USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 627 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 1 MET CE :methyl -131:sc= 0 (180deg=-0.0844) USER MOD Single : A 1 MET N :NH3+ 158:sc= -5.05! (180deg=-6.24!) USER MOD Single : A 2 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.36) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -60:sc= -0.0178 USER MOD Single : A 9 THR OG1 : rot -33:sc= 1.15 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -89:sc= 0.151 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 25 ASN : amide:sc= -1.04 K(o=-1,f=-0.11) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.166 K(o=-0.17,f=-2.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -3.1 X(o=-3.1,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.391 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -1.13 USER MOD Single : A 60 ASN : amide:sc= -1.05 K(o=-1.1,f=-3.7!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -126:sc= 0.608! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.513 -5.548 4.223 1.00 0.00 N ATOM 2 CA MET A 1 -12.660 -4.944 5.536 1.00 0.00 C ATOM 3 C MET A 1 -11.887 -3.626 5.623 1.00 0.00 C ATOM 4 O MET A 1 -11.454 -3.088 4.606 1.00 0.00 O ATOM 5 CB MET A 1 -12.144 -5.910 6.604 1.00 0.00 C ATOM 6 CG MET A 1 -10.637 -6.129 6.463 1.00 0.00 C ATOM 7 SD MET A 1 -10.072 -7.299 7.687 1.00 0.00 S ATOM 8 CE MET A 1 -10.543 -8.827 6.896 1.00 0.00 C ATOM 0 H1 MET A 1 -12.708 -6.568 4.286 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.184 -5.108 3.561 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.542 -5.402 3.880 1.00 0.00 H new ATOM 0 HA MET A 1 -13.717 -4.736 5.703 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.366 -5.515 7.595 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.663 -6.864 6.518 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.407 -6.497 5.463 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.111 -5.182 6.583 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.082 -9.453 7.607 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.185 -8.612 6.042 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.650 -9.351 6.556 1.00 0.00 H new ATOM 18 N GLN A 2 -11.738 -3.145 6.848 1.00 0.00 N ATOM 19 CA GLN A 2 -11.025 -1.900 7.082 1.00 0.00 C ATOM 20 C GLN A 2 -9.536 -2.175 7.304 1.00 0.00 C ATOM 21 O GLN A 2 -9.166 -3.230 7.819 1.00 0.00 O ATOM 22 CB GLN A 2 -11.624 -1.138 8.266 1.00 0.00 C ATOM 23 CG GLN A 2 -10.825 0.133 8.560 1.00 0.00 C ATOM 24 CD GLN A 2 -11.571 1.032 9.549 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.068 2.094 9.210 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.622 0.549 10.787 1.00 0.00 N ATOM 0 H GLN A 2 -12.099 -3.595 7.690 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.131 -1.272 6.197 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.660 -0.879 8.049 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.633 -1.778 9.148 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.850 -0.132 8.968 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.645 0.677 7.633 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.185 -0.347 11.003 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.098 1.074 11.520 1.00 0.00 H new ATOM 35 N ILE A 3 -8.722 -1.209 6.904 1.00 0.00 N ATOM 36 CA ILE A 3 -7.282 -1.334 7.053 1.00 0.00 C ATOM 37 C ILE A 3 -6.687 0.038 7.377 1.00 0.00 C ATOM 38 O ILE A 3 -7.335 1.063 7.176 1.00 0.00 O ATOM 39 CB ILE A 3 -6.671 -1.994 5.815 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.960 -1.172 4.557 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.143 -3.441 5.676 1.00 0.00 C ATOM 42 CD1 ILE A 3 -6.214 -1.740 3.347 1.00 0.00 C ATOM 0 H ILE A 3 -9.032 -0.336 6.477 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.040 -1.992 7.888 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.589 -2.020 5.940 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.032 -1.168 4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.662 -0.136 4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.694 -3.886 4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.843 -4.008 6.558 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.229 -3.462 5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.437 -1.137 2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.141 -1.720 3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.532 -2.768 3.173 1.00 0.00 H new ATOM 54 N PHE A 4 -5.459 0.012 7.874 1.00 0.00 N ATOM 55 CA PHE A 4 -4.768 1.241 8.227 1.00 0.00 C ATOM 56 C PHE A 4 -3.492 1.409 7.401 1.00 0.00 C ATOM 57 O PHE A 4 -2.458 0.826 7.723 1.00 0.00 O ATOM 58 CB PHE A 4 -4.394 1.133 9.706 1.00 0.00 C ATOM 59 CG PHE A 4 -5.535 1.480 10.665 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.737 0.856 10.545 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.346 2.414 11.636 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.796 1.179 11.433 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.406 2.736 12.525 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.608 2.112 12.405 1.00 0.00 C ATOM 0 H PHE A 4 -4.925 -0.841 8.041 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.410 2.099 8.031 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.057 0.117 9.911 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.551 1.795 9.906 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.886 0.115 9.774 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.391 2.910 11.731 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.751 0.684 11.337 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.257 3.477 13.297 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.414 2.357 13.081 1.00 0.00 H new ATOM 74 N VAL A 5 -3.605 2.210 6.351 1.00 0.00 N ATOM 75 CA VAL A 5 -2.474 2.463 5.476 1.00 0.00 C ATOM 76 C VAL A 5 -1.612 3.577 6.074 1.00 0.00 C ATOM 77 O VAL A 5 -2.127 4.481 6.731 1.00 0.00 O ATOM 78 CB VAL A 5 -2.965 2.780 4.063 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.633 4.156 4.011 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.822 2.686 3.050 1.00 0.00 C ATOM 0 H VAL A 5 -4.464 2.692 6.087 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.848 1.575 5.395 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.712 2.034 3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.973 4.357 2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.486 4.172 4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.916 4.920 4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.199 2.916 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.041 3.398 3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.411 1.677 3.058 1.00 0.00 H new ATOM 90 N LYS A 6 -0.315 3.476 5.824 1.00 0.00 N ATOM 91 CA LYS A 6 0.623 4.464 6.329 1.00 0.00 C ATOM 92 C LYS A 6 1.237 5.226 5.153 1.00 0.00 C ATOM 93 O LYS A 6 1.426 4.664 4.074 1.00 0.00 O ATOM 94 CB LYS A 6 1.658 3.804 7.241 1.00 0.00 C ATOM 95 CG LYS A 6 1.222 3.874 8.706 1.00 0.00 C ATOM 96 CD LYS A 6 1.935 2.808 9.542 1.00 0.00 C ATOM 97 CE LYS A 6 2.044 3.242 11.005 1.00 0.00 C ATOM 98 NZ LYS A 6 2.065 2.060 11.896 1.00 0.00 N ATOM 0 H LYS A 6 0.108 2.725 5.278 1.00 0.00 H new ATOM 0 HA LYS A 6 0.107 5.196 6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.795 2.763 6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.622 4.298 7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.442 4.863 9.108 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.143 3.734 8.775 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.390 1.866 9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.931 2.629 9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.950 3.830 11.150 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.203 3.885 11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.139 2.372 12.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.188 1.515 11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.882 1.462 11.660 1.00 0.00 H new ATOM 112 N THR A 7 1.533 6.494 5.399 1.00 0.00 N ATOM 113 CA THR A 7 2.122 7.339 4.374 1.00 0.00 C ATOM 114 C THR A 7 3.633 7.454 4.582 1.00 0.00 C ATOM 115 O THR A 7 4.145 7.114 5.647 1.00 0.00 O ATOM 116 CB THR A 7 1.400 8.687 4.400 1.00 0.00 C ATOM 117 OG1 THR A 7 0.034 8.345 4.613 1.00 0.00 O ATOM 118 CG2 THR A 7 1.403 9.379 3.035 1.00 0.00 C ATOM 0 H THR A 7 1.376 6.957 6.294 1.00 0.00 H new ATOM 0 HA THR A 7 1.994 6.906 3.382 1.00 0.00 H new ATOM 0 HB THR A 7 1.871 9.337 5.137 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.279 7.775 3.879 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.878 10.331 3.109 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.431 9.555 2.719 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.902 8.744 2.304 1.00 0.00 H new ATOM 126 N LEU A 8 4.306 7.936 3.547 1.00 0.00 N ATOM 127 CA LEU A 8 5.748 8.101 3.602 1.00 0.00 C ATOM 128 C LEU A 8 6.098 9.136 4.674 1.00 0.00 C ATOM 129 O LEU A 8 7.258 9.264 5.064 1.00 0.00 O ATOM 130 CB LEU A 8 6.303 8.439 2.218 1.00 0.00 C ATOM 131 CG LEU A 8 7.802 8.207 2.021 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.115 6.715 1.897 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.329 9.004 0.825 1.00 0.00 C ATOM 0 H LEU A 8 3.878 8.218 2.665 1.00 0.00 H new ATOM 0 HA LEU A 8 6.227 7.166 3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.764 7.848 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.087 9.487 2.008 1.00 0.00 H new ATOM 0 HG LEU A 8 8.322 8.573 2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.187 6.579 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.798 6.200 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.582 6.301 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.397 8.821 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.806 8.692 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.160 10.068 0.993 1.00 0.00 H new ATOM 145 N THR A 9 5.074 9.848 5.120 1.00 0.00 N ATOM 146 CA THR A 9 5.258 10.868 6.139 1.00 0.00 C ATOM 147 C THR A 9 4.832 10.336 7.509 1.00 0.00 C ATOM 148 O THR A 9 4.545 11.113 8.417 1.00 0.00 O ATOM 149 CB THR A 9 4.486 12.115 5.704 1.00 0.00 C ATOM 150 OG1 THR A 9 4.760 13.068 6.727 1.00 0.00 O ATOM 151 CG2 THR A 9 2.970 11.919 5.774 1.00 0.00 C ATOM 0 H THR A 9 4.114 9.739 4.794 1.00 0.00 H new ATOM 0 HA THR A 9 6.309 11.139 6.243 1.00 0.00 H new ATOM 0 HB THR A 9 4.771 12.381 4.686 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.865 12.606 7.585 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.470 12.833 5.455 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.679 11.098 5.119 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.680 11.685 6.798 1.00 0.00 H new ATOM 159 N GLY A 10 4.805 9.016 7.613 1.00 0.00 N ATOM 160 CA GLY A 10 4.419 8.371 8.856 1.00 0.00 C ATOM 161 C GLY A 10 2.988 8.747 9.248 1.00 0.00 C ATOM 162 O GLY A 10 2.626 8.685 10.421 1.00 0.00 O ATOM 0 H GLY A 10 5.044 8.375 6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.498 7.289 8.748 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.106 8.663 9.650 1.00 0.00 H new ATOM 166 N LYS A 11 2.215 9.128 8.242 1.00 0.00 N ATOM 167 CA LYS A 11 0.832 9.513 8.466 1.00 0.00 C ATOM 168 C LYS A 11 -0.044 8.260 8.499 1.00 0.00 C ATOM 169 O LYS A 11 0.228 7.289 7.795 1.00 0.00 O ATOM 170 CB LYS A 11 0.388 10.546 7.428 1.00 0.00 C ATOM 171 CG LYS A 11 -1.021 11.059 7.732 1.00 0.00 C ATOM 172 CD LYS A 11 -1.033 12.584 7.864 1.00 0.00 C ATOM 173 CE LYS A 11 -1.881 13.023 9.060 1.00 0.00 C ATOM 174 NZ LYS A 11 -1.134 12.835 10.323 1.00 0.00 N ATOM 0 H LYS A 11 2.520 9.178 7.270 1.00 0.00 H new ATOM 0 HA LYS A 11 0.726 10.002 9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.089 11.381 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.410 10.100 6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.702 10.754 6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.385 10.608 8.655 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.013 12.951 7.982 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.428 13.029 6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.162 14.070 8.949 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.806 12.447 9.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.724 13.138 11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.888 11.831 10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.264 13.404 10.300 1.00 0.00 H new ATOM 188 N THR A 12 -1.079 8.320 9.324 1.00 0.00 N ATOM 189 CA THR A 12 -1.996 7.202 9.458 1.00 0.00 C ATOM 190 C THR A 12 -3.300 7.487 8.709 1.00 0.00 C ATOM 191 O THR A 12 -4.042 8.398 9.073 1.00 0.00 O ATOM 192 CB THR A 12 -2.200 6.933 10.951 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.926 6.479 11.399 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.131 5.747 11.211 1.00 0.00 C ATOM 0 H THR A 12 -1.303 9.127 9.907 1.00 0.00 H new ATOM 0 HA THR A 12 -1.587 6.300 9.003 1.00 0.00 H new ATOM 0 HB THR A 12 -2.607 7.825 11.428 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.967 6.283 12.358 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.241 5.600 12.285 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.107 5.947 10.770 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.708 4.848 10.763 1.00 0.00 H new ATOM 202 N ILE A 13 -3.537 6.692 7.676 1.00 0.00 N ATOM 203 CA ILE A 13 -4.737 6.849 6.872 1.00 0.00 C ATOM 204 C ILE A 13 -5.490 5.518 6.823 1.00 0.00 C ATOM 205 O ILE A 13 -4.952 4.514 6.359 1.00 0.00 O ATOM 206 CB ILE A 13 -4.389 7.410 5.493 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.979 8.881 5.586 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.540 7.198 4.507 1.00 0.00 C ATOM 209 CD1 ILE A 13 -3.305 9.346 4.294 1.00 0.00 C ATOM 0 H ILE A 13 -2.919 5.938 7.377 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.407 7.579 7.326 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.530 6.860 5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.858 9.495 5.783 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.298 9.020 6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.266 7.606 3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.743 6.132 4.409 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.432 7.705 4.875 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.024 10.395 4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.413 8.746 4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.997 9.229 3.460 1.00 0.00 H new ATOM 221 N THR A 14 -6.723 5.553 7.307 1.00 0.00 N ATOM 222 CA THR A 14 -7.554 4.361 7.324 1.00 0.00 C ATOM 223 C THR A 14 -8.465 4.330 6.095 1.00 0.00 C ATOM 224 O THR A 14 -8.858 5.376 5.582 1.00 0.00 O ATOM 225 CB THR A 14 -8.319 4.337 8.648 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.296 4.320 9.640 1.00 0.00 O ATOM 227 CG2 THR A 14 -9.072 3.023 8.865 1.00 0.00 C ATOM 0 H THR A 14 -7.166 6.388 7.690 1.00 0.00 H new ATOM 0 HA THR A 14 -6.950 3.456 7.265 1.00 0.00 H new ATOM 0 HB THR A 14 -9.024 5.168 8.675 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.051 3.393 9.841 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.598 3.058 9.819 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.792 2.879 8.059 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.364 2.195 8.872 1.00 0.00 H new ATOM 235 N LEU A 15 -8.774 3.117 5.658 1.00 0.00 N ATOM 236 CA LEU A 15 -9.632 2.935 4.500 1.00 0.00 C ATOM 237 C LEU A 15 -10.609 1.789 4.768 1.00 0.00 C ATOM 238 O LEU A 15 -10.212 0.733 5.260 1.00 0.00 O ATOM 239 CB LEU A 15 -8.792 2.744 3.236 1.00 0.00 C ATOM 240 CG LEU A 15 -9.397 3.284 1.939 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.740 2.614 1.642 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.514 4.809 1.981 1.00 0.00 C ATOM 0 H LEU A 15 -8.445 2.251 6.086 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.230 3.829 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.826 3.224 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.601 1.678 3.108 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.724 3.036 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.150 3.015 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.595 1.539 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.433 2.810 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.947 5.167 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.154 5.102 2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.524 5.246 2.113 1.00 0.00 H new ATOM 254 N GLU A 16 -11.867 2.034 4.433 1.00 0.00 N ATOM 255 CA GLU A 16 -12.903 1.036 4.633 1.00 0.00 C ATOM 256 C GLU A 16 -13.223 0.333 3.311 1.00 0.00 C ATOM 257 O GLU A 16 -13.845 0.919 2.427 1.00 0.00 O ATOM 258 CB GLU A 16 -14.160 1.662 5.238 1.00 0.00 C ATOM 259 CG GLU A 16 -14.531 2.959 4.514 1.00 0.00 C ATOM 260 CD GLU A 16 -14.091 4.182 5.321 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.943 4.626 5.100 1.00 0.00 O ATOM 262 OE2 GLU A 16 -14.914 4.647 6.141 1.00 0.00 O ATOM 0 H GLU A 16 -12.192 2.910 4.024 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.532 0.293 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.988 0.956 5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.996 1.866 6.296 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.060 2.979 3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.608 2.994 4.352 1.00 0.00 H new ATOM 269 N VAL A 17 -12.784 -0.914 3.219 1.00 0.00 N ATOM 270 CA VAL A 17 -13.016 -1.702 2.021 1.00 0.00 C ATOM 271 C VAL A 17 -13.481 -3.104 2.421 1.00 0.00 C ATOM 272 O VAL A 17 -13.607 -3.405 3.607 1.00 0.00 O ATOM 273 CB VAL A 17 -11.757 -1.715 1.151 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.382 -0.299 0.710 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.594 -2.390 1.880 1.00 0.00 C ATOM 0 H VAL A 17 -12.269 -1.398 3.955 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.807 -1.257 1.418 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.973 -2.298 0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.484 -0.336 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.201 0.131 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.193 0.318 1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.712 -2.386 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.377 -1.847 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.863 -3.419 2.120 1.00 0.00 H new ATOM 285 N GLU A 18 -13.722 -3.923 1.409 1.00 0.00 N ATOM 286 CA GLU A 18 -14.170 -5.287 1.639 1.00 0.00 C ATOM 287 C GLU A 18 -13.042 -6.275 1.334 1.00 0.00 C ATOM 288 O GLU A 18 -12.110 -5.951 0.601 1.00 0.00 O ATOM 289 CB GLU A 18 -15.416 -5.603 0.809 1.00 0.00 C ATOM 290 CG GLU A 18 -16.688 -5.180 1.546 1.00 0.00 C ATOM 291 CD GLU A 18 -17.394 -6.392 2.159 1.00 0.00 C ATOM 292 OE1 GLU A 18 -18.228 -6.986 1.441 1.00 0.00 O ATOM 293 OE2 GLU A 18 -17.085 -6.697 3.331 1.00 0.00 O ATOM 0 H GLU A 18 -13.616 -3.669 0.427 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.440 -5.387 2.690 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.359 -5.088 -0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.454 -6.671 0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.438 -4.465 2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.362 -4.673 0.855 1.00 0.00 H new ATOM 300 N PRO A 19 -13.167 -7.492 1.928 1.00 0.00 N ATOM 301 CA PRO A 19 -12.171 -8.529 1.727 1.00 0.00 C ATOM 302 C PRO A 19 -12.303 -9.156 0.338 1.00 0.00 C ATOM 303 O PRO A 19 -11.407 -9.866 -0.115 1.00 0.00 O ATOM 304 CB PRO A 19 -12.406 -9.524 2.852 1.00 0.00 C ATOM 305 CG PRO A 19 -13.813 -9.252 3.362 1.00 0.00 C ATOM 306 CD PRO A 19 -14.259 -7.910 2.804 1.00 0.00 C ATOM 0 HA PRO A 19 -11.152 -8.144 1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.312 -10.549 2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.671 -9.396 3.647 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.493 -10.042 3.045 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.828 -9.236 4.452 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.195 -8.001 2.254 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.427 -7.186 3.601 1.00 0.00 H new ATOM 314 N SER A 20 -13.428 -8.868 -0.301 1.00 0.00 N ATOM 315 CA SER A 20 -13.688 -9.394 -1.630 1.00 0.00 C ATOM 316 C SER A 20 -13.140 -8.436 -2.689 1.00 0.00 C ATOM 317 O SER A 20 -12.845 -8.848 -3.810 1.00 0.00 O ATOM 318 CB SER A 20 -15.186 -9.624 -1.846 1.00 0.00 C ATOM 319 OG SER A 20 -15.953 -8.459 -1.556 1.00 0.00 O ATOM 0 H SER A 20 -14.169 -8.278 0.077 1.00 0.00 H new ATOM 0 HA SER A 20 -13.182 -10.355 -1.723 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.361 -9.925 -2.879 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.521 -10.446 -1.213 1.00 0.00 H new ATOM 0 HG SER A 20 -16.903 -8.647 -1.708 1.00 0.00 H new ATOM 325 N ASP A 21 -13.021 -7.176 -2.297 1.00 0.00 N ATOM 326 CA ASP A 21 -12.514 -6.157 -3.198 1.00 0.00 C ATOM 327 C ASP A 21 -11.037 -6.433 -3.495 1.00 0.00 C ATOM 328 O ASP A 21 -10.312 -6.934 -2.638 1.00 0.00 O ATOM 329 CB ASP A 21 -12.617 -4.765 -2.571 1.00 0.00 C ATOM 330 CG ASP A 21 -13.991 -4.415 -1.998 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.957 -5.117 -2.369 1.00 0.00 O ATOM 332 OD2 ASP A 21 -14.046 -3.452 -1.203 1.00 0.00 O ATOM 0 H ASP A 21 -13.267 -6.838 -1.367 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.111 -6.187 -4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.877 -4.686 -1.775 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.355 -4.023 -3.325 1.00 0.00 H new ATOM 337 N THR A 22 -10.639 -6.095 -4.712 1.00 0.00 N ATOM 338 CA THR A 22 -9.263 -6.301 -5.133 1.00 0.00 C ATOM 339 C THR A 22 -8.394 -5.114 -4.711 1.00 0.00 C ATOM 340 O THR A 22 -8.901 -4.124 -4.185 1.00 0.00 O ATOM 341 CB THR A 22 -9.262 -6.549 -6.642 1.00 0.00 C ATOM 342 OG1 THR A 22 -10.319 -5.727 -7.130 1.00 0.00 O ATOM 343 CG2 THR A 22 -9.697 -7.971 -7.002 1.00 0.00 C ATOM 0 H THR A 22 -11.244 -5.680 -5.420 1.00 0.00 H new ATOM 0 HA THR A 22 -8.826 -7.173 -4.646 1.00 0.00 H new ATOM 0 HB THR A 22 -8.264 -6.364 -7.040 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.388 -5.825 -8.103 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.679 -8.094 -8.085 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.015 -8.687 -6.544 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.708 -8.146 -6.634 1.00 0.00 H new ATOM 351 N ILE A 23 -7.099 -5.253 -4.958 1.00 0.00 N ATOM 352 CA ILE A 23 -6.155 -4.205 -4.610 1.00 0.00 C ATOM 353 C ILE A 23 -6.410 -2.982 -5.493 1.00 0.00 C ATOM 354 O ILE A 23 -6.127 -1.853 -5.092 1.00 0.00 O ATOM 355 CB ILE A 23 -4.719 -4.730 -4.688 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.376 -5.569 -3.456 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.727 -3.584 -4.897 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.109 -4.677 -2.242 1.00 0.00 C ATOM 0 H ILE A 23 -6.682 -6.075 -5.395 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.300 -3.890 -3.577 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.640 -5.385 -5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.197 -6.252 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.498 -6.182 -3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.714 -3.984 -4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.960 -3.066 -5.827 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.798 -2.885 -4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.868 -5.299 -1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.272 -4.012 -2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.997 -4.084 -2.024 1.00 0.00 H new ATOM 370 N GLU A 24 -6.943 -3.245 -6.677 1.00 0.00 N ATOM 371 CA GLU A 24 -7.241 -2.179 -7.619 1.00 0.00 C ATOM 372 C GLU A 24 -8.401 -1.326 -7.104 1.00 0.00 C ATOM 373 O GLU A 24 -8.360 -0.099 -7.190 1.00 0.00 O ATOM 374 CB GLU A 24 -7.547 -2.744 -9.006 1.00 0.00 C ATOM 375 CG GLU A 24 -7.583 -1.632 -10.056 1.00 0.00 C ATOM 376 CD GLU A 24 -8.960 -0.966 -10.102 1.00 0.00 C ATOM 377 OE1 GLU A 24 -9.950 -1.692 -9.869 1.00 0.00 O ATOM 378 OE2 GLU A 24 -8.990 0.255 -10.369 1.00 0.00 O ATOM 0 H GLU A 24 -7.177 -4.182 -7.006 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.361 -1.542 -7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.791 -3.481 -9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.505 -3.263 -8.988 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.822 -0.886 -9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.341 -2.044 -11.036 1.00 0.00 H new ATOM 385 N ASN A 25 -9.411 -2.008 -6.583 1.00 0.00 N ATOM 386 CA ASN A 25 -10.581 -1.328 -6.057 1.00 0.00 C ATOM 387 C ASN A 25 -10.185 -0.530 -4.812 1.00 0.00 C ATOM 388 O ASN A 25 -10.584 0.623 -4.656 1.00 0.00 O ATOM 389 CB ASN A 25 -11.665 -2.329 -5.651 1.00 0.00 C ATOM 390 CG ASN A 25 -13.025 -1.641 -5.519 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.915 -1.807 -6.338 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.136 -0.862 -4.448 1.00 0.00 N ATOM 0 H ASN A 25 -9.442 -3.025 -6.514 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.969 -0.673 -6.837 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.727 -3.125 -6.393 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.397 -2.797 -4.704 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.005 -0.359 -4.271 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.352 -0.768 -3.803 1.00 0.00 H new ATOM 399 N VAL A 26 -9.404 -1.176 -3.959 1.00 0.00 N ATOM 400 CA VAL A 26 -8.950 -0.542 -2.733 1.00 0.00 C ATOM 401 C VAL A 26 -8.023 0.625 -3.082 1.00 0.00 C ATOM 402 O VAL A 26 -8.080 1.678 -2.447 1.00 0.00 O ATOM 403 CB VAL A 26 -8.289 -1.577 -1.821 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.856 -0.945 -0.497 1.00 0.00 C ATOM 405 CG2 VAL A 26 -9.218 -2.769 -1.582 1.00 0.00 C ATOM 0 H VAL A 26 -9.074 -2.132 -4.093 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.795 -0.134 -2.179 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.395 -1.944 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.389 -1.703 0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.142 -0.145 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.728 -0.536 0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.724 -3.490 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.138 -2.424 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.454 -3.243 -2.535 1.00 0.00 H new ATOM 415 N LYS A 27 -7.192 0.399 -4.088 1.00 0.00 N ATOM 416 CA LYS A 27 -6.254 1.419 -4.528 1.00 0.00 C ATOM 417 C LYS A 27 -7.030 2.599 -5.116 1.00 0.00 C ATOM 418 O LYS A 27 -6.680 3.755 -4.883 1.00 0.00 O ATOM 419 CB LYS A 27 -5.225 0.820 -5.489 1.00 0.00 C ATOM 420 CG LYS A 27 -4.046 0.216 -4.722 1.00 0.00 C ATOM 421 CD LYS A 27 -2.712 0.696 -5.298 1.00 0.00 C ATOM 422 CE LYS A 27 -1.842 -0.488 -5.726 1.00 0.00 C ATOM 423 NZ LYS A 27 -2.300 -1.023 -7.028 1.00 0.00 N ATOM 0 H LYS A 27 -7.148 -0.475 -4.612 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.682 1.802 -3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.698 0.052 -6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.864 1.592 -6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.112 0.493 -3.670 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.096 -0.872 -4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.894 1.346 -6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.183 1.290 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.801 -0.174 -5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.885 -1.271 -4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.699 -1.826 -7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.287 -1.341 -6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.236 -0.278 -7.751 1.00 0.00 H new ATOM 437 N ALA A 28 -8.070 2.268 -5.867 1.00 0.00 N ATOM 438 CA ALA A 28 -8.899 3.286 -6.489 1.00 0.00 C ATOM 439 C ALA A 28 -9.549 4.144 -5.402 1.00 0.00 C ATOM 440 O ALA A 28 -9.623 5.365 -5.532 1.00 0.00 O ATOM 441 CB ALA A 28 -9.932 2.618 -7.400 1.00 0.00 C ATOM 0 H ALA A 28 -8.358 1.308 -6.059 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.294 3.945 -7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.554 3.382 -7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.419 2.046 -8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.559 1.950 -6.810 1.00 0.00 H new ATOM 447 N LYS A 29 -10.002 3.472 -4.354 1.00 0.00 N ATOM 448 CA LYS A 29 -10.642 4.158 -3.245 1.00 0.00 C ATOM 449 C LYS A 29 -9.627 5.078 -2.565 1.00 0.00 C ATOM 450 O LYS A 29 -9.954 6.206 -2.199 1.00 0.00 O ATOM 451 CB LYS A 29 -11.291 3.148 -2.294 1.00 0.00 C ATOM 452 CG LYS A 29 -12.623 3.679 -1.759 1.00 0.00 C ATOM 453 CD LYS A 29 -13.300 2.645 -0.855 1.00 0.00 C ATOM 454 CE LYS A 29 -14.257 3.322 0.130 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.521 3.689 -0.546 1.00 0.00 N ATOM 0 H LYS A 29 -9.938 2.459 -4.250 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.454 4.790 -3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.454 2.205 -2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.617 2.941 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.454 4.600 -1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.281 3.926 -2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.848 1.927 -1.465 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.543 2.085 -0.306 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.465 2.651 0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.789 4.213 0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.159 4.147 0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.319 4.346 -1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.975 2.832 -0.923 1.00 0.00 H new ATOM 469 N ILE A 30 -8.416 4.563 -2.416 1.00 0.00 N ATOM 470 CA ILE A 30 -7.350 5.325 -1.786 1.00 0.00 C ATOM 471 C ILE A 30 -7.019 6.542 -2.653 1.00 0.00 C ATOM 472 O ILE A 30 -6.739 7.621 -2.133 1.00 0.00 O ATOM 473 CB ILE A 30 -6.145 4.426 -1.502 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.467 3.406 -0.408 1.00 0.00 C ATOM 475 CG2 ILE A 30 -4.908 5.260 -1.162 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.554 2.183 -0.512 1.00 0.00 C ATOM 0 H ILE A 30 -8.148 3.627 -2.721 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.673 5.702 -0.816 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.916 3.864 -2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.350 3.869 0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.508 3.095 -0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.065 4.597 -0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.667 5.913 -2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.109 5.865 -0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.804 1.474 0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.691 1.708 -1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.515 2.494 -0.404 1.00 0.00 H new ATOM 488 N GLN A 31 -7.062 6.328 -3.960 1.00 0.00 N ATOM 489 CA GLN A 31 -6.769 7.394 -4.903 1.00 0.00 C ATOM 490 C GLN A 31 -7.791 8.523 -4.759 1.00 0.00 C ATOM 491 O GLN A 31 -7.427 9.664 -4.480 1.00 0.00 O ATOM 492 CB GLN A 31 -6.736 6.863 -6.337 1.00 0.00 C ATOM 493 CG GLN A 31 -6.489 7.996 -7.335 1.00 0.00 C ATOM 494 CD GLN A 31 -7.147 7.693 -8.682 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.881 6.731 -8.842 1.00 0.00 O ATOM 496 NE2 GLN A 31 -6.846 8.565 -9.641 1.00 0.00 N ATOM 0 H GLN A 31 -7.295 5.432 -4.388 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.780 7.793 -4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.952 6.112 -6.433 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.680 6.369 -6.568 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.884 8.930 -6.935 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.417 8.136 -7.473 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.225 9.349 -9.441 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.236 8.449 -10.576 1.00 0.00 H new ATOM 505 N ASP A 32 -9.052 8.166 -4.958 1.00 0.00 N ATOM 506 CA ASP A 32 -10.129 9.136 -4.856 1.00 0.00 C ATOM 507 C ASP A 32 -10.138 9.734 -3.447 1.00 0.00 C ATOM 508 O ASP A 32 -10.594 10.860 -3.250 1.00 0.00 O ATOM 509 CB ASP A 32 -11.488 8.478 -5.098 1.00 0.00 C ATOM 510 CG ASP A 32 -12.426 9.251 -6.027 1.00 0.00 C ATOM 511 OD1 ASP A 32 -12.272 9.084 -7.256 1.00 0.00 O ATOM 512 OD2 ASP A 32 -13.275 9.992 -5.487 1.00 0.00 O ATOM 0 H ASP A 32 -9.351 7.219 -5.189 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.962 9.906 -5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.324 7.485 -5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.984 8.341 -4.137 1.00 0.00 H new ATOM 517 N LYS A 33 -9.631 8.954 -2.504 1.00 0.00 N ATOM 518 CA LYS A 33 -9.575 9.392 -1.120 1.00 0.00 C ATOM 519 C LYS A 33 -8.397 10.351 -0.940 1.00 0.00 C ATOM 520 O LYS A 33 -8.591 11.556 -0.789 1.00 0.00 O ATOM 521 CB LYS A 33 -9.536 8.187 -0.178 1.00 0.00 C ATOM 522 CG LYS A 33 -9.638 8.630 1.283 1.00 0.00 C ATOM 523 CD LYS A 33 -11.099 8.798 1.705 1.00 0.00 C ATOM 524 CE LYS A 33 -11.206 9.577 3.018 1.00 0.00 C ATOM 525 NZ LYS A 33 -11.048 8.667 4.174 1.00 0.00 N ATOM 0 H LYS A 33 -9.255 8.021 -2.671 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.478 9.943 -0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.356 7.509 -0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.610 7.632 -0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.153 7.894 1.924 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.106 9.572 1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.649 9.320 0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.563 7.818 1.821 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.441 10.353 3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.172 10.079 3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.123 9.211 5.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.793 7.942 4.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.116 8.207 4.129 1.00 0.00 H new ATOM 539 N GLU A 34 -7.201 9.781 -0.962 1.00 0.00 N ATOM 540 CA GLU A 34 -5.992 10.570 -0.804 1.00 0.00 C ATOM 541 C GLU A 34 -5.771 11.455 -2.033 1.00 0.00 C ATOM 542 O GLU A 34 -5.745 12.680 -1.922 1.00 0.00 O ATOM 543 CB GLU A 34 -4.780 9.671 -0.550 1.00 0.00 C ATOM 544 CG GLU A 34 -3.965 10.173 0.643 1.00 0.00 C ATOM 545 CD GLU A 34 -3.209 11.456 0.291 1.00 0.00 C ATOM 546 OE1 GLU A 34 -3.874 12.384 -0.220 1.00 0.00 O ATOM 547 OE2 GLU A 34 -1.985 11.480 0.540 1.00 0.00 O ATOM 0 H GLU A 34 -7.044 8.781 -1.087 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.113 11.215 0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.113 8.650 -0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.150 9.644 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.628 10.358 1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.258 9.404 0.954 1.00 0.00 H new ATOM 554 N GLY A 35 -5.617 10.801 -3.174 1.00 0.00 N ATOM 555 CA GLY A 35 -5.400 11.512 -4.421 1.00 0.00 C ATOM 556 C GLY A 35 -4.213 10.926 -5.188 1.00 0.00 C ATOM 557 O GLY A 35 -3.922 11.347 -6.307 1.00 0.00 O ATOM 0 H GLY A 35 -5.638 9.785 -3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.298 11.456 -5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.219 12.567 -4.215 1.00 0.00 H new ATOM 561 N ILE A 36 -3.558 9.964 -4.555 1.00 0.00 N ATOM 562 CA ILE A 36 -2.408 9.315 -5.163 1.00 0.00 C ATOM 563 C ILE A 36 -2.891 8.287 -6.187 1.00 0.00 C ATOM 564 O ILE A 36 -3.899 7.615 -5.971 1.00 0.00 O ATOM 565 CB ILE A 36 -1.493 8.728 -4.087 1.00 0.00 C ATOM 566 CG1 ILE A 36 -0.910 9.832 -3.201 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.400 7.859 -4.711 1.00 0.00 C ATOM 568 CD1 ILE A 36 -1.168 9.541 -1.721 1.00 0.00 C ATOM 0 H ILE A 36 -3.802 9.618 -3.627 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.801 10.042 -5.702 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.092 8.082 -3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.162 9.916 -3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.353 10.791 -3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.236 7.454 -3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.858 7.040 -5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.202 8.463 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.744 10.340 -1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.242 9.481 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.702 8.593 -1.450 1.00 0.00 H new ATOM 580 N PRO A 37 -2.130 8.194 -7.310 1.00 0.00 N ATOM 581 CA PRO A 37 -2.470 7.258 -8.369 1.00 0.00 C ATOM 582 C PRO A 37 -2.116 5.824 -7.968 1.00 0.00 C ATOM 583 O PRO A 37 -1.219 5.606 -7.155 1.00 0.00 O ATOM 584 CB PRO A 37 -1.698 7.743 -9.585 1.00 0.00 C ATOM 585 CG PRO A 37 -0.600 8.647 -9.048 1.00 0.00 C ATOM 586 CD PRO A 37 -0.931 8.973 -7.602 1.00 0.00 C ATOM 0 HA PRO A 37 -3.539 7.229 -8.578 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.277 6.905 -10.140 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.349 8.285 -10.271 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.369 8.152 -9.116 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.534 9.560 -9.640 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.111 8.701 -6.937 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.110 10.040 -7.468 1.00 0.00 H new ATOM 594 N PRO A 38 -2.858 4.859 -8.574 1.00 0.00 N ATOM 595 CA PRO A 38 -2.632 3.452 -8.288 1.00 0.00 C ATOM 596 C PRO A 38 -1.359 2.951 -8.974 1.00 0.00 C ATOM 597 O PRO A 38 -0.737 1.995 -8.514 1.00 0.00 O ATOM 598 CB PRO A 38 -3.886 2.745 -8.776 1.00 0.00 C ATOM 599 CG PRO A 38 -4.564 3.712 -9.732 1.00 0.00 C ATOM 600 CD PRO A 38 -3.929 5.079 -9.541 1.00 0.00 C ATOM 0 HA PRO A 38 -2.469 3.259 -7.228 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.637 1.810 -9.278 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.543 2.495 -7.943 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.445 3.377 -10.762 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.635 3.757 -9.533 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.539 5.469 -10.481 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.654 5.804 -9.171 1.00 0.00 H new ATOM 608 N ASP A 39 -1.008 3.621 -10.061 1.00 0.00 N ATOM 609 CA ASP A 39 0.179 3.257 -10.815 1.00 0.00 C ATOM 610 C ASP A 39 1.423 3.589 -9.990 1.00 0.00 C ATOM 611 O ASP A 39 2.363 2.798 -9.928 1.00 0.00 O ATOM 612 CB ASP A 39 0.260 4.037 -12.129 1.00 0.00 C ATOM 613 CG ASP A 39 -0.944 3.865 -13.058 1.00 0.00 C ATOM 614 OD1 ASP A 39 -1.841 3.081 -12.684 1.00 0.00 O ATOM 615 OD2 ASP A 39 -0.938 4.521 -14.121 1.00 0.00 O ATOM 0 H ASP A 39 -1.525 4.415 -10.438 1.00 0.00 H new ATOM 0 HA ASP A 39 0.125 2.190 -11.033 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.374 5.096 -11.899 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.159 3.728 -12.663 1.00 0.00 H new ATOM 620 N GLN A 40 1.391 4.763 -9.376 1.00 0.00 N ATOM 621 CA GLN A 40 2.504 5.211 -8.557 1.00 0.00 C ATOM 622 C GLN A 40 2.307 4.769 -7.105 1.00 0.00 C ATOM 623 O GLN A 40 2.995 5.251 -6.207 1.00 0.00 O ATOM 624 CB GLN A 40 2.677 6.729 -8.649 1.00 0.00 C ATOM 625 CG GLN A 40 4.135 7.098 -8.926 1.00 0.00 C ATOM 626 CD GLN A 40 4.241 8.502 -9.525 1.00 0.00 C ATOM 627 OE1 GLN A 40 4.002 8.724 -10.701 1.00 0.00 O ATOM 628 NE2 GLN A 40 4.610 9.436 -8.652 1.00 0.00 N ATOM 0 H GLN A 40 0.611 5.418 -9.430 1.00 0.00 H new ATOM 0 HA GLN A 40 3.416 4.751 -8.936 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.041 7.124 -9.441 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.351 7.193 -7.718 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.708 7.049 -8.000 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.574 6.372 -9.611 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.795 9.182 -7.681 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.708 10.406 -8.953 1.00 0.00 H new ATOM 637 N GLN A 41 1.364 3.856 -6.921 1.00 0.00 N ATOM 638 CA GLN A 41 1.068 3.343 -5.594 1.00 0.00 C ATOM 639 C GLN A 41 1.856 2.058 -5.334 1.00 0.00 C ATOM 640 O GLN A 41 1.910 1.175 -6.188 1.00 0.00 O ATOM 641 CB GLN A 41 -0.434 3.112 -5.419 1.00 0.00 C ATOM 642 CG GLN A 41 -0.886 3.493 -4.008 1.00 0.00 C ATOM 643 CD GLN A 41 -2.163 4.335 -4.050 1.00 0.00 C ATOM 644 OE1 GLN A 41 -2.262 5.324 -4.758 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.131 3.890 -3.255 1.00 0.00 N ATOM 0 H GLN A 41 0.795 3.459 -7.669 1.00 0.00 H new ATOM 0 HA GLN A 41 1.375 4.088 -4.860 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.984 3.701 -6.153 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.669 2.065 -5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.060 2.591 -3.422 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.095 4.051 -3.507 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.982 3.055 -2.688 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.023 4.383 -3.212 1.00 0.00 H new ATOM 654 N ARG A 42 2.447 1.994 -4.151 1.00 0.00 N ATOM 655 CA ARG A 42 3.230 0.831 -3.767 1.00 0.00 C ATOM 656 C ARG A 42 2.860 0.386 -2.350 1.00 0.00 C ATOM 657 O ARG A 42 3.350 0.949 -1.371 1.00 0.00 O ATOM 658 CB ARG A 42 4.729 1.132 -3.824 1.00 0.00 C ATOM 659 CG ARG A 42 5.481 0.027 -4.568 1.00 0.00 C ATOM 660 CD ARG A 42 6.885 -0.166 -3.991 1.00 0.00 C ATOM 661 NE ARG A 42 7.618 -1.187 -4.771 1.00 0.00 N ATOM 662 CZ ARG A 42 8.294 -0.928 -5.898 1.00 0.00 C ATOM 663 NH1 ARG A 42 8.335 0.319 -6.384 1.00 0.00 N ATOM 664 NH2 ARG A 42 8.930 -1.918 -6.540 1.00 0.00 N ATOM 0 H ARG A 42 2.400 2.728 -3.445 1.00 0.00 H new ATOM 0 HA ARG A 42 3.004 0.032 -4.473 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.893 2.088 -4.322 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.123 1.228 -2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.924 -0.907 -4.498 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.550 0.279 -5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.428 0.779 -4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.819 -0.473 -2.947 1.00 0.00 H new ATOM 0 HE ARG A 42 7.608 -2.148 -4.429 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.851 1.073 -5.896 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.850 0.515 -7.242 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.899 -2.868 -6.170 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.445 -1.721 -7.398 1.00 0.00 H new ATOM 678 N LEU A 43 1.999 -0.618 -2.285 1.00 0.00 N ATOM 679 CA LEU A 43 1.558 -1.145 -1.004 1.00 0.00 C ATOM 680 C LEU A 43 2.385 -2.384 -0.654 1.00 0.00 C ATOM 681 O LEU A 43 2.401 -3.356 -1.407 1.00 0.00 O ATOM 682 CB LEU A 43 0.049 -1.396 -1.020 1.00 0.00 C ATOM 683 CG LEU A 43 -0.798 -0.351 -1.747 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.290 -0.598 -1.516 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.383 1.066 -1.347 1.00 0.00 C ATOM 0 H LEU A 43 1.594 -1.081 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 43 1.728 -0.415 -0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.133 -2.367 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.299 -1.463 0.011 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.617 -0.449 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.870 0.159 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.557 -1.586 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.507 -0.543 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.001 1.790 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.516 1.195 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.664 1.225 -1.604 1.00 0.00 H new ATOM 697 N ILE A 44 3.052 -2.308 0.488 1.00 0.00 N ATOM 698 CA ILE A 44 3.879 -3.411 0.946 1.00 0.00 C ATOM 699 C ILE A 44 3.196 -4.097 2.130 1.00 0.00 C ATOM 700 O ILE A 44 2.678 -3.429 3.024 1.00 0.00 O ATOM 701 CB ILE A 44 5.299 -2.926 1.250 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.987 -2.415 -0.018 1.00 0.00 C ATOM 703 CG2 ILE A 44 6.114 -4.019 1.943 1.00 0.00 C ATOM 704 CD1 ILE A 44 7.144 -1.476 0.328 1.00 0.00 C ATOM 0 H ILE A 44 3.037 -1.500 1.110 1.00 0.00 H new ATOM 0 HA ILE A 44 3.985 -4.160 0.161 1.00 0.00 H new ATOM 0 HB ILE A 44 5.233 -2.086 1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.360 -3.258 -0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.264 -1.892 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.119 -3.649 2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.630 -4.294 2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.175 -4.894 1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.616 -1.127 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.764 -0.622 0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.877 -2.010 0.933 1.00 0.00 H new ATOM 716 N PHE A 45 3.219 -5.421 2.101 1.00 0.00 N ATOM 717 CA PHE A 45 2.609 -6.205 3.161 1.00 0.00 C ATOM 718 C PHE A 45 3.312 -7.555 3.320 1.00 0.00 C ATOM 719 O PHE A 45 3.419 -8.319 2.362 1.00 0.00 O ATOM 720 CB PHE A 45 1.153 -6.445 2.758 1.00 0.00 C ATOM 721 CG PHE A 45 0.212 -6.685 3.940 1.00 0.00 C ATOM 722 CD1 PHE A 45 -0.044 -5.681 4.821 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.369 -7.904 4.110 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.918 -5.905 5.918 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.243 -8.127 5.206 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.499 -7.123 6.088 1.00 0.00 C ATOM 0 H PHE A 45 3.651 -5.971 1.359 1.00 0.00 H new ATOM 0 HA PHE A 45 2.686 -5.673 4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.797 -5.584 2.192 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.109 -7.306 2.091 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.417 -4.714 4.687 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.165 -8.702 3.411 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.121 -5.108 6.618 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.705 -9.094 5.340 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.163 -7.293 6.923 1.00 0.00 H new ATOM 736 N ALA A 46 3.772 -7.807 4.536 1.00 0.00 N ATOM 737 CA ALA A 46 4.461 -9.051 4.832 1.00 0.00 C ATOM 738 C ALA A 46 5.737 -9.135 3.991 1.00 0.00 C ATOM 739 O ALA A 46 6.282 -10.219 3.790 1.00 0.00 O ATOM 740 CB ALA A 46 3.519 -10.229 4.580 1.00 0.00 C ATOM 0 H ALA A 46 3.681 -7.171 5.328 1.00 0.00 H new ATOM 0 HA ALA A 46 4.754 -9.087 5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.036 -11.162 4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.643 -10.138 5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.206 -10.227 3.536 1.00 0.00 H new ATOM 746 N GLY A 47 6.176 -7.976 3.523 1.00 0.00 N ATOM 747 CA GLY A 47 7.377 -7.904 2.709 1.00 0.00 C ATOM 748 C GLY A 47 7.047 -8.081 1.226 1.00 0.00 C ATOM 749 O GLY A 47 7.893 -7.847 0.365 1.00 0.00 O ATOM 0 H GLY A 47 5.721 -7.079 3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.868 -6.943 2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.080 -8.675 3.023 1.00 0.00 H new ATOM 753 N LYS A 48 5.812 -8.492 0.973 1.00 0.00 N ATOM 754 CA LYS A 48 5.358 -8.703 -0.392 1.00 0.00 C ATOM 755 C LYS A 48 4.449 -7.544 -0.805 1.00 0.00 C ATOM 756 O LYS A 48 3.569 -7.140 -0.048 1.00 0.00 O ATOM 757 CB LYS A 48 4.704 -10.079 -0.532 1.00 0.00 C ATOM 758 CG LYS A 48 4.124 -10.270 -1.935 1.00 0.00 C ATOM 759 CD LYS A 48 3.992 -11.755 -2.276 1.00 0.00 C ATOM 760 CE LYS A 48 2.654 -12.043 -2.959 1.00 0.00 C ATOM 761 NZ LYS A 48 1.742 -12.754 -2.034 1.00 0.00 N ATOM 0 H LYS A 48 5.112 -8.684 1.690 1.00 0.00 H new ATOM 0 HA LYS A 48 6.203 -8.707 -1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.440 -10.858 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.913 -10.187 0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.147 -9.791 -1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.766 -9.781 -2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.811 -12.056 -2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.076 -12.350 -1.366 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.196 -11.109 -3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.817 -12.645 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.838 -12.942 -2.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.174 -13.655 -1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.572 -12.166 -1.193 1.00 0.00 H new ATOM 775 N GLN A 49 4.693 -7.044 -2.009 1.00 0.00 N ATOM 776 CA GLN A 49 3.907 -5.940 -2.533 1.00 0.00 C ATOM 777 C GLN A 49 2.578 -6.454 -3.091 1.00 0.00 C ATOM 778 O GLN A 49 2.531 -7.513 -3.715 1.00 0.00 O ATOM 779 CB GLN A 49 4.688 -5.168 -3.598 1.00 0.00 C ATOM 780 CG GLN A 49 4.922 -6.033 -4.839 1.00 0.00 C ATOM 781 CD GLN A 49 6.291 -5.742 -5.459 1.00 0.00 C ATOM 782 OE1 GLN A 49 6.635 -4.612 -5.767 1.00 0.00 O ATOM 783 NE2 GLN A 49 7.050 -6.821 -5.625 1.00 0.00 N ATOM 0 H GLN A 49 5.423 -7.383 -2.635 1.00 0.00 H new ATOM 0 HA GLN A 49 3.693 -5.251 -1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.140 -4.268 -3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.645 -4.845 -3.189 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.857 -7.087 -4.570 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.139 -5.843 -5.573 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.701 -7.738 -5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.981 -6.732 -6.032 1.00 0.00 H new ATOM 792 N LEU A 50 1.532 -5.679 -2.848 1.00 0.00 N ATOM 793 CA LEU A 50 0.206 -6.041 -3.319 1.00 0.00 C ATOM 794 C LEU A 50 0.108 -5.761 -4.819 1.00 0.00 C ATOM 795 O LEU A 50 0.244 -4.618 -5.252 1.00 0.00 O ATOM 796 CB LEU A 50 -0.869 -5.335 -2.490 1.00 0.00 C ATOM 797 CG LEU A 50 -0.601 -5.238 -0.987 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.689 -4.420 -0.288 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.444 -6.629 -0.368 1.00 0.00 C ATOM 0 H LEU A 50 1.576 -4.801 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 50 0.032 -7.108 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.997 -4.326 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.814 -5.857 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 50 0.342 -4.711 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.475 -4.366 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.711 -3.413 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.657 -4.897 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.254 -6.532 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.358 -7.202 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.392 -7.145 -0.840 1.00 0.00 H new ATOM 811 N GLU A 51 -0.127 -6.825 -5.574 1.00 0.00 N ATOM 812 CA GLU A 51 -0.244 -6.709 -7.017 1.00 0.00 C ATOM 813 C GLU A 51 -1.694 -6.426 -7.411 1.00 0.00 C ATOM 814 O GLU A 51 -2.587 -7.221 -7.119 1.00 0.00 O ATOM 815 CB GLU A 51 0.278 -7.967 -7.713 1.00 0.00 C ATOM 816 CG GLU A 51 1.711 -8.281 -7.278 1.00 0.00 C ATOM 817 CD GLU A 51 2.398 -9.210 -8.281 1.00 0.00 C ATOM 818 OE1 GLU A 51 2.090 -9.072 -9.485 1.00 0.00 O ATOM 819 OE2 GLU A 51 3.215 -10.036 -7.822 1.00 0.00 O ATOM 0 H GLU A 51 -0.240 -7.772 -5.212 1.00 0.00 H new ATOM 0 HA GLU A 51 0.371 -5.871 -7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.370 -8.812 -7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.244 -7.829 -8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.278 -7.355 -7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.702 -8.747 -6.293 1.00 0.00 H new ATOM 826 N ASP A 52 -1.886 -5.291 -8.067 1.00 0.00 N ATOM 827 CA ASP A 52 -3.214 -4.894 -8.503 1.00 0.00 C ATOM 828 C ASP A 52 -3.901 -6.081 -9.180 1.00 0.00 C ATOM 829 O ASP A 52 -3.599 -6.407 -10.326 1.00 0.00 O ATOM 830 CB ASP A 52 -3.141 -3.750 -9.517 1.00 0.00 C ATOM 831 CG ASP A 52 -4.452 -3.448 -10.247 1.00 0.00 C ATOM 832 OD1 ASP A 52 -4.922 -4.356 -10.967 1.00 0.00 O ATOM 833 OD2 ASP A 52 -4.953 -2.317 -10.069 1.00 0.00 O ATOM 0 H ASP A 52 -1.144 -4.634 -8.307 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.772 -4.565 -7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.814 -2.847 -9.001 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.377 -3.989 -10.257 1.00 0.00 H new ATOM 838 N GLY A 53 -4.812 -6.697 -8.440 1.00 0.00 N ATOM 839 CA GLY A 53 -5.544 -7.842 -8.954 1.00 0.00 C ATOM 840 C GLY A 53 -5.830 -8.854 -7.843 1.00 0.00 C ATOM 841 O GLY A 53 -6.674 -9.734 -8.001 1.00 0.00 O ATOM 0 H GLY A 53 -5.060 -6.425 -7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.482 -7.509 -9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.969 -8.320 -9.747 1.00 0.00 H new ATOM 845 N ARG A 54 -5.111 -8.693 -6.741 1.00 0.00 N ATOM 846 CA ARG A 54 -5.277 -9.582 -5.603 1.00 0.00 C ATOM 847 C ARG A 54 -6.223 -8.957 -4.576 1.00 0.00 C ATOM 848 O ARG A 54 -6.284 -7.736 -4.445 1.00 0.00 O ATOM 849 CB ARG A 54 -3.932 -9.878 -4.935 1.00 0.00 C ATOM 850 CG ARG A 54 -3.173 -10.971 -5.690 1.00 0.00 C ATOM 851 CD ARG A 54 -3.814 -12.341 -5.460 1.00 0.00 C ATOM 852 NE ARG A 54 -3.211 -13.341 -6.370 1.00 0.00 N ATOM 853 CZ ARG A 54 -3.551 -14.637 -6.393 1.00 0.00 C ATOM 854 NH1 ARG A 54 -4.492 -15.099 -5.557 1.00 0.00 N ATOM 855 NH2 ARG A 54 -2.950 -15.472 -7.252 1.00 0.00 N ATOM 0 H ARG A 54 -4.413 -7.961 -6.612 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.700 -10.517 -5.970 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.331 -8.969 -4.902 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.095 -10.190 -3.903 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.165 -10.743 -6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.134 -10.991 -5.361 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.673 -12.648 -4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.889 -12.282 -5.632 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.492 -13.024 -7.020 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.950 -14.464 -4.903 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.750 -16.086 -5.575 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.234 -15.121 -7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.209 -16.459 -7.270 1.00 0.00 H new ATOM 869 N THR A 55 -6.937 -9.824 -3.872 1.00 0.00 N ATOM 870 CA THR A 55 -7.877 -9.374 -2.862 1.00 0.00 C ATOM 871 C THR A 55 -7.213 -9.364 -1.482 1.00 0.00 C ATOM 872 O THR A 55 -6.291 -10.137 -1.228 1.00 0.00 O ATOM 873 CB THR A 55 -9.115 -10.269 -2.933 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.709 -11.475 -2.290 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.443 -10.701 -4.364 1.00 0.00 C ATOM 0 H THR A 55 -6.882 -10.837 -3.982 1.00 0.00 H new ATOM 0 HA THR A 55 -8.191 -8.347 -3.046 1.00 0.00 H new ATOM 0 HB THR A 55 -9.969 -9.742 -2.508 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.453 -12.112 -2.290 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.330 -11.335 -4.359 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.631 -9.819 -4.976 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.602 -11.258 -4.778 1.00 0.00 H new ATOM 883 N LEU A 56 -7.708 -8.480 -0.629 1.00 0.00 N ATOM 884 CA LEU A 56 -7.175 -8.360 0.717 1.00 0.00 C ATOM 885 C LEU A 56 -7.284 -9.711 1.428 1.00 0.00 C ATOM 886 O LEU A 56 -6.395 -10.092 2.187 1.00 0.00 O ATOM 887 CB LEU A 56 -7.861 -7.215 1.466 1.00 0.00 C ATOM 888 CG LEU A 56 -7.884 -5.864 0.748 1.00 0.00 C ATOM 889 CD1 LEU A 56 -9.144 -5.074 1.108 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.607 -5.070 1.034 1.00 0.00 C ATOM 0 H LEU A 56 -8.473 -7.840 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.117 -8.101 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.889 -7.510 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.363 -7.085 2.427 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.915 -6.047 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.136 -4.118 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.026 -5.642 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.169 -4.899 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.648 -4.114 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.520 -4.895 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.742 -5.635 0.688 1.00 0.00 H new ATOM 902 N SER A 57 -8.383 -10.400 1.155 1.00 0.00 N ATOM 903 CA SER A 57 -8.620 -11.700 1.758 1.00 0.00 C ATOM 904 C SER A 57 -7.544 -12.690 1.308 1.00 0.00 C ATOM 905 O SER A 57 -7.055 -13.487 2.107 1.00 0.00 O ATOM 906 CB SER A 57 -10.010 -12.229 1.399 1.00 0.00 C ATOM 907 OG SER A 57 -10.329 -13.421 2.111 1.00 0.00 O ATOM 0 H SER A 57 -9.119 -10.082 0.524 1.00 0.00 H new ATOM 0 HA SER A 57 -8.572 -11.588 2.841 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.756 -11.465 1.618 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.058 -12.423 0.328 1.00 0.00 H new ATOM 0 HG SER A 57 -11.225 -13.725 1.855 1.00 0.00 H new ATOM 913 N ASP A 58 -7.206 -12.607 0.030 1.00 0.00 N ATOM 914 CA ASP A 58 -6.196 -13.485 -0.536 1.00 0.00 C ATOM 915 C ASP A 58 -4.871 -13.273 0.200 1.00 0.00 C ATOM 916 O ASP A 58 -3.994 -14.135 0.168 1.00 0.00 O ATOM 917 CB ASP A 58 -5.967 -13.180 -2.018 1.00 0.00 C ATOM 918 CG ASP A 58 -6.808 -14.013 -2.987 1.00 0.00 C ATOM 919 OD1 ASP A 58 -7.834 -14.558 -2.525 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.406 -14.088 -4.167 1.00 0.00 O ATOM 0 H ASP A 58 -7.614 -11.945 -0.630 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.545 -14.512 -0.429 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.177 -12.125 -2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.913 -13.338 -2.247 1.00 0.00 H new ATOM 925 N TYR A 59 -4.767 -12.120 0.845 1.00 0.00 N ATOM 926 CA TYR A 59 -3.565 -11.783 1.588 1.00 0.00 C ATOM 927 C TYR A 59 -3.738 -12.084 3.078 1.00 0.00 C ATOM 928 O TYR A 59 -2.787 -11.980 3.851 1.00 0.00 O ATOM 929 CB TYR A 59 -3.363 -10.279 1.403 1.00 0.00 C ATOM 930 CG TYR A 59 -2.812 -9.889 0.031 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.621 -10.428 -0.413 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.504 -8.997 -0.764 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.102 -10.060 -1.705 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.985 -8.630 -2.056 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.809 -9.179 -2.463 1.00 0.00 C ATOM 936 OH TYR A 59 -1.319 -8.833 -3.683 1.00 0.00 O ATOM 0 H TYR A 59 -5.496 -11.407 0.868 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.716 -12.366 1.230 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.316 -9.773 1.557 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.682 -9.917 2.173 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.079 -11.125 0.208 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.435 -8.574 -0.417 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.172 -10.474 -2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.518 -7.934 -2.688 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.801 -9.579 -4.051 1.00 0.00 H new ATOM 946 N ASN A 60 -4.960 -12.450 3.437 1.00 0.00 N ATOM 947 CA ASN A 60 -5.270 -12.767 4.821 1.00 0.00 C ATOM 948 C ASN A 60 -4.876 -11.586 5.710 1.00 0.00 C ATOM 949 O ASN A 60 -4.081 -11.741 6.636 1.00 0.00 O ATOM 950 CB ASN A 60 -4.492 -13.996 5.293 1.00 0.00 C ATOM 951 CG ASN A 60 -4.851 -14.352 6.737 1.00 0.00 C ATOM 952 OD1 ASN A 60 -5.661 -13.704 7.380 1.00 0.00 O ATOM 953 ND2 ASN A 60 -4.205 -15.414 7.210 1.00 0.00 N ATOM 0 H ASN A 60 -5.747 -12.534 2.794 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.339 -12.970 4.889 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.711 -14.842 4.641 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.422 -13.804 5.217 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.375 -15.731 8.164 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.539 -15.911 6.618 1.00 0.00 H new ATOM 960 N ILE A 61 -5.449 -10.434 5.397 1.00 0.00 N ATOM 961 CA ILE A 61 -5.166 -9.227 6.156 1.00 0.00 C ATOM 962 C ILE A 61 -5.970 -9.249 7.457 1.00 0.00 C ATOM 963 O ILE A 61 -7.067 -9.803 7.505 1.00 0.00 O ATOM 964 CB ILE A 61 -5.416 -7.984 5.300 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.294 -7.787 4.279 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.618 -6.746 6.176 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.774 -6.949 3.091 1.00 0.00 C ATOM 0 H ILE A 61 -6.108 -10.310 4.628 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.112 -9.189 6.432 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.339 -8.135 4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.446 -7.296 4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.944 -8.757 3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.794 -5.877 5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.477 -6.899 6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.727 -6.579 6.781 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.957 -6.824 2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.607 -7.455 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.101 -5.971 3.444 1.00 0.00 H new ATOM 979 N GLN A 62 -5.393 -8.640 8.483 1.00 0.00 N ATOM 980 CA GLN A 62 -6.042 -8.582 9.781 1.00 0.00 C ATOM 981 C GLN A 62 -6.816 -7.271 9.931 1.00 0.00 C ATOM 982 O GLN A 62 -6.516 -6.289 9.253 1.00 0.00 O ATOM 983 CB GLN A 62 -5.024 -8.751 10.911 1.00 0.00 C ATOM 984 CG GLN A 62 -4.039 -9.879 10.600 1.00 0.00 C ATOM 985 CD GLN A 62 -4.160 -11.011 11.622 1.00 0.00 C ATOM 986 OE1 GLN A 62 -4.844 -12.000 11.412 1.00 0.00 O ATOM 987 NE2 GLN A 62 -3.461 -10.811 12.734 1.00 0.00 N ATOM 0 H GLN A 62 -4.482 -8.182 8.441 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.750 -9.408 9.848 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.479 -7.818 11.057 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.544 -8.965 11.844 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.229 -10.266 9.599 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.021 -9.489 10.603 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.910 -9.960 12.844 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.476 -11.509 13.478 1.00 0.00 H new ATOM 996 N LYS A 63 -7.795 -7.297 10.823 1.00 0.00 N ATOM 997 CA LYS A 63 -8.613 -6.123 11.070 1.00 0.00 C ATOM 998 C LYS A 63 -7.706 -4.919 11.335 1.00 0.00 C ATOM 999 O LYS A 63 -6.825 -4.980 12.193 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.618 -6.395 12.192 1.00 0.00 C ATOM 1001 CG LYS A 63 -8.939 -7.078 13.381 1.00 0.00 C ATOM 1002 CD LYS A 63 -9.214 -6.319 14.680 1.00 0.00 C ATOM 1003 CE LYS A 63 -8.292 -6.798 15.801 1.00 0.00 C ATOM 1004 NZ LYS A 63 -8.659 -8.167 16.226 1.00 0.00 N ATOM 0 H LYS A 63 -8.040 -8.113 11.384 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.210 -5.884 10.190 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.070 -5.457 12.516 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.425 -7.025 11.818 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.300 -8.103 13.471 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.864 -7.133 13.208 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.071 -5.251 14.518 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.254 -6.460 14.975 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.257 -6.782 15.460 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.358 -6.117 16.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.022 -8.476 16.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.640 -8.172 16.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.573 -8.816 15.418 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.951 -3.855 10.585 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.166 -2.641 10.730 1.00 0.00 C ATOM 1020 C GLU A 64 -5.672 -2.970 10.720 1.00 0.00 C ATOM 1021 O GLU A 64 -4.924 -2.506 11.579 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.553 -1.886 12.004 1.00 0.00 C ATOM 1023 CG GLU A 64 -7.243 -2.719 13.250 1.00 0.00 C ATOM 1024 CD GLU A 64 -7.315 -1.861 14.513 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -6.464 -0.952 14.632 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -8.218 -2.132 15.333 1.00 0.00 O ATOM 0 H GLU A 64 -8.682 -3.808 9.875 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.380 -1.990 9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.012 -0.941 12.050 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.615 -1.644 11.979 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.951 -3.544 13.326 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.250 -3.158 13.160 1.00 0.00 H new ATOM 1033 N SER A 65 -5.281 -3.770 9.737 1.00 0.00 N ATOM 1034 CA SER A 65 -3.890 -4.166 9.605 1.00 0.00 C ATOM 1035 C SER A 65 -3.023 -2.942 9.303 1.00 0.00 C ATOM 1036 O SER A 65 -3.542 -1.850 9.076 1.00 0.00 O ATOM 1037 CB SER A 65 -3.720 -5.221 8.509 1.00 0.00 C ATOM 1038 OG SER A 65 -2.403 -5.765 8.492 1.00 0.00 O ATOM 0 H SER A 65 -5.903 -4.154 9.026 1.00 0.00 H new ATOM 0 HA SER A 65 -3.569 -4.606 10.549 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.442 -6.023 8.663 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.941 -4.775 7.539 1.00 0.00 H new ATOM 0 HG SER A 65 -2.027 -5.684 7.590 1.00 0.00 H new ATOM 1044 N THR A 66 -1.717 -3.165 9.310 1.00 0.00 N ATOM 1045 CA THR A 66 -0.773 -2.094 9.040 1.00 0.00 C ATOM 1046 C THR A 66 -0.188 -2.240 7.634 1.00 0.00 C ATOM 1047 O THR A 66 0.631 -3.124 7.388 1.00 0.00 O ATOM 1048 CB THR A 66 0.286 -2.107 10.144 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.325 -1.405 11.222 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.509 -1.258 9.791 1.00 0.00 C ATOM 0 H THR A 66 -1.290 -4.072 9.498 1.00 0.00 H new ATOM 0 HA THR A 66 -1.264 -1.121 9.053 1.00 0.00 H new ATOM 0 HB THR A 66 0.599 -3.134 10.334 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.294 -1.368 11.981 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.230 -1.301 10.607 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.968 -1.643 8.880 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.201 -0.224 9.633 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.631 -1.360 6.749 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.162 -1.379 5.374 1.00 0.00 C ATOM 1060 C LEU A 67 0.739 -0.167 5.129 1.00 0.00 C ATOM 1061 O LEU A 67 0.500 0.908 5.676 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.343 -1.474 4.406 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.005 -2.847 4.287 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.945 -3.107 5.466 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.718 -2.998 2.942 1.00 0.00 C ATOM 0 H LEU A 67 -1.310 -0.628 6.957 1.00 0.00 H new ATOM 0 HA LEU A 67 0.443 -2.267 5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.100 -0.754 4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.001 -1.171 3.416 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.224 -3.606 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.403 -4.090 5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.379 -3.072 6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.724 -2.345 5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.180 -3.983 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.487 -2.231 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.996 -2.887 2.133 1.00 0.00 H new ATOM 1077 N HIS A 68 1.755 -0.382 4.307 1.00 0.00 N ATOM 1078 CA HIS A 68 2.692 0.679 3.982 1.00 0.00 C ATOM 1079 C HIS A 68 2.450 1.160 2.550 1.00 0.00 C ATOM 1080 O HIS A 68 2.638 0.404 1.598 1.00 0.00 O ATOM 1081 CB HIS A 68 4.133 0.223 4.218 1.00 0.00 C ATOM 1082 CG HIS A 68 4.751 0.770 5.483 1.00 0.00 C ATOM 1083 ND1 HIS A 68 4.659 2.102 5.847 1.00 0.00 N ATOM 1084 CD2 HIS A 68 5.471 0.152 6.463 1.00 0.00 C ATOM 1085 CE1 HIS A 68 5.297 2.267 6.996 1.00 0.00 C ATOM 1086 NE2 HIS A 68 5.801 1.057 7.376 1.00 0.00 N ATOM 0 H HIS A 68 1.950 -1.276 3.856 1.00 0.00 H new ATOM 0 HA HIS A 68 2.527 1.528 4.645 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.157 -0.866 4.256 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.743 0.526 3.367 1.00 0.00 H new ATOM 0 HD2 HIS A 68 5.729 -0.896 6.491 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.400 3.196 7.537 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.342 0.878 8.222 1.00 0.00 H new ATOM 1094 N LEU A 69 2.035 2.413 2.442 1.00 0.00 N ATOM 1095 CA LEU A 69 1.765 3.003 1.141 1.00 0.00 C ATOM 1096 C LEU A 69 2.933 3.908 0.744 1.00 0.00 C ATOM 1097 O LEU A 69 3.095 4.996 1.294 1.00 0.00 O ATOM 1098 CB LEU A 69 0.411 3.714 1.147 1.00 0.00 C ATOM 1099 CG LEU A 69 0.149 4.668 -0.020 1.00 0.00 C ATOM 1100 CD1 LEU A 69 -0.977 4.145 -0.914 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -0.129 6.085 0.482 1.00 0.00 C ATOM 0 H LEU A 69 1.879 3.037 3.234 1.00 0.00 H new ATOM 0 HA LEU A 69 1.689 2.227 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.374 2.958 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.322 4.276 2.077 1.00 0.00 H new ATOM 0 HG LEU A 69 1.050 4.715 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.143 4.842 -1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.700 3.170 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.892 4.050 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.312 6.743 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.006 6.076 1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.732 6.448 1.043 1.00 0.00 H new ATOM 1113 N VAL A 70 3.717 3.425 -0.209 1.00 0.00 N ATOM 1114 CA VAL A 70 4.865 4.177 -0.686 1.00 0.00 C ATOM 1115 C VAL A 70 4.637 4.574 -2.147 1.00 0.00 C ATOM 1116 O VAL A 70 3.992 3.846 -2.899 1.00 0.00 O ATOM 1117 CB VAL A 70 6.145 3.364 -0.481 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.383 4.195 -0.823 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.226 2.820 0.946 1.00 0.00 C ATOM 0 H VAL A 70 3.580 2.522 -0.663 1.00 0.00 H new ATOM 0 HA VAL A 70 4.984 5.097 -0.113 1.00 0.00 H new ATOM 0 HB VAL A 70 6.115 2.513 -1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.279 3.594 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.333 4.511 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.421 5.074 -0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.145 2.246 1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.222 3.650 1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.368 2.176 1.139 1.00 0.00 H new ATOM 1129 N LEU A 71 5.178 5.729 -2.503 1.00 0.00 N ATOM 1130 CA LEU A 71 5.042 6.234 -3.859 1.00 0.00 C ATOM 1131 C LEU A 71 6.109 5.589 -4.747 1.00 0.00 C ATOM 1132 O LEU A 71 7.175 5.209 -4.266 1.00 0.00 O ATOM 1133 CB LEU A 71 5.076 7.763 -3.869 1.00 0.00 C ATOM 1134 CG LEU A 71 3.881 8.464 -3.219 1.00 0.00 C ATOM 1135 CD1 LEU A 71 2.662 8.439 -4.143 1.00 0.00 C ATOM 1136 CD2 LEU A 71 3.572 7.864 -1.846 1.00 0.00 C ATOM 0 H LEU A 71 5.712 6.331 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 71 4.072 5.958 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.984 8.090 -3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.150 8.098 -4.903 1.00 0.00 H new ATOM 0 HG LEU A 71 4.144 9.510 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.827 8.944 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.902 8.950 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.388 7.406 -4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.719 8.381 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.338 6.805 -1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.439 7.978 -1.196 1.00 0.00 H new ATOM 1148 N ARG A 72 5.785 5.487 -6.027 1.00 0.00 N ATOM 1149 CA ARG A 72 6.700 4.895 -6.987 1.00 0.00 C ATOM 1150 C ARG A 72 7.598 5.974 -7.598 1.00 0.00 C ATOM 1151 O ARG A 72 7.359 7.165 -7.408 1.00 0.00 O ATOM 1152 CB ARG A 72 5.942 4.179 -8.105 1.00 0.00 C ATOM 1153 CG ARG A 72 6.672 2.905 -8.535 1.00 0.00 C ATOM 1154 CD ARG A 72 6.617 2.728 -10.054 1.00 0.00 C ATOM 1155 NE ARG A 72 7.677 1.793 -10.494 1.00 0.00 N ATOM 1156 CZ ARG A 72 7.668 0.476 -10.245 1.00 0.00 C ATOM 1157 NH1 ARG A 72 6.654 -0.069 -9.560 1.00 0.00 N ATOM 1158 NH2 ARG A 72 8.672 -0.294 -10.683 1.00 0.00 N ATOM 0 H ARG A 72 4.900 5.805 -6.422 1.00 0.00 H new ATOM 0 HA ARG A 72 7.311 4.165 -6.455 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.937 3.929 -7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.833 4.846 -8.960 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.711 2.949 -8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.220 2.041 -8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.639 2.347 -10.349 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.745 3.692 -10.546 1.00 0.00 H new ATOM 0 HE ARG A 72 8.463 2.175 -11.020 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.889 0.518 -9.228 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.647 -1.071 -9.370 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.443 0.122 -11.206 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.666 -1.296 -10.494 1.00 0.00 H new ATOM 1172 N LEU A 73 8.611 5.517 -8.320 1.00 0.00 N ATOM 1173 CA LEU A 73 9.544 6.428 -8.960 1.00 0.00 C ATOM 1174 C LEU A 73 8.925 6.957 -10.257 1.00 0.00 C ATOM 1175 O LEU A 73 8.708 8.159 -10.398 1.00 0.00 O ATOM 1176 CB LEU A 73 10.902 5.751 -9.159 1.00 0.00 C ATOM 1177 CG LEU A 73 12.053 6.296 -8.312 1.00 0.00 C ATOM 1178 CD1 LEU A 73 12.840 5.158 -7.658 1.00 0.00 C ATOM 1179 CD2 LEU A 73 12.955 7.215 -9.138 1.00 0.00 C ATOM 0 H LEU A 73 8.806 4.528 -8.476 1.00 0.00 H new ATOM 0 HA LEU A 73 9.734 7.291 -8.321 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.791 4.688 -8.944 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.178 5.837 -10.210 1.00 0.00 H new ATOM 0 HG LEU A 73 11.629 6.898 -7.508 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.652 5.573 -7.062 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.177 4.580 -7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.252 4.509 -8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 73 13.765 7.589 -8.512 1.00 0.00 H new ATOM 0 HD22 LEU A 73 13.372 6.657 -9.977 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.371 8.055 -9.515 1.00 0.00 H new ATOM 1191 N ARG A 74 8.660 6.033 -11.168 1.00 0.00 N ATOM 1192 CA ARG A 74 8.071 6.391 -12.447 1.00 0.00 C ATOM 1193 C ARG A 74 6.544 6.348 -12.359 1.00 0.00 C ATOM 1194 O ARG A 74 5.972 6.588 -11.297 1.00 0.00 O ATOM 1195 CB ARG A 74 8.539 5.446 -13.554 1.00 0.00 C ATOM 1196 CG ARG A 74 8.707 6.192 -14.879 1.00 0.00 C ATOM 1197 CD ARG A 74 8.302 5.309 -16.062 1.00 0.00 C ATOM 1198 NE ARG A 74 9.466 4.523 -16.528 1.00 0.00 N ATOM 1199 CZ ARG A 74 10.509 5.044 -17.190 1.00 0.00 C ATOM 1200 NH1 ARG A 74 10.538 6.355 -17.465 1.00 0.00 N ATOM 1201 NH2 ARG A 74 11.520 4.255 -17.575 1.00 0.00 N ATOM 0 H ARG A 74 8.842 5.037 -11.046 1.00 0.00 H new ATOM 0 HA ARG A 74 8.396 7.403 -12.689 1.00 0.00 H new ATOM 0 HB2 ARG A 74 9.486 4.987 -13.269 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.817 4.638 -13.677 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.099 7.096 -14.871 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.744 6.507 -14.994 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.495 4.639 -15.767 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.921 5.928 -16.875 1.00 0.00 H new ATOM 0 HE ARG A 74 9.475 3.522 -16.333 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.767 6.955 -17.171 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.331 6.753 -17.969 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.497 3.257 -17.365 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.313 4.652 -18.079 1.00 0.00 H new ATOM 1215 N GLY A 75 5.926 6.038 -13.490 1.00 0.00 N ATOM 1216 CA GLY A 75 4.477 5.959 -13.554 1.00 0.00 C ATOM 1217 C GLY A 75 4.030 4.715 -14.324 1.00 0.00 C ATOM 1218 O GLY A 75 4.645 3.656 -14.211 1.00 0.00 O ATOM 0 H GLY A 75 6.403 5.839 -14.369 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.066 5.934 -12.545 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.081 6.852 -14.038 1.00 0.00 H new ATOM 1222 N GLY A 76 2.961 4.885 -15.090 1.00 0.00 N ATOM 1223 CA GLY A 76 2.425 3.788 -15.878 1.00 0.00 C ATOM 1224 C GLY A 76 1.731 4.308 -17.139 1.00 0.00 C ATOM 1225 O GLY A 76 1.695 3.622 -18.159 1.00 0.00 O ATOM 0 H GLY A 76 2.453 5.765 -15.181 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.230 3.107 -16.156 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.717 3.216 -15.278 1.00 0.00 H new TER 1229 GLY A 76