1.00 0.00 N ATOM 1088 CA VAL A 68 60.904 -17.133 -5.636 1.00 0.00 C ATOM 1089 C VAL A 68 60.855 -16.760 -7.117 1.00 0.00 C ATOM 1090 O VAL A 68 60.596 -17.603 -7.977 1.00 0.00 O ATOM 1091 CB VAL A 68 62.073 -18.101 -5.395 1.00 0.00 C ATOM 1092 CG1 VAL A 68 61.785 -19.449 -6.067 1.00 0.00 C ATOM 1093 CG2 VAL A 68 63.367 -17.516 -5.977 1.00 0.00 C ATOM 0 H VAL A 68 59.764 -18.673 -4.769 1.00 0.00 H new ATOM 0 HA VAL A 68 61.046 -16.221 -5.057 1.00 0.00 H new ATOM 0 HB VAL A 68 62.189 -18.247 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 68 62.619 -20.129 -5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 68 60.874 -19.877 -5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 68 61.658 -19.301 -7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 68 64.190 -18.208 -5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 68 63.246 -17.360 -7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 68 63.585 -16.563 -5.494 1.00 0.00 H new ATOM 1103 N GLY A 69 61.137 -15.490 -7.404 1.00 0.00 N ATOM 1104 CA GLY A 69 61.157 -14.998 -8.786 1.00 0.00 C ATOM 1105 C GLY A 69 60.619 -13.570 -8.900 1.00 0.00 C ATOM 1106 O GLY A 69 59.773 -13.288 -9.748 1.00 0.00 O ATOM 0 H GLY A 69 61.355 -14.783 -6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.178 -15.031 -9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.561 -15.660 -9.414 1.00 0.00 H new ATOM 1110 N SER A 70 61.111 -12.669 -8.050 1.00 0.00 N ATOM 1111 CA SER A 70 60.663 -11.279 -8.090 1.00 0.00 C ATOM 1112 C SER A 70 61.659 -10.362 -7.393 1.00 0.00 C ATOM 1113 O SER A 70 62.499 -10.817 -6.614 1.00 0.00 O ATOM 1114 CB SER A 70 59.293 -11.145 -7.429 1.00 0.00 C ATOM 1115 OG SER A 70 59.334 -11.735 -6.136 1.00 0.00 O ATOM 0 H SER A 70 61.810 -12.873 -7.335 1.00 0.00 H new ATOM 0 HA SER A 70 60.591 -10.981 -9.136 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.015 -10.094 -7.353 1.00 0.00 H new ATOM 0 HB3 SER A 70 58.533 -11.632 -8.040 1.00 0.00 H new ATOM 0 HG SER A 70 58.620 -11.357 -5.581 1.00 0.00 H new ATOM 1121 N THR A 71 61.558 -9.061 -7.671 1.00 0.00 N ATOM 1122 CA THR A 71 62.452 -8.081 -7.055 1.00 0.00 C ATOM 1123 C THR A 71 61.800 -7.490 -5.814 1.00 0.00 C ATOM 1124 O THR A 71 60.852 -6.709 -5.902 1.00 0.00 O ATOM 1125 CB THR A 71 62.774 -6.963 -8.059 1.00 0.00 C ATOM 1126 OG1 THR A 71 61.628 -6.693 -8.853 1.00 0.00 O ATOM 1127 CG2 THR A 71 63.920 -7.412 -8.966 1.00 0.00 C ATOM 0 H THR A 71 60.872 -8.665 -8.313 1.00 0.00 H new ATOM 0 HA THR A 71 63.378 -8.578 -6.766 1.00 0.00 H new ATOM 0 HB THR A 71 63.063 -6.062 -7.518 1.00 0.00 H new ATOM 0 HG1 THR A 71 60.848 -6.575 -8.272 1.00 0.00 H new ATOM 0 HG21 THR A 71 64.151 -6.621 -9.679 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.802 -7.623 -8.361 1.00 0.00 H new ATOM 0 HG23 THR A 71 63.626 -8.312 -9.505 1.00 0.00 H new ATOM 1135 N LEU A 72 62.314 -7.882 -4.659 1.00 0.00 N ATOM 1136 CA LEU A 72 61.787 -7.404 -3.394 1.00 0.00 C ATOM 1137 C LEU A 72 62.044 -5.912 -3.200 1.00 0.00 C ATOM 1138 O LEU A 72 61.193 -5.199 -2.668 1.00 0.00 O ATOM 1139 CB LEU A 72 62.420 -8.190 -2.242 1.00 0.00 C ATOM 1140 CG LEU A 72 61.882 -9.633 -2.201 1.00 0.00 C ATOM 1141 CD1 LEU A 72 60.393 -9.647 -1.819 1.00 0.00 C ATOM 1142 CD2 LEU A 72 62.074 -10.316 -3.560 1.00 0.00 C ATOM 0 H LEU A 72 63.096 -8.531 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 72 60.708 -7.558 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 72 63.504 -8.205 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.208 -7.691 -1.296 1.00 0.00 H new ATOM 0 HG LEU A 72 62.444 -10.181 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 72 60.033 -10.676 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 72 60.266 -9.196 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 72 59.823 -9.080 -2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.688 -11.334 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 72 61.535 -9.759 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 72 63.135 -10.341 -3.808 1.00 0.00 H new ATOM 1154 N LEU A 73 63.222 -5.441 -3.606 1.00 0.00 N ATOM 1155 CA LEU A 73 63.558 -4.028 -3.424 1.00 0.00 C ATOM 1156 C LEU A 73 64.566 -3.581 -4.483 1.00 0.00 C ATOM 1157 O LEU A 73 65.446 -4.346 -4.877 1.00 0.00 O ATOM 1158 CB LEU A 73 64.152 -3.856 -2.010 1.00 0.00 C ATOM 1159 CG LEU A 73 63.896 -2.456 -1.428 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.516 -2.407 -0.024 1.00 0.00 C ATOM 1161 CD2 LEU A 73 64.526 -1.363 -2.312 1.00 0.00 C ATOM 0 H LEU A 73 63.947 -6.002 -4.054 1.00 0.00 H new ATOM 0 HA LEU A 73 62.665 -3.413 -3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.722 -4.606 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.226 -4.040 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 73 62.823 -2.271 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.349 -1.423 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.053 -3.167 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.587 -2.596 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.329 -0.384 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.602 -1.522 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.093 -1.409 -3.311 1.00 0.00 H new ATOM 1173 N GLN A 74 64.451 -2.327 -4.917 1.00 0.00 N ATOM 1174 CA GLN A 74 65.387 -1.770 -5.906 1.00 0.00 C ATOM 1175 C GLN A 74 66.365 -0.840 -5.195 1.00 0.00 C ATOM 1176 O GLN A 74 65.961 0.011 -4.403 1.00 0.00 O ATOM 1177 CB GLN A 74 64.632 -1.015 -7.021 1.00 0.00 C ATOM 1178 CG GLN A 74 64.154 -2.001 -8.105 1.00 0.00 C ATOM 1179 CD GLN A 74 63.315 -1.267 -9.146 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.078 -0.067 -9.020 1.00 0.00 O ATOM 1181 NE2 GLN A 74 62.852 -1.924 -10.174 1.00 0.00 N ATOM 0 H GLN A 74 63.728 -1.678 -4.606 1.00 0.00 H new ATOM 0 HA GLN A 74 65.935 -2.586 -6.377 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.778 -0.487 -6.598 1.00 0.00 H new ATOM 0 HB3 GLN A 74 65.283 -0.263 -7.466 1.00 0.00 H new ATOM 0 HG2 GLN A 74 65.013 -2.471 -8.584 1.00 0.00 H new ATOM 0 HG3 GLN A 74 63.567 -2.798 -7.649 1.00 0.00 H new ATOM 0 HE21 GLN A 74 63.051 -2.919 -10.275 1.00 0.00 H new ATOM 0 HE22 GLN A 74 62.291 -1.442 -10.877 1.00 0.00 H new ATOM 1190 N ILE A 75 67.663 -1.035 -5.455 1.00 0.00 N ATOM 1191 CA ILE A 75 68.703 -0.235 -4.799 1.00 0.00 C ATOM 1192 C ILE A 75 69.659 0.386 -5.810 1.00 0.00 C ATOM 1193 O ILE A 75 70.249 -0.305 -6.639 1.00 0.00 O ATOM 1194 CB ILE A 75 69.486 -1.144 -3.845 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.562 -1.658 -2.735 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.644 -0.382 -3.203 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.227 -2.835 -2.019 1.00 0.00 C ATOM 0 H ILE A 75 68.016 -1.734 -6.109 1.00 0.00 H new ATOM 0 HA ILE A 75 68.225 0.579 -4.255 1.00 0.00 H new ATOM 0 HB ILE A 75 69.879 -1.981 -4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.351 -0.859 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.607 -1.969 -3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.187 -1.045 -2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.318 -0.023 -3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.254 0.466 -2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.569 -3.200 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.415 -3.636 -2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.171 -2.509 -1.582 1.00 0.00 H new ATOM 1209 N ASP A 76 69.815 1.700 -5.704 1.00 0.00 N ATOM 1210 CA ASP A 76 70.717 2.442 -6.581 1.00 0.00 C ATOM 1211 C ASP A 76 72.126 2.430 -5.999 1.00 0.00 C ATOM 1212 O ASP A 76 72.297 2.509 -4.782 1.00 0.00 O ATOM 1213 CB ASP A 76 70.252 3.893 -6.711 1.00 0.00 C ATOM 1214 CG ASP A 76 68.906 3.946 -7.426 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.528 2.942 -8.008 1.00 0.00 O ATOM 1216 OD2 ASP A 76 68.267 4.984 -7.372 1.00 0.00 O ATOM 0 H ASP A 76 69.328 2.276 -5.018 1.00 0.00 H new ATOM 0 HA ASP A 76 70.714 1.968 -7.563 1.00 0.00 H new ATOM 0 HB2 ASP A 76 70.167 4.346 -5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.991 4.472 -7.265 1.00 0.00 H new ATOM 1221 N THR A 77 73.135 2.342 -6.859 1.00 0.00 N ATOM 1222 CA THR A 77 74.515 2.339 -6.386 1.00 0.00 C ATOM 1223 C THR A 77 74.956 3.761 -6.053 1.00 0.00 C ATOM 1224 O THR A 77 75.742 3.919 -5.133 1.00 0.00 O ATOM 1225 CB THR A 77 75.443 1.749 -7.448 1.00 0.00 C ATOM 1226 OG1 THR A 77 76.772 1.704 -6.948 1.00 0.00 O ATOM 1227 CG2 THR A 77 75.399 2.616 -8.709 1.00 0.00 C ATOM 1228 OXT THR A 77 74.499 4.673 -6.725 1.00 0.00 O ATOM 0 H THR A 77 73.027 2.273 -7.871 1.00 0.00 H new ATOM 0 HA THR A 77 74.571 1.724 -5.488 1.00 0.00 H new ATOM 0 HB THR A 77 75.114 0.739 -7.693 1.00 0.00 H new ATOM 0 HG1 THR A 77 77.365 1.324 -7.629 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.061 2.193 -9.464 1.00 0.00 H new ATOM 0 HG22 THR A 77 74.380 2.645 -9.095 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.724 3.628 -8.466 1.00 0.00 H new