USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 MET CE :methyl -166:sc= -0.296 (180deg=-0.533) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= -3.76! (180deg=-4.85!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 19 HIS : no HD1:sc= -2.2 K(o=-2.2,f=-0.85) USER MOD Single : A 23 THR OG1 : rot -115:sc= -0.0916 USER MOD Single : A 38 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.25) USER MOD Single : A 41 MET CE :methyl 133:sc= -1.64 (180deg=-3.83!) USER MOD Single : A 44 GLN : amide:sc= -0.279 K(o=-0.28,f=-1.8!) USER MOD Single : A 45 GLN : amide:sc= -3.53! K(o=-3.5!,f=-2) USER MOD Single : A 49 HIS : no HE2:sc= 0.0915 K(o=0.092,f=-1.9) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -3.4! C(o=-3.4!,f=-2.8!) USER MOD Single : A 60 GLN : amide:sc= -0.0469 K(o=-0.047,f=-1.7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3.9! C(o=-3.9!,f=-3.6!) USER MOD Single : A 75 ASN : amide:sc= -0.0549 X(o=-0.055,f=-0.42) USER MOD Single : A 77 SER OG : rot 180:sc= 0.098 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -0.206 -10.243 -9.762 1.00 0.00 N ATOM 60 CA GLY A 7 -0.986 -9.317 -8.961 1.00 0.00 C ATOM 61 C GLY A 7 -1.012 -7.921 -9.549 1.00 0.00 C ATOM 62 O GLY A 7 -1.567 -7.703 -10.626 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.007 -9.689 -8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.573 -9.276 -7.953 1.00 0.00 H new ATOM 66 N ARG A 8 -0.410 -6.971 -8.840 1.00 0.00 N ATOM 67 CA ARG A 8 -0.369 -5.587 -9.297 1.00 0.00 C ATOM 68 C ARG A 8 0.945 -4.922 -8.899 1.00 0.00 C ATOM 69 O ARG A 8 1.188 -4.661 -7.721 1.00 0.00 O ATOM 70 CB ARG A 8 -1.547 -4.801 -8.718 1.00 0.00 C ATOM 71 CG ARG A 8 -1.466 -3.305 -8.976 1.00 0.00 C ATOM 72 CD ARG A 8 -2.706 -2.585 -8.470 1.00 0.00 C ATOM 73 NE ARG A 8 -2.575 -2.187 -7.071 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.269 -1.197 -6.520 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.138 -0.508 -7.247 1.00 0.00 N ATOM 76 NH2 ARG A 8 -3.094 -0.895 -5.240 1.00 0.00 N ATOM 0 H ARG A 8 0.056 -7.135 -7.947 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.441 -5.588 -10.385 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.474 -5.185 -9.144 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.595 -4.974 -7.643 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.582 -2.897 -8.486 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.350 -3.125 -10.045 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.888 -1.702 -9.083 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.574 -3.235 -8.582 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.914 -2.697 -6.485 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.275 -0.738 -8.231 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.670 0.252 -6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.426 -1.423 -4.678 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.627 -0.135 -4.818 1.00 0.00 H new ATOM 90 N MET A 9 1.790 -4.652 -9.888 1.00 0.00 N ATOM 91 CA MET A 9 3.079 -4.017 -9.641 1.00 0.00 C ATOM 92 C MET A 9 2.973 -2.501 -9.772 1.00 0.00 C ATOM 93 O MET A 9 2.752 -1.976 -10.864 1.00 0.00 O ATOM 94 CB MET A 9 4.131 -4.552 -10.614 1.00 0.00 C ATOM 95 CG MET A 9 4.455 -6.023 -10.409 1.00 0.00 C ATOM 96 SD MET A 9 6.151 -6.430 -10.866 1.00 0.00 S ATOM 97 CE MET A 9 6.628 -7.481 -9.497 1.00 0.00 C ATOM 0 H MET A 9 1.605 -4.863 -10.869 1.00 0.00 H new ATOM 0 HA MET A 9 3.383 -4.255 -8.622 1.00 0.00 H new ATOM 0 HB2 MET A 9 3.778 -4.405 -11.635 1.00 0.00 H new ATOM 0 HB3 MET A 9 5.045 -3.968 -10.505 1.00 0.00 H new ATOM 0 HG2 MET A 9 4.292 -6.285 -9.364 1.00 0.00 H new ATOM 0 HG3 MET A 9 3.768 -6.628 -11.000 1.00 0.00 H new ATOM 0 HE1 MET A 9 7.710 -7.612 -9.499 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.320 -7.019 -8.559 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.145 -8.453 -9.599 1.00 0.00 H new ATOM 107 N VAL A 10 3.131 -1.801 -8.653 1.00 0.00 N ATOM 108 CA VAL A 10 3.053 -0.345 -8.644 1.00 0.00 C ATOM 109 C VAL A 10 4.438 0.278 -8.510 1.00 0.00 C ATOM 110 O VAL A 10 5.208 -0.080 -7.620 1.00 0.00 O ATOM 111 CB VAL A 10 2.161 0.162 -7.495 1.00 0.00 C ATOM 112 CG1 VAL A 10 2.082 1.681 -7.511 1.00 0.00 C ATOM 113 CG2 VAL A 10 0.773 -0.454 -7.587 1.00 0.00 C ATOM 0 H VAL A 10 3.314 -2.219 -7.741 1.00 0.00 H new ATOM 0 HA VAL A 10 2.613 -0.045 -9.595 1.00 0.00 H new ATOM 0 HB VAL A 10 2.607 -0.144 -6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.448 2.021 -6.692 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.082 2.099 -7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.660 2.013 -8.459 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.156 -0.085 -6.768 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.316 -0.180 -8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.851 -1.539 -7.522 1.00 0.00 H new ATOM 123 N GLY A 11 4.748 1.214 -9.402 1.00 0.00 N ATOM 124 CA GLY A 11 6.041 1.873 -9.367 1.00 0.00 C ATOM 125 C GLY A 11 6.011 3.165 -8.575 1.00 0.00 C ATOM 126 O GLY A 11 5.003 3.872 -8.565 1.00 0.00 O ATOM 0 H GLY A 11 4.127 1.528 -10.148 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.777 1.199 -8.929 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.367 2.082 -10.386 1.00 0.00 H new ATOM 130 N ILE A 12 7.118 3.474 -7.907 1.00 0.00 N ATOM 131 CA ILE A 12 7.214 4.689 -7.109 1.00 0.00 C ATOM 132 C ILE A 12 8.568 5.365 -7.296 1.00 0.00 C ATOM 133 O ILE A 12 9.595 4.696 -7.419 1.00 0.00 O ATOM 134 CB ILE A 12 7.001 4.397 -5.611 1.00 0.00 C ATOM 135 CG1 ILE A 12 5.745 3.548 -5.409 1.00 0.00 C ATOM 136 CG2 ILE A 12 6.901 5.697 -4.827 1.00 0.00 C ATOM 137 CD1 ILE A 12 5.375 3.353 -3.955 1.00 0.00 C ATOM 0 H ILE A 12 7.961 2.899 -7.903 1.00 0.00 H new ATOM 0 HA ILE A 12 6.426 5.357 -7.457 1.00 0.00 H new ATOM 0 HB ILE A 12 7.859 3.837 -5.239 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.910 4.019 -5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.897 2.572 -5.871 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.751 5.474 -3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.821 6.268 -4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.059 6.282 -5.198 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.475 2.742 -3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.193 2.854 -3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.190 4.323 -3.493 1.00 0.00 H new ATOM 149 N ARG A 13 8.563 6.694 -7.314 1.00 0.00 N ATOM 150 CA ARG A 13 9.791 7.460 -7.485 1.00 0.00 C ATOM 151 C ARG A 13 10.207 8.120 -6.174 1.00 0.00 C ATOM 152 O ARG A 13 10.424 9.331 -6.117 1.00 0.00 O ATOM 153 CB ARG A 13 9.606 8.524 -8.569 1.00 0.00 C ATOM 154 CG ARG A 13 8.454 9.477 -8.296 1.00 0.00 C ATOM 155 CD ARG A 13 8.102 10.293 -9.530 1.00 0.00 C ATOM 156 NE ARG A 13 8.934 11.487 -9.652 1.00 0.00 N ATOM 157 CZ ARG A 13 10.139 11.490 -10.212 1.00 0.00 C ATOM 158 NH1 ARG A 13 10.649 10.367 -10.699 1.00 0.00 N ATOM 159 NH2 ARG A 13 10.835 12.617 -10.285 1.00 0.00 N ATOM 0 H ARG A 13 7.722 7.262 -7.212 1.00 0.00 H new ATOM 0 HA ARG A 13 10.579 6.772 -7.791 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.527 9.099 -8.663 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.439 8.030 -9.526 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.581 8.911 -7.972 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.721 10.147 -7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.222 9.675 -10.420 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.053 10.585 -9.484 1.00 0.00 H new ATOM 0 HE ARG A 13 8.570 12.367 -9.287 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.116 9.499 -10.644 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.574 10.371 -11.129 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.445 13.482 -9.911 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.760 12.618 -10.715 1.00 0.00 H new ATOM 173 N LYS A 14 10.317 7.317 -5.122 1.00 0.00 N ATOM 174 CA LYS A 14 10.708 7.821 -3.811 1.00 0.00 C ATOM 175 C LYS A 14 12.226 7.825 -3.660 1.00 0.00 C ATOM 176 O LYS A 14 12.949 7.351 -4.536 1.00 0.00 O ATOM 177 CB LYS A 14 10.077 6.971 -2.706 1.00 0.00 C ATOM 178 CG LYS A 14 10.536 5.523 -2.716 1.00 0.00 C ATOM 179 CD LYS A 14 9.644 4.649 -1.850 1.00 0.00 C ATOM 180 CE LYS A 14 9.690 5.078 -0.391 1.00 0.00 C ATOM 181 NZ LYS A 14 9.046 4.076 0.502 1.00 0.00 N ATOM 0 H LYS A 14 10.141 6.313 -5.152 1.00 0.00 H new ATOM 0 HA LYS A 14 10.349 8.846 -3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.316 7.412 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.992 7.000 -2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.533 5.147 -3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.564 5.464 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.618 4.702 -2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.959 3.609 -1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.727 5.222 -0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.189 6.039 -0.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.853 4.509 1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.153 3.755 0.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.682 3.263 0.627 1.00 0.00 H new ATOM 195 N THR A 15 12.703 8.363 -2.542 1.00 0.00 N ATOM 196 CA THR A 15 14.134 8.429 -2.276 1.00 0.00 C ATOM 197 C THR A 15 14.465 7.856 -0.902 1.00 0.00 C ATOM 198 O THR A 15 13.660 7.935 0.024 1.00 0.00 O ATOM 199 CB THR A 15 14.655 9.877 -2.354 1.00 0.00 C ATOM 200 OG1 THR A 15 16.010 9.936 -1.895 1.00 0.00 O ATOM 201 CG2 THR A 15 13.789 10.809 -1.519 1.00 0.00 C ATOM 0 H THR A 15 12.119 8.759 -1.806 1.00 0.00 H new ATOM 0 HA THR A 15 14.625 7.832 -3.044 1.00 0.00 H new ATOM 0 HB THR A 15 14.611 10.200 -3.394 1.00 0.00 H new ATOM 0 HG1 THR A 15 16.334 10.859 -1.949 1.00 0.00 H new ATOM 0 HG21 THR A 15 14.176 11.826 -1.589 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.765 10.784 -1.891 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.805 10.486 -0.478 1.00 0.00 H new ATOM 209 N ALA A 16 15.656 7.279 -0.779 1.00 0.00 N ATOM 210 CA ALA A 16 16.095 6.695 0.483 1.00 0.00 C ATOM 211 C ALA A 16 15.757 7.608 1.657 1.00 0.00 C ATOM 212 O ALA A 16 16.242 8.735 1.739 1.00 0.00 O ATOM 213 CB ALA A 16 17.589 6.414 0.443 1.00 0.00 C ATOM 0 H ALA A 16 16.334 7.203 -1.537 1.00 0.00 H new ATOM 0 HA ALA A 16 15.564 5.754 0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.903 5.978 1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.807 5.717 -0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.130 7.345 0.275 1.00 0.00 H new ATOM 219 N GLY A 17 14.921 7.113 2.565 1.00 0.00 N ATOM 220 CA GLY A 17 14.532 7.897 3.722 1.00 0.00 C ATOM 221 C GLY A 17 13.078 8.323 3.671 1.00 0.00 C ATOM 222 O GLY A 17 12.320 8.077 4.609 1.00 0.00 O ATOM 0 H GLY A 17 14.506 6.182 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.705 7.314 4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.165 8.782 3.787 1.00 0.00 H new ATOM 226 N GLU A 18 12.689 8.966 2.574 1.00 0.00 N ATOM 227 CA GLU A 18 11.316 9.429 2.408 1.00 0.00 C ATOM 228 C GLU A 18 10.323 8.324 2.756 1.00 0.00 C ATOM 229 O GLU A 18 10.345 7.244 2.164 1.00 0.00 O ATOM 230 CB GLU A 18 11.085 9.903 0.971 1.00 0.00 C ATOM 231 CG GLU A 18 11.472 11.354 0.740 1.00 0.00 C ATOM 232 CD GLU A 18 12.675 11.775 1.561 1.00 0.00 C ATOM 233 OE1 GLU A 18 13.723 11.101 1.467 1.00 0.00 O ATOM 234 OE2 GLU A 18 12.570 12.777 2.299 1.00 0.00 O ATOM 0 H GLU A 18 13.304 9.178 1.788 1.00 0.00 H new ATOM 0 HA GLU A 18 11.157 10.265 3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.657 9.271 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.033 9.772 0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.688 11.504 -0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.626 11.995 0.987 1.00 0.00 H new ATOM 241 N HIS A 19 9.452 8.601 3.721 1.00 0.00 N ATOM 242 CA HIS A 19 8.450 7.632 4.149 1.00 0.00 C ATOM 243 C HIS A 19 7.125 7.867 3.432 1.00 0.00 C ATOM 244 O HIS A 19 6.998 8.791 2.627 1.00 0.00 O ATOM 245 CB HIS A 19 8.246 7.712 5.662 1.00 0.00 C ATOM 246 CG HIS A 19 9.479 8.111 6.413 1.00 0.00 C ATOM 247 ND1 HIS A 19 10.203 7.232 7.192 1.00 0.00 N ATOM 248 CD2 HIS A 19 10.116 9.301 6.500 1.00 0.00 C ATOM 249 CE1 HIS A 19 11.231 7.866 7.726 1.00 0.00 C ATOM 250 NE2 HIS A 19 11.202 9.123 7.322 1.00 0.00 N ATOM 0 H HIS A 19 9.420 9.489 4.222 1.00 0.00 H new ATOM 0 HA HIS A 19 8.810 6.636 3.891 1.00 0.00 H new ATOM 0 HB2 HIS A 19 7.453 8.428 5.876 1.00 0.00 H new ATOM 0 HB3 HIS A 19 7.907 6.742 6.026 1.00 0.00 H new ATOM 0 HD2 HIS A 19 9.825 10.220 6.014 1.00 0.00 H new ATOM 0 HE1 HIS A 19 11.970 7.430 8.382 1.00 0.00 H new ATOM 0 HE2 HIS A 19 11.876 9.844 7.579 1.00 0.00 H new ATOM 259 N LEU A 20 6.140 7.026 3.728 1.00 0.00 N ATOM 260 CA LEU A 20 4.823 7.143 3.110 1.00 0.00 C ATOM 261 C LEU A 20 3.789 7.631 4.120 1.00 0.00 C ATOM 262 O LEU A 20 3.255 8.732 3.993 1.00 0.00 O ATOM 263 CB LEU A 20 4.389 5.795 2.531 1.00 0.00 C ATOM 264 CG LEU A 20 5.465 5.010 1.780 1.00 0.00 C ATOM 265 CD1 LEU A 20 4.831 4.074 0.762 1.00 0.00 C ATOM 266 CD2 LEU A 20 6.441 5.959 1.099 1.00 0.00 C ATOM 0 H LEU A 20 6.228 6.256 4.391 1.00 0.00 H new ATOM 0 HA LEU A 20 4.890 7.874 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.017 5.175 3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.552 5.966 1.853 1.00 0.00 H new ATOM 0 HG LEU A 20 6.018 4.408 2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.612 3.524 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.174 3.371 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.252 4.655 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.200 5.383 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.902 6.588 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.921 6.587 1.849 1.00 0.00 H new ATOM 278 N GLY A 21 3.514 6.805 5.125 1.00 0.00 N ATOM 279 CA GLY A 21 2.547 7.171 6.143 1.00 0.00 C ATOM 280 C GLY A 21 1.287 6.332 6.074 1.00 0.00 C ATOM 281 O GLY A 21 0.197 6.854 5.842 1.00 0.00 O ATOM 0 H GLY A 21 3.944 5.889 5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.001 7.059 7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.286 8.223 6.030 1.00 0.00 H new ATOM 285 N VAL A 22 1.436 5.026 6.276 1.00 0.00 N ATOM 286 CA VAL A 22 0.300 4.113 6.235 1.00 0.00 C ATOM 287 C VAL A 22 0.398 3.066 7.339 1.00 0.00 C ATOM 288 O VAL A 22 1.480 2.793 7.859 1.00 0.00 O ATOM 289 CB VAL A 22 0.203 3.399 4.874 1.00 0.00 C ATOM 290 CG1 VAL A 22 -0.179 4.385 3.780 1.00 0.00 C ATOM 291 CG2 VAL A 22 1.514 2.704 4.542 1.00 0.00 C ATOM 0 H VAL A 22 2.331 4.577 6.469 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.596 4.715 6.386 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.578 2.641 4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.243 3.863 2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.145 4.832 4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.577 5.168 3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.427 2.205 3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.316 3.441 4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.740 1.967 5.313 1.00 0.00 H new ATOM 301 N THR A 23 -0.742 2.480 7.694 1.00 0.00 N ATOM 302 CA THR A 23 -0.786 1.463 8.737 1.00 0.00 C ATOM 303 C THR A 23 -1.325 0.144 8.196 1.00 0.00 C ATOM 304 O THR A 23 -2.405 0.097 7.607 1.00 0.00 O ATOM 305 CB THR A 23 -1.659 1.913 9.924 1.00 0.00 C ATOM 306 OG1 THR A 23 -2.891 2.465 9.444 1.00 0.00 O ATOM 307 CG2 THR A 23 -0.931 2.946 10.771 1.00 0.00 C ATOM 0 H THR A 23 -1.647 2.693 7.274 1.00 0.00 H new ATOM 0 HA THR A 23 0.238 1.320 9.082 1.00 0.00 H new ATOM 0 HB THR A 23 -1.868 1.041 10.544 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.935 3.417 9.674 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.567 3.248 11.603 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.008 2.514 11.158 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.695 3.817 10.160 1.00 0.00 H new ATOM 315 N PHE A 24 -0.566 -0.928 8.401 1.00 0.00 N ATOM 316 CA PHE A 24 -0.968 -2.249 7.933 1.00 0.00 C ATOM 317 C PHE A 24 -1.378 -3.139 9.103 1.00 0.00 C ATOM 318 O PHE A 24 -0.754 -3.114 10.164 1.00 0.00 O ATOM 319 CB PHE A 24 0.173 -2.906 7.153 1.00 0.00 C ATOM 320 CG PHE A 24 0.627 -2.106 5.966 1.00 0.00 C ATOM 321 CD1 PHE A 24 0.022 -2.271 4.730 1.00 0.00 C ATOM 322 CD2 PHE A 24 1.657 -1.188 6.085 1.00 0.00 C ATOM 323 CE1 PHE A 24 0.438 -1.537 3.636 1.00 0.00 C ATOM 324 CE2 PHE A 24 2.078 -0.450 4.995 1.00 0.00 C ATOM 325 CZ PHE A 24 1.466 -0.624 3.769 1.00 0.00 C ATOM 0 H PHE A 24 0.330 -0.907 8.888 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.827 -2.128 7.273 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.019 -3.059 7.823 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.149 -3.891 6.815 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.784 -2.982 4.621 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.137 -1.047 7.042 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.040 -1.677 2.678 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.884 0.261 5.102 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.791 -0.047 2.916 1.00 0.00 H new ATOM 335 N ARG A 25 -2.431 -3.924 8.900 1.00 0.00 N ATOM 336 CA ARG A 25 -2.926 -4.821 9.938 1.00 0.00 C ATOM 337 C ARG A 25 -2.774 -6.279 9.515 1.00 0.00 C ATOM 338 O ARG A 25 -2.777 -6.594 8.325 1.00 0.00 O ATOM 339 CB ARG A 25 -4.394 -4.518 10.245 1.00 0.00 C ATOM 340 CG ARG A 25 -5.371 -5.323 9.404 1.00 0.00 C ATOM 341 CD ARG A 25 -6.661 -4.555 9.161 1.00 0.00 C ATOM 342 NE ARG A 25 -7.701 -5.402 8.584 1.00 0.00 N ATOM 343 CZ ARG A 25 -8.826 -4.929 8.059 1.00 0.00 C ATOM 344 NH1 ARG A 25 -9.054 -3.623 8.038 1.00 0.00 N ATOM 345 NH2 ARG A 25 -9.726 -5.764 7.554 1.00 0.00 N ATOM 0 H ARG A 25 -2.958 -3.957 8.027 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.332 -4.658 10.837 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.585 -4.718 11.299 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.578 -3.456 10.084 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.910 -5.574 8.449 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.596 -6.264 9.906 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.016 -4.135 10.102 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.464 -3.717 8.493 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.556 -6.412 8.584 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.365 -2.979 8.426 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.919 -3.263 7.634 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.554 -6.769 7.569 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.590 -5.400 7.151 1.00 0.00 H new ATOM 359 N VAL A 26 -2.642 -7.164 10.497 1.00 0.00 N ATOM 360 CA VAL A 26 -2.489 -8.589 10.227 1.00 0.00 C ATOM 361 C VAL A 26 -3.738 -9.362 10.636 1.00 0.00 C ATOM 362 O VAL A 26 -4.058 -9.462 11.820 1.00 0.00 O ATOM 363 CB VAL A 26 -1.272 -9.173 10.967 1.00 0.00 C ATOM 364 CG1 VAL A 26 -0.991 -10.592 10.497 1.00 0.00 C ATOM 365 CG2 VAL A 26 -0.052 -8.286 10.769 1.00 0.00 C ATOM 0 H VAL A 26 -2.638 -6.920 11.487 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.335 -8.693 9.153 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.499 -9.207 12.033 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.127 -10.988 11.031 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.860 -11.220 10.696 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.784 -10.587 9.427 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.799 -8.714 11.299 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.180 -8.218 9.706 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.259 -7.290 11.160 1.00 0.00 H new ATOM 375 N GLU A 27 -4.439 -9.908 9.647 1.00 0.00 N ATOM 376 CA GLU A 27 -5.654 -10.673 9.905 1.00 0.00 C ATOM 377 C GLU A 27 -5.416 -12.164 9.681 1.00 0.00 C ATOM 378 O GLU A 27 -6.265 -12.863 9.129 1.00 0.00 O ATOM 379 CB GLU A 27 -6.791 -10.186 9.005 1.00 0.00 C ATOM 380 CG GLU A 27 -6.721 -8.702 8.686 1.00 0.00 C ATOM 381 CD GLU A 27 -5.762 -8.393 7.552 1.00 0.00 C ATOM 382 OE1 GLU A 27 -6.193 -8.447 6.381 1.00 0.00 O ATOM 383 OE2 GLU A 27 -4.583 -8.098 7.836 1.00 0.00 O ATOM 0 H GLU A 27 -4.187 -9.835 8.661 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.935 -10.520 10.947 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.773 -10.751 8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.744 -10.401 9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.716 -8.343 8.423 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.411 -8.157 9.578 1.00 0.00 H new ATOM 390 N GLY A 28 -4.253 -12.643 10.112 1.00 0.00 N ATOM 391 CA GLY A 28 -3.924 -14.047 9.949 1.00 0.00 C ATOM 392 C GLY A 28 -2.540 -14.253 9.366 1.00 0.00 C ATOM 393 O GLY A 28 -1.562 -14.385 10.100 1.00 0.00 O ATOM 0 H GLY A 28 -3.533 -12.084 10.571 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.986 -14.546 10.916 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.662 -14.517 9.300 1.00 0.00 H new ATOM 397 N GLY A 29 -2.458 -14.283 8.039 1.00 0.00 N ATOM 398 CA GLY A 29 -1.179 -14.477 7.379 1.00 0.00 C ATOM 399 C GLY A 29 -0.989 -13.546 6.198 1.00 0.00 C ATOM 400 O GLY A 29 -0.299 -13.885 5.238 1.00 0.00 O ATOM 0 H GLY A 29 -3.253 -14.177 7.409 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.375 -14.317 8.097 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.102 -15.510 7.040 1.00 0.00 H new ATOM 404 N GLU A 30 -1.603 -12.369 6.270 1.00 0.00 N ATOM 405 CA GLU A 30 -1.499 -11.388 5.196 1.00 0.00 C ATOM 406 C GLU A 30 -1.400 -9.973 5.760 1.00 0.00 C ATOM 407 O GLU A 30 -1.641 -9.747 6.947 1.00 0.00 O ATOM 408 CB GLU A 30 -2.705 -11.492 4.261 1.00 0.00 C ATOM 409 CG GLU A 30 -4.013 -11.060 4.902 1.00 0.00 C ATOM 410 CD GLU A 30 -4.295 -9.582 4.711 1.00 0.00 C ATOM 411 OE1 GLU A 30 -3.603 -8.759 5.346 1.00 0.00 O ATOM 412 OE2 GLU A 30 -5.209 -9.249 3.928 1.00 0.00 O ATOM 0 H GLU A 30 -2.177 -12.072 7.059 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.591 -11.601 4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.523 -10.879 3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.801 -12.523 3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.831 -11.640 4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.983 -11.286 5.968 1.00 0.00 H new ATOM 419 N LEU A 31 -1.044 -9.024 4.902 1.00 0.00 N ATOM 420 CA LEU A 31 -0.912 -7.631 5.313 1.00 0.00 C ATOM 421 C LEU A 31 -1.800 -6.726 4.464 1.00 0.00 C ATOM 422 O LEU A 31 -1.663 -6.673 3.242 1.00 0.00 O ATOM 423 CB LEU A 31 0.546 -7.182 5.203 1.00 0.00 C ATOM 424 CG LEU A 31 1.400 -7.361 6.458 1.00 0.00 C ATOM 425 CD1 LEU A 31 2.870 -7.132 6.141 1.00 0.00 C ATOM 426 CD2 LEU A 31 0.937 -6.417 7.558 1.00 0.00 C ATOM 0 H LEU A 31 -0.841 -9.194 3.917 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.232 -7.553 6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.014 -7.733 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.561 -6.128 4.925 1.00 0.00 H new ATOM 0 HG LEU A 31 1.281 -8.385 6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.462 -7.264 7.047 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.196 -7.849 5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.007 -6.119 5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.556 -6.559 8.444 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.026 -5.386 7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.103 -6.629 7.805 1.00 0.00 H new ATOM 438 N VAL A 32 -2.710 -6.014 5.121 1.00 0.00 N ATOM 439 CA VAL A 32 -3.619 -5.109 4.428 1.00 0.00 C ATOM 440 C VAL A 32 -3.447 -3.676 4.919 1.00 0.00 C ATOM 441 O VAL A 32 -3.099 -3.443 6.077 1.00 0.00 O ATOM 442 CB VAL A 32 -5.087 -5.533 4.619 1.00 0.00 C ATOM 443 CG1 VAL A 32 -5.535 -5.278 6.050 1.00 0.00 C ATOM 444 CG2 VAL A 32 -5.985 -4.801 3.633 1.00 0.00 C ATOM 0 H VAL A 32 -2.837 -6.046 6.133 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.369 -5.159 3.368 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.166 -6.602 4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.575 -5.584 6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.910 -5.851 6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.442 -4.216 6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.019 -5.113 3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.903 -3.726 3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.677 -5.039 2.615 1.00 0.00 H new ATOM 454 N ILE A 33 -3.694 -2.718 4.031 1.00 0.00 N ATOM 455 CA ILE A 33 -3.568 -1.308 4.375 1.00 0.00 C ATOM 456 C ILE A 33 -4.712 -0.857 5.277 1.00 0.00 C ATOM 457 O ILE A 33 -5.785 -0.489 4.799 1.00 0.00 O ATOM 458 CB ILE A 33 -3.544 -0.422 3.115 1.00 0.00 C ATOM 459 CG1 ILE A 33 -2.213 -0.582 2.378 1.00 0.00 C ATOM 460 CG2 ILE A 33 -3.777 1.035 3.488 1.00 0.00 C ATOM 461 CD1 ILE A 33 -2.146 0.187 1.077 1.00 0.00 C ATOM 0 H ILE A 33 -3.982 -2.893 3.068 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.623 -1.196 4.907 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.347 -0.740 2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.404 -0.250 3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.044 -1.640 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.757 1.649 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.747 1.135 3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.994 1.366 4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.174 0.027 0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.933 -0.161 0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.283 1.250 1.275 1.00 0.00 H new ATOM 473 N ALA A 34 -4.475 -0.888 6.584 1.00 0.00 N ATOM 474 CA ALA A 34 -5.484 -0.479 7.554 1.00 0.00 C ATOM 475 C ALA A 34 -5.941 0.953 7.299 1.00 0.00 C ATOM 476 O ALA A 34 -7.097 1.193 6.949 1.00 0.00 O ATOM 477 CB ALA A 34 -4.943 -0.619 8.969 1.00 0.00 C ATOM 0 H ALA A 34 -3.593 -1.192 6.996 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.348 -1.134 7.441 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.707 -0.310 9.683 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.673 -1.659 9.154 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.061 0.011 9.086 1.00 0.00 H new ATOM 483 N ARG A 35 -5.028 1.902 7.478 1.00 0.00 N ATOM 484 CA ARG A 35 -5.339 3.311 7.270 1.00 0.00 C ATOM 485 C ARG A 35 -4.190 4.022 6.561 1.00 0.00 C ATOM 486 O ARG A 35 -3.065 3.522 6.526 1.00 0.00 O ATOM 487 CB ARG A 35 -5.628 3.994 8.608 1.00 0.00 C ATOM 488 CG ARG A 35 -5.284 5.475 8.622 1.00 0.00 C ATOM 489 CD ARG A 35 -5.541 6.093 9.987 1.00 0.00 C ATOM 490 NE ARG A 35 -5.829 7.522 9.895 1.00 0.00 N ATOM 491 CZ ARG A 35 -6.104 8.285 10.947 1.00 0.00 C ATOM 492 NH1 ARG A 35 -6.128 7.759 12.164 1.00 0.00 N ATOM 493 NH2 ARG A 35 -6.355 9.578 10.783 1.00 0.00 N ATOM 0 H ARG A 35 -4.067 1.721 7.767 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.226 3.373 6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.684 3.873 8.848 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.063 3.491 9.393 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.237 5.609 8.352 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.876 5.994 7.869 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.379 5.584 10.463 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.670 5.939 10.625 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.818 7.958 8.973 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.935 6.766 12.294 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.339 8.347 12.970 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.337 9.987 9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.566 10.163 11.591 1.00 0.00 H new ATOM 507 N ILE A 36 -4.481 5.189 5.997 1.00 0.00 N ATOM 508 CA ILE A 36 -3.473 5.969 5.290 1.00 0.00 C ATOM 509 C ILE A 36 -3.432 7.405 5.799 1.00 0.00 C ATOM 510 O ILE A 36 -4.321 8.205 5.506 1.00 0.00 O ATOM 511 CB ILE A 36 -3.733 5.981 3.772 1.00 0.00 C ATOM 512 CG1 ILE A 36 -3.623 4.565 3.202 1.00 0.00 C ATOM 513 CG2 ILE A 36 -2.757 6.916 3.075 1.00 0.00 C ATOM 514 CD1 ILE A 36 -4.402 4.367 1.921 1.00 0.00 C ATOM 0 H ILE A 36 -5.407 5.616 6.016 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.512 5.491 5.482 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.745 6.346 3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.573 4.337 3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.978 3.853 3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.953 6.914 2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.880 7.927 3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.737 6.579 3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.278 3.341 1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.459 4.563 2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.032 5.054 1.160 1.00 0.00 H new ATOM 526 N LEU A 37 -2.393 7.727 6.562 1.00 0.00 N ATOM 527 CA LEU A 37 -2.234 9.069 7.111 1.00 0.00 C ATOM 528 C LEU A 37 -2.437 10.127 6.031 1.00 0.00 C ATOM 529 O LEU A 37 -2.372 9.831 4.838 1.00 0.00 O ATOM 530 CB LEU A 37 -0.847 9.224 7.738 1.00 0.00 C ATOM 531 CG LEU A 37 -0.724 8.810 9.205 1.00 0.00 C ATOM 532 CD1 LEU A 37 -0.503 7.310 9.319 1.00 0.00 C ATOM 533 CD2 LEU A 37 0.409 9.570 9.880 1.00 0.00 C ATOM 0 H LEU A 37 -1.648 7.077 6.814 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.992 9.212 7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.139 8.636 7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.544 10.267 7.649 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.656 9.059 9.713 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.418 7.034 10.370 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.346 6.783 8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.414 7.037 8.796 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.482 9.263 10.923 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.348 9.352 9.371 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.210 10.640 9.830 1.00 0.00 H new ATOM 545 N HIS A 38 -2.681 11.362 6.458 1.00 0.00 N ATOM 546 CA HIS A 38 -2.890 12.466 5.527 1.00 0.00 C ATOM 547 C HIS A 38 -1.571 13.160 5.202 1.00 0.00 C ATOM 548 O HIS A 38 -0.743 13.385 6.083 1.00 0.00 O ATOM 549 CB HIS A 38 -3.880 13.473 6.113 1.00 0.00 C ATOM 550 CG HIS A 38 -3.658 13.756 7.567 1.00 0.00 C ATOM 551 ND1 HIS A 38 -2.768 14.706 8.022 1.00 0.00 N ATOM 552 CD2 HIS A 38 -4.217 13.207 8.671 1.00 0.00 C ATOM 553 CE1 HIS A 38 -2.788 14.728 9.342 1.00 0.00 C ATOM 554 NE2 HIS A 38 -3.660 13.829 9.761 1.00 0.00 N ATOM 0 H HIS A 38 -2.739 11.624 7.442 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.302 12.058 4.604 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.809 14.407 5.555 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.893 13.096 5.975 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.962 12.425 8.691 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.192 15.372 9.972 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.883 13.629 10.736 1.00 0.00 H new ATOM 563 N GLY A 39 -1.383 13.497 3.929 1.00 0.00 N ATOM 564 CA GLY A 39 -0.163 14.161 3.510 1.00 0.00 C ATOM 565 C GLY A 39 1.009 13.206 3.400 1.00 0.00 C ATOM 566 O GLY A 39 1.935 13.252 4.209 1.00 0.00 O ATOM 0 H GLY A 39 -2.054 13.322 3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.328 14.642 2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.081 14.950 4.222 1.00 0.00 H new ATOM 570 N GLY A 40 0.968 12.335 2.396 1.00 0.00 N ATOM 571 CA GLY A 40 2.039 11.375 2.203 1.00 0.00 C ATOM 572 C GLY A 40 2.066 10.812 0.796 1.00 0.00 C ATOM 573 O GLY A 40 1.359 11.296 -0.087 1.00 0.00 O ATOM 0 H GLY A 40 0.212 12.277 1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.995 11.853 2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.924 10.558 2.916 1.00 0.00 H new ATOM 577 N MET A 41 2.884 9.786 0.586 1.00 0.00 N ATOM 578 CA MET A 41 3.001 9.157 -0.725 1.00 0.00 C ATOM 579 C MET A 41 1.729 8.391 -1.074 1.00 0.00 C ATOM 580 O MET A 41 0.975 8.791 -1.962 1.00 0.00 O ATOM 581 CB MET A 41 4.203 8.212 -0.756 1.00 0.00 C ATOM 582 CG MET A 41 4.443 7.578 -2.116 1.00 0.00 C ATOM 583 SD MET A 41 5.261 8.698 -3.270 1.00 0.00 S ATOM 584 CE MET A 41 6.978 8.441 -2.831 1.00 0.00 C ATOM 0 H MET A 41 3.476 9.372 1.307 1.00 0.00 H new ATOM 0 HA MET A 41 3.147 9.943 -1.466 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.095 8.763 -0.459 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.054 7.424 -0.018 1.00 0.00 H new ATOM 0 HG2 MET A 41 5.051 6.682 -1.993 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.489 7.261 -2.538 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.567 8.297 -3.736 1.00 0.00 H new ATOM 0 HE2 MET A 41 7.350 9.312 -2.291 1.00 0.00 H new ATOM 0 HE3 MET A 41 7.063 7.558 -2.198 1.00 0.00 H new ATOM 594 N VAL A 42 1.495 7.287 -0.371 1.00 0.00 N ATOM 595 CA VAL A 42 0.314 6.466 -0.607 1.00 0.00 C ATOM 596 C VAL A 42 -0.962 7.293 -0.494 1.00 0.00 C ATOM 597 O VAL A 42 -1.921 7.078 -1.234 1.00 0.00 O ATOM 598 CB VAL A 42 0.241 5.290 0.385 1.00 0.00 C ATOM 599 CG1 VAL A 42 -1.031 4.484 0.166 1.00 0.00 C ATOM 600 CG2 VAL A 42 1.471 4.406 0.255 1.00 0.00 C ATOM 0 H VAL A 42 2.108 6.941 0.367 1.00 0.00 H new ATOM 0 HA VAL A 42 0.399 6.072 -1.620 1.00 0.00 H new ATOM 0 HB VAL A 42 0.217 5.693 1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.065 3.658 0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.899 5.126 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.042 4.090 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.402 3.580 0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.529 4.010 -0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.365 4.993 0.467 1.00 0.00 H new ATOM 610 N ALA A 43 -0.966 8.240 0.438 1.00 0.00 N ATOM 611 CA ALA A 43 -2.123 9.102 0.647 1.00 0.00 C ATOM 612 C ALA A 43 -2.512 9.819 -0.640 1.00 0.00 C ATOM 613 O ALA A 43 -3.614 9.633 -1.156 1.00 0.00 O ATOM 614 CB ALA A 43 -1.838 10.110 1.750 1.00 0.00 C ATOM 0 H ALA A 43 -0.181 8.430 1.061 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.962 8.476 0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.711 10.747 1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.616 9.582 2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.983 10.725 1.469 1.00 0.00 H new ATOM 620 N GLN A 44 -1.602 10.640 -1.154 1.00 0.00 N ATOM 621 CA GLN A 44 -1.853 11.387 -2.381 1.00 0.00 C ATOM 622 C GLN A 44 -2.069 10.442 -3.558 1.00 0.00 C ATOM 623 O GLN A 44 -3.088 10.514 -4.244 1.00 0.00 O ATOM 624 CB GLN A 44 -0.685 12.330 -2.676 1.00 0.00 C ATOM 625 CG GLN A 44 -0.389 13.304 -1.547 1.00 0.00 C ATOM 626 CD GLN A 44 -1.468 14.357 -1.387 1.00 0.00 C ATOM 627 OE1 GLN A 44 -2.609 14.047 -1.044 1.00 0.00 O ATOM 628 NE2 GLN A 44 -1.111 15.612 -1.635 1.00 0.00 N ATOM 0 H GLN A 44 -0.684 10.805 -0.740 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.759 11.976 -2.240 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.208 11.738 -2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.904 12.894 -3.583 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.285 12.751 -0.613 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.566 13.794 -1.736 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.154 15.824 -1.917 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.794 16.364 -1.544 1.00 0.00 H new ATOM 637 N GLN A 45 -1.103 9.558 -3.786 1.00 0.00 N ATOM 638 CA GLN A 45 -1.188 8.599 -4.882 1.00 0.00 C ATOM 639 C GLN A 45 -2.552 7.917 -4.903 1.00 0.00 C ATOM 640 O GLN A 45 -2.978 7.329 -3.910 1.00 0.00 O ATOM 641 CB GLN A 45 -0.081 7.551 -4.757 1.00 0.00 C ATOM 642 CG GLN A 45 1.209 7.942 -5.458 1.00 0.00 C ATOM 643 CD GLN A 45 2.387 7.088 -5.032 1.00 0.00 C ATOM 644 OE1 GLN A 45 2.215 6.030 -4.427 1.00 0.00 O ATOM 645 NE2 GLN A 45 3.594 7.545 -5.345 1.00 0.00 N ATOM 0 H GLN A 45 -0.253 9.486 -3.227 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.060 9.142 -5.818 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.127 7.379 -3.701 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.437 6.607 -5.170 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.073 7.855 -6.536 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.429 8.989 -5.248 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.691 8.427 -5.847 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.424 7.014 -5.083 1.00 0.00 H new ATOM 654 N GLY A 46 -3.231 7.999 -6.043 1.00 0.00 N ATOM 655 CA GLY A 46 -4.540 7.385 -6.172 1.00 0.00 C ATOM 656 C GLY A 46 -4.462 5.947 -6.644 1.00 0.00 C ATOM 657 O GLY A 46 -5.249 5.519 -7.490 1.00 0.00 O ATOM 0 H GLY A 46 -2.898 8.479 -6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.051 7.421 -5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.141 7.963 -6.874 1.00 0.00 H new ATOM 661 N LEU A 47 -3.510 5.198 -6.098 1.00 0.00 N ATOM 662 CA LEU A 47 -3.330 3.799 -6.469 1.00 0.00 C ATOM 663 C LEU A 47 -3.646 2.879 -5.294 1.00 0.00 C ATOM 664 O LEU A 47 -4.563 2.059 -5.363 1.00 0.00 O ATOM 665 CB LEU A 47 -1.898 3.558 -6.949 1.00 0.00 C ATOM 666 CG LEU A 47 -1.292 4.651 -7.830 1.00 0.00 C ATOM 667 CD1 LEU A 47 0.222 4.671 -7.692 1.00 0.00 C ATOM 668 CD2 LEU A 47 -1.694 4.448 -9.284 1.00 0.00 C ATOM 0 H LEU A 47 -2.851 5.536 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.022 3.572 -7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.260 3.429 -6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.875 2.619 -7.502 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.679 5.614 -7.497 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.635 5.455 -8.326 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.490 4.866 -6.654 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.628 3.706 -7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.254 5.235 -9.896 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.337 3.478 -9.628 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.780 4.486 -9.370 1.00 0.00 H new ATOM 680 N LEU A 48 -2.883 3.022 -4.216 1.00 0.00 N ATOM 681 CA LEU A 48 -3.084 2.205 -3.024 1.00 0.00 C ATOM 682 C LEU A 48 -4.093 2.854 -2.083 1.00 0.00 C ATOM 683 O LEU A 48 -4.097 4.072 -1.903 1.00 0.00 O ATOM 684 CB LEU A 48 -1.754 1.994 -2.297 1.00 0.00 C ATOM 685 CG LEU A 48 -0.554 1.650 -3.180 1.00 0.00 C ATOM 686 CD1 LEU A 48 0.746 2.018 -2.480 1.00 0.00 C ATOM 687 CD2 LEU A 48 -0.566 0.173 -3.545 1.00 0.00 C ATOM 0 H LEU A 48 -2.120 3.695 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.478 1.238 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.521 2.900 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.884 1.194 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.625 2.231 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.589 1.766 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.756 3.088 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.825 1.464 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.295 -0.053 -4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.520 -0.427 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.482 -0.060 -4.087 1.00 0.00 H new ATOM 699 N HIS A 49 -4.948 2.031 -1.482 1.00 0.00 N ATOM 700 CA HIS A 49 -5.961 2.525 -0.556 1.00 0.00 C ATOM 701 C HIS A 49 -6.242 1.500 0.538 1.00 0.00 C ATOM 702 O HIS A 49 -5.607 0.447 0.595 1.00 0.00 O ATOM 703 CB HIS A 49 -7.252 2.853 -1.307 1.00 0.00 C ATOM 704 CG HIS A 49 -7.953 1.646 -1.850 1.00 0.00 C ATOM 705 ND1 HIS A 49 -8.824 0.882 -1.103 1.00 0.00 N ATOM 706 CD2 HIS A 49 -7.908 1.073 -3.076 1.00 0.00 C ATOM 707 CE1 HIS A 49 -9.283 -0.110 -1.845 1.00 0.00 C ATOM 708 NE2 HIS A 49 -8.743 -0.016 -3.047 1.00 0.00 N ATOM 0 H HIS A 49 -4.959 1.020 -1.620 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.580 3.433 -0.090 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -7.928 3.384 -0.636 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.022 3.530 -2.130 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -9.075 1.055 -0.130 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.324 1.410 -3.920 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.981 -0.869 -1.524 1.00 0.00 H new ATOM 717 N VAL A 50 -7.198 1.816 1.407 1.00 0.00 N ATOM 718 CA VAL A 50 -7.564 0.922 2.499 1.00 0.00 C ATOM 719 C VAL A 50 -8.120 -0.395 1.970 1.00 0.00 C ATOM 720 O VAL A 50 -9.204 -0.435 1.390 1.00 0.00 O ATOM 721 CB VAL A 50 -8.607 1.570 3.429 1.00 0.00 C ATOM 722 CG1 VAL A 50 -9.036 0.593 4.513 1.00 0.00 C ATOM 723 CG2 VAL A 50 -8.053 2.849 4.041 1.00 0.00 C ATOM 0 H VAL A 50 -7.732 2.684 1.376 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.654 0.726 3.066 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.486 1.828 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.773 1.068 5.160 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.475 -0.292 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.168 0.302 5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.803 3.294 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.158 2.618 4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.801 3.552 3.248 1.00 0.00 H new ATOM 733 N GLY A 51 -7.368 -1.473 2.174 1.00 0.00 N ATOM 734 CA GLY A 51 -7.803 -2.778 1.711 1.00 0.00 C ATOM 735 C GLY A 51 -6.894 -3.345 0.639 1.00 0.00 C ATOM 736 O GLY A 51 -7.325 -4.146 -0.190 1.00 0.00 O ATOM 0 H GLY A 51 -6.466 -1.466 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.838 -3.467 2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.818 -2.702 1.320 1.00 0.00 H new ATOM 740 N ASP A 52 -5.633 -2.927 0.653 1.00 0.00 N ATOM 741 CA ASP A 52 -4.660 -3.398 -0.326 1.00 0.00 C ATOM 742 C ASP A 52 -3.738 -4.449 0.285 1.00 0.00 C ATOM 743 O ASP A 52 -2.932 -4.144 1.165 1.00 0.00 O ATOM 744 CB ASP A 52 -3.835 -2.227 -0.862 1.00 0.00 C ATOM 745 CG ASP A 52 -4.593 -1.406 -1.886 1.00 0.00 C ATOM 746 OD1 ASP A 52 -5.794 -1.145 -1.666 1.00 0.00 O ATOM 747 OD2 ASP A 52 -3.985 -1.024 -2.909 1.00 0.00 O ATOM 0 H ASP A 52 -5.261 -2.263 1.332 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.205 -3.856 -1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.539 -1.585 -0.032 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.918 -2.608 -1.312 1.00 0.00 H new ATOM 752 N ILE A 53 -3.863 -5.685 -0.186 1.00 0.00 N ATOM 753 CA ILE A 53 -3.041 -6.779 0.315 1.00 0.00 C ATOM 754 C ILE A 53 -1.701 -6.837 -0.411 1.00 0.00 C ATOM 755 O ILE A 53 -1.651 -6.981 -1.633 1.00 0.00 O ATOM 756 CB ILE A 53 -3.755 -8.136 0.160 1.00 0.00 C ATOM 757 CG1 ILE A 53 -5.230 -8.008 0.547 1.00 0.00 C ATOM 758 CG2 ILE A 53 -3.068 -9.195 1.009 1.00 0.00 C ATOM 759 CD1 ILE A 53 -6.002 -9.303 0.420 1.00 0.00 C ATOM 0 H ILE A 53 -4.525 -5.954 -0.914 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.870 -6.586 1.374 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.699 -8.443 -0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.298 -7.653 1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.698 -7.252 -0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.583 -10.148 0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.031 -9.301 0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.097 -8.896 2.057 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.040 -9.138 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.965 -9.649 -0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.558 -10.056 1.071 1.00 0.00 H new ATOM 771 N ILE A 54 -0.618 -6.725 0.350 1.00 0.00 N ATOM 772 CA ILE A 54 0.723 -6.767 -0.220 1.00 0.00 C ATOM 773 C ILE A 54 1.280 -8.187 -0.212 1.00 0.00 C ATOM 774 O ILE A 54 1.050 -8.950 0.727 1.00 0.00 O ATOM 775 CB ILE A 54 1.690 -5.844 0.545 1.00 0.00 C ATOM 776 CG1 ILE A 54 1.008 -4.514 0.872 1.00 0.00 C ATOM 777 CG2 ILE A 54 2.955 -5.612 -0.267 1.00 0.00 C ATOM 778 CD1 ILE A 54 1.670 -3.758 2.002 1.00 0.00 C ATOM 0 H ILE A 54 -0.643 -6.605 1.363 1.00 0.00 H new ATOM 0 HA ILE A 54 0.639 -6.418 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 54 1.967 -6.328 1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.004 -3.888 -0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.033 -4.703 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.628 -4.958 0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.448 -6.566 -0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.697 -5.145 -1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.134 -2.826 2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.650 -4.365 2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.704 -3.537 1.736 1.00 0.00 H new ATOM 790 N LYS A 55 2.014 -8.535 -1.263 1.00 0.00 N ATOM 791 CA LYS A 55 2.608 -9.862 -1.376 1.00 0.00 C ATOM 792 C LYS A 55 4.126 -9.792 -1.246 1.00 0.00 C ATOM 793 O LYS A 55 4.707 -10.385 -0.337 1.00 0.00 O ATOM 794 CB LYS A 55 2.229 -10.499 -2.715 1.00 0.00 C ATOM 795 CG LYS A 55 2.991 -11.778 -3.017 1.00 0.00 C ATOM 796 CD LYS A 55 2.311 -12.990 -2.403 1.00 0.00 C ATOM 797 CE LYS A 55 2.568 -14.247 -3.219 1.00 0.00 C ATOM 798 NZ LYS A 55 2.423 -15.481 -2.398 1.00 0.00 N ATOM 0 H LYS A 55 2.212 -7.916 -2.049 1.00 0.00 H new ATOM 0 HA LYS A 55 2.220 -10.477 -0.564 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.160 -10.714 -2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.411 -9.780 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.068 -11.911 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.008 -11.696 -2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.674 -13.135 -1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.238 -12.811 -2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.872 -14.285 -4.057 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.572 -14.207 -3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.606 -16.316 -2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.105 -15.458 -1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.457 -15.533 -2.016 1.00 0.00 H new ATOM 812 N GLU A 56 4.761 -9.063 -2.158 1.00 0.00 N ATOM 813 CA GLU A 56 6.212 -8.916 -2.142 1.00 0.00 C ATOM 814 C GLU A 56 6.623 -7.527 -2.623 1.00 0.00 C ATOM 815 O GLU A 56 5.832 -6.811 -3.236 1.00 0.00 O ATOM 816 CB GLU A 56 6.864 -9.986 -3.020 1.00 0.00 C ATOM 817 CG GLU A 56 8.259 -10.381 -2.563 1.00 0.00 C ATOM 818 CD GLU A 56 8.762 -11.638 -3.244 1.00 0.00 C ATOM 819 OE1 GLU A 56 8.411 -11.856 -4.422 1.00 0.00 O ATOM 820 OE2 GLU A 56 9.507 -12.405 -2.598 1.00 0.00 O ATOM 0 H GLU A 56 4.294 -8.565 -2.916 1.00 0.00 H new ATOM 0 HA GLU A 56 6.554 -9.041 -1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.229 -10.872 -3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.917 -9.620 -4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.949 -9.562 -2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.254 -10.534 -1.484 1.00 0.00 H new ATOM 827 N VAL A 57 7.867 -7.154 -2.340 1.00 0.00 N ATOM 828 CA VAL A 57 8.385 -5.852 -2.744 1.00 0.00 C ATOM 829 C VAL A 57 9.838 -5.955 -3.195 1.00 0.00 C ATOM 830 O VAL A 57 10.677 -6.522 -2.497 1.00 0.00 O ATOM 831 CB VAL A 57 8.286 -4.829 -1.598 1.00 0.00 C ATOM 832 CG1 VAL A 57 8.777 -5.438 -0.293 1.00 0.00 C ATOM 833 CG2 VAL A 57 9.072 -3.571 -1.937 1.00 0.00 C ATOM 0 H VAL A 57 8.535 -7.735 -1.833 1.00 0.00 H new ATOM 0 HA VAL A 57 7.772 -5.512 -3.578 1.00 0.00 H new ATOM 0 HB VAL A 57 7.239 -4.553 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.699 -4.700 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.167 -6.306 -0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.817 -5.745 -0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.991 -2.859 -1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.120 -3.828 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.669 -3.124 -2.846 1.00 0.00 H new ATOM 843 N ASN A 58 10.128 -5.401 -4.368 1.00 0.00 N ATOM 844 CA ASN A 58 11.481 -5.430 -4.913 1.00 0.00 C ATOM 845 C ASN A 58 12.062 -6.839 -4.852 1.00 0.00 C ATOM 846 O ASN A 58 13.276 -7.018 -4.764 1.00 0.00 O ATOM 847 CB ASN A 58 12.383 -4.460 -4.146 1.00 0.00 C ATOM 848 CG ASN A 58 12.276 -3.039 -4.665 1.00 0.00 C ATOM 849 OD1 ASN A 58 12.224 -2.809 -5.873 1.00 0.00 O ATOM 850 ND2 ASN A 58 12.244 -2.077 -3.750 1.00 0.00 N ATOM 0 H ASN A 58 9.445 -4.927 -4.959 1.00 0.00 H new ATOM 0 HA ASN A 58 11.432 -5.122 -5.957 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.117 -4.479 -3.089 1.00 0.00 H new ATOM 0 HB3 ASN A 58 13.418 -4.794 -4.220 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.174 -1.101 -4.038 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.290 -2.314 -2.759 1.00 0.00 H new ATOM 857 N GLY A 59 11.185 -7.837 -4.899 1.00 0.00 N ATOM 858 CA GLY A 59 11.630 -9.218 -4.849 1.00 0.00 C ATOM 859 C GLY A 59 12.069 -9.635 -3.459 1.00 0.00 C ATOM 860 O GLY A 59 12.983 -10.446 -3.308 1.00 0.00 O ATOM 0 H GLY A 59 10.175 -7.714 -4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.822 -9.869 -5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.458 -9.355 -5.545 1.00 0.00 H new ATOM 864 N GLN A 60 11.419 -9.078 -2.443 1.00 0.00 N ATOM 865 CA GLN A 60 11.750 -9.396 -1.059 1.00 0.00 C ATOM 866 C GLN A 60 10.489 -9.504 -0.208 1.00 0.00 C ATOM 867 O GLN A 60 9.455 -8.908 -0.509 1.00 0.00 O ATOM 868 CB GLN A 60 12.682 -8.331 -0.478 1.00 0.00 C ATOM 869 CG GLN A 60 14.109 -8.424 -0.993 1.00 0.00 C ATOM 870 CD GLN A 60 14.899 -7.153 -0.755 1.00 0.00 C ATOM 871 OE1 GLN A 60 14.351 -6.139 -0.322 1.00 0.00 O ATOM 872 NE2 GLN A 60 16.196 -7.201 -1.036 1.00 0.00 N ATOM 0 H GLN A 60 10.661 -8.405 -2.552 1.00 0.00 H new ATOM 0 HA GLN A 60 12.258 -10.360 -1.046 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.283 -7.344 -0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.690 -8.421 0.608 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.614 -9.258 -0.505 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.092 -8.642 -2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.609 -8.063 -1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.779 -6.376 -0.895 1.00 0.00 H new ATOM 881 N PRO A 61 10.574 -10.283 0.881 1.00 0.00 N ATOM 882 CA PRO A 61 9.448 -10.488 1.797 1.00 0.00 C ATOM 883 C PRO A 61 9.119 -9.234 2.600 1.00 0.00 C ATOM 884 O PRO A 61 10.002 -8.617 3.197 1.00 0.00 O ATOM 885 CB PRO A 61 9.943 -11.601 2.724 1.00 0.00 C ATOM 886 CG PRO A 61 11.428 -11.493 2.687 1.00 0.00 C ATOM 887 CD PRO A 61 11.775 -11.024 1.301 1.00 0.00 C ATOM 0 HA PRO A 61 8.529 -10.735 1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.562 -11.471 3.737 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.609 -12.580 2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.787 -10.789 3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.895 -12.454 2.902 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.660 -10.388 1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.985 -11.861 0.634 1.00 0.00 H new ATOM 895 N VAL A 62 7.843 -8.862 2.612 1.00 0.00 N ATOM 896 CA VAL A 62 7.397 -7.682 3.343 1.00 0.00 C ATOM 897 C VAL A 62 7.357 -7.948 4.844 1.00 0.00 C ATOM 898 O VAL A 62 7.435 -7.023 5.651 1.00 0.00 O ATOM 899 CB VAL A 62 6.002 -7.226 2.876 1.00 0.00 C ATOM 900 CG1 VAL A 62 6.088 -6.550 1.516 1.00 0.00 C ATOM 901 CG2 VAL A 62 5.043 -8.406 2.834 1.00 0.00 C ATOM 0 H VAL A 62 7.100 -9.361 2.123 1.00 0.00 H new ATOM 0 HA VAL A 62 8.117 -6.891 3.136 1.00 0.00 H new ATOM 0 HB VAL A 62 5.618 -6.500 3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.093 -6.235 1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.740 -5.679 1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.493 -7.251 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.062 -8.066 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.421 -9.157 2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.958 -8.842 3.830 1.00 0.00 H new ATOM 911 N GLY A 63 7.236 -9.220 5.211 1.00 0.00 N ATOM 912 CA GLY A 63 7.188 -9.586 6.614 1.00 0.00 C ATOM 913 C GLY A 63 5.812 -9.388 7.218 1.00 0.00 C ATOM 914 O GLY A 63 5.333 -8.260 7.334 1.00 0.00 O ATOM 0 H GLY A 63 7.170 -10.004 4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.483 -10.629 6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.913 -8.989 7.167 1.00 0.00 H new ATOM 918 N SER A 64 5.173 -10.488 7.603 1.00 0.00 N ATOM 919 CA SER A 64 3.841 -10.432 8.194 1.00 0.00 C ATOM 920 C SER A 64 3.689 -9.194 9.073 1.00 0.00 C ATOM 921 O SER A 64 2.639 -8.551 9.083 1.00 0.00 O ATOM 922 CB SER A 64 3.571 -11.693 9.017 1.00 0.00 C ATOM 923 OG SER A 64 3.077 -12.739 8.200 1.00 0.00 O ATOM 0 H SER A 64 5.556 -11.429 7.516 1.00 0.00 H new ATOM 0 HA SER A 64 3.113 -10.373 7.385 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.490 -12.014 9.508 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.850 -11.470 9.804 1.00 0.00 H new ATOM 0 HG SER A 64 2.914 -13.534 8.749 1.00 0.00 H new ATOM 929 N ASP A 65 4.744 -8.867 9.810 1.00 0.00 N ATOM 930 CA ASP A 65 4.730 -7.706 10.693 1.00 0.00 C ATOM 931 C ASP A 65 4.548 -6.419 9.895 1.00 0.00 C ATOM 932 O ASP A 65 5.346 -6.085 9.018 1.00 0.00 O ATOM 933 CB ASP A 65 6.025 -7.639 11.504 1.00 0.00 C ATOM 934 CG ASP A 65 6.275 -8.905 12.301 1.00 0.00 C ATOM 935 OD1 ASP A 65 5.771 -8.998 13.440 1.00 0.00 O ATOM 936 OD2 ASP A 65 6.973 -9.802 11.785 1.00 0.00 O ATOM 0 H ASP A 65 5.620 -9.389 9.814 1.00 0.00 H new ATOM 0 HA ASP A 65 3.888 -7.811 11.377 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.864 -7.466 10.830 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.981 -6.788 12.184 1.00 0.00 H new ATOM 941 N PRO A 66 3.473 -5.678 10.203 1.00 0.00 N ATOM 942 CA PRO A 66 3.161 -4.416 9.525 1.00 0.00 C ATOM 943 C PRO A 66 4.147 -3.309 9.879 1.00 0.00 C ATOM 944 O PRO A 66 4.685 -2.638 8.998 1.00 0.00 O ATOM 945 CB PRO A 66 1.762 -4.072 10.043 1.00 0.00 C ATOM 946 CG PRO A 66 1.668 -4.756 11.363 1.00 0.00 C ATOM 947 CD PRO A 66 2.480 -6.015 11.236 1.00 0.00 C ATOM 0 HA PRO A 66 3.218 -4.511 8.441 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.632 -2.995 10.145 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.989 -4.423 9.359 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.055 -4.121 12.160 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.631 -4.984 11.612 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.956 -6.283 12.179 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.863 -6.863 10.939 1.00 0.00 H new ATOM 955 N ARG A 67 4.380 -3.122 11.174 1.00 0.00 N ATOM 956 CA ARG A 67 5.301 -2.095 11.645 1.00 0.00 C ATOM 957 C ARG A 67 6.683 -2.279 11.024 1.00 0.00 C ATOM 958 O ARG A 67 7.418 -1.312 10.823 1.00 0.00 O ATOM 959 CB ARG A 67 5.406 -2.133 13.170 1.00 0.00 C ATOM 960 CG ARG A 67 4.059 -2.133 13.874 1.00 0.00 C ATOM 961 CD ARG A 67 4.220 -2.184 15.385 1.00 0.00 C ATOM 962 NE ARG A 67 5.319 -3.057 15.789 1.00 0.00 N ATOM 963 CZ ARG A 67 6.582 -2.654 15.878 1.00 0.00 C ATOM 964 NH1 ARG A 67 6.903 -1.399 15.594 1.00 0.00 N ATOM 965 NH2 ARG A 67 7.527 -3.507 16.253 1.00 0.00 N ATOM 0 H ARG A 67 3.943 -3.669 11.916 1.00 0.00 H new ATOM 0 HA ARG A 67 4.910 -1.124 11.340 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.961 -3.024 13.465 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.983 -1.272 13.507 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.502 -1.238 13.596 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.473 -2.989 13.540 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.398 -1.178 15.765 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.293 -2.536 15.837 1.00 0.00 H new ATOM 0 HE ARG A 67 5.105 -4.028 16.015 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.179 -0.740 15.306 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.873 -1.093 15.663 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.284 -4.473 16.473 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.496 -3.197 16.321 1.00 0.00 H new ATOM 979 N ALA A 68 7.030 -3.526 10.723 1.00 0.00 N ATOM 980 CA ALA A 68 8.322 -3.836 10.125 1.00 0.00 C ATOM 981 C ALA A 68 8.321 -3.537 8.630 1.00 0.00 C ATOM 982 O ALA A 68 9.362 -3.234 8.046 1.00 0.00 O ATOM 983 CB ALA A 68 8.682 -5.294 10.373 1.00 0.00 C ATOM 0 H ALA A 68 6.434 -4.338 10.884 1.00 0.00 H new ATOM 0 HA ALA A 68 9.074 -3.202 10.595 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.650 -5.512 9.921 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.733 -5.479 11.446 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.921 -5.937 9.930 1.00 0.00 H new ATOM 989 N LEU A 69 7.146 -3.623 8.015 1.00 0.00 N ATOM 990 CA LEU A 69 7.009 -3.362 6.586 1.00 0.00 C ATOM 991 C LEU A 69 7.264 -1.890 6.275 1.00 0.00 C ATOM 992 O LEU A 69 8.133 -1.558 5.470 1.00 0.00 O ATOM 993 CB LEU A 69 5.614 -3.762 6.106 1.00 0.00 C ATOM 994 CG LEU A 69 5.122 -3.081 4.828 1.00 0.00 C ATOM 995 CD1 LEU A 69 5.967 -3.507 3.638 1.00 0.00 C ATOM 996 CD2 LEU A 69 3.654 -3.400 4.584 1.00 0.00 C ATOM 0 H LEU A 69 6.275 -3.871 8.484 1.00 0.00 H new ATOM 0 HA LEU A 69 7.753 -3.960 6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.602 -4.840 5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.902 -3.550 6.904 1.00 0.00 H new ATOM 0 HG LEU A 69 5.222 -2.003 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.603 -3.013 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.006 -3.227 3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.899 -4.588 3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.321 -2.907 3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.528 -4.478 4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.060 -3.044 5.425 1.00 0.00 H new ATOM 1008 N GLN A 70 6.501 -1.014 6.920 1.00 0.00 N ATOM 1009 CA GLN A 70 6.645 0.422 6.713 1.00 0.00 C ATOM 1010 C GLN A 70 8.106 0.845 6.830 1.00 0.00 C ATOM 1011 O GLN A 70 8.492 1.913 6.356 1.00 0.00 O ATOM 1012 CB GLN A 70 5.797 1.193 7.725 1.00 0.00 C ATOM 1013 CG GLN A 70 4.308 1.167 7.417 1.00 0.00 C ATOM 1014 CD GLN A 70 3.452 1.343 8.655 1.00 0.00 C ATOM 1015 OE1 GLN A 70 2.761 0.418 9.082 1.00 0.00 O ATOM 1016 NE2 GLN A 70 3.494 2.535 9.240 1.00 0.00 N ATOM 0 H GLN A 70 5.777 -1.273 7.590 1.00 0.00 H new ATOM 0 HA GLN A 70 6.297 0.654 5.706 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.961 0.775 8.718 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.135 2.229 7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.075 1.957 6.704 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.057 0.221 6.938 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.081 3.273 8.852 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.939 2.712 10.077 1.00 0.00 H new ATOM 1025 N GLU A 71 8.913 0.000 7.464 1.00 0.00 N ATOM 1026 CA GLU A 71 10.331 0.288 7.644 1.00 0.00 C ATOM 1027 C GLU A 71 11.146 -0.237 6.466 1.00 0.00 C ATOM 1028 O GLU A 71 12.172 0.339 6.100 1.00 0.00 O ATOM 1029 CB GLU A 71 10.839 -0.334 8.947 1.00 0.00 C ATOM 1030 CG GLU A 71 12.352 -0.302 9.087 1.00 0.00 C ATOM 1031 CD GLU A 71 12.816 -0.673 10.482 1.00 0.00 C ATOM 1032 OE1 GLU A 71 12.728 0.185 11.385 1.00 0.00 O ATOM 1033 OE2 GLU A 71 13.268 -1.822 10.670 1.00 0.00 O ATOM 0 H GLU A 71 8.609 -0.889 7.861 1.00 0.00 H new ATOM 0 HA GLU A 71 10.452 1.370 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.393 0.194 9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.499 -1.368 9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.795 -0.989 8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.715 0.696 8.841 1.00 0.00 H new ATOM 1040 N LEU A 72 10.684 -1.334 5.876 1.00 0.00 N ATOM 1041 CA LEU A 72 11.369 -1.938 4.739 1.00 0.00 C ATOM 1042 C LEU A 72 11.408 -0.978 3.554 1.00 0.00 C ATOM 1043 O LEU A 72 12.427 -0.857 2.872 1.00 0.00 O ATOM 1044 CB LEU A 72 10.676 -3.240 4.333 1.00 0.00 C ATOM 1045 CG LEU A 72 9.568 -3.112 3.286 1.00 0.00 C ATOM 1046 CD1 LEU A 72 10.161 -2.827 1.914 1.00 0.00 C ATOM 1047 CD2 LEU A 72 8.720 -4.375 3.251 1.00 0.00 C ATOM 0 H LEU A 72 9.838 -1.823 6.166 1.00 0.00 H new ATOM 0 HA LEU A 72 12.394 -2.158 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.432 -3.927 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.252 -3.697 5.227 1.00 0.00 H new ATOM 0 HG LEU A 72 8.927 -2.275 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.358 -2.739 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.725 -1.895 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.825 -3.643 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.937 -4.267 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.349 -5.229 2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.266 -4.536 4.229 1.00 0.00 H new ATOM 1059 N LEU A 73 10.294 -0.297 3.314 1.00 0.00 N ATOM 1060 CA LEU A 73 10.200 0.655 2.213 1.00 0.00 C ATOM 1061 C LEU A 73 11.106 1.859 2.455 1.00 0.00 C ATOM 1062 O LEU A 73 11.731 2.374 1.528 1.00 0.00 O ATOM 1063 CB LEU A 73 8.754 1.119 2.034 1.00 0.00 C ATOM 1064 CG LEU A 73 7.778 0.078 1.485 1.00 0.00 C ATOM 1065 CD1 LEU A 73 6.373 0.336 2.005 1.00 0.00 C ATOM 1066 CD2 LEU A 73 7.795 0.082 -0.037 1.00 0.00 C ATOM 0 H LEU A 73 9.442 -0.386 3.868 1.00 0.00 H new ATOM 0 HA LEU A 73 10.528 0.153 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.382 1.463 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.750 1.980 1.365 1.00 0.00 H new ATOM 0 HG LEU A 73 8.095 -0.906 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.693 -0.415 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.372 0.281 3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.045 1.327 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.095 -0.665 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.504 1.067 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.799 -0.153 -0.390 1.00 0.00 H new ATOM 1078 N ARG A 74 11.173 2.300 3.707 1.00 0.00 N ATOM 1079 CA ARG A 74 12.003 3.442 4.071 1.00 0.00 C ATOM 1080 C ARG A 74 13.375 3.350 3.410 1.00 0.00 C ATOM 1081 O ARG A 74 13.879 4.330 2.863 1.00 0.00 O ATOM 1082 CB ARG A 74 12.161 3.521 5.590 1.00 0.00 C ATOM 1083 CG ARG A 74 12.921 4.750 6.060 1.00 0.00 C ATOM 1084 CD ARG A 74 12.880 4.885 7.575 1.00 0.00 C ATOM 1085 NE ARG A 74 14.067 5.557 8.097 1.00 0.00 N ATOM 1086 CZ ARG A 74 15.298 5.072 7.979 1.00 0.00 C ATOM 1087 NH1 ARG A 74 15.503 3.917 7.361 1.00 0.00 N ATOM 1088 NH2 ARG A 74 16.327 5.743 8.481 1.00 0.00 N ATOM 0 H ARG A 74 10.663 1.884 4.486 1.00 0.00 H new ATOM 0 HA ARG A 74 11.508 4.346 3.717 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.173 3.517 6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.679 2.628 5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.957 4.688 5.727 1.00 0.00 H new ATOM 0 HG3 ARG A 74 12.492 5.641 5.602 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.990 5.444 7.865 1.00 0.00 H new ATOM 0 HD3 ARG A 74 12.796 3.896 8.025 1.00 0.00 H new ATOM 0 HE ARG A 74 13.944 6.448 8.579 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.714 3.398 6.975 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.449 3.547 7.272 1.00 0.00 H new ATOM 0 HH21 ARG A 74 16.173 6.631 8.958 1.00 0.00 H new ATOM 0 HH22 ARG A 74 17.272 5.370 8.390 1.00 0.00 H new ATOM 1102 N ASN A 75 13.974 2.164 3.465 1.00 0.00 N ATOM 1103 CA ASN A 75 15.288 1.944 2.873 1.00 0.00 C ATOM 1104 C ASN A 75 15.193 1.863 1.352 1.00 0.00 C ATOM 1105 O ASN A 75 16.078 2.336 0.639 1.00 0.00 O ATOM 1106 CB ASN A 75 15.911 0.660 3.425 1.00 0.00 C ATOM 1107 CG ASN A 75 16.725 0.906 4.680 1.00 0.00 C ATOM 1108 OD1 ASN A 75 17.525 1.840 4.742 1.00 0.00 O ATOM 1109 ND2 ASN A 75 16.526 0.065 5.688 1.00 0.00 N ATOM 0 H ASN A 75 13.570 1.342 3.913 1.00 0.00 H new ATOM 0 HA ASN A 75 15.923 2.790 3.135 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.121 -0.059 3.642 1.00 0.00 H new ATOM 0 HB3 ASN A 75 16.549 0.212 2.663 1.00 0.00 H new ATOM 0 HD21 ASN A 75 17.046 0.179 6.558 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.853 -0.695 5.593 1.00 0.00 H new ATOM 1116 N ALA A 76 14.114 1.261 0.863 1.00 0.00 N ATOM 1117 CA ALA A 76 13.902 1.121 -0.572 1.00 0.00 C ATOM 1118 C ALA A 76 13.987 2.472 -1.274 1.00 0.00 C ATOM 1119 O ALA A 76 13.177 3.364 -1.025 1.00 0.00 O ATOM 1120 CB ALA A 76 12.555 0.467 -0.845 1.00 0.00 C ATOM 0 H ALA A 76 13.373 0.862 1.440 1.00 0.00 H new ATOM 0 HA ALA A 76 14.691 0.483 -0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.410 0.369 -1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.530 -0.520 -0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.760 1.084 -0.426 1.00 0.00 H new ATOM 1126 N SER A 77 14.975 2.616 -2.152 1.00 0.00 N ATOM 1127 CA SER A 77 15.169 3.860 -2.887 1.00 0.00 C ATOM 1128 C SER A 77 15.024 3.632 -4.389 1.00 0.00 C ATOM 1129 O SER A 77 14.967 2.494 -4.853 1.00 0.00 O ATOM 1130 CB SER A 77 16.547 4.449 -2.580 1.00 0.00 C ATOM 1131 OG SER A 77 16.672 5.758 -3.109 1.00 0.00 O ATOM 0 H SER A 77 15.653 1.886 -2.371 1.00 0.00 H new ATOM 0 HA SER A 77 14.401 4.565 -2.568 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.704 4.473 -1.502 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.322 3.808 -3.001 1.00 0.00 H new ATOM 0 HG SER A 77 17.561 6.113 -2.898 1.00 0.00 H new ATOM 1137 N GLY A 78 14.965 4.725 -5.144 1.00 0.00 N ATOM 1138 CA GLY A 78 14.827 4.624 -6.585 1.00 0.00 C ATOM 1139 C GLY A 78 13.509 4.000 -6.999 1.00 0.00 C ATOM 1140 O GLY A 78 12.496 4.164 -6.319 1.00 0.00 O ATOM 0 H GLY A 78 15.010 5.678 -4.783 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.909 5.618 -7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.648 4.029 -6.985 1.00 0.00 H new ATOM 1144 N SER A 79 13.521 3.285 -8.119 1.00 0.00 N ATOM 1145 CA SER A 79 12.316 2.639 -8.626 1.00 0.00 C ATOM 1146 C SER A 79 11.926 1.452 -7.750 1.00 0.00 C ATOM 1147 O SER A 79 12.612 0.430 -7.728 1.00 0.00 O ATOM 1148 CB SER A 79 12.529 2.174 -10.068 1.00 0.00 C ATOM 1149 OG SER A 79 12.830 3.268 -10.917 1.00 0.00 O ATOM 0 H SER A 79 14.352 3.138 -8.693 1.00 0.00 H new ATOM 0 HA SER A 79 11.506 3.368 -8.602 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.341 1.448 -10.103 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.633 1.667 -10.426 1.00 0.00 H new ATOM 0 HG SER A 79 12.963 2.945 -11.832 1.00 0.00 H new ATOM 1155 N VAL A 80 10.819 1.595 -7.028 1.00 0.00 N ATOM 1156 CA VAL A 80 10.336 0.536 -6.151 1.00 0.00 C ATOM 1157 C VAL A 80 9.042 -0.070 -6.682 1.00 0.00 C ATOM 1158 O VAL A 80 8.181 0.639 -7.205 1.00 0.00 O ATOM 1159 CB VAL A 80 10.097 1.057 -4.721 1.00 0.00 C ATOM 1160 CG1 VAL A 80 9.712 -0.086 -3.794 1.00 0.00 C ATOM 1161 CG2 VAL A 80 11.331 1.781 -4.205 1.00 0.00 C ATOM 0 H VAL A 80 10.240 2.435 -7.034 1.00 0.00 H new ATOM 0 HA VAL A 80 11.110 -0.231 -6.126 1.00 0.00 H new ATOM 0 HB VAL A 80 9.271 1.768 -4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.547 0.301 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.798 -0.556 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.515 -0.823 -3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.145 2.142 -3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.178 1.095 -4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.556 2.625 -4.856 1.00 0.00 H new ATOM 1171 N ILE A 81 8.910 -1.385 -6.544 1.00 0.00 N ATOM 1172 CA ILE A 81 7.720 -2.086 -7.008 1.00 0.00 C ATOM 1173 C ILE A 81 6.947 -2.690 -5.841 1.00 0.00 C ATOM 1174 O ILE A 81 7.536 -3.239 -4.909 1.00 0.00 O ATOM 1175 CB ILE A 81 8.079 -3.204 -8.005 1.00 0.00 C ATOM 1176 CG1 ILE A 81 8.528 -2.604 -9.339 1.00 0.00 C ATOM 1177 CG2 ILE A 81 6.891 -4.133 -8.209 1.00 0.00 C ATOM 1178 CD1 ILE A 81 7.440 -1.830 -10.050 1.00 0.00 C ATOM 0 H ILE A 81 9.613 -1.986 -6.114 1.00 0.00 H new ATOM 0 HA ILE A 81 7.095 -1.348 -7.511 1.00 0.00 H new ATOM 0 HB ILE A 81 8.904 -3.785 -7.594 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.377 -1.944 -9.164 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.877 -3.406 -9.990 1.00 0.00 H new ATOM 0 HG21 ILE A 81 7.160 -4.918 -8.916 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.613 -4.583 -7.256 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.048 -3.565 -8.601 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.829 -1.433 -10.988 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.599 -2.492 -10.257 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.107 -1.007 -9.418 1.00 0.00 H new ATOM 1190 N LEU A 82 5.624 -2.587 -5.898 1.00 0.00 N ATOM 1191 CA LEU A 82 4.768 -3.124 -4.846 1.00 0.00 C ATOM 1192 C LEU A 82 3.728 -4.079 -5.425 1.00 0.00 C ATOM 1193 O LEU A 82 2.854 -3.672 -6.190 1.00 0.00 O ATOM 1194 CB LEU A 82 4.072 -1.987 -4.097 1.00 0.00 C ATOM 1195 CG LEU A 82 4.911 -1.267 -3.040 1.00 0.00 C ATOM 1196 CD1 LEU A 82 4.172 -0.046 -2.513 1.00 0.00 C ATOM 1197 CD2 LEU A 82 5.261 -2.213 -1.902 1.00 0.00 C ATOM 0 H LEU A 82 5.120 -2.136 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 82 5.396 -3.679 -4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.734 -1.251 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.182 -2.389 -3.614 1.00 0.00 H new ATOM 0 HG LEU A 82 5.838 -0.932 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.784 0.454 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.973 0.642 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.229 -0.357 -2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.858 -1.684 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.345 -2.578 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.831 -3.056 -2.292 1.00 0.00 H new ATOM 1209 N LYS A 83 3.828 -5.350 -5.052 1.00 0.00 N ATOM 1210 CA LYS A 83 2.895 -6.363 -5.530 1.00 0.00 C ATOM 1211 C LYS A 83 1.650 -6.416 -4.649 1.00 0.00 C ATOM 1212 O LYS A 83 1.696 -6.914 -3.524 1.00 0.00 O ATOM 1213 CB LYS A 83 3.571 -7.736 -5.559 1.00 0.00 C ATOM 1214 CG LYS A 83 2.930 -8.709 -6.533 1.00 0.00 C ATOM 1215 CD LYS A 83 3.689 -10.025 -6.587 1.00 0.00 C ATOM 1216 CE LYS A 83 3.576 -10.678 -7.956 1.00 0.00 C ATOM 1217 NZ LYS A 83 4.210 -12.025 -7.982 1.00 0.00 N ATOM 0 H LYS A 83 4.546 -5.703 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 83 2.592 -6.093 -6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.621 -7.609 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.544 -8.166 -4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.898 -8.895 -6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.901 -8.264 -7.527 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.739 -9.851 -6.351 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.300 -10.702 -5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.525 -10.766 -8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.048 -10.040 -8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.112 -12.437 -8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.219 -11.938 -7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.743 -12.642 -7.287 1.00 0.00 H new ATOM 1231 N ILE A 84 0.541 -5.902 -5.168 1.00 0.00 N ATOM 1232 CA ILE A 84 -0.715 -5.894 -4.429 1.00 0.00 C ATOM 1233 C ILE A 84 -1.637 -7.014 -4.899 1.00 0.00 C ATOM 1234 O ILE A 84 -1.458 -7.566 -5.986 1.00 0.00 O ATOM 1235 CB ILE A 84 -1.447 -4.546 -4.578 1.00 0.00 C ATOM 1236 CG1 ILE A 84 -0.455 -3.387 -4.463 1.00 0.00 C ATOM 1237 CG2 ILE A 84 -2.541 -4.420 -3.529 1.00 0.00 C ATOM 1238 CD1 ILE A 84 -0.133 -3.007 -3.035 1.00 0.00 C ATOM 0 H ILE A 84 0.486 -5.486 -6.098 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.464 -6.049 -3.380 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.910 -4.507 -5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.468 -3.657 -4.975 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.863 -2.518 -4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.049 -3.463 -3.647 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.259 -5.230 -3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.099 -4.476 -2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.576 -2.179 -3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.047 -2.705 -2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.305 -3.863 -2.521 1.00 0.00 H new ATOM 1250 N LEU A 85 -2.625 -7.345 -4.075 1.00 0.00 N ATOM 1251 CA LEU A 85 -3.577 -8.399 -4.406 1.00 0.00 C ATOM 1252 C LEU A 85 -4.931 -8.133 -3.757 1.00 0.00 C ATOM 1253 O LEU A 85 -5.015 -7.475 -2.720 1.00 0.00 O ATOM 1254 CB LEU A 85 -3.041 -9.759 -3.954 1.00 0.00 C ATOM 1255 CG LEU A 85 -2.223 -10.534 -4.988 1.00 0.00 C ATOM 1256 CD1 LEU A 85 -0.760 -10.120 -4.930 1.00 0.00 C ATOM 1257 CD2 LEU A 85 -2.363 -12.033 -4.764 1.00 0.00 C ATOM 0 H LEU A 85 -2.788 -6.898 -3.172 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.708 -8.409 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.422 -9.608 -3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.886 -10.378 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.608 -10.297 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.193 -10.682 -5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.675 -9.054 -5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.362 -10.328 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.774 -12.569 -5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.004 -12.287 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.411 -12.318 -4.856 1.00 0.00 H new ATOM 1269 N SER A 86 -5.989 -8.650 -4.373 1.00 0.00 N ATOM 1270 CA SER A 86 -7.341 -8.467 -3.856 1.00 0.00 C ATOM 1271 C SER A 86 -7.754 -9.649 -2.985 1.00 0.00 C ATOM 1272 O SER A 86 -7.054 -10.659 -2.917 1.00 0.00 O ATOM 1273 CB SER A 86 -8.332 -8.297 -5.009 1.00 0.00 C ATOM 1274 OG SER A 86 -9.493 -7.604 -4.586 1.00 0.00 O ATOM 0 H SER A 86 -5.937 -9.199 -5.231 1.00 0.00 H new ATOM 0 HA SER A 86 -7.350 -7.566 -3.243 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.856 -7.752 -5.824 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.611 -9.275 -5.400 1.00 0.00 H new ATOM 0 HG SER A 86 -10.110 -7.507 -5.342 1.00 0.00 H new