USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 GLN : amide:sc= -12.8! C(o=-17!,f=-24!) USER MOD Set 1.2: A 41 GLN : amide:sc= -4.27! C(o=-17!,f=-23!) USER MOD Single : A 1 MET CE :methyl 159:sc= -1.27 (180deg=-2.28!) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0314 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 70:sc= -0.786 USER MOD Single : A 9 THR OG1 : rot 1:sc= 0.504! 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 -85:sc= 0.668 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.195 X(o=-0.2,f=0) 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 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -2.56! X(o=-2.6!,f=-2.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.327 K(o=-0.33,f=-1.6!) USER MOD Single : A 55 THR OG1 : rot 135:sc= -0.703 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -22:sc= -1.31 USER MOD Single : A 60 ASN : amide:sc= -3.01! C(o=-3!,f=-2.4!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -17:sc= -4.36! USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 68 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.847 -8.669 10.546 1.00 0.00 N ATOM 2 CA MET A 1 0.117 -7.945 9.735 1.00 0.00 C ATOM 3 C MET A 1 -0.065 -6.433 9.884 1.00 0.00 C ATOM 4 O MET A 1 -1.185 -5.953 10.051 1.00 0.00 O ATOM 5 CB MET A 1 -0.055 -8.337 8.266 1.00 0.00 C ATOM 6 CG MET A 1 1.057 -7.737 7.403 1.00 0.00 C ATOM 7 SD MET A 1 1.800 -9.007 6.394 1.00 0.00 S ATOM 8 CE MET A 1 0.774 -8.885 4.938 1.00 0.00 C ATOM 0 H1 MET A 1 -1.282 -9.423 9.977 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.365 -9.089 11.366 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.585 -8.014 10.876 1.00 0.00 H new ATOM 0 HA MET A 1 1.119 -8.207 10.076 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.046 -9.423 8.173 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.025 -7.994 7.906 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.651 -6.949 6.769 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.814 -7.277 8.039 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.299 -9.316 4.086 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.157 -9.427 5.103 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.553 -7.837 4.735 1.00 0.00 H new ATOM 16 N GLN A 2 1.053 -5.726 9.819 1.00 0.00 N ATOM 17 CA GLN A 2 1.032 -4.278 9.946 1.00 0.00 C ATOM 18 C GLN A 2 2.135 -3.654 9.089 1.00 0.00 C ATOM 19 O GLN A 2 3.303 -3.659 9.474 1.00 0.00 O ATOM 20 CB GLN A 2 1.167 -3.854 11.409 1.00 0.00 C ATOM 21 CG GLN A 2 2.343 -4.565 12.080 1.00 0.00 C ATOM 22 CD GLN A 2 3.065 -3.634 13.056 1.00 0.00 C ATOM 23 OE1 GLN A 2 4.204 -3.246 12.857 1.00 0.00 O ATOM 24 NE2 GLN A 2 2.338 -3.297 14.119 1.00 0.00 N ATOM 0 H GLN A 2 1.980 -6.128 9.680 1.00 0.00 H new ATOM 0 HA GLN A 2 0.070 -3.915 9.585 1.00 0.00 H new ATOM 0 HB2 GLN A 2 1.309 -2.775 11.467 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.246 -4.083 11.944 1.00 0.00 H new ATOM 0 HG2 GLN A 2 1.984 -5.446 12.611 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.043 -4.914 11.320 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.390 -3.658 14.224 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.729 -2.678 14.829 1.00 0.00 H new ATOM 31 N ILE A 3 1.725 -3.131 7.942 1.00 0.00 N ATOM 32 CA ILE A 3 2.664 -2.504 7.028 1.00 0.00 C ATOM 33 C ILE A 3 2.762 -1.011 7.348 1.00 0.00 C ATOM 34 O ILE A 3 2.120 -0.530 8.280 1.00 0.00 O ATOM 35 CB ILE A 3 2.277 -2.798 5.578 1.00 0.00 C ATOM 36 CG1 ILE A 3 0.777 -2.592 5.358 1.00 0.00 C ATOM 37 CG2 ILE A 3 2.729 -4.200 5.163 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.450 -2.491 3.867 1.00 0.00 C ATOM 0 H ILE A 3 0.755 -3.129 7.625 1.00 0.00 H new ATOM 0 HA ILE A 3 3.661 -2.924 7.159 1.00 0.00 H new ATOM 0 HB ILE A 3 2.798 -2.088 4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.224 -3.421 5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.452 -1.685 5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.441 -4.383 4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.812 -4.276 5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.256 -4.941 5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.623 -2.345 3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.986 -1.647 3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.754 -3.410 3.365 1.00 0.00 H new ATOM 49 N PHE A 4 3.570 -0.321 6.557 1.00 0.00 N ATOM 50 CA PHE A 4 3.760 1.107 6.744 1.00 0.00 C ATOM 51 C PHE A 4 3.723 1.846 5.405 1.00 0.00 C ATOM 52 O PHE A 4 3.682 1.219 4.347 1.00 0.00 O ATOM 53 CB PHE A 4 5.139 1.296 7.380 1.00 0.00 C ATOM 54 CG PHE A 4 5.353 0.479 8.656 1.00 0.00 C ATOM 55 CD1 PHE A 4 4.767 0.870 9.820 1.00 0.00 C ATOM 56 CD2 PHE A 4 6.131 -0.637 8.627 1.00 0.00 C ATOM 57 CE1 PHE A 4 4.965 0.112 11.004 1.00 0.00 C ATOM 58 CE2 PHE A 4 6.329 -1.394 9.811 1.00 0.00 C ATOM 59 CZ PHE A 4 5.743 -1.004 10.975 1.00 0.00 C ATOM 0 H PHE A 4 4.101 -0.724 5.785 1.00 0.00 H new ATOM 0 HA PHE A 4 2.964 1.508 7.371 1.00 0.00 H new ATOM 0 HB2 PHE A 4 5.904 1.022 6.653 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.280 2.352 7.609 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.151 1.757 9.843 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.598 -0.947 7.703 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.498 0.421 11.928 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.945 -2.280 9.788 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.895 -1.580 11.876 1.00 0.00 H new ATOM 68 N VAL A 5 3.738 3.168 5.494 1.00 0.00 N ATOM 69 CA VAL A 5 3.708 3.998 4.302 1.00 0.00 C ATOM 70 C VAL A 5 4.700 5.151 4.463 1.00 0.00 C ATOM 71 O VAL A 5 4.798 5.746 5.536 1.00 0.00 O ATOM 72 CB VAL A 5 2.278 4.473 4.032 1.00 0.00 C ATOM 73 CG1 VAL A 5 2.248 5.507 2.906 1.00 0.00 C ATOM 74 CG2 VAL A 5 1.359 3.291 3.716 1.00 0.00 C ATOM 0 H VAL A 5 3.771 3.685 6.373 1.00 0.00 H new ATOM 0 HA VAL A 5 4.017 3.424 3.429 1.00 0.00 H new ATOM 0 HB VAL A 5 1.907 4.953 4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.221 5.828 2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.855 6.368 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.647 5.063 1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.349 3.655 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.727 2.770 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.345 2.604 4.562 1.00 0.00 H new ATOM 84 N LYS A 6 5.410 5.434 3.381 1.00 0.00 N ATOM 85 CA LYS A 6 6.391 6.507 3.390 1.00 0.00 C ATOM 86 C LYS A 6 5.898 7.650 2.502 1.00 0.00 C ATOM 87 O LYS A 6 5.825 7.508 1.282 1.00 0.00 O ATOM 88 CB LYS A 6 7.770 5.974 2.996 1.00 0.00 C ATOM 89 CG LYS A 6 8.668 5.812 4.225 1.00 0.00 C ATOM 90 CD LYS A 6 10.146 5.905 3.841 1.00 0.00 C ATOM 91 CE LYS A 6 11.032 5.974 5.087 1.00 0.00 C ATOM 92 NZ LYS A 6 11.903 7.171 5.037 1.00 0.00 N ATOM 0 H LYS A 6 5.326 4.940 2.493 1.00 0.00 H new ATOM 0 HA LYS A 6 6.505 6.911 4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.662 5.014 2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.238 6.656 2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.430 6.583 4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.472 4.850 4.699 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.425 5.040 3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.310 6.788 3.224 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.410 6.006 5.982 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.643 5.074 5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.498 7.203 5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.509 7.124 4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.314 8.027 4.993 1.00 0.00 H new ATOM 102 N THR A 7 5.571 8.760 3.148 1.00 0.00 N ATOM 103 CA THR A 7 5.087 9.928 2.433 1.00 0.00 C ATOM 104 C THR A 7 6.261 10.771 1.931 1.00 0.00 C ATOM 105 O THR A 7 7.417 10.459 2.208 1.00 0.00 O ATOM 106 CB THR A 7 4.143 10.694 3.362 1.00 0.00 C ATOM 107 OG1 THR A 7 4.840 10.742 4.604 1.00 0.00 O ATOM 108 CG2 THR A 7 2.869 9.906 3.681 1.00 0.00 C ATOM 0 H THR A 7 5.632 8.875 4.160 1.00 0.00 H new ATOM 0 HA THR A 7 4.528 9.642 1.542 1.00 0.00 H new ATOM 0 HB THR A 7 3.877 11.646 2.903 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.613 11.339 4.522 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.234 10.494 4.343 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.331 9.694 2.757 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.134 8.969 4.170 1.00 0.00 H new ATOM 116 N LEU A 8 5.922 11.824 1.201 1.00 0.00 N ATOM 117 CA LEU A 8 6.934 12.715 0.659 1.00 0.00 C ATOM 118 C LEU A 8 7.779 13.278 1.802 1.00 0.00 C ATOM 119 O LEU A 8 8.982 13.478 1.649 1.00 0.00 O ATOM 120 CB LEU A 8 6.286 13.790 -0.217 1.00 0.00 C ATOM 121 CG LEU A 8 6.106 13.435 -1.693 1.00 0.00 C ATOM 122 CD1 LEU A 8 7.382 13.722 -2.487 1.00 0.00 C ATOM 123 CD2 LEU A 8 5.644 11.985 -1.856 1.00 0.00 C ATOM 0 H LEU A 8 4.961 12.080 0.972 1.00 0.00 H new ATOM 0 HA LEU A 8 7.612 12.168 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.308 14.029 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.890 14.695 -0.153 1.00 0.00 H new ATOM 0 HG LEU A 8 5.322 14.071 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.226 13.460 -3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.628 14.781 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.203 13.129 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.524 11.758 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.388 11.315 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.691 11.847 -1.345 1.00 0.00 H new ATOM 134 N THR A 9 7.114 13.518 2.923 1.00 0.00 N ATOM 135 CA THR A 9 7.788 14.055 4.093 1.00 0.00 C ATOM 136 C THR A 9 8.516 12.941 4.847 1.00 0.00 C ATOM 137 O THR A 9 9.330 13.212 5.727 1.00 0.00 O ATOM 138 CB THR A 9 6.748 14.787 4.945 1.00 0.00 C ATOM 139 OG1 THR A 9 7.398 14.976 6.199 1.00 0.00 O ATOM 140 CG2 THR A 9 5.542 13.908 5.278 1.00 0.00 C ATOM 0 H THR A 9 6.115 13.350 3.046 1.00 0.00 H new ATOM 0 HA THR A 9 8.559 14.771 3.810 1.00 0.00 H new ATOM 0 HB THR A 9 6.411 15.681 4.420 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.308 14.615 6.154 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.835 14.475 5.884 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.057 13.591 4.355 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.874 13.031 5.833 1.00 0.00 H new ATOM 148 N GLY A 10 8.195 11.710 4.474 1.00 0.00 N ATOM 149 CA GLY A 10 8.808 10.554 5.104 1.00 0.00 C ATOM 150 C GLY A 10 7.915 9.996 6.214 1.00 0.00 C ATOM 151 O GLY A 10 8.176 8.916 6.742 1.00 0.00 O ATOM 0 H GLY A 10 7.518 11.489 3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.990 9.782 4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.777 10.832 5.518 1.00 0.00 H new ATOM 155 N LYS A 11 6.879 10.758 6.534 1.00 0.00 N ATOM 156 CA LYS A 11 5.944 10.353 7.571 1.00 0.00 C ATOM 157 C LYS A 11 5.675 8.851 7.450 1.00 0.00 C ATOM 158 O LYS A 11 5.382 8.355 6.364 1.00 0.00 O ATOM 159 CB LYS A 11 4.679 11.212 7.518 1.00 0.00 C ATOM 160 CG LYS A 11 4.505 12.012 8.810 1.00 0.00 C ATOM 161 CD LYS A 11 3.028 12.314 9.073 1.00 0.00 C ATOM 162 CE LYS A 11 2.574 13.548 8.290 1.00 0.00 C ATOM 163 NZ LYS A 11 2.608 14.750 9.153 1.00 0.00 N ATOM 0 H LYS A 11 6.666 11.653 6.094 1.00 0.00 H new ATOM 0 HA LYS A 11 6.373 10.522 8.559 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.733 11.893 6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.809 10.575 7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.920 11.452 9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.064 12.945 8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.421 11.455 8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.870 12.477 10.139 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.221 13.696 7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.564 13.394 7.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.297 15.579 8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.973 14.612 9.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.578 14.905 9.495 1.00 0.00 H new ATOM 173 N THR A 12 5.782 8.170 8.582 1.00 0.00 N ATOM 174 CA THR A 12 5.553 6.736 8.617 1.00 0.00 C ATOM 175 C THR A 12 4.145 6.433 9.132 1.00 0.00 C ATOM 176 O THR A 12 3.847 6.662 10.303 1.00 0.00 O ATOM 177 CB THR A 12 6.659 6.100 9.461 1.00 0.00 C ATOM 178 OG1 THR A 12 7.830 6.236 8.659 1.00 0.00 O ATOM 179 CG2 THR A 12 6.486 4.588 9.612 1.00 0.00 C ATOM 0 H THR A 12 6.024 8.585 9.482 1.00 0.00 H new ATOM 0 HA THR A 12 5.599 6.304 7.617 1.00 0.00 H new ATOM 0 HB THR A 12 6.673 6.564 10.447 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.597 5.851 9.132 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.298 4.188 10.220 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.532 4.377 10.096 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.505 4.120 8.628 1.00 0.00 H new ATOM 187 N ILE A 13 3.317 5.922 8.233 1.00 0.00 N ATOM 188 CA ILE A 13 1.948 5.585 8.582 1.00 0.00 C ATOM 189 C ILE A 13 1.787 4.064 8.590 1.00 0.00 C ATOM 190 O ILE A 13 1.980 3.410 7.567 1.00 0.00 O ATOM 191 CB ILE A 13 0.966 6.302 7.653 1.00 0.00 C ATOM 192 CG1 ILE A 13 1.159 7.819 7.715 1.00 0.00 C ATOM 193 CG2 ILE A 13 -0.476 5.894 7.961 1.00 0.00 C ATOM 194 CD1 ILE A 13 2.168 8.286 6.663 1.00 0.00 C ATOM 0 H ILE A 13 3.568 5.733 7.263 1.00 0.00 H new ATOM 0 HA ILE A 13 1.715 5.936 9.587 1.00 0.00 H new ATOM 0 HB ILE A 13 1.177 5.993 6.629 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.203 8.318 7.554 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.505 8.105 8.708 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.154 6.418 7.287 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.587 4.818 7.824 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.716 6.155 8.992 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.287 9.368 6.728 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.129 7.804 6.841 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.807 8.020 5.669 1.00 0.00 H new ATOM 205 N THR A 14 1.436 3.545 9.758 1.00 0.00 N ATOM 206 CA THR A 14 1.248 2.112 9.913 1.00 0.00 C ATOM 207 C THR A 14 -0.126 1.694 9.384 1.00 0.00 C ATOM 208 O THR A 14 -1.111 2.405 9.574 1.00 0.00 O ATOM 209 CB THR A 14 1.462 1.765 11.388 1.00 0.00 C ATOM 210 OG1 THR A 14 2.656 2.459 11.738 1.00 0.00 O ATOM 211 CG2 THR A 14 1.813 0.290 11.597 1.00 0.00 C ATOM 0 H THR A 14 1.277 4.091 10.605 1.00 0.00 H new ATOM 0 HA THR A 14 1.973 1.551 9.323 1.00 0.00 H new ATOM 0 HB THR A 14 0.562 2.008 11.953 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.434 1.913 11.499 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.954 0.097 12.660 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.003 -0.334 11.219 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.732 0.055 11.060 1.00 0.00 H new ATOM 219 N LEU A 15 -0.146 0.543 8.729 1.00 0.00 N ATOM 220 CA LEU A 15 -1.381 0.022 8.170 1.00 0.00 C ATOM 221 C LEU A 15 -1.504 -1.465 8.512 1.00 0.00 C ATOM 222 O LEU A 15 -0.537 -2.215 8.393 1.00 0.00 O ATOM 223 CB LEU A 15 -1.457 0.315 6.670 1.00 0.00 C ATOM 224 CG LEU A 15 -1.758 1.765 6.285 1.00 0.00 C ATOM 225 CD1 LEU A 15 -2.912 2.326 7.120 1.00 0.00 C ATOM 226 CD2 LEU A 15 -0.502 2.632 6.387 1.00 0.00 C ATOM 0 H LEU A 15 0.674 -0.044 8.573 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.240 0.525 8.614 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.509 0.028 6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.225 -0.323 6.234 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.077 1.782 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.105 3.358 6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.807 1.727 6.952 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.646 2.293 8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.744 3.657 6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.129 2.613 7.411 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.263 2.244 5.715 1.00 0.00 H new ATOM 237 N GLU A 16 -2.702 -1.845 8.931 1.00 0.00 N ATOM 238 CA GLU A 16 -2.964 -3.229 9.291 1.00 0.00 C ATOM 239 C GLU A 16 -3.835 -3.899 8.227 1.00 0.00 C ATOM 240 O GLU A 16 -5.025 -4.125 8.446 1.00 0.00 O ATOM 241 CB GLU A 16 -3.617 -3.321 10.672 1.00 0.00 C ATOM 242 CG GLU A 16 -2.567 -3.237 11.782 1.00 0.00 C ATOM 243 CD GLU A 16 -2.479 -1.817 12.347 1.00 0.00 C ATOM 244 OE1 GLU A 16 -2.045 -0.929 11.583 1.00 0.00 O ATOM 245 OE2 GLU A 16 -2.849 -1.653 13.529 1.00 0.00 O ATOM 0 H GLU A 16 -3.502 -1.220 9.029 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.012 -3.758 9.339 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.341 -2.515 10.790 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.167 -4.259 10.757 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.820 -3.935 12.580 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.595 -3.538 11.392 1.00 0.00 H new ATOM 250 N VAL A 17 -3.209 -4.199 7.098 1.00 0.00 N ATOM 251 CA VAL A 17 -3.913 -4.839 6.000 1.00 0.00 C ATOM 252 C VAL A 17 -3.425 -6.282 5.860 1.00 0.00 C ATOM 253 O VAL A 17 -2.254 -6.572 6.101 1.00 0.00 O ATOM 254 CB VAL A 17 -3.736 -4.021 4.718 1.00 0.00 C ATOM 255 CG1 VAL A 17 -4.648 -2.793 4.722 1.00 0.00 C ATOM 256 CG2 VAL A 17 -2.273 -3.617 4.523 1.00 0.00 C ATOM 0 H VAL A 17 -2.222 -4.011 6.920 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.984 -4.876 6.202 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.025 -4.650 3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.503 -2.229 3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.688 -3.112 4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.404 -2.161 5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.175 -3.037 3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.946 -3.014 5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.654 -4.512 4.455 1.00 0.00 H new ATOM 266 N GLU A 18 -4.348 -7.150 5.471 1.00 0.00 N ATOM 267 CA GLU A 18 -4.027 -8.556 5.295 1.00 0.00 C ATOM 268 C GLU A 18 -3.288 -8.771 3.973 1.00 0.00 C ATOM 269 O GLU A 18 -3.379 -7.946 3.065 1.00 0.00 O ATOM 270 CB GLU A 18 -5.287 -9.419 5.365 1.00 0.00 C ATOM 271 CG GLU A 18 -6.237 -9.098 4.209 1.00 0.00 C ATOM 272 CD GLU A 18 -7.683 -9.439 4.576 1.00 0.00 C ATOM 273 OE1 GLU A 18 -8.034 -9.224 5.757 1.00 0.00 O ATOM 274 OE2 GLU A 18 -8.403 -9.906 3.669 1.00 0.00 O ATOM 0 H GLU A 18 -5.318 -6.906 5.273 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.371 -8.863 6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.012 -10.473 5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.795 -9.251 6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.162 -8.041 3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.941 -9.660 3.323 1.00 0.00 H new ATOM 279 N PRO A 19 -2.554 -9.914 3.904 1.00 0.00 N ATOM 280 CA PRO A 19 -1.800 -10.248 2.708 1.00 0.00 C ATOM 281 C PRO A 19 -2.728 -10.735 1.594 1.00 0.00 C ATOM 282 O PRO A 19 -2.293 -10.934 0.460 1.00 0.00 O ATOM 283 CB PRO A 19 -0.802 -11.304 3.154 1.00 0.00 C ATOM 284 CG PRO A 19 -1.339 -11.858 4.465 1.00 0.00 C ATOM 285 CD PRO A 19 -2.423 -10.914 4.959 1.00 0.00 C ATOM 0 HA PRO A 19 -1.285 -9.387 2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.707 -12.092 2.407 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.189 -10.872 3.290 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.742 -12.860 4.320 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.539 -11.940 5.201 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.363 -11.442 5.123 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.146 -10.454 5.908 1.00 0.00 H new ATOM 290 N SER A 20 -3.991 -10.915 1.954 1.00 0.00 N ATOM 291 CA SER A 20 -4.983 -11.375 0.998 1.00 0.00 C ATOM 292 C SER A 20 -5.812 -10.192 0.493 1.00 0.00 C ATOM 293 O SER A 20 -6.622 -10.342 -0.419 1.00 0.00 O ATOM 294 CB SER A 20 -5.896 -12.435 1.620 1.00 0.00 C ATOM 295 OG SER A 20 -5.194 -13.641 1.910 1.00 0.00 O ATOM 0 H SER A 20 -4.349 -10.750 2.895 1.00 0.00 H new ATOM 0 HA SER A 20 -4.461 -11.830 0.156 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.336 -12.042 2.537 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.719 -12.650 0.938 1.00 0.00 H new ATOM 0 HG SER A 20 -5.811 -14.291 2.307 1.00 0.00 H new ATOM 300 N ASP A 21 -5.579 -9.042 1.108 1.00 0.00 N ATOM 301 CA ASP A 21 -6.293 -7.834 0.732 1.00 0.00 C ATOM 302 C ASP A 21 -5.750 -7.321 -0.603 1.00 0.00 C ATOM 303 O ASP A 21 -4.993 -8.016 -1.277 1.00 0.00 O ATOM 304 CB ASP A 21 -6.100 -6.732 1.777 1.00 0.00 C ATOM 305 CG ASP A 21 -7.347 -6.391 2.596 1.00 0.00 C ATOM 306 OD1 ASP A 21 -8.446 -6.443 2.002 1.00 0.00 O ATOM 307 OD2 ASP A 21 -7.172 -6.088 3.795 1.00 0.00 O ATOM 0 H ASP A 21 -4.905 -8.921 1.864 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.353 -8.078 0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.307 -7.035 2.460 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.758 -5.829 1.272 1.00 0.00 H new ATOM 311 N THR A 22 -6.158 -6.107 -0.943 1.00 0.00 N ATOM 312 CA THR A 22 -5.722 -5.492 -2.185 1.00 0.00 C ATOM 313 C THR A 22 -5.084 -4.128 -1.910 1.00 0.00 C ATOM 314 O THR A 22 -5.160 -3.617 -0.793 1.00 0.00 O ATOM 315 CB THR A 22 -6.926 -5.420 -3.125 1.00 0.00 C ATOM 316 OG1 THR A 22 -7.326 -6.779 -3.282 1.00 0.00 O ATOM 317 CG2 THR A 22 -6.540 -4.979 -4.539 1.00 0.00 C ATOM 0 H THR A 22 -6.786 -5.533 -0.380 1.00 0.00 H new ATOM 0 HA THR A 22 -4.948 -6.087 -2.670 1.00 0.00 H new ATOM 0 HB THR A 22 -7.663 -4.728 -2.718 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.104 -6.825 -3.877 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.431 -4.945 -5.165 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.085 -3.989 -4.500 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.828 -5.689 -4.960 1.00 0.00 H new ATOM 325 N ILE A 23 -4.468 -3.578 -2.947 1.00 0.00 N ATOM 326 CA ILE A 23 -3.818 -2.284 -2.831 1.00 0.00 C ATOM 327 C ILE A 23 -4.874 -1.209 -2.572 1.00 0.00 C ATOM 328 O ILE A 23 -4.733 -0.403 -1.653 1.00 0.00 O ATOM 329 CB ILE A 23 -2.949 -2.010 -4.060 1.00 0.00 C ATOM 330 CG1 ILE A 23 -1.622 -2.766 -3.973 1.00 0.00 C ATOM 331 CG2 ILE A 23 -2.740 -0.508 -4.260 1.00 0.00 C ATOM 332 CD1 ILE A 23 -0.914 -2.481 -2.647 1.00 0.00 C ATOM 0 H ILE A 23 -4.406 -4.005 -3.871 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.138 -2.274 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.475 -2.382 -4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.802 -3.837 -4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.978 -2.475 -4.803 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.119 -0.341 -5.140 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.705 -0.022 -4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.246 -0.089 -3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.027 -3.031 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.713 -1.413 -2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.550 -2.796 -1.820 1.00 0.00 H new ATOM 343 N GLU A 24 -5.910 -1.230 -3.399 1.00 0.00 N ATOM 344 CA GLU A 24 -6.989 -0.266 -3.270 1.00 0.00 C ATOM 345 C GLU A 24 -7.573 -0.308 -1.856 1.00 0.00 C ATOM 346 O GLU A 24 -8.169 0.666 -1.398 1.00 0.00 O ATOM 347 CB GLU A 24 -8.074 -0.516 -4.319 1.00 0.00 C ATOM 348 CG GLU A 24 -8.716 -1.891 -4.128 1.00 0.00 C ATOM 349 CD GLU A 24 -10.206 -1.854 -4.476 1.00 0.00 C ATOM 350 OE1 GLU A 24 -10.889 -0.951 -3.949 1.00 0.00 O ATOM 351 OE2 GLU A 24 -10.626 -2.732 -5.261 1.00 0.00 O ATOM 0 H GLU A 24 -6.024 -1.899 -4.160 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.583 0.730 -3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.838 0.259 -4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.642 -0.448 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.210 -2.623 -4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.588 -2.216 -3.095 1.00 0.00 H new ATOM 356 N ASN A 25 -7.380 -1.445 -1.205 1.00 0.00 N ATOM 357 CA ASN A 25 -7.881 -1.627 0.147 1.00 0.00 C ATOM 358 C ASN A 25 -6.903 -0.991 1.138 1.00 0.00 C ATOM 359 O ASN A 25 -7.302 -0.557 2.217 1.00 0.00 O ATOM 360 CB ASN A 25 -8.006 -3.112 0.494 1.00 0.00 C ATOM 361 CG ASN A 25 -9.460 -3.575 0.401 1.00 0.00 C ATOM 362 OD1 ASN A 25 -10.109 -3.872 1.391 1.00 0.00 O ATOM 363 ND2 ASN A 25 -9.936 -3.621 -0.840 1.00 0.00 N ATOM 0 H ASN A 25 -6.884 -2.250 -1.588 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.863 -1.159 0.208 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.389 -3.701 -0.184 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.628 -3.287 1.501 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.897 -3.918 -1.007 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.340 -3.359 -1.625 1.00 0.00 H new ATOM 369 N VAL A 26 -5.641 -0.956 0.735 1.00 0.00 N ATOM 370 CA VAL A 26 -4.603 -0.382 1.574 1.00 0.00 C ATOM 371 C VAL A 26 -4.662 1.144 1.477 1.00 0.00 C ATOM 372 O VAL A 26 -4.617 1.836 2.492 1.00 0.00 O ATOM 373 CB VAL A 26 -3.238 -0.952 1.183 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.112 -0.247 1.941 1.00 0.00 C ATOM 375 CG2 VAL A 26 -3.190 -2.465 1.412 1.00 0.00 C ATOM 0 H VAL A 26 -5.314 -1.316 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.765 -0.649 2.618 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.091 -0.769 0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.153 -0.671 1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.126 0.817 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.254 -0.384 3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.209 -2.845 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.370 -2.679 2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.957 -2.949 0.807 1.00 0.00 H new ATOM 385 N LYS A 27 -4.765 1.624 0.246 1.00 0.00 N ATOM 386 CA LYS A 27 -4.830 3.055 0.004 1.00 0.00 C ATOM 387 C LYS A 27 -6.074 3.627 0.688 1.00 0.00 C ATOM 388 O LYS A 27 -5.998 4.652 1.364 1.00 0.00 O ATOM 389 CB LYS A 27 -4.765 3.348 -1.497 1.00 0.00 C ATOM 390 CG LYS A 27 -3.394 2.984 -2.068 1.00 0.00 C ATOM 391 CD LYS A 27 -3.512 2.498 -3.514 1.00 0.00 C ATOM 392 CE LYS A 27 -3.519 3.677 -4.489 1.00 0.00 C ATOM 393 NZ LYS A 27 -4.662 3.571 -5.423 1.00 0.00 N ATOM 0 H LYS A 27 -4.805 1.047 -0.594 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.966 3.555 0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.540 2.783 -2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.968 4.404 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.736 3.852 -2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.936 2.207 -1.456 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.680 1.833 -3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.427 1.917 -3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.580 4.614 -3.935 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.584 3.698 -5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.652 4.379 -6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.587 2.686 -5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.552 3.573 -4.884 1.00 0.00 H new ATOM 403 N ALA A 28 -7.189 2.939 0.490 1.00 0.00 N ATOM 404 CA ALA A 28 -8.446 3.366 1.080 1.00 0.00 C ATOM 405 C ALA A 28 -8.238 3.637 2.571 1.00 0.00 C ATOM 406 O ALA A 28 -8.929 4.472 3.156 1.00 0.00 O ATOM 407 CB ALA A 28 -9.517 2.302 0.825 1.00 0.00 C ATOM 0 H ALA A 28 -7.248 2.089 -0.071 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.790 4.293 0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.460 2.622 1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.647 2.167 -0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.207 1.359 1.274 1.00 0.00 H new ATOM 413 N LYS A 29 -7.284 2.919 3.144 1.00 0.00 N ATOM 414 CA LYS A 29 -6.977 3.073 4.556 1.00 0.00 C ATOM 415 C LYS A 29 -6.178 4.362 4.762 1.00 0.00 C ATOM 416 O LYS A 29 -6.282 5.000 5.808 1.00 0.00 O ATOM 417 CB LYS A 29 -6.276 1.822 5.091 1.00 0.00 C ATOM 418 CG LYS A 29 -7.257 0.654 5.213 1.00 0.00 C ATOM 419 CD LYS A 29 -6.633 -0.508 5.988 1.00 0.00 C ATOM 420 CE LYS A 29 -7.217 -0.601 7.400 1.00 0.00 C ATOM 421 NZ LYS A 29 -6.609 0.423 8.280 1.00 0.00 N ATOM 0 H LYS A 29 -6.713 2.229 2.656 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.894 3.170 5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.458 1.546 4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.836 2.036 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.164 0.987 5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.551 0.316 4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.810 -1.442 5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.553 -0.373 6.045 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.298 -0.462 7.363 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.037 -1.595 7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.016 0.347 9.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.581 0.273 8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.803 1.370 7.896 1.00 0.00 H new ATOM 431 N ILE A 30 -5.398 4.704 3.748 1.00 0.00 N ATOM 432 CA ILE A 30 -4.581 5.905 3.804 1.00 0.00 C ATOM 433 C ILE A 30 -5.484 7.136 3.688 1.00 0.00 C ATOM 434 O ILE A 30 -5.081 8.241 4.050 1.00 0.00 O ATOM 435 CB ILE A 30 -3.476 5.852 2.749 1.00 0.00 C ATOM 436 CG1 ILE A 30 -2.821 4.469 2.710 1.00 0.00 C ATOM 437 CG2 ILE A 30 -2.450 6.964 2.972 1.00 0.00 C ATOM 438 CD1 ILE A 30 -2.260 4.088 4.082 1.00 0.00 C ATOM 0 H ILE A 30 -5.314 4.171 2.882 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.069 5.973 4.764 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.929 6.023 1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.552 3.725 2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.020 4.463 1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.675 6.903 2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.945 7.933 2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.998 6.849 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.800 3.101 4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.512 4.820 4.385 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.068 4.071 4.813 1.00 0.00 H new ATOM 449 N GLN A 31 -6.686 6.903 3.183 1.00 0.00 N ATOM 450 CA GLN A 31 -7.647 7.979 3.014 1.00 0.00 C ATOM 451 C GLN A 31 -8.153 8.458 4.377 1.00 0.00 C ATOM 452 O GLN A 31 -7.889 9.590 4.778 1.00 0.00 O ATOM 453 CB GLN A 31 -8.810 7.542 2.120 1.00 0.00 C ATOM 454 CG GLN A 31 -8.298 6.853 0.853 1.00 0.00 C ATOM 455 CD GLN A 31 -7.685 7.869 -0.113 1.00 0.00 C ATOM 456 OE1 GLN A 31 -8.351 8.750 -0.633 1.00 0.00 O ATOM 457 NE2 GLN A 31 -6.384 7.698 -0.325 1.00 0.00 N ATOM 0 H GLN A 31 -7.016 5.985 2.885 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.146 8.812 2.520 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.461 6.863 2.670 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.411 8.410 1.849 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.553 6.103 1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.118 6.329 0.363 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.886 6.940 0.142 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.883 8.325 -0.955 1.00 0.00 H new ATOM 464 N ASP A 32 -8.872 7.571 5.050 1.00 0.00 N ATOM 465 CA ASP A 32 -9.417 7.887 6.358 1.00 0.00 C ATOM 466 C ASP A 32 -8.268 8.138 7.338 1.00 0.00 C ATOM 467 O ASP A 32 -8.338 9.047 8.162 1.00 0.00 O ATOM 468 CB ASP A 32 -10.256 6.728 6.901 1.00 0.00 C ATOM 469 CG ASP A 32 -11.587 7.136 7.537 1.00 0.00 C ATOM 470 OD1 ASP A 32 -12.324 7.898 6.873 1.00 0.00 O ATOM 471 OD2 ASP A 32 -11.837 6.679 8.673 1.00 0.00 O ATOM 0 H ASP A 32 -9.089 6.633 4.713 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.047 8.771 6.256 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.458 6.032 6.086 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.667 6.188 7.642 1.00 0.00 H new ATOM 475 N LYS A 33 -7.238 7.314 7.214 1.00 0.00 N ATOM 476 CA LYS A 33 -6.075 7.435 8.078 1.00 0.00 C ATOM 477 C LYS A 33 -5.708 8.913 8.227 1.00 0.00 C ATOM 478 O LYS A 33 -5.897 9.498 9.292 1.00 0.00 O ATOM 479 CB LYS A 33 -4.929 6.566 7.559 1.00 0.00 C ATOM 480 CG LYS A 33 -5.044 5.134 8.085 1.00 0.00 C ATOM 481 CD LYS A 33 -4.634 5.056 9.557 1.00 0.00 C ATOM 482 CE LYS A 33 -3.111 5.029 9.701 1.00 0.00 C ATOM 483 NZ LYS A 33 -2.706 5.579 11.014 1.00 0.00 N ATOM 0 H LYS A 33 -7.184 6.560 6.529 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.301 7.060 9.076 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.939 6.559 6.469 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.975 6.994 7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.069 4.782 7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.412 4.473 7.492 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.039 5.912 10.097 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.062 4.162 10.011 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.748 4.006 9.601 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.653 5.609 8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.670 5.554 11.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.036 6.562 11.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.128 5.008 11.774 1.00 0.00 H new ATOM 493 N GLU A 34 -5.190 9.473 7.144 1.00 0.00 N ATOM 494 CA GLU A 34 -4.794 10.871 7.142 1.00 0.00 C ATOM 495 C GLU A 34 -5.995 11.762 6.817 1.00 0.00 C ATOM 496 O GLU A 34 -6.348 12.644 7.598 1.00 0.00 O ATOM 497 CB GLU A 34 -3.648 11.115 6.157 1.00 0.00 C ATOM 498 CG GLU A 34 -2.379 11.553 6.892 1.00 0.00 C ATOM 499 CD GLU A 34 -2.266 13.078 6.929 1.00 0.00 C ATOM 500 OE1 GLU A 34 -2.886 13.671 7.839 1.00 0.00 O ATOM 501 OE2 GLU A 34 -1.562 13.617 6.048 1.00 0.00 O ATOM 0 H GLU A 34 -5.035 8.984 6.262 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.434 11.128 8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.449 10.205 5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.939 11.880 5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.390 11.161 7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.504 11.132 6.397 1.00 0.00 H new ATOM 506 N GLY A 35 -6.590 11.501 5.662 1.00 0.00 N ATOM 507 CA GLY A 35 -7.744 12.268 5.223 1.00 0.00 C ATOM 508 C GLY A 35 -7.489 12.910 3.859 1.00 0.00 C ATOM 509 O GLY A 35 -7.704 14.108 3.683 1.00 0.00 O ATOM 0 H GLY A 35 -6.294 10.769 5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.617 11.618 5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.971 13.042 5.956 1.00 0.00 H new ATOM 513 N ILE A 36 -7.034 12.084 2.928 1.00 0.00 N ATOM 514 CA ILE A 36 -6.748 12.555 1.583 1.00 0.00 C ATOM 515 C ILE A 36 -7.414 11.625 0.568 1.00 0.00 C ATOM 516 O ILE A 36 -7.509 10.419 0.795 1.00 0.00 O ATOM 517 CB ILE A 36 -5.240 12.711 1.380 1.00 0.00 C ATOM 518 CG1 ILE A 36 -4.689 13.861 2.223 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.900 12.873 -0.103 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.494 13.403 3.064 1.00 0.00 C ATOM 0 H ILE A 36 -6.856 11.091 3.079 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.171 13.548 1.429 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.753 11.798 1.724 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.387 14.681 1.572 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.472 14.245 2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.822 12.982 -0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.237 11.994 -0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.399 13.759 -0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.122 14.241 3.654 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.805 12.599 3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.703 13.043 2.406 1.00 0.00 H new ATOM 531 N PRO A 37 -7.868 12.234 -0.560 1.00 0.00 N ATOM 532 CA PRO A 37 -8.521 11.473 -1.611 1.00 0.00 C ATOM 533 C PRO A 37 -7.503 10.665 -2.417 1.00 0.00 C ATOM 534 O PRO A 37 -6.315 10.984 -2.420 1.00 0.00 O ATOM 535 CB PRO A 37 -9.255 12.508 -2.448 1.00 0.00 C ATOM 536 CG PRO A 37 -8.613 13.844 -2.116 1.00 0.00 C ATOM 537 CD PRO A 37 -7.773 13.659 -0.862 1.00 0.00 C ATOM 0 HA PRO A 37 -9.216 10.729 -1.222 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.165 12.285 -3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.319 12.517 -2.213 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.992 14.185 -2.944 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.377 14.605 -1.955 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.739 13.960 -1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.152 14.265 -0.039 1.00 0.00 H new ATOM 542 N PRO A 38 -8.018 9.606 -3.098 1.00 0.00 N ATOM 543 CA PRO A 38 -7.166 8.751 -3.906 1.00 0.00 C ATOM 544 C PRO A 38 -6.773 9.444 -5.212 1.00 0.00 C ATOM 545 O PRO A 38 -6.056 8.871 -6.032 1.00 0.00 O ATOM 546 CB PRO A 38 -7.977 7.484 -4.127 1.00 0.00 C ATOM 547 CG PRO A 38 -9.421 7.858 -3.832 1.00 0.00 C ATOM 548 CD PRO A 38 -9.419 9.199 -3.117 1.00 0.00 C ATOM 0 HA PRO A 38 -6.218 8.522 -3.420 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.868 7.124 -5.150 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.638 6.684 -3.469 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.996 7.919 -4.756 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.894 7.096 -3.212 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.036 9.928 -3.641 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.819 9.110 -2.107 1.00 0.00 H new ATOM 553 N ASP A 39 -7.259 10.667 -5.365 1.00 0.00 N ATOM 554 CA ASP A 39 -6.967 11.444 -6.557 1.00 0.00 C ATOM 555 C ASP A 39 -5.522 11.944 -6.494 1.00 0.00 C ATOM 556 O ASP A 39 -4.928 12.268 -7.522 1.00 0.00 O ATOM 557 CB ASP A 39 -7.885 12.664 -6.657 1.00 0.00 C ATOM 558 CG ASP A 39 -9.262 12.388 -7.264 1.00 0.00 C ATOM 559 OD1 ASP A 39 -9.297 11.699 -8.305 1.00 0.00 O ATOM 560 OD2 ASP A 39 -10.251 12.875 -6.672 1.00 0.00 O ATOM 0 H ASP A 39 -7.853 11.139 -4.683 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.123 10.802 -7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.021 13.080 -5.659 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.387 13.427 -7.255 1.00 0.00 H new ATOM 564 N GLN A 40 -4.998 11.991 -5.277 1.00 0.00 N ATOM 565 CA GLN A 40 -3.635 12.445 -5.068 1.00 0.00 C ATOM 566 C GLN A 40 -2.798 11.336 -4.427 1.00 0.00 C ATOM 567 O GLN A 40 -1.587 11.268 -4.633 1.00 0.00 O ATOM 568 CB GLN A 40 -3.605 13.715 -4.216 1.00 0.00 C ATOM 569 CG GLN A 40 -4.118 14.919 -5.008 1.00 0.00 C ATOM 570 CD GLN A 40 -5.063 15.772 -4.160 1.00 0.00 C ATOM 571 OE1 GLN A 40 -4.941 16.984 -4.076 1.00 0.00 O ATOM 572 NE2 GLN A 40 -6.008 15.076 -3.537 1.00 0.00 N ATOM 0 H GLN A 40 -5.493 11.722 -4.427 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.201 12.687 -6.038 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.217 13.574 -3.325 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.587 13.906 -3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.276 15.525 -5.341 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.637 14.576 -5.903 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -6.054 14.063 -3.650 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.688 15.554 -2.946 1.00 0.00 H new ATOM 579 N GLN A 41 -3.477 10.493 -3.662 1.00 0.00 N ATOM 580 CA GLN A 41 -2.811 9.391 -2.989 1.00 0.00 C ATOM 581 C GLN A 41 -2.344 8.351 -4.010 1.00 0.00 C ATOM 582 O GLN A 41 -3.002 8.135 -5.027 1.00 0.00 O ATOM 583 CB GLN A 41 -3.727 8.756 -1.940 1.00 0.00 C ATOM 584 CG GLN A 41 -4.096 9.766 -0.851 1.00 0.00 C ATOM 585 CD GLN A 41 -3.870 9.177 0.542 1.00 0.00 C ATOM 586 OE1 GLN A 41 -2.790 8.721 0.885 1.00 0.00 O ATOM 587 NE2 GLN A 41 -4.945 9.210 1.325 1.00 0.00 N ATOM 0 H GLN A 41 -4.481 10.551 -3.494 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.936 9.782 -2.471 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.633 8.386 -2.420 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.230 7.896 -1.490 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.497 10.669 -0.969 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.140 10.059 -0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.818 9.605 0.976 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.896 8.840 2.274 1.00 0.00 H new ATOM 594 N ARG A 42 -1.212 7.734 -3.704 1.00 0.00 N ATOM 595 CA ARG A 42 -0.650 6.723 -4.582 1.00 0.00 C ATOM 596 C ARG A 42 0.342 5.845 -3.814 1.00 0.00 C ATOM 597 O ARG A 42 1.473 6.256 -3.562 1.00 0.00 O ATOM 598 CB ARG A 42 0.064 7.364 -5.774 1.00 0.00 C ATOM 599 CG ARG A 42 0.678 6.297 -6.684 1.00 0.00 C ATOM 600 CD ARG A 42 -0.241 5.993 -7.869 1.00 0.00 C ATOM 601 NE ARG A 42 -0.937 4.705 -7.652 1.00 0.00 N ATOM 602 CZ ARG A 42 -1.791 4.157 -8.528 1.00 0.00 C ATOM 603 NH1 ARG A 42 -2.058 4.780 -9.683 1.00 0.00 N ATOM 604 NH2 ARG A 42 -2.376 2.984 -8.248 1.00 0.00 N ATOM 0 H ARG A 42 -0.669 7.915 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.472 6.111 -4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.642 7.970 -6.343 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.845 8.035 -5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.647 6.638 -7.049 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.855 5.385 -6.113 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.970 6.794 -7.989 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.341 5.951 -8.790 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.756 4.204 -6.782 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.611 5.672 -9.896 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.708 4.363 -10.349 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.171 2.509 -7.369 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.026 2.566 -8.914 1.00 0.00 H new ATOM 615 N LEU A 43 -0.120 4.654 -3.465 1.00 0.00 N ATOM 616 CA LEU A 43 0.713 3.715 -2.731 1.00 0.00 C ATOM 617 C LEU A 43 1.667 3.018 -3.703 1.00 0.00 C ATOM 618 O LEU A 43 1.252 2.569 -4.770 1.00 0.00 O ATOM 619 CB LEU A 43 -0.156 2.749 -1.923 1.00 0.00 C ATOM 620 CG LEU A 43 -0.500 3.187 -0.498 1.00 0.00 C ATOM 621 CD1 LEU A 43 -1.261 2.088 0.246 1.00 0.00 C ATOM 622 CD2 LEU A 43 0.755 3.629 0.258 1.00 0.00 C ATOM 0 H LEU A 43 -1.059 4.317 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 43 1.329 4.241 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.087 2.588 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.355 1.787 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.161 4.052 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.493 2.426 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.187 1.864 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.646 1.190 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.482 3.935 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.460 2.800 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.217 4.467 -0.263 1.00 0.00 H new ATOM 633 N ILE A 44 2.927 2.952 -3.300 1.00 0.00 N ATOM 634 CA ILE A 44 3.944 2.318 -4.122 1.00 0.00 C ATOM 635 C ILE A 44 4.815 1.418 -3.243 1.00 0.00 C ATOM 636 O ILE A 44 5.154 1.782 -2.119 1.00 0.00 O ATOM 637 CB ILE A 44 4.736 3.371 -4.900 1.00 0.00 C ATOM 638 CG1 ILE A 44 4.030 3.733 -6.208 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.176 2.910 -5.134 1.00 0.00 C ATOM 640 CD1 ILE A 44 5.023 4.286 -7.232 1.00 0.00 C ATOM 0 H ILE A 44 3.267 3.327 -2.415 1.00 0.00 H new ATOM 0 HA ILE A 44 3.483 1.679 -4.875 1.00 0.00 H new ATOM 0 HB ILE A 44 4.782 4.278 -4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.536 2.851 -6.615 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.253 4.472 -6.014 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.718 3.676 -5.689 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.665 2.743 -4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.173 1.982 -5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.495 4.535 -8.153 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.498 5.182 -6.832 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.785 3.535 -7.442 1.00 0.00 H new ATOM 651 N PHE A 45 5.151 0.259 -3.790 1.00 0.00 N ATOM 652 CA PHE A 45 5.976 -0.697 -3.070 1.00 0.00 C ATOM 653 C PHE A 45 7.200 -1.097 -3.898 1.00 0.00 C ATOM 654 O PHE A 45 7.090 -1.335 -5.099 1.00 0.00 O ATOM 655 CB PHE A 45 5.114 -1.936 -2.826 1.00 0.00 C ATOM 656 CG PHE A 45 5.717 -2.927 -1.827 1.00 0.00 C ATOM 657 CD1 PHE A 45 6.115 -2.497 -0.599 1.00 0.00 C ATOM 658 CD2 PHE A 45 5.855 -4.236 -2.166 1.00 0.00 C ATOM 659 CE1 PHE A 45 6.675 -3.416 0.327 1.00 0.00 C ATOM 660 CE2 PHE A 45 6.414 -5.155 -1.239 1.00 0.00 C ATOM 661 CZ PHE A 45 6.813 -4.725 -0.012 1.00 0.00 C ATOM 0 H PHE A 45 4.867 -0.040 -4.723 1.00 0.00 H new ATOM 0 HA PHE A 45 6.329 -0.257 -2.137 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.136 -1.620 -2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.952 -2.446 -3.776 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.005 -1.457 -0.329 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.539 -4.577 -3.141 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.992 -3.075 1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.522 -6.195 -1.508 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.239 -5.423 0.693 1.00 0.00 H new ATOM 670 N ALA A 46 8.337 -1.160 -3.221 1.00 0.00 N ATOM 671 CA ALA A 46 9.580 -1.527 -3.877 1.00 0.00 C ATOM 672 C ALA A 46 9.718 -0.733 -5.178 1.00 0.00 C ATOM 673 O ALA A 46 9.985 -1.305 -6.234 1.00 0.00 O ATOM 674 CB ALA A 46 9.607 -3.038 -4.111 1.00 0.00 C ATOM 0 H ALA A 46 8.423 -0.963 -2.224 1.00 0.00 H new ATOM 0 HA ALA A 46 10.434 -1.280 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.540 -3.313 -4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.535 -3.556 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.766 -3.324 -4.742 1.00 0.00 H new ATOM 680 N GLY A 47 9.530 0.573 -5.060 1.00 0.00 N ATOM 681 CA GLY A 47 9.631 1.451 -6.213 1.00 0.00 C ATOM 682 C GLY A 47 8.936 0.838 -7.431 1.00 0.00 C ATOM 683 O GLY A 47 9.471 0.875 -8.539 1.00 0.00 O ATOM 0 H GLY A 47 9.308 1.044 -4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.181 2.416 -5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.680 1.636 -6.443 1.00 0.00 H new ATOM 687 N LYS A 48 7.756 0.288 -7.186 1.00 0.00 N ATOM 688 CA LYS A 48 6.984 -0.332 -8.248 1.00 0.00 C ATOM 689 C LYS A 48 5.527 0.124 -8.147 1.00 0.00 C ATOM 690 O LYS A 48 4.989 0.256 -7.048 1.00 0.00 O ATOM 691 CB LYS A 48 7.156 -1.852 -8.218 1.00 0.00 C ATOM 692 CG LYS A 48 5.951 -2.553 -8.850 1.00 0.00 C ATOM 693 CD LYS A 48 6.073 -4.072 -8.724 1.00 0.00 C ATOM 694 CE LYS A 48 7.093 -4.625 -9.721 1.00 0.00 C ATOM 695 NZ LYS A 48 8.210 -5.284 -9.008 1.00 0.00 N ATOM 0 H LYS A 48 7.316 0.259 -6.266 1.00 0.00 H new ATOM 0 HA LYS A 48 7.352 -0.012 -9.223 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.064 -2.129 -8.753 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.277 -2.188 -7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.035 -2.217 -8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.875 -2.277 -9.902 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.373 -4.333 -7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.101 -4.534 -8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.609 -5.338 -10.388 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.477 -3.817 -10.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.893 -5.654 -9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.682 -4.594 -8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.841 -6.068 -8.433 1.00 0.00 H new ATOM 705 N GLN A 49 4.929 0.351 -9.307 1.00 0.00 N ATOM 706 CA GLN A 49 3.545 0.789 -9.362 1.00 0.00 C ATOM 707 C GLN A 49 2.623 -0.287 -8.783 1.00 0.00 C ATOM 708 O GLN A 49 2.804 -1.473 -9.052 1.00 0.00 O ATOM 709 CB GLN A 49 3.139 1.146 -10.794 1.00 0.00 C ATOM 710 CG GLN A 49 2.357 2.460 -10.831 1.00 0.00 C ATOM 711 CD GLN A 49 3.200 3.584 -11.435 1.00 0.00 C ATOM 712 OE1 GLN A 49 4.080 3.365 -12.251 1.00 0.00 O ATOM 713 NE2 GLN A 49 2.883 4.797 -10.991 1.00 0.00 N ATOM 0 H GLN A 49 5.378 0.240 -10.216 1.00 0.00 H new ATOM 0 HA GLN A 49 3.446 1.689 -8.756 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.029 1.231 -11.418 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.531 0.345 -11.214 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.447 2.329 -11.416 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.050 2.733 -9.821 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.135 4.910 -10.307 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.388 5.614 -11.335 1.00 0.00 H new ATOM 720 N LEU A 50 1.656 0.167 -8.001 1.00 0.00 N ATOM 721 CA LEU A 50 0.706 -0.743 -7.381 1.00 0.00 C ATOM 722 C LEU A 50 -0.679 -0.518 -7.990 1.00 0.00 C ATOM 723 O LEU A 50 -1.109 0.622 -8.161 1.00 0.00 O ATOM 724 CB LEU A 50 0.739 -0.597 -5.859 1.00 0.00 C ATOM 725 CG LEU A 50 1.611 -1.606 -5.107 1.00 0.00 C ATOM 726 CD1 LEU A 50 2.824 -2.014 -5.946 1.00 0.00 C ATOM 727 CD2 LEU A 50 2.019 -1.064 -3.735 1.00 0.00 C ATOM 0 H LEU A 50 1.509 1.152 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 50 0.981 -1.778 -7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.089 0.407 -5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.281 -0.678 -5.484 1.00 0.00 H new ATOM 0 HG LEU A 50 1.021 -2.506 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.427 -2.731 -5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.486 -2.469 -6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.424 -1.132 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.638 -1.800 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.584 -0.141 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.126 -0.864 -3.142 1.00 0.00 H new ATOM 738 N GLU A 51 -1.340 -1.623 -8.302 1.00 0.00 N ATOM 739 CA GLU A 51 -2.667 -1.562 -8.889 1.00 0.00 C ATOM 740 C GLU A 51 -3.691 -2.212 -7.954 1.00 0.00 C ATOM 741 O GLU A 51 -3.322 -2.935 -7.031 1.00 0.00 O ATOM 742 CB GLU A 51 -2.688 -2.221 -10.269 1.00 0.00 C ATOM 743 CG GLU A 51 -2.085 -3.625 -10.215 1.00 0.00 C ATOM 744 CD GLU A 51 -2.561 -4.473 -11.397 1.00 0.00 C ATOM 745 OE1 GLU A 51 -3.788 -4.476 -11.634 1.00 0.00 O ATOM 746 OE2 GLU A 51 -1.687 -5.098 -12.036 1.00 0.00 O ATOM 0 H GLU A 51 -0.980 -2.567 -8.159 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.937 -0.514 -9.020 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.714 -2.276 -10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.130 -1.609 -10.977 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.997 -3.558 -10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.365 -4.109 -9.279 1.00 0.00 H new ATOM 751 N ASP A 52 -4.956 -1.930 -8.228 1.00 0.00 N ATOM 752 CA ASP A 52 -6.035 -2.479 -7.424 1.00 0.00 C ATOM 753 C ASP A 52 -6.364 -3.890 -7.915 1.00 0.00 C ATOM 754 O ASP A 52 -7.245 -4.552 -7.367 1.00 0.00 O ATOM 755 CB ASP A 52 -7.301 -1.628 -7.548 1.00 0.00 C ATOM 756 CG ASP A 52 -7.903 -1.564 -8.953 1.00 0.00 C ATOM 757 OD1 ASP A 52 -7.495 -2.405 -9.783 1.00 0.00 O ATOM 758 OD2 ASP A 52 -8.757 -0.678 -9.164 1.00 0.00 O ATOM 0 H ASP A 52 -5.258 -1.329 -8.995 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.709 -2.491 -6.384 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.053 -2.021 -6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.072 -0.614 -7.221 1.00 0.00 H new ATOM 762 N GLY A 53 -5.640 -4.309 -8.942 1.00 0.00 N ATOM 763 CA GLY A 53 -5.845 -5.630 -9.513 1.00 0.00 C ATOM 764 C GLY A 53 -4.871 -6.644 -8.908 1.00 0.00 C ATOM 765 O GLY A 53 -5.098 -7.851 -8.989 1.00 0.00 O ATOM 0 H GLY A 53 -4.911 -3.757 -9.394 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.870 -5.953 -9.333 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.708 -5.589 -10.594 1.00 0.00 H new ATOM 769 N ARG A 54 -3.808 -6.118 -8.317 1.00 0.00 N ATOM 770 CA ARG A 54 -2.800 -6.963 -7.700 1.00 0.00 C ATOM 771 C ARG A 54 -3.125 -7.182 -6.221 1.00 0.00 C ATOM 772 O ARG A 54 -4.203 -6.815 -5.757 1.00 0.00 O ATOM 773 CB ARG A 54 -1.409 -6.338 -7.823 1.00 0.00 C ATOM 774 CG ARG A 54 -0.675 -6.872 -9.054 1.00 0.00 C ATOM 775 CD ARG A 54 -0.271 -8.336 -8.860 1.00 0.00 C ATOM 776 NE ARG A 54 0.395 -8.843 -10.080 1.00 0.00 N ATOM 777 CZ ARG A 54 0.583 -10.142 -10.347 1.00 0.00 C ATOM 778 NH1 ARG A 54 0.158 -11.074 -9.483 1.00 0.00 N ATOM 779 NH2 ARG A 54 1.197 -10.511 -11.481 1.00 0.00 N ATOM 0 H ARG A 54 -3.623 -5.117 -8.252 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.803 -7.920 -8.222 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.498 -5.254 -7.890 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.828 -6.555 -6.926 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.315 -6.781 -9.931 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.213 -6.268 -9.243 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.399 -8.427 -8.005 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.152 -8.939 -8.639 1.00 0.00 H new ATOM 0 HE ARG A 54 0.732 -8.161 -10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.309 -10.795 -8.621 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.302 -12.063 -9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.521 -9.802 -12.140 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.340 -11.500 -11.685 1.00 0.00 H new ATOM 790 N THR A 55 -2.172 -7.780 -5.522 1.00 0.00 N ATOM 791 CA THR A 55 -2.342 -8.053 -4.105 1.00 0.00 C ATOM 792 C THR A 55 -0.997 -7.972 -3.380 1.00 0.00 C ATOM 793 O THR A 55 0.057 -8.027 -4.012 1.00 0.00 O ATOM 794 CB THR A 55 -3.027 -9.413 -3.965 1.00 0.00 C ATOM 795 OG1 THR A 55 -2.831 -10.033 -5.233 1.00 0.00 O ATOM 796 CG2 THR A 55 -4.548 -9.293 -3.840 1.00 0.00 C ATOM 0 H THR A 55 -1.279 -8.083 -5.911 1.00 0.00 H new ATOM 0 HA THR A 55 -2.976 -7.303 -3.631 1.00 0.00 H new ATOM 0 HB THR A 55 -2.631 -9.930 -3.091 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.544 -10.961 -5.103 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.985 -10.287 -3.743 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.795 -8.701 -2.959 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.949 -8.806 -4.729 1.00 0.00 H new ATOM 804 N LEU A 56 -1.077 -7.844 -2.064 1.00 0.00 N ATOM 805 CA LEU A 56 0.121 -7.755 -1.247 1.00 0.00 C ATOM 806 C LEU A 56 0.932 -9.045 -1.395 1.00 0.00 C ATOM 807 O LEU A 56 2.127 -9.001 -1.681 1.00 0.00 O ATOM 808 CB LEU A 56 -0.241 -7.420 0.202 1.00 0.00 C ATOM 809 CG LEU A 56 -1.448 -6.500 0.395 1.00 0.00 C ATOM 810 CD1 LEU A 56 -1.562 -6.044 1.851 1.00 0.00 C ATOM 811 CD2 LEU A 56 -1.397 -5.316 -0.573 1.00 0.00 C ATOM 0 H LEU A 56 -1.953 -7.800 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 56 0.755 -6.938 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.431 -8.353 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.625 -6.955 0.674 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.349 -7.067 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.428 -5.391 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.679 -6.914 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.660 -5.501 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.267 -4.678 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.488 -4.741 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.400 -5.684 -1.599 1.00 0.00 H new ATOM 822 N SER A 57 0.248 -10.162 -1.193 1.00 0.00 N ATOM 823 CA SER A 57 0.889 -11.461 -1.302 1.00 0.00 C ATOM 824 C SER A 57 1.400 -11.676 -2.728 1.00 0.00 C ATOM 825 O SER A 57 2.271 -12.512 -2.960 1.00 0.00 O ATOM 826 CB SER A 57 -0.073 -12.584 -0.908 1.00 0.00 C ATOM 827 OG SER A 57 0.614 -13.801 -0.631 1.00 0.00 O ATOM 0 H SER A 57 -0.743 -10.194 -0.955 1.00 0.00 H new ATOM 0 HA SER A 57 1.734 -11.484 -0.614 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.644 -12.282 -0.030 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.790 -12.747 -1.713 1.00 0.00 H new ATOM 0 HG SER A 57 -0.034 -14.493 -0.382 1.00 0.00 H new ATOM 832 N ASP A 58 0.836 -10.905 -3.647 1.00 0.00 N ATOM 833 CA ASP A 58 1.223 -11.001 -5.044 1.00 0.00 C ATOM 834 C ASP A 58 2.368 -10.024 -5.319 1.00 0.00 C ATOM 835 O ASP A 58 3.156 -10.229 -6.241 1.00 0.00 O ATOM 836 CB ASP A 58 0.057 -10.635 -5.964 1.00 0.00 C ATOM 837 CG ASP A 58 -0.684 -11.826 -6.576 1.00 0.00 C ATOM 838 OD1 ASP A 58 -0.033 -12.561 -7.350 1.00 0.00 O ATOM 839 OD2 ASP A 58 -1.883 -11.974 -6.256 1.00 0.00 O ATOM 0 H ASP A 58 0.114 -10.211 -3.451 1.00 0.00 H new ATOM 0 HA ASP A 58 1.528 -12.029 -5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.656 -10.034 -5.400 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.434 -10.008 -6.771 1.00 0.00 H new ATOM 843 N TYR A 59 2.423 -8.981 -4.503 1.00 0.00 N ATOM 844 CA TYR A 59 3.458 -7.972 -4.647 1.00 0.00 C ATOM 845 C TYR A 59 4.675 -8.308 -3.783 1.00 0.00 C ATOM 846 O TYR A 59 5.655 -7.566 -3.770 1.00 0.00 O ATOM 847 CB TYR A 59 2.842 -6.662 -4.151 1.00 0.00 C ATOM 848 CG TYR A 59 2.096 -5.878 -5.231 1.00 0.00 C ATOM 849 CD1 TYR A 59 2.673 -5.690 -6.470 1.00 0.00 C ATOM 850 CD2 TYR A 59 0.846 -5.357 -4.966 1.00 0.00 C ATOM 851 CE1 TYR A 59 1.970 -4.951 -7.488 1.00 0.00 C ATOM 852 CE2 TYR A 59 0.143 -4.617 -5.983 1.00 0.00 C ATOM 853 CZ TYR A 59 0.740 -4.451 -7.193 1.00 0.00 C ATOM 854 OH TYR A 59 0.077 -3.753 -8.154 1.00 0.00 O ATOM 0 H TYR A 59 1.767 -8.813 -3.740 1.00 0.00 H new ATOM 0 HA TYR A 59 3.793 -7.911 -5.682 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.153 -6.882 -3.335 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.632 -6.033 -3.740 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.652 -6.097 -6.677 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.394 -5.504 -3.996 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.410 -4.798 -8.463 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.836 -4.204 -5.788 1.00 0.00 H new ATOM 0 HH TYR A 59 0.718 -3.411 -8.811 1.00 0.00 H new ATOM 863 N ASN A 60 4.573 -9.429 -3.083 1.00 0.00 N ATOM 864 CA ASN A 60 5.653 -9.873 -2.219 1.00 0.00 C ATOM 865 C ASN A 60 5.592 -9.105 -0.897 1.00 0.00 C ATOM 866 O ASN A 60 6.460 -9.266 -0.040 1.00 0.00 O ATOM 867 CB ASN A 60 7.017 -9.603 -2.859 1.00 0.00 C ATOM 868 CG ASN A 60 6.986 -9.898 -4.360 1.00 0.00 C ATOM 869 OD1 ASN A 60 6.665 -10.990 -4.797 1.00 0.00 O ATOM 870 ND2 ASN A 60 7.337 -8.866 -5.122 1.00 0.00 N ATOM 0 H ASN A 60 3.758 -10.043 -3.097 1.00 0.00 H new ATOM 0 HA ASN A 60 5.536 -10.944 -2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.300 -8.563 -2.695 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.777 -10.220 -2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.348 -8.962 -6.137 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.595 -7.978 -4.691 1.00 0.00 H new ATOM 876 N ILE A 61 4.557 -8.286 -0.773 1.00 0.00 N ATOM 877 CA ILE A 61 4.371 -7.494 0.431 1.00 0.00 C ATOM 878 C ILE A 61 4.202 -8.427 1.631 1.00 0.00 C ATOM 879 O ILE A 61 3.474 -9.416 1.555 1.00 0.00 O ATOM 880 CB ILE A 61 3.214 -6.509 0.249 1.00 0.00 C ATOM 881 CG1 ILE A 61 3.616 -5.353 -0.668 1.00 0.00 C ATOM 882 CG2 ILE A 61 2.697 -6.014 1.603 1.00 0.00 C ATOM 883 CD1 ILE A 61 2.386 -4.576 -1.143 1.00 0.00 C ATOM 0 H ILE A 61 3.839 -8.154 -1.486 1.00 0.00 H new ATOM 0 HA ILE A 61 5.253 -6.883 0.625 1.00 0.00 H new ATOM 0 HB ILE A 61 2.392 -7.034 -0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.292 -4.682 -0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.161 -5.740 -1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.875 -5.315 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.345 -6.862 2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.503 -5.512 2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.700 -3.760 -1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.724 -5.244 -1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.857 -4.170 -0.281 1.00 0.00 H new ATOM 894 N GLN A 62 4.887 -8.081 2.710 1.00 0.00 N ATOM 895 CA GLN A 62 4.822 -8.876 3.926 1.00 0.00 C ATOM 896 C GLN A 62 4.535 -7.979 5.132 1.00 0.00 C ATOM 897 O GLN A 62 4.049 -6.860 4.977 1.00 0.00 O ATOM 898 CB GLN A 62 6.113 -9.673 4.129 1.00 0.00 C ATOM 899 CG GLN A 62 7.274 -8.750 4.504 1.00 0.00 C ATOM 900 CD GLN A 62 8.561 -9.548 4.719 1.00 0.00 C ATOM 901 OE1 GLN A 62 8.624 -10.746 4.495 1.00 0.00 O ATOM 902 NE2 GLN A 62 9.582 -8.820 5.163 1.00 0.00 N ATOM 0 H GLN A 62 5.490 -7.261 2.769 1.00 0.00 H new ATOM 0 HA GLN A 62 4.005 -9.590 3.827 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.966 -10.416 4.913 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.356 -10.217 3.216 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.426 -8.013 3.716 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.027 -8.200 5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.462 -7.821 5.330 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.485 -9.261 5.336 1.00 0.00 H new ATOM 909 N LYS A 63 4.850 -8.504 6.306 1.00 0.00 N ATOM 910 CA LYS A 63 4.632 -7.767 7.538 1.00 0.00 C ATOM 911 C LYS A 63 5.775 -6.770 7.740 1.00 0.00 C ATOM 912 O LYS A 63 6.934 -7.088 7.479 1.00 0.00 O ATOM 913 CB LYS A 63 4.440 -8.728 8.714 1.00 0.00 C ATOM 914 CG LYS A 63 5.735 -9.484 9.018 1.00 0.00 C ATOM 915 CD LYS A 63 5.439 -10.917 9.466 1.00 0.00 C ATOM 916 CE LYS A 63 6.623 -11.507 10.236 1.00 0.00 C ATOM 917 NZ LYS A 63 6.632 -12.982 10.123 1.00 0.00 N ATOM 0 H LYS A 63 5.255 -9.432 6.430 1.00 0.00 H new ATOM 0 HA LYS A 63 3.710 -7.189 7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.124 -8.171 9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.646 -9.438 8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.368 -9.500 8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.291 -8.963 9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.549 -10.928 10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.222 -11.536 8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.556 -11.101 9.846 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.563 -11.217 11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.442 -13.366 10.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.749 -13.366 10.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.712 -13.253 9.122 1.00 0.00 H new ATOM 927 N GLU A 64 5.409 -5.583 8.202 1.00 0.00 N ATOM 928 CA GLU A 64 6.391 -4.538 8.442 1.00 0.00 C ATOM 929 C GLU A 64 6.863 -3.941 7.115 1.00 0.00 C ATOM 930 O GLU A 64 7.750 -3.088 7.096 1.00 0.00 O ATOM 931 CB GLU A 64 7.570 -5.071 9.256 1.00 0.00 C ATOM 932 CG GLU A 64 7.086 -5.862 10.472 1.00 0.00 C ATOM 933 CD GLU A 64 8.070 -6.979 10.827 1.00 0.00 C ATOM 934 OE1 GLU A 64 9.280 -6.765 10.594 1.00 0.00 O ATOM 935 OE2 GLU A 64 7.591 -8.020 11.325 1.00 0.00 O ATOM 0 H GLU A 64 4.447 -5.322 8.416 1.00 0.00 H new ATOM 0 HA GLU A 64 5.919 -3.748 9.026 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.191 -5.709 8.627 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.195 -4.240 9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.969 -5.191 11.323 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.105 -6.289 10.265 1.00 0.00 H new ATOM 940 N SER A 65 6.252 -4.412 6.038 1.00 0.00 N ATOM 941 CA SER A 65 6.600 -3.936 4.711 1.00 0.00 C ATOM 942 C SER A 65 6.117 -2.495 4.529 1.00 0.00 C ATOM 943 O SER A 65 4.918 -2.248 4.413 1.00 0.00 O ATOM 944 CB SER A 65 6.002 -4.836 3.627 1.00 0.00 C ATOM 945 OG SER A 65 6.163 -6.218 3.934 1.00 0.00 O ATOM 0 H SER A 65 5.517 -5.119 6.058 1.00 0.00 H new ATOM 0 HA SER A 65 7.685 -3.965 4.612 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.942 -4.611 3.513 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.479 -4.619 2.671 1.00 0.00 H new ATOM 0 HG SER A 65 6.850 -6.322 4.625 1.00 0.00 H new ATOM 950 N THR A 66 7.076 -1.581 4.510 1.00 0.00 N ATOM 951 CA THR A 66 6.765 -0.172 4.344 1.00 0.00 C ATOM 952 C THR A 66 6.500 0.146 2.872 1.00 0.00 C ATOM 953 O THR A 66 7.201 -0.350 1.990 1.00 0.00 O ATOM 954 CB THR A 66 7.913 0.640 4.946 1.00 0.00 C ATOM 955 OG1 THR A 66 7.938 0.247 6.314 1.00 0.00 O ATOM 956 CG2 THR A 66 7.608 2.139 4.994 1.00 0.00 C ATOM 0 H THR A 66 8.070 -1.789 4.607 1.00 0.00 H new ATOM 0 HA THR A 66 5.849 0.096 4.870 1.00 0.00 H new ATOM 0 HB THR A 66 8.819 0.472 4.364 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.656 0.726 6.779 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.455 2.669 5.430 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.431 2.507 3.983 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.720 2.310 5.603 1.00 0.00 H new ATOM 964 N LEU A 67 5.489 0.973 2.649 1.00 0.00 N ATOM 965 CA LEU A 67 5.124 1.364 1.299 1.00 0.00 C ATOM 966 C LEU A 67 5.638 2.778 1.025 1.00 0.00 C ATOM 967 O LEU A 67 6.333 3.361 1.856 1.00 0.00 O ATOM 968 CB LEU A 67 3.618 1.204 1.083 1.00 0.00 C ATOM 969 CG LEU A 67 3.087 -0.232 1.090 1.00 0.00 C ATOM 970 CD1 LEU A 67 3.152 -0.846 -0.310 1.00 0.00 C ATOM 971 CD2 LEU A 67 3.825 -1.083 2.125 1.00 0.00 C ATOM 0 H LEU A 67 4.911 1.383 3.382 1.00 0.00 H new ATOM 0 HA LEU A 67 5.598 0.706 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.098 1.766 1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.357 1.662 0.129 1.00 0.00 H new ATOM 0 HG LEU A 67 2.037 -0.208 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.769 -1.866 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.547 -0.253 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.186 -0.857 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.429 -2.098 2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.888 -1.105 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.684 -0.653 3.117 1.00 0.00 H new ATOM 982 N HIS A 68 5.275 3.290 -0.142 1.00 0.00 N ATOM 983 CA HIS A 68 5.691 4.625 -0.536 1.00 0.00 C ATOM 984 C HIS A 68 4.477 5.418 -1.023 1.00 0.00 C ATOM 985 O HIS A 68 3.850 5.053 -2.017 1.00 0.00 O ATOM 986 CB HIS A 68 6.813 4.562 -1.575 1.00 0.00 C ATOM 987 CG HIS A 68 8.111 4.000 -1.043 1.00 0.00 C ATOM 988 ND1 HIS A 68 9.322 4.655 -1.183 1.00 0.00 N ATOM 989 CD2 HIS A 68 8.373 2.843 -0.371 1.00 0.00 C ATOM 990 CE1 HIS A 68 10.265 3.915 -0.617 1.00 0.00 C ATOM 991 NE2 HIS A 68 9.674 2.792 -0.115 1.00 0.00 N ATOM 0 H HIS A 68 4.697 2.804 -0.828 1.00 0.00 H new ATOM 0 HA HIS A 68 6.103 5.149 0.326 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.482 3.952 -2.416 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.994 5.565 -1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.645 2.095 -0.094 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.316 4.158 -0.563 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.153 2.038 0.376 1.00 0.00 H new ATOM 998 N LEU A 69 4.180 6.488 -0.300 1.00 0.00 N ATOM 999 CA LEU A 69 3.052 7.335 -0.646 1.00 0.00 C ATOM 1000 C LEU A 69 3.556 8.566 -1.401 1.00 0.00 C ATOM 1001 O LEU A 69 4.337 9.352 -0.865 1.00 0.00 O ATOM 1002 CB LEU A 69 2.233 7.673 0.601 1.00 0.00 C ATOM 1003 CG LEU A 69 1.267 8.853 0.471 1.00 0.00 C ATOM 1004 CD1 LEU A 69 0.417 8.728 -0.794 1.00 0.00 C ATOM 1005 CD2 LEU A 69 0.407 8.999 1.728 1.00 0.00 C ATOM 0 H LEU A 69 4.701 6.787 0.524 1.00 0.00 H new ATOM 0 HA LEU A 69 2.371 6.807 -1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.660 6.790 0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.923 7.882 1.419 1.00 0.00 H new ATOM 0 HG LEU A 69 1.854 9.766 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.261 9.579 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.067 8.710 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.162 7.805 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.270 9.845 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.173 8.088 1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.050 9.168 2.591 1.00 0.00 H new ATOM 1016 N VAL A 70 3.091 8.695 -2.635 1.00 0.00 N ATOM 1017 CA VAL A 70 3.485 9.818 -3.471 1.00 0.00 C ATOM 1018 C VAL A 70 2.235 10.568 -3.933 1.00 0.00 C ATOM 1019 O VAL A 70 1.121 10.062 -3.807 1.00 0.00 O ATOM 1020 CB VAL A 70 4.351 9.326 -4.632 1.00 0.00 C ATOM 1021 CG1 VAL A 70 5.736 8.900 -4.140 1.00 0.00 C ATOM 1022 CG2 VAL A 70 3.662 8.187 -5.386 1.00 0.00 C ATOM 0 H VAL A 70 2.445 8.041 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 70 4.094 10.522 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 70 4.483 10.155 -5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.332 8.554 -4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.232 9.749 -3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.632 8.093 -3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.299 7.856 -6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.485 7.354 -4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.710 8.538 -5.785 1.00 0.00 H new ATOM 1032 N LEU A 71 2.461 11.763 -4.458 1.00 0.00 N ATOM 1033 CA LEU A 71 1.366 12.588 -4.940 1.00 0.00 C ATOM 1034 C LEU A 71 1.352 12.566 -6.470 1.00 0.00 C ATOM 1035 O LEU A 71 2.301 12.095 -7.096 1.00 0.00 O ATOM 1036 CB LEU A 71 1.455 13.996 -4.346 1.00 0.00 C ATOM 1037 CG LEU A 71 0.712 14.215 -3.027 1.00 0.00 C ATOM 1038 CD1 LEU A 71 -0.576 15.011 -3.248 1.00 0.00 C ATOM 1039 CD2 LEU A 71 0.450 12.885 -2.318 1.00 0.00 C ATOM 0 H LEU A 71 3.386 12.180 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 71 0.410 12.185 -4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.507 14.238 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.069 14.704 -5.080 1.00 0.00 H new ATOM 0 HG LEU A 71 1.348 14.809 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.085 15.152 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.334 15.983 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.228 14.465 -3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.079 13.069 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.157 12.245 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.399 12.392 -2.107 1.00 0.00 H new ATOM 1050 N ARG A 72 0.266 13.081 -7.027 1.00 0.00 N ATOM 1051 CA ARG A 72 0.116 13.126 -8.471 1.00 0.00 C ATOM 1052 C ARG A 72 -0.021 14.575 -8.945 1.00 0.00 C ATOM 1053 O ARG A 72 0.086 15.505 -8.149 1.00 0.00 O ATOM 1054 CB ARG A 72 -1.111 12.331 -8.923 1.00 0.00 C ATOM 1055 CG ARG A 72 -0.726 10.903 -9.314 1.00 0.00 C ATOM 1056 CD ARG A 72 -1.935 10.136 -9.850 1.00 0.00 C ATOM 1057 NE ARG A 72 -2.341 9.092 -8.882 1.00 0.00 N ATOM 1058 CZ ARG A 72 -3.213 8.111 -9.158 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -3.774 8.034 -10.372 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -3.522 7.206 -8.218 1.00 0.00 N ATOM 0 H ARG A 72 -0.518 13.471 -6.504 1.00 0.00 H new ATOM 0 HA ARG A 72 1.007 12.678 -8.911 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.848 12.306 -8.120 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.580 12.830 -9.771 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.058 10.928 -10.071 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.316 10.383 -8.448 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.763 10.823 -10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.691 9.679 -10.809 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.932 9.121 -7.948 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.538 8.722 -11.087 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.437 7.288 -10.581 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.094 7.264 -7.294 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.185 6.460 -8.427 1.00 0.00 H new ATOM 1071 N LEU A 73 -0.255 14.719 -10.243 1.00 0.00 N ATOM 1072 CA LEU A 73 -0.408 16.039 -10.832 1.00 0.00 C ATOM 1073 C LEU A 73 -1.540 16.783 -10.122 1.00 0.00 C ATOM 1074 O LEU A 73 -2.198 16.226 -9.244 1.00 0.00 O ATOM 1075 CB LEU A 73 -0.598 15.929 -12.346 1.00 0.00 C ATOM 1076 CG LEU A 73 -2.024 16.143 -12.859 1.00 0.00 C ATOM 1077 CD1 LEU A 73 -2.188 17.542 -13.456 1.00 0.00 C ATOM 1078 CD2 LEU A 73 -2.420 15.046 -13.851 1.00 0.00 C ATOM 0 H LEU A 73 -0.342 13.945 -10.901 1.00 0.00 H new ATOM 0 HA LEU A 73 0.498 16.628 -10.689 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.054 16.657 -12.828 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.263 14.942 -12.664 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.706 16.073 -12.012 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.210 17.668 -13.813 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.976 18.291 -12.693 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.495 17.666 -14.288 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.437 15.221 -14.200 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.737 15.060 -14.701 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.368 14.075 -13.359 1.00 0.00 H new ATOM 1089 N ARG A 74 -1.731 18.030 -10.527 1.00 0.00 N ATOM 1090 CA ARG A 74 -2.772 18.856 -9.939 1.00 0.00 C ATOM 1091 C ARG A 74 -3.097 18.373 -8.524 1.00 0.00 C ATOM 1092 O ARG A 74 -4.032 17.598 -8.327 1.00 0.00 O ATOM 1093 CB ARG A 74 -4.046 18.822 -10.787 1.00 0.00 C ATOM 1094 CG ARG A 74 -4.569 17.393 -10.933 1.00 0.00 C ATOM 1095 CD ARG A 74 -6.033 17.297 -10.495 1.00 0.00 C ATOM 1096 NE ARG A 74 -6.877 16.881 -11.637 1.00 0.00 N ATOM 1097 CZ ARG A 74 -8.143 16.459 -11.521 1.00 0.00 C ATOM 1098 NH1 ARG A 74 -8.719 16.395 -10.313 1.00 0.00 N ATOM 1099 NH2 ARG A 74 -8.833 16.102 -12.613 1.00 0.00 N ATOM 0 H ARG A 74 -1.183 18.488 -11.255 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.401 19.880 -9.901 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.811 19.448 -10.326 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.842 19.241 -11.772 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.474 17.071 -11.970 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.961 16.716 -10.333 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.131 16.580 -9.680 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.371 18.261 -10.114 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.469 16.918 -12.571 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.194 16.668 -9.482 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.683 16.074 -10.224 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.394 16.152 -13.532 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.797 15.781 -12.525 1.00 0.00 H new ATOM 1110 N GLY A 75 -2.307 18.853 -7.574 1.00 0.00 N ATOM 1111 CA GLY A 75 -2.499 18.480 -6.183 1.00 0.00 C ATOM 1112 C GLY A 75 -3.401 19.487 -5.465 1.00 0.00 C ATOM 1113 O GLY A 75 -3.024 20.037 -4.432 1.00 0.00 O ATOM 0 H GLY A 75 -1.533 19.496 -7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.942 17.485 -6.127 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.533 18.428 -5.680 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.576 19.696 -6.042 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.535 20.626 -5.470 1.00 0.00 C ATOM 1119 C GLY A 76 -6.839 19.914 -5.104 1.00 0.00 C ATOM 1120 O GLY A 76 -7.249 19.921 -3.945 1.00 0.00 O ATOM 0 H GLY A 76 -4.885 19.237 -6.899 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.109 21.092 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.741 21.425 -6.182 1.00 0.00 H new TER 1124 GLY A 76