USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 133:sc= 0.388 USER MOD Set 1.2: A 57 SER OG : rot -81:sc= 1.13 USER MOD Single : A 1 MET CE :methyl -156:sc= 0 (180deg=-0.572) USER MOD Single : A 1 MET N :NH3+ 172:sc= 1.22 (180deg=1.11) USER MOD Single : A 2 GLN : amide:sc=-0.00747 K(o=-0.0075,f=-1.7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 170:sc= -0.0431 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00871 USER MOD Single : A 11 LYS NZ :NH3+ -102:sc= 0.919 (180deg=-1.02!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 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 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 1.27 (180deg=0.841) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.23) USER MOD Single : A 31 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.2) 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= 0.432 K(o=0.43,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 144:sc= 0.0683 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 100:sc= 1.32 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.11 K(o=-0.11,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.605 5.787 -4.822 1.00 9.67 N ATOM 2 CA MET A 1 -11.477 6.492 -3.526 1.00 10.38 C ATOM 3 C MET A 1 -10.067 6.907 -3.285 1.00 9.62 C ATOM 4 O MET A 1 -9.146 6.488 -3.984 1.00 9.62 O ATOM 5 CB MET A 1 -12.101 5.638 -2.409 1.00 13.77 C ATOM 6 CG MET A 1 -11.199 4.462 -2.029 1.00 16.29 C ATOM 7 SD MET A 1 -11.953 3.378 -0.780 1.00 17.17 S ATOM 8 CE MET A 1 -10.421 2.632 -0.151 1.00 16.11 C ATOM 0 H1 MET A 1 -12.562 5.389 -4.908 1.00 9.67 H new ATOM 0 H2 MET A 1 -11.437 6.457 -5.600 1.00 9.67 H new ATOM 0 H3 MET A 1 -10.906 5.019 -4.870 1.00 9.67 H new ATOM 0 HA MET A 1 -12.041 7.425 -3.542 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.279 6.259 -1.531 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.071 5.263 -2.736 1.00 13.77 H new ATOM 0 HG2 MET A 1 -10.973 3.879 -2.922 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.251 4.844 -1.649 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.645 1.664 0.298 1.00 16.11 H new ATOM 0 HE2 MET A 1 -9.718 2.496 -0.973 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.979 3.287 0.600 1.00 16.11 H new ATOM 20 N GLN A 2 -9.924 7.749 -2.245 1.00 9.27 N ATOM 21 CA GLN A 2 -8.614 8.151 -1.835 1.00 9.07 C ATOM 22 C GLN A 2 -8.122 7.531 -0.572 1.00 8.72 C ATOM 23 O GLN A 2 -8.809 7.449 0.444 1.00 8.22 O ATOM 24 CB GLN A 2 -8.698 9.671 -1.614 1.00 14.46 C ATOM 25 CG GLN A 2 -8.910 10.513 -2.874 1.00 17.01 C ATOM 26 CD GLN A 2 -8.967 12.000 -2.553 1.00 20.10 C ATOM 27 OE1 GLN A 2 -8.339 12.382 -1.567 1.00 21.89 O ATOM 28 NE2 GLN A 2 -9.634 12.863 -3.365 1.00 19.49 N ATOM 0 H GLN A 2 -10.692 8.142 -1.701 1.00 9.27 H new ATOM 0 HA GLN A 2 -7.913 7.832 -2.606 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.515 9.875 -0.921 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -7.779 10.001 -1.129 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -8.101 10.323 -3.579 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -9.836 10.210 -3.363 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -10.145 12.510 -4.175 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -9.624 13.863 -3.165 1.00 19.49 H new ATOM 37 N ILE A 3 -6.901 6.965 -0.572 1.00 5.87 N ATOM 38 CA ILE A 3 -6.219 6.502 0.596 1.00 5.07 C ATOM 39 C ILE A 3 -4.916 7.226 0.609 1.00 4.01 C ATOM 40 O ILE A 3 -4.466 7.881 -0.329 1.00 4.61 O ATOM 41 CB ILE A 3 -5.966 5.024 0.567 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.016 4.690 -0.595 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.259 4.195 0.651 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.429 3.281 -0.534 1.00 10.83 C ATOM 0 H ILE A 3 -6.365 6.824 -1.428 1.00 5.87 H new ATOM 0 HA ILE A 3 -6.825 6.690 1.482 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.445 4.719 1.474 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -5.554 4.808 -1.536 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.200 5.412 -0.602 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.013 3.133 0.626 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.779 4.425 1.581 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -7.903 4.438 -0.194 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -3.770 3.124 -1.388 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.861 3.163 0.389 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.236 2.549 -0.559 1.00 10.83 H new ATOM 56 N PHE A 4 -4.210 7.103 1.747 1.00 4.55 N ATOM 57 CA PHE A 4 -3.060 7.918 1.984 1.00 4.68 C ATOM 58 C PHE A 4 -2.037 6.860 2.218 1.00 5.30 C ATOM 59 O PHE A 4 -2.301 5.844 2.859 1.00 5.58 O ATOM 60 CB PHE A 4 -3.285 8.911 3.137 1.00 4.83 C ATOM 61 CG PHE A 4 -4.421 9.841 2.878 1.00 7.97 C ATOM 62 CD1 PHE A 4 -4.705 10.388 1.649 1.00 8.34 C ATOM 63 CD2 PHE A 4 -5.282 10.200 3.888 1.00 6.69 C ATOM 64 CE1 PHE A 4 -5.811 11.174 1.427 1.00 10.61 C ATOM 65 CE2 PHE A 4 -6.307 11.099 3.710 1.00 9.10 C ATOM 66 CZ PHE A 4 -6.711 11.426 2.437 1.00 8.90 C ATOM 0 H PHE A 4 -4.432 6.447 2.496 1.00 4.55 H new ATOM 0 HA PHE A 4 -2.775 8.602 1.185 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -3.476 8.358 4.056 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.375 9.490 3.296 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.033 10.193 0.826 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -5.147 9.757 4.864 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -5.975 11.599 0.448 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -6.792 11.546 4.565 1.00 9.10 H new ATOM 0 HZ PHE A 4 -7.682 11.857 2.241 1.00 8.90 H new ATOM 76 N VAL A 5 -0.811 7.069 1.705 1.00 4.44 N ATOM 77 CA VAL A 5 0.255 6.154 1.969 1.00 3.87 C ATOM 78 C VAL A 5 1.399 6.992 2.427 1.00 4.93 C ATOM 79 O VAL A 5 1.800 7.924 1.732 1.00 6.84 O ATOM 80 CB VAL A 5 0.665 5.245 0.848 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.686 4.193 1.311 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.583 4.512 0.328 1.00 9.13 C ATOM 0 H VAL A 5 -0.560 7.862 1.114 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.098 5.442 2.715 1.00 3.87 H new ATOM 0 HB VAL A 5 1.126 5.853 0.070 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.957 3.555 0.470 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.578 4.693 1.689 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.248 3.584 2.102 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.301 3.847 -0.488 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.025 3.928 1.136 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.309 5.241 -0.033 1.00 9.13 H new ATOM 92 N LYS A 6 1.931 6.628 3.608 1.00 6.04 N ATOM 93 CA LYS A 6 3.062 7.278 4.194 1.00 6.12 C ATOM 94 C LYS A 6 4.260 6.421 3.970 1.00 6.57 C ATOM 95 O LYS A 6 4.255 5.204 4.152 1.00 5.76 O ATOM 96 CB LYS A 6 2.721 7.512 5.675 1.00 7.45 C ATOM 97 CG LYS A 6 3.932 8.102 6.400 1.00 11.12 C ATOM 98 CD LYS A 6 3.519 8.722 7.736 1.00 14.54 C ATOM 99 CE LYS A 6 4.754 9.266 8.457 1.00 18.84 C ATOM 100 NZ LYS A 6 4.320 9.603 9.831 1.00 20.55 N ATOM 0 H LYS A 6 1.564 5.860 4.171 1.00 6.04 H new ATOM 0 HA LYS A 6 3.292 8.246 3.749 1.00 6.12 H new ATOM 0 HB2 LYS A 6 1.870 8.188 5.759 1.00 7.45 H new ATOM 0 HB3 LYS A 6 2.428 6.572 6.143 1.00 7.45 H new ATOM 0 HG2 LYS A 6 4.674 7.322 6.570 1.00 11.12 H new ATOM 0 HG3 LYS A 6 4.403 8.859 5.773 1.00 11.12 H new ATOM 0 HD2 LYS A 6 2.801 9.525 7.569 1.00 14.54 H new ATOM 0 HD3 LYS A 6 3.023 7.975 8.356 1.00 14.54 H new ATOM 0 HE2 LYS A 6 5.553 8.524 8.473 1.00 18.84 H new ATOM 0 HE3 LYS A 6 5.146 10.146 7.947 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 5.127 9.980 10.367 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 3.566 10.319 9.791 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 3.961 8.748 10.301 1.00 20.55 H new ATOM 114 N THR A 7 5.331 6.977 3.378 1.00 7.41 N ATOM 115 CA THR A 7 6.376 6.207 2.777 1.00 7.48 C ATOM 116 C THR A 7 7.465 5.869 3.737 1.00 8.75 C ATOM 117 O THR A 7 7.207 6.038 4.927 1.00 8.58 O ATOM 118 CB THR A 7 6.875 6.777 1.483 1.00 9.61 C ATOM 119 OG1 THR A 7 7.614 7.973 1.685 1.00 11.78 O ATOM 120 CG2 THR A 7 5.676 6.921 0.530 1.00 9.17 C ATOM 0 H THR A 7 5.475 7.985 3.315 1.00 7.41 H new ATOM 0 HA THR A 7 5.919 5.257 2.501 1.00 7.48 H new ATOM 0 HB THR A 7 7.593 6.103 1.015 1.00 9.61 H new ATOM 0 HG1 THR A 7 8.058 8.229 0.849 1.00 11.78 H new ATOM 0 HG21 THR A 7 6.014 7.335 -0.420 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.226 5.943 0.360 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.937 7.588 0.974 1.00 9.17 H new ATOM 128 N LEU A 8 8.656 5.394 3.330 1.00 9.84 N ATOM 129 CA LEU A 8 9.663 5.015 4.272 1.00 14.15 C ATOM 130 C LEU A 8 10.307 6.191 4.920 1.00 17.37 C ATOM 131 O LEU A 8 10.274 6.407 6.131 1.00 17.01 O ATOM 132 CB LEU A 8 10.647 4.069 3.564 1.00 16.63 C ATOM 133 CG LEU A 8 11.433 3.102 4.465 1.00 18.88 C ATOM 134 CD1 LEU A 8 10.574 1.884 4.843 1.00 18.59 C ATOM 135 CD2 LEU A 8 12.728 2.637 3.776 1.00 19.31 C ATOM 0 H LEU A 8 8.921 5.273 2.353 1.00 9.84 H new ATOM 0 HA LEU A 8 9.213 4.478 5.107 1.00 14.15 H new ATOM 0 HB2 LEU A 8 10.090 3.480 2.835 1.00 16.63 H new ATOM 0 HB3 LEU A 8 11.362 4.674 3.007 1.00 16.63 H new ATOM 0 HG LEU A 8 11.697 3.640 5.376 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.152 1.215 5.480 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.685 2.218 5.379 1.00 18.59 H new ATOM 0 HD13 LEU A 8 10.275 1.355 3.938 1.00 18.59 H new ATOM 0 HD21 LEU A 8 13.265 1.954 4.434 1.00 19.31 H new ATOM 0 HD22 LEU A 8 12.482 2.126 2.845 1.00 19.31 H new ATOM 0 HD23 LEU A 8 13.356 3.501 3.560 1.00 19.31 H new ATOM 147 N THR A 9 10.896 6.968 3.993 1.00 18.33 N ATOM 148 CA THR A 9 11.518 8.238 4.201 1.00 19.24 C ATOM 149 C THR A 9 10.622 9.122 4.999 1.00 19.48 C ATOM 150 O THR A 9 11.096 9.736 5.953 1.00 23.14 O ATOM 151 CB THR A 9 11.881 8.954 2.934 1.00 18.97 C ATOM 152 OG1 THR A 9 12.543 8.040 2.072 1.00 20.24 O ATOM 153 CG2 THR A 9 12.923 10.027 3.292 1.00 19.70 C ATOM 0 H THR A 9 10.939 6.681 3.015 1.00 18.33 H new ATOM 0 HA THR A 9 12.446 8.025 4.732 1.00 19.24 H new ATOM 0 HB THR A 9 10.989 9.373 2.468 1.00 18.97 H new ATOM 0 HG1 THR A 9 12.785 8.494 1.238 1.00 20.24 H new ATOM 0 HG21 THR A 9 13.211 10.569 2.391 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.495 10.723 4.014 1.00 19.70 H new ATOM 0 HG23 THR A 9 13.802 9.550 3.725 1.00 19.70 H new ATOM 161 N GLY A 10 9.341 9.246 4.608 1.00 19.43 N ATOM 162 CA GLY A 10 8.343 10.001 5.300 1.00 18.74 C ATOM 163 C GLY A 10 7.653 10.995 4.432 1.00 17.62 C ATOM 164 O GLY A 10 7.792 12.188 4.700 1.00 19.74 O ATOM 0 H GLY A 10 8.983 8.796 3.765 1.00 19.43 H new ATOM 0 HA2 GLY A 10 7.604 9.317 5.717 1.00 18.74 H new ATOM 0 HA3 GLY A 10 8.806 10.520 6.139 1.00 18.74 H new ATOM 168 N LYS A 11 6.912 10.556 3.399 1.00 13.56 N ATOM 169 CA LYS A 11 6.150 11.407 2.539 1.00 11.91 C ATOM 170 C LYS A 11 4.741 10.926 2.598 1.00 10.18 C ATOM 171 O LYS A 11 4.559 9.719 2.453 1.00 9.10 O ATOM 172 CB LYS A 11 6.659 11.262 1.094 1.00 13.43 C ATOM 173 CG LYS A 11 7.904 12.096 0.785 1.00 16.69 C ATOM 174 CD LYS A 11 8.311 11.954 -0.683 1.00 17.92 C ATOM 175 CE LYS A 11 7.602 12.823 -1.724 1.00 20.81 C ATOM 176 NZ LYS A 11 8.164 12.493 -3.053 1.00 21.93 N ATOM 0 H LYS A 11 6.841 9.569 3.153 1.00 13.56 H new ATOM 0 HA LYS A 11 6.234 12.450 2.846 1.00 11.91 H new ATOM 0 HB2 LYS A 11 6.881 10.212 0.902 1.00 13.43 H new ATOM 0 HB3 LYS A 11 5.862 11.550 0.409 1.00 13.43 H new ATOM 0 HG2 LYS A 11 7.709 13.144 1.012 1.00 16.69 H new ATOM 0 HG3 LYS A 11 8.726 11.779 1.426 1.00 16.69 H new ATOM 0 HD2 LYS A 11 9.379 12.159 -0.752 1.00 17.92 H new ATOM 0 HD3 LYS A 11 8.167 10.912 -0.968 1.00 17.92 H new ATOM 0 HE2 LYS A 11 6.528 12.638 -1.708 1.00 20.81 H new ATOM 0 HE3 LYS A 11 7.747 13.880 -1.501 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 8.838 13.232 -3.338 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 8.654 11.577 -3.005 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 7.395 12.438 -3.751 1.00 21.93 H new ATOM 190 N THR A 12 3.702 11.775 2.687 1.00 9.63 N ATOM 191 CA THR A 12 2.377 11.237 2.660 1.00 9.85 C ATOM 192 C THR A 12 1.752 11.377 1.315 1.00 11.66 C ATOM 193 O THR A 12 1.444 12.509 0.944 1.00 12.33 O ATOM 194 CB THR A 12 1.487 11.715 3.770 1.00 10.85 C ATOM 195 OG1 THR A 12 2.249 11.761 4.967 1.00 10.91 O ATOM 196 CG2 THR A 12 0.219 10.876 4.001 1.00 9.63 C ATOM 0 H THR A 12 3.770 12.789 2.774 1.00 9.63 H new ATOM 0 HA THR A 12 2.493 10.171 2.855 1.00 9.85 H new ATOM 0 HB THR A 12 1.126 12.699 3.470 1.00 10.85 H new ATOM 0 HG1 THR A 12 1.683 12.073 5.703 1.00 10.91 H new ATOM 0 HG21 THR A 12 -0.355 11.303 4.823 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.388 10.877 3.095 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.500 9.852 4.249 1.00 9.63 H new ATOM 204 N ILE A 13 1.646 10.318 0.493 1.00 10.42 N ATOM 205 CA ILE A 13 1.132 10.368 -0.841 1.00 11.84 C ATOM 206 C ILE A 13 -0.326 10.062 -0.832 1.00 10.55 C ATOM 207 O ILE A 13 -0.860 9.262 -0.065 1.00 11.92 O ATOM 208 CB ILE A 13 2.001 9.772 -1.908 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.019 8.235 -1.894 1.00 14.87 C ATOM 210 CG2 ILE A 13 3.428 10.328 -1.763 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.738 7.535 -3.046 1.00 16.46 C ATOM 0 H ILE A 13 1.933 9.380 0.773 1.00 10.42 H new ATOM 0 HA ILE A 13 1.196 11.393 -1.206 1.00 11.84 H new ATOM 0 HB ILE A 13 1.576 10.057 -2.870 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.480 7.911 -0.961 1.00 14.87 H new ATOM 0 HG13 ILE A 13 0.987 7.885 -1.878 1.00 14.87 H new ATOM 0 HG21 ILE A 13 4.066 9.899 -2.536 1.00 17.08 H new ATOM 0 HG22 ILE A 13 3.408 11.413 -1.869 1.00 17.08 H new ATOM 0 HG23 ILE A 13 3.822 10.067 -0.781 1.00 17.08 H new ATOM 0 HD11 ILE A 13 2.674 6.455 -2.912 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.268 7.812 -3.990 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.785 7.838 -3.059 1.00 16.46 H new ATOM 223 N THR A 14 -1.078 10.683 -1.758 1.00 9.39 N ATOM 224 CA THR A 14 -2.475 10.481 -1.990 1.00 9.63 C ATOM 225 C THR A 14 -2.572 9.593 -3.182 1.00 11.20 C ATOM 226 O THR A 14 -2.022 9.918 -4.233 1.00 11.63 O ATOM 227 CB THR A 14 -3.322 11.692 -2.245 1.00 10.38 C ATOM 228 OG1 THR A 14 -3.237 12.645 -1.196 1.00 16.30 O ATOM 229 CG2 THR A 14 -4.803 11.279 -2.296 1.00 11.66 C ATOM 0 H THR A 14 -0.679 11.377 -2.390 1.00 9.39 H new ATOM 0 HA THR A 14 -2.874 10.075 -1.060 1.00 9.63 H new ATOM 0 HB THR A 14 -2.962 12.124 -3.179 1.00 10.38 H new ATOM 0 HG1 THR A 14 -3.804 13.416 -1.408 1.00 16.30 H new ATOM 0 HG21 THR A 14 -5.420 12.158 -2.481 1.00 11.66 H new ATOM 0 HG22 THR A 14 -4.952 10.556 -3.098 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.088 10.830 -1.345 1.00 11.66 H new ATOM 237 N LEU A 15 -3.233 8.425 -3.096 1.00 8.29 N ATOM 238 CA LEU A 15 -3.490 7.488 -4.145 1.00 9.03 C ATOM 239 C LEU A 15 -4.949 7.351 -4.412 1.00 8.59 C ATOM 240 O LEU A 15 -5.827 7.621 -3.594 1.00 7.79 O ATOM 241 CB LEU A 15 -3.040 6.068 -3.759 1.00 11.08 C ATOM 242 CG LEU A 15 -1.515 6.030 -3.570 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.159 4.635 -3.028 1.00 15.27 C ATOM 244 CD2 LEU A 15 -0.791 6.363 -4.885 1.00 15.88 C ATOM 0 H LEU A 15 -3.623 8.109 -2.208 1.00 8.29 H new ATOM 0 HA LEU A 15 -2.946 7.873 -5.008 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.536 5.758 -2.839 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.336 5.361 -4.534 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.185 6.787 -2.858 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.081 4.566 -2.880 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.667 4.473 -2.077 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.476 3.875 -3.743 1.00 15.27 H new ATOM 0 HD21 LEU A 15 0.287 6.330 -4.725 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.068 5.635 -5.647 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -1.078 7.361 -5.216 1.00 15.88 H new ATOM 256 N GLU A 16 -5.201 6.986 -5.682 1.00 11.04 N ATOM 257 CA GLU A 16 -6.520 6.731 -6.171 1.00 11.50 C ATOM 258 C GLU A 16 -6.636 5.275 -6.465 1.00 10.13 C ATOM 259 O GLU A 16 -6.083 4.739 -7.424 1.00 9.83 O ATOM 260 CB GLU A 16 -6.846 7.450 -7.492 1.00 17.22 C ATOM 261 CG GLU A 16 -6.534 8.933 -7.279 1.00 23.33 C ATOM 262 CD GLU A 16 -7.017 9.842 -8.400 1.00 26.99 C ATOM 263 OE1 GLU A 16 -7.580 9.340 -9.409 1.00 28.90 O ATOM 264 OE2 GLU A 16 -6.847 11.084 -8.282 1.00 28.86 O ATOM 0 H GLU A 16 -4.472 6.865 -6.385 1.00 11.04 H new ATOM 0 HA GLU A 16 -7.203 7.089 -5.401 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -6.251 7.044 -8.310 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -7.893 7.310 -7.760 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -6.989 9.257 -6.343 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -5.456 9.053 -7.168 1.00 23.33 H new ATOM 271 N VAL A 17 -7.508 4.636 -5.665 1.00 8.99 N ATOM 272 CA VAL A 17 -7.701 3.228 -5.820 1.00 8.85 C ATOM 273 C VAL A 17 -9.144 2.880 -5.682 1.00 8.04 C ATOM 274 O VAL A 17 -9.957 3.735 -5.335 1.00 8.99 O ATOM 275 CB VAL A 17 -6.897 2.347 -4.911 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.499 2.145 -5.518 1.00 12.05 C ATOM 277 CG2 VAL A 17 -6.838 2.899 -3.476 1.00 10.54 C ATOM 0 H VAL A 17 -8.064 5.077 -4.932 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.331 3.024 -6.825 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.387 1.377 -4.830 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -4.907 1.505 -4.863 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.592 1.675 -6.497 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.005 3.111 -5.624 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -6.246 2.229 -2.853 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -6.379 3.887 -3.485 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -7.848 2.972 -3.072 1.00 10.54 H new ATOM 287 N GLU A 18 -9.527 1.614 -5.925 1.00 7.29 N ATOM 288 CA GLU A 18 -10.877 1.188 -5.720 1.00 7.08 C ATOM 289 C GLU A 18 -10.856 0.044 -4.766 1.00 6.45 C ATOM 290 O GLU A 18 -9.893 -0.721 -4.757 1.00 5.28 O ATOM 291 CB GLU A 18 -11.660 0.667 -6.937 1.00 10.28 C ATOM 292 CG GLU A 18 -11.948 1.825 -7.895 1.00 12.65 C ATOM 293 CD GLU A 18 -12.854 1.424 -9.050 1.00 14.15 C ATOM 294 OE1 GLU A 18 -12.514 0.410 -9.717 1.00 14.33 O ATOM 295 OE2 GLU A 18 -13.920 2.063 -9.253 1.00 18.17 O ATOM 0 H GLU A 18 -8.901 0.884 -6.264 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.381 2.096 -5.390 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.086 -0.107 -7.447 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.594 0.209 -6.612 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.412 2.641 -7.342 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.007 2.204 -8.293 1.00 12.65 H new ATOM 302 N PRO A 19 -11.730 -0.181 -3.831 1.00 7.24 N ATOM 303 CA PRO A 19 -11.509 -1.169 -2.816 1.00 7.07 C ATOM 304 C PRO A 19 -11.527 -2.590 -3.265 1.00 6.65 C ATOM 305 O PRO A 19 -11.298 -3.463 -2.429 1.00 6.37 O ATOM 306 CB PRO A 19 -12.637 -0.885 -1.827 1.00 7.61 C ATOM 307 CG PRO A 19 -13.805 -0.521 -2.757 1.00 8.16 C ATOM 308 CD PRO A 19 -13.020 0.465 -3.638 1.00 7.49 C ATOM 0 HA PRO A 19 -10.500 -1.082 -2.413 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.865 -1.754 -1.209 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.387 -0.069 -1.149 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.200 -1.374 -3.309 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.645 -0.061 -2.236 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.525 0.639 -4.588 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.912 1.435 -3.152 1.00 7.49 H new ATOM 316 N SER A 20 -11.915 -2.933 -4.506 1.00 6.80 N ATOM 317 CA SER A 20 -11.944 -4.269 -5.016 1.00 6.28 C ATOM 318 C SER A 20 -10.597 -4.662 -5.517 1.00 8.45 C ATOM 319 O SER A 20 -10.396 -5.855 -5.741 1.00 7.26 O ATOM 320 CB SER A 20 -12.983 -4.572 -6.109 1.00 8.57 C ATOM 321 OG SER A 20 -14.319 -4.316 -5.699 1.00 11.13 O ATOM 0 H SER A 20 -12.225 -2.242 -5.189 1.00 6.80 H new ATOM 0 HA SER A 20 -12.255 -4.860 -4.154 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.759 -3.971 -6.990 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.895 -5.617 -6.405 1.00 8.57 H new ATOM 0 HG SER A 20 -14.933 -4.525 -6.434 1.00 11.13 H new ATOM 327 N ASP A 21 -9.713 -3.693 -5.813 1.00 7.50 N ATOM 328 CA ASP A 21 -8.337 -3.855 -6.168 1.00 7.70 C ATOM 329 C ASP A 21 -7.504 -4.311 -5.019 1.00 7.08 C ATOM 330 O ASP A 21 -7.779 -4.014 -3.857 1.00 8.11 O ATOM 331 CB ASP A 21 -7.568 -2.656 -6.748 1.00 11.00 C ATOM 332 CG ASP A 21 -8.129 -2.201 -8.088 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.000 -2.898 -9.130 1.00 14.36 O ATOM 334 OD2 ASP A 21 -8.766 -1.117 -8.171 1.00 18.03 O ATOM 0 H ASP A 21 -9.987 -2.710 -5.803 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.458 -4.586 -6.967 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.606 -1.827 -6.041 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.519 -2.925 -6.869 1.00 11.00 H new ATOM 339 N THR A 22 -6.474 -5.152 -5.220 1.00 5.37 N ATOM 340 CA THR A 22 -5.628 -5.763 -4.243 1.00 6.01 C ATOM 341 C THR A 22 -4.498 -4.925 -3.749 1.00 8.01 C ATOM 342 O THR A 22 -4.197 -3.864 -4.293 1.00 8.11 O ATOM 343 CB THR A 22 -5.249 -7.169 -4.603 1.00 8.92 C ATOM 344 OG1 THR A 22 -4.344 -7.057 -5.691 1.00 10.22 O ATOM 345 CG2 THR A 22 -6.456 -8.022 -5.029 1.00 9.65 C ATOM 0 H THR A 22 -6.209 -5.431 -6.165 1.00 5.37 H new ATOM 0 HA THR A 22 -6.256 -5.841 -3.355 1.00 6.01 H new ATOM 0 HB THR A 22 -4.817 -7.668 -3.735 1.00 8.92 H new ATOM 0 HG1 THR A 22 -4.057 -7.951 -5.972 1.00 10.22 H new ATOM 0 HG21 THR A 22 -6.120 -9.029 -5.278 1.00 9.65 H new ATOM 0 HG22 THR A 22 -7.174 -8.071 -4.211 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.930 -7.572 -5.901 1.00 9.65 H new ATOM 353 N ILE A 23 -3.773 -5.388 -2.716 1.00 8.32 N ATOM 354 CA ILE A 23 -2.582 -4.813 -2.172 1.00 9.92 C ATOM 355 C ILE A 23 -1.398 -4.697 -3.069 1.00 10.01 C ATOM 356 O ILE A 23 -0.758 -3.652 -3.177 1.00 8.71 O ATOM 357 CB ILE A 23 -2.258 -5.420 -0.839 1.00 10.78 C ATOM 358 CG1 ILE A 23 -3.306 -5.160 0.257 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.864 -5.033 -0.317 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.576 -3.691 0.579 1.00 12.30 C ATOM 0 H ILE A 23 -4.044 -6.237 -2.220 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.838 -3.762 -2.037 1.00 9.92 H new ATOM 0 HB ILE A 23 -2.270 -6.489 -1.050 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -4.244 -5.625 -0.045 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.982 -5.660 1.170 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.694 -5.505 0.650 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.105 -5.369 -1.023 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.804 -3.950 -0.207 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.330 -3.623 1.364 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.655 -3.218 0.919 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.937 -3.183 -0.315 1.00 12.30 H new ATOM 372 N GLU A 24 -1.080 -5.710 -3.894 1.00 9.54 N ATOM 373 CA GLU A 24 -0.391 -5.646 -5.146 1.00 11.81 C ATOM 374 C GLU A 24 -0.561 -4.430 -5.989 1.00 11.14 C ATOM 375 O GLU A 24 0.393 -3.677 -6.178 1.00 10.62 O ATOM 376 CB GLU A 24 -0.684 -6.909 -5.973 1.00 19.24 C ATOM 377 CG GLU A 24 -0.093 -6.921 -7.385 1.00 27.76 C ATOM 378 CD GLU A 24 -0.659 -8.153 -8.076 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.770 -8.091 -8.666 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.015 -9.231 -7.966 1.00 36.51 O ATOM 0 H GLU A 24 -1.332 -6.670 -3.658 1.00 9.54 H new ATOM 0 HA GLU A 24 0.654 -5.580 -4.842 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.303 -7.774 -5.431 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.765 -7.031 -6.049 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.362 -6.014 -7.926 1.00 27.76 H new ATOM 0 HG3 GLU A 24 0.996 -6.961 -7.350 1.00 27.76 H new ATOM 387 N ASN A 25 -1.810 -4.162 -6.411 1.00 9.43 N ATOM 388 CA ASN A 25 -2.186 -2.951 -7.072 1.00 10.96 C ATOM 389 C ASN A 25 -1.788 -1.676 -6.411 1.00 9.68 C ATOM 390 O ASN A 25 -1.259 -0.747 -7.019 1.00 9.33 O ATOM 391 CB ASN A 25 -3.688 -3.077 -7.379 1.00 16.78 C ATOM 392 CG ASN A 25 -4.086 -2.247 -8.591 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.561 -1.113 -8.600 1.00 25.66 O ATOM 394 ND2 ASN A 25 -3.965 -2.854 -9.802 1.00 24.70 N ATOM 0 H ASN A 25 -2.586 -4.812 -6.287 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.606 -2.856 -7.990 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.937 -4.123 -7.557 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.265 -2.755 -6.512 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -4.261 -2.367 -10.648 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -3.578 -3.796 -9.864 1.00 24.70 H new ATOM 401 N VAL A 26 -1.878 -1.598 -5.071 1.00 6.52 N ATOM 402 CA VAL A 26 -1.503 -0.473 -4.272 1.00 5.53 C ATOM 403 C VAL A 26 -0.034 -0.227 -4.246 1.00 4.42 C ATOM 404 O VAL A 26 0.440 0.878 -4.509 1.00 3.40 O ATOM 405 CB VAL A 26 -2.099 -0.465 -2.895 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.872 0.907 -2.239 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.582 -0.838 -3.065 1.00 8.12 C ATOM 0 H VAL A 26 -2.236 -2.371 -4.510 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.952 0.375 -4.790 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.631 -1.185 -2.223 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.306 0.909 -1.239 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.802 1.105 -2.170 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.346 1.681 -2.842 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.069 -0.848 -2.090 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.070 -0.105 -3.707 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.659 -1.826 -3.519 1.00 8.12 H new ATOM 417 N LYS A 27 0.771 -1.294 -4.093 1.00 2.64 N ATOM 418 CA LYS A 27 2.181 -1.182 -4.301 1.00 4.14 C ATOM 419 C LYS A 27 2.622 -0.800 -5.672 1.00 5.58 C ATOM 420 O LYS A 27 3.522 0.025 -5.821 1.00 4.11 O ATOM 421 CB LYS A 27 2.784 -2.574 -4.047 1.00 3.97 C ATOM 422 CG LYS A 27 2.653 -3.091 -2.613 1.00 7.45 C ATOM 423 CD LYS A 27 3.358 -4.428 -2.372 1.00 9.02 C ATOM 424 CE LYS A 27 3.395 -4.839 -0.899 1.00 12.90 C ATOM 425 NZ LYS A 27 3.944 -6.207 -0.769 1.00 15.47 N ATOM 0 H LYS A 27 0.450 -2.225 -3.828 1.00 2.64 H new ATOM 0 HA LYS A 27 2.508 -0.385 -3.633 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.305 -3.287 -4.718 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.841 -2.548 -4.311 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.062 -2.347 -1.930 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.596 -3.199 -2.371 1.00 7.45 H new ATOM 0 HD2 LYS A 27 2.853 -5.205 -2.946 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.379 -4.365 -2.750 1.00 9.02 H new ATOM 0 HE2 LYS A 27 4.007 -4.137 -0.332 1.00 12.90 H new ATOM 0 HE3 LYS A 27 2.391 -4.800 -0.477 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 3.607 -6.633 0.118 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 3.628 -6.786 -1.573 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.983 -6.165 -0.760 1.00 15.47 H new ATOM 439 N ALA A 28 1.939 -1.224 -6.750 1.00 6.61 N ATOM 440 CA ALA A 28 2.296 -0.852 -8.084 1.00 7.74 C ATOM 441 C ALA A 28 1.915 0.562 -8.358 1.00 9.17 C ATOM 442 O ALA A 28 2.639 1.280 -9.045 1.00 11.45 O ATOM 443 CB ALA A 28 1.493 -1.705 -9.080 1.00 7.68 C ATOM 0 H ALA A 28 1.125 -1.836 -6.695 1.00 6.61 H new ATOM 0 HA ALA A 28 3.372 -0.993 -8.190 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.762 -1.425 -10.098 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.720 -2.759 -8.922 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.427 -1.536 -8.927 1.00 7.68 H new ATOM 449 N LYS A 29 0.823 1.100 -7.785 1.00 8.96 N ATOM 450 CA LYS A 29 0.565 2.506 -7.823 1.00 7.90 C ATOM 451 C LYS A 29 1.548 3.362 -7.100 1.00 6.92 C ATOM 452 O LYS A 29 1.772 4.491 -7.535 1.00 6.87 O ATOM 453 CB LYS A 29 -0.918 2.762 -7.503 1.00 10.28 C ATOM 454 CG LYS A 29 -1.790 2.831 -8.758 1.00 14.94 C ATOM 455 CD LYS A 29 -3.271 2.815 -8.370 1.00 19.69 C ATOM 456 CE LYS A 29 -4.075 2.993 -9.660 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.504 2.826 -9.313 1.00 24.98 N ATOM 0 H LYS A 29 0.114 0.557 -7.292 1.00 8.96 H new ATOM 0 HA LYS A 29 0.741 2.850 -8.842 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.287 1.969 -6.852 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.010 3.697 -6.950 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -1.563 3.737 -9.319 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -1.568 1.987 -9.412 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.531 1.877 -7.880 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.493 3.615 -7.664 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -3.897 3.978 -10.091 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -3.772 2.259 -10.406 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.090 3.024 -10.149 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.672 1.850 -8.995 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -5.755 3.487 -8.550 1.00 24.98 H new ATOM 471 N ILE A 30 2.209 2.891 -6.028 1.00 4.57 N ATOM 472 CA ILE A 30 3.305 3.541 -5.379 1.00 5.58 C ATOM 473 C ILE A 30 4.538 3.591 -6.215 1.00 7.26 C ATOM 474 O ILE A 30 5.274 4.576 -6.205 1.00 9.46 O ATOM 475 CB ILE A 30 3.465 2.965 -4.004 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.158 3.109 -3.205 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.679 3.533 -3.250 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.086 2.189 -1.987 1.00 2.00 C ATOM 0 H ILE A 30 1.963 2.004 -5.589 1.00 4.57 H new ATOM 0 HA ILE A 30 3.085 4.601 -5.250 1.00 5.58 H new ATOM 0 HB ILE A 30 3.674 1.902 -4.120 1.00 5.36 H new ATOM 0 HG12 ILE A 30 2.054 4.143 -2.876 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.314 2.897 -3.862 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.740 3.077 -2.262 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.589 3.313 -3.808 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.570 4.612 -3.145 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.139 2.343 -1.470 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.158 1.151 -2.311 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.910 2.416 -1.310 1.00 2.00 H new ATOM 490 N GLN A 31 4.837 2.550 -7.013 1.00 7.06 N ATOM 491 CA GLN A 31 5.862 2.605 -8.008 1.00 8.67 C ATOM 492 C GLN A 31 5.624 3.636 -9.058 1.00 10.90 C ATOM 493 O GLN A 31 6.556 4.358 -9.407 1.00 9.63 O ATOM 494 CB GLN A 31 6.076 1.219 -8.639 1.00 9.12 C ATOM 495 CG GLN A 31 7.338 1.136 -9.501 1.00 10.76 C ATOM 496 CD GLN A 31 7.792 -0.260 -9.901 1.00 13.78 C ATOM 497 OE1 GLN A 31 8.960 -0.618 -9.759 1.00 14.48 O ATOM 498 NE2 GLN A 31 6.961 -1.137 -10.526 1.00 14.76 N ATOM 0 H GLN A 31 4.356 1.652 -6.966 1.00 7.06 H new ATOM 0 HA GLN A 31 6.772 2.911 -7.492 1.00 8.67 H new ATOM 0 HB2 GLN A 31 6.135 0.472 -7.847 1.00 9.12 H new ATOM 0 HB3 GLN A 31 5.209 0.968 -9.250 1.00 9.12 H new ATOM 0 HG2 GLN A 31 7.170 1.714 -10.410 1.00 10.76 H new ATOM 0 HG3 GLN A 31 8.153 1.619 -8.962 1.00 10.76 H new ATOM 0 HE21 GLN A 31 5.981 -0.895 -10.672 1.00 14.76 H new ATOM 0 HE22 GLN A 31 7.318 -2.036 -10.848 1.00 14.76 H new ATOM 507 N ASP A 32 4.377 3.768 -9.544 1.00 10.93 N ATOM 508 CA ASP A 32 4.060 4.647 -10.626 1.00 14.01 C ATOM 509 C ASP A 32 4.176 6.045 -10.123 1.00 14.04 C ATOM 510 O ASP A 32 4.913 6.897 -10.618 1.00 13.39 O ATOM 511 CB ASP A 32 2.631 4.452 -11.160 1.00 18.01 C ATOM 512 CG ASP A 32 2.336 5.353 -12.350 1.00 24.33 C ATOM 513 OD1 ASP A 32 1.824 6.495 -12.198 1.00 25.17 O ATOM 514 OD2 ASP A 32 2.523 4.842 -13.486 1.00 26.29 O ATOM 0 H ASP A 32 3.574 3.255 -9.179 1.00 10.93 H new ATOM 0 HA ASP A 32 4.749 4.432 -11.443 1.00 14.01 H new ATOM 0 HB2 ASP A 32 2.492 3.411 -11.451 1.00 18.01 H new ATOM 0 HB3 ASP A 32 1.916 4.658 -10.364 1.00 18.01 H new ATOM 519 N LYS A 33 3.509 6.410 -9.014 1.00 14.22 N ATOM 520 CA LYS A 33 3.610 7.662 -8.330 1.00 14.00 C ATOM 521 C LYS A 33 4.990 8.014 -7.894 1.00 12.37 C ATOM 522 O LYS A 33 5.581 8.893 -8.519 1.00 12.17 O ATOM 523 CB LYS A 33 2.579 7.668 -7.190 1.00 18.62 C ATOM 524 CG LYS A 33 2.347 8.999 -6.472 1.00 24.00 C ATOM 525 CD LYS A 33 2.059 10.262 -7.287 1.00 27.61 C ATOM 526 CE LYS A 33 1.534 11.371 -6.372 1.00 27.64 C ATOM 527 NZ LYS A 33 1.464 12.600 -7.195 1.00 30.06 N ATOM 0 H LYS A 33 2.848 5.779 -8.561 1.00 14.22 H new ATOM 0 HA LYS A 33 3.376 8.463 -9.031 1.00 14.00 H new ATOM 0 HB2 LYS A 33 1.625 7.330 -7.594 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.890 6.932 -6.448 1.00 18.62 H new ATOM 0 HG2 LYS A 33 1.512 8.857 -5.786 1.00 24.00 H new ATOM 0 HG3 LYS A 33 3.229 9.199 -5.864 1.00 24.00 H new ATOM 0 HD2 LYS A 33 2.967 10.594 -7.790 1.00 27.61 H new ATOM 0 HD3 LYS A 33 1.326 10.044 -8.064 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.552 11.114 -5.975 1.00 27.64 H new ATOM 0 HE3 LYS A 33 2.195 11.514 -5.517 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.111 13.387 -6.614 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 2.412 12.833 -7.553 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.820 12.445 -7.997 1.00 30.06 H new ATOM 541 N GLU A 34 5.635 7.240 -7.003 1.00 10.11 N ATOM 542 CA GLU A 34 6.903 7.656 -6.487 1.00 10.07 C ATOM 543 C GLU A 34 8.149 7.204 -7.167 1.00 9.32 C ATOM 544 O GLU A 34 9.133 7.905 -7.396 1.00 11.61 O ATOM 545 CB GLU A 34 6.992 7.345 -4.983 1.00 14.77 C ATOM 546 CG GLU A 34 6.428 8.523 -4.185 1.00 18.75 C ATOM 547 CD GLU A 34 7.397 9.697 -4.196 1.00 22.28 C ATOM 548 OE1 GLU A 34 8.365 9.769 -3.392 1.00 21.95 O ATOM 549 OE2 GLU A 34 7.095 10.730 -4.851 1.00 25.19 O ATOM 0 H GLU A 34 5.291 6.348 -6.647 1.00 10.11 H new ATOM 0 HA GLU A 34 6.892 8.724 -6.702 1.00 10.07 H new ATOM 0 HB2 GLU A 34 6.434 6.437 -4.755 1.00 14.77 H new ATOM 0 HB3 GLU A 34 8.028 7.162 -4.699 1.00 14.77 H new ATOM 0 HG2 GLU A 34 5.472 8.831 -4.609 1.00 18.75 H new ATOM 0 HG3 GLU A 34 6.236 8.214 -3.158 1.00 18.75 H new ATOM 556 N GLY A 35 8.137 5.915 -7.551 1.00 7.22 N ATOM 557 CA GLY A 35 9.319 5.291 -8.059 1.00 6.29 C ATOM 558 C GLY A 35 10.033 4.486 -7.028 1.00 6.93 C ATOM 559 O GLY A 35 11.247 4.662 -6.937 1.00 7.41 O ATOM 0 H GLY A 35 7.317 5.310 -7.511 1.00 7.22 H new ATOM 0 HA2 GLY A 35 9.053 4.647 -8.897 1.00 6.29 H new ATOM 0 HA3 GLY A 35 9.991 6.057 -8.446 1.00 6.29 H new ATOM 563 N ILE A 36 9.302 3.653 -6.266 1.00 5.86 N ATOM 564 CA ILE A 36 9.718 2.686 -5.299 1.00 6.07 C ATOM 565 C ILE A 36 9.479 1.302 -5.795 1.00 6.36 C ATOM 566 O ILE A 36 8.288 0.999 -5.858 1.00 6.18 O ATOM 567 CB ILE A 36 8.980 2.812 -3.999 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.929 4.262 -3.490 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.526 1.844 -2.936 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.201 4.375 -2.152 1.00 9.49 C ATOM 0 H ILE A 36 8.285 3.663 -6.342 1.00 5.86 H new ATOM 0 HA ILE A 36 10.779 2.876 -5.138 1.00 6.07 H new ATOM 0 HB ILE A 36 7.948 2.521 -4.196 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.944 4.644 -3.384 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.428 4.888 -4.229 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.965 1.967 -2.010 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.422 0.818 -3.290 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.579 2.060 -2.754 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.189 5.417 -1.831 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.177 4.018 -2.264 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.716 3.771 -1.405 1.00 9.49 H new ATOM 582 N PRO A 37 10.371 0.389 -6.042 1.00 8.65 N ATOM 583 CA PRO A 37 10.033 -0.912 -6.542 1.00 9.18 C ATOM 584 C PRO A 37 9.188 -1.740 -5.637 1.00 9.85 C ATOM 585 O PRO A 37 9.383 -1.640 -4.426 1.00 8.51 O ATOM 586 CB PRO A 37 11.367 -1.570 -6.884 1.00 11.42 C ATOM 587 CG PRO A 37 12.456 -0.488 -6.959 1.00 9.27 C ATOM 588 CD PRO A 37 11.808 0.611 -6.101 1.00 8.33 C ATOM 0 HA PRO A 37 9.387 -0.817 -7.414 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.625 -2.312 -6.128 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.294 -2.097 -7.836 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.408 -0.827 -6.551 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.646 -0.160 -7.981 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.231 0.601 -5.096 1.00 8.33 H new ATOM 0 HD3 PRO A 37 12.019 1.592 -6.526 1.00 8.33 H new ATOM 596 N PRO A 38 8.350 -2.604 -6.129 1.00 8.71 N ATOM 597 CA PRO A 38 7.316 -3.139 -5.292 1.00 9.08 C ATOM 598 C PRO A 38 7.778 -4.175 -4.326 1.00 9.28 C ATOM 599 O PRO A 38 7.176 -4.397 -3.276 1.00 6.50 O ATOM 600 CB PRO A 38 6.326 -3.605 -6.357 1.00 10.31 C ATOM 601 CG PRO A 38 7.268 -4.099 -7.466 1.00 10.81 C ATOM 602 CD PRO A 38 8.169 -2.856 -7.550 1.00 12.00 C ATOM 0 HA PRO A 38 6.886 -2.434 -4.581 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.674 -4.398 -5.991 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.681 -2.795 -6.699 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.813 -5.002 -7.190 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.750 -4.313 -8.401 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.109 -3.053 -8.065 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.690 -2.024 -8.067 1.00 12.00 H new ATOM 610 N ASP A 39 8.892 -4.862 -4.639 1.00 11.20 N ATOM 611 CA ASP A 39 9.367 -6.024 -3.954 1.00 14.96 C ATOM 612 C ASP A 39 10.025 -5.645 -2.672 1.00 13.99 C ATOM 613 O ASP A 39 10.059 -6.474 -1.764 1.00 13.75 O ATOM 614 CB ASP A 39 10.288 -6.790 -4.917 1.00 24.16 C ATOM 615 CG ASP A 39 11.366 -5.864 -5.462 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.046 -4.996 -6.317 1.00 34.22 O ATOM 617 OD2 ASP A 39 12.551 -6.082 -5.092 1.00 35.55 O ATOM 0 H ASP A 39 9.495 -4.590 -5.415 1.00 11.20 H new ATOM 0 HA ASP A 39 8.546 -6.683 -3.670 1.00 14.96 H new ATOM 0 HB2 ASP A 39 10.749 -7.631 -4.399 1.00 24.16 H new ATOM 0 HB3 ASP A 39 9.704 -7.203 -5.739 1.00 24.16 H new ATOM 622 N GLN A 40 10.521 -4.411 -2.468 1.00 11.60 N ATOM 623 CA GLN A 40 11.092 -3.964 -1.236 1.00 10.76 C ATOM 624 C GLN A 40 10.058 -3.216 -0.467 1.00 8.01 C ATOM 625 O GLN A 40 10.274 -2.775 0.661 1.00 8.96 O ATOM 626 CB GLN A 40 12.347 -3.133 -1.552 1.00 11.14 C ATOM 627 CG GLN A 40 12.069 -1.900 -2.415 1.00 14.85 C ATOM 628 CD GLN A 40 13.298 -1.005 -2.480 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.331 0.122 -1.987 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.311 -1.550 -3.206 1.00 18.16 N ATOM 0 H GLN A 40 10.524 -3.694 -3.194 1.00 11.60 H new ATOM 0 HA GLN A 40 11.408 -4.796 -0.607 1.00 10.76 H new ATOM 0 HB2 GLN A 40 12.806 -2.814 -0.616 1.00 11.14 H new ATOM 0 HB3 GLN A 40 13.072 -3.767 -2.063 1.00 11.14 H new ATOM 0 HG2 GLN A 40 11.784 -2.210 -3.421 1.00 14.85 H new ATOM 0 HG3 GLN A 40 11.228 -1.343 -2.003 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.217 -2.492 -3.586 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.165 -1.017 -3.370 1.00 18.16 H new ATOM 639 N GLN A 41 8.804 -3.133 -0.947 1.00 6.52 N ATOM 640 CA GLN A 41 7.743 -2.560 -0.177 1.00 3.87 C ATOM 641 C GLN A 41 7.111 -3.575 0.713 1.00 4.79 C ATOM 642 O GLN A 41 6.722 -4.641 0.239 1.00 6.34 O ATOM 643 CB GLN A 41 6.689 -1.948 -1.114 1.00 4.20 C ATOM 644 CG GLN A 41 7.205 -0.764 -1.935 1.00 3.20 C ATOM 645 CD GLN A 41 6.055 -0.278 -2.806 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.986 -0.180 -2.207 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.254 0.138 -4.086 1.00 7.13 N ATOM 0 H GLN A 41 8.524 -3.463 -1.871 1.00 6.52 H new ATOM 0 HA GLN A 41 8.165 -1.777 0.454 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.329 -2.720 -1.794 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.835 -1.622 -0.521 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.554 0.034 -1.280 1.00 3.20 H new ATOM 0 HG3 GLN A 41 8.053 -1.064 -2.551 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.169 0.026 -4.522 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.488 0.562 -4.609 1.00 7.13 H new ATOM 656 N ARG A 42 6.836 -3.278 1.996 1.00 5.73 N ATOM 657 CA ARG A 42 5.783 -3.944 2.697 1.00 6.97 C ATOM 658 C ARG A 42 4.858 -2.952 3.315 1.00 7.15 C ATOM 659 O ARG A 42 5.291 -1.998 3.958 1.00 7.33 O ATOM 660 CB ARG A 42 6.400 -4.860 3.767 1.00 13.23 C ATOM 661 CG ARG A 42 5.441 -5.290 4.879 1.00 21.27 C ATOM 662 CD ARG A 42 5.794 -6.452 5.810 1.00 26.14 C ATOM 663 NE ARG A 42 5.656 -7.673 4.966 1.00 32.26 N ATOM 664 CZ ARG A 42 6.690 -8.479 4.587 1.00 34.32 C ATOM 665 NH1 ARG A 42 7.974 -8.271 4.999 1.00 35.30 N ATOM 666 NH2 ARG A 42 6.367 -9.538 3.788 1.00 36.39 N ATOM 0 H ARG A 42 7.339 -2.581 2.545 1.00 5.73 H new ATOM 0 HA ARG A 42 5.201 -4.547 1.999 1.00 6.97 H new ATOM 0 HB2 ARG A 42 6.790 -5.753 3.279 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.249 -4.346 4.218 1.00 13.23 H new ATOM 0 HG2 ARG A 42 5.267 -4.417 5.508 1.00 21.27 H new ATOM 0 HG3 ARG A 42 4.491 -5.536 4.405 1.00 21.27 H new ATOM 0 HD2 ARG A 42 6.807 -6.353 6.199 1.00 26.14 H new ATOM 0 HD3 ARG A 42 5.124 -6.488 6.669 1.00 26.14 H new ATOM 0 HE ARG A 42 4.720 -7.925 4.648 1.00 32.26 H new ATOM 0 HH11 ARG A 42 8.191 -7.488 5.615 1.00 35.30 H new ATOM 0 HH12 ARG A 42 8.716 -8.899 4.691 1.00 35.30 H new ATOM 0 HH21 ARG A 42 5.398 -9.689 3.509 1.00 36.39 H new ATOM 0 HH22 ARG A 42 7.095 -10.178 3.470 1.00 36.39 H new ATOM 680 N LEU A 43 3.548 -3.045 3.025 1.00 4.65 N ATOM 681 CA LEU A 43 2.515 -2.202 3.544 1.00 3.51 C ATOM 682 C LEU A 43 1.946 -2.679 4.836 1.00 5.56 C ATOM 683 O LEU A 43 1.627 -3.842 5.078 1.00 4.19 O ATOM 684 CB LEU A 43 1.474 -2.051 2.422 1.00 3.74 C ATOM 685 CG LEU A 43 1.783 -1.034 1.311 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.669 -1.151 0.258 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.736 0.410 1.839 1.00 9.55 C ATOM 0 H LEU A 43 3.188 -3.755 2.387 1.00 4.65 H new ATOM 0 HA LEU A 43 2.920 -1.227 3.815 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.334 -3.027 1.957 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.523 -1.775 2.878 1.00 3.74 H new ATOM 0 HG LEU A 43 2.777 -1.243 0.915 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.855 -0.442 -0.549 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.654 -2.164 -0.145 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.293 -0.930 0.720 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.959 1.102 1.027 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.742 0.621 2.233 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.474 0.532 2.632 1.00 9.55 H new ATOM 699 N ILE A 44 1.789 -1.717 5.763 1.00 4.58 N ATOM 700 CA ILE A 44 1.288 -1.892 7.090 1.00 5.55 C ATOM 701 C ILE A 44 0.087 -1.012 7.125 1.00 5.46 C ATOM 702 O ILE A 44 0.061 0.074 6.547 1.00 6.04 O ATOM 703 CB ILE A 44 2.259 -1.482 8.158 1.00 6.80 C ATOM 704 CG1 ILE A 44 3.614 -2.208 8.099 1.00 10.31 C ATOM 705 CG2 ILE A 44 1.670 -1.682 9.564 1.00 7.39 C ATOM 706 CD1 ILE A 44 3.583 -3.735 8.150 1.00 13.90 C ATOM 0 H ILE A 44 2.031 -0.745 5.569 1.00 4.58 H new ATOM 0 HA ILE A 44 1.084 -2.943 7.296 1.00 5.55 H new ATOM 0 HB ILE A 44 2.439 -0.425 7.960 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.119 -1.909 7.180 1.00 10.31 H new ATOM 0 HG13 ILE A 44 4.225 -1.853 8.929 1.00 10.31 H new ATOM 0 HG21 ILE A 44 2.401 -1.375 10.312 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.768 -1.080 9.670 1.00 7.39 H new ATOM 0 HG23 ILE A 44 1.423 -2.734 9.709 1.00 7.39 H new ATOM 0 HD11 ILE A 44 4.601 -4.121 8.101 1.00 13.90 H new ATOM 0 HD12 ILE A 44 3.117 -4.059 9.081 1.00 13.90 H new ATOM 0 HD13 ILE A 44 3.009 -4.116 7.305 1.00 13.90 H new ATOM 718 N PHE A 45 -1.016 -1.291 7.842 1.00 6.75 N ATOM 719 CA PHE A 45 -2.013 -0.378 8.310 1.00 4.70 C ATOM 720 C PHE A 45 -1.973 -0.622 9.779 1.00 6.34 C ATOM 721 O PHE A 45 -1.973 -1.765 10.233 1.00 5.45 O ATOM 722 CB PHE A 45 -3.398 -0.779 7.774 1.00 5.51 C ATOM 723 CG PHE A 45 -4.431 0.190 8.237 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.612 1.346 7.516 1.00 6.86 C ATOM 725 CD2 PHE A 45 -5.360 -0.163 9.187 1.00 5.87 C ATOM 726 CE1 PHE A 45 -5.571 2.230 7.952 1.00 6.68 C ATOM 727 CE2 PHE A 45 -6.264 0.760 9.659 1.00 6.64 C ATOM 728 CZ PHE A 45 -6.370 1.985 9.044 1.00 6.84 C ATOM 0 H PHE A 45 -1.228 -2.249 8.120 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.841 0.655 8.008 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -3.379 -0.809 6.685 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -3.651 -1.782 8.116 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.021 1.553 6.636 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -5.380 -1.174 9.566 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -5.702 3.157 7.413 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.887 0.524 10.509 1.00 6.64 H new ATOM 0 HZ PHE A 45 -7.060 2.732 9.408 1.00 6.84 H new ATOM 738 N ALA A 46 -1.784 0.448 10.572 1.00 6.53 N ATOM 739 CA ALA A 46 -1.686 0.362 11.996 1.00 7.15 C ATOM 740 C ALA A 46 -0.530 -0.463 12.449 1.00 9.00 C ATOM 741 O ALA A 46 0.622 -0.038 12.516 1.00 11.15 O ATOM 742 CB ALA A 46 -3.037 -0.028 12.618 1.00 8.99 C ATOM 0 H ALA A 46 -1.697 1.399 10.213 1.00 6.53 H new ATOM 0 HA ALA A 46 -1.457 1.357 12.379 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -2.935 -0.087 13.702 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -3.785 0.723 12.364 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -3.350 -0.997 12.230 1.00 8.99 H new ATOM 748 N GLY A 47 -0.727 -1.765 12.723 1.00 9.35 N ATOM 749 CA GLY A 47 0.407 -2.622 12.877 1.00 11.68 C ATOM 750 C GLY A 47 0.162 -4.025 12.439 1.00 11.14 C ATOM 751 O GLY A 47 0.830 -4.989 12.812 1.00 13.93 O ATOM 0 H GLY A 47 -1.637 -2.212 12.835 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.241 -2.213 12.306 1.00 11.68 H new ATOM 0 HA3 GLY A 47 0.709 -2.625 13.924 1.00 11.68 H new ATOM 755 N LYS A 48 -0.853 -4.146 11.566 1.00 10.47 N ATOM 756 CA LYS A 48 -1.207 -5.273 10.759 1.00 8.82 C ATOM 757 C LYS A 48 -0.481 -5.282 9.459 1.00 7.68 C ATOM 758 O LYS A 48 -0.610 -4.409 8.603 1.00 6.47 O ATOM 759 CB LYS A 48 -2.714 -5.318 10.452 1.00 9.74 C ATOM 760 CG LYS A 48 -3.519 -5.378 11.751 1.00 14.14 C ATOM 761 CD LYS A 48 -4.937 -5.902 11.513 1.00 16.32 C ATOM 762 CE LYS A 48 -5.586 -5.059 10.414 1.00 20.04 C ATOM 763 NZ LYS A 48 -7.055 -5.227 10.346 1.00 23.92 N ATOM 0 H LYS A 48 -1.494 -3.368 11.410 1.00 10.47 H new ATOM 0 HA LYS A 48 -0.924 -6.145 11.348 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -3.002 -4.437 9.878 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -2.941 -6.188 9.835 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -3.008 -6.022 12.467 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -3.568 -4.384 12.195 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -4.909 -6.951 11.219 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -5.522 -5.843 12.431 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -5.354 -4.008 10.585 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -5.150 -5.329 9.452 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -7.438 -4.632 9.584 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -7.282 -6.224 10.154 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -7.479 -4.944 11.252 1.00 23.92 H new ATOM 777 N GLN A 49 0.305 -6.331 9.155 1.00 8.89 N ATOM 778 CA GLN A 49 1.030 -6.551 7.942 1.00 7.18 C ATOM 779 C GLN A 49 0.181 -7.048 6.823 1.00 8.23 C ATOM 780 O GLN A 49 -0.602 -7.987 6.968 1.00 9.70 O ATOM 781 CB GLN A 49 2.219 -7.515 8.083 1.00 11.67 C ATOM 782 CG GLN A 49 3.159 -7.174 9.241 1.00 15.82 C ATOM 783 CD GLN A 49 4.096 -8.322 9.591 1.00 20.21 C ATOM 784 OE1 GLN A 49 4.874 -8.915 8.845 1.00 23.23 O ATOM 785 NE2 GLN A 49 3.942 -8.862 10.830 1.00 20.67 N ATOM 0 H GLN A 49 0.444 -7.092 9.820 1.00 8.89 H new ATOM 0 HA GLN A 49 1.405 -5.554 7.709 1.00 7.18 H new ATOM 0 HB2 GLN A 49 1.839 -8.527 8.222 1.00 11.67 H new ATOM 0 HB3 GLN A 49 2.788 -7.513 7.153 1.00 11.67 H new ATOM 0 HG2 GLN A 49 3.749 -6.295 8.979 1.00 15.82 H new ATOM 0 HG3 GLN A 49 2.568 -6.911 10.119 1.00 15.82 H new ATOM 0 HE21 GLN A 49 3.313 -8.424 11.503 1.00 20.67 H new ATOM 0 HE22 GLN A 49 4.456 -9.705 11.086 1.00 20.67 H new ATOM 794 N LEU A 50 0.233 -6.431 5.629 1.00 6.51 N ATOM 795 CA LEU A 50 -0.819 -6.422 4.660 1.00 7.41 C ATOM 796 C LEU A 50 -0.348 -7.301 3.553 1.00 8.27 C ATOM 797 O LEU A 50 0.706 -7.116 2.947 1.00 8.34 O ATOM 798 CB LEU A 50 -1.235 -5.041 4.127 1.00 7.13 C ATOM 799 CG LEU A 50 -1.960 -4.032 5.033 1.00 7.53 C ATOM 800 CD1 LEU A 50 -2.375 -2.780 4.242 1.00 9.11 C ATOM 801 CD2 LEU A 50 -3.174 -4.619 5.773 1.00 8.14 C ATOM 0 H LEU A 50 1.055 -5.910 5.323 1.00 6.51 H new ATOM 0 HA LEU A 50 -1.731 -6.775 5.141 1.00 7.41 H new ATOM 0 HB2 LEU A 50 -0.331 -4.553 3.763 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.875 -5.212 3.261 1.00 7.13 H new ATOM 0 HG LEU A 50 -1.236 -3.756 5.800 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.886 -2.083 4.906 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -1.488 -2.302 3.826 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -3.046 -3.067 3.432 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -3.632 -3.847 6.391 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -3.902 -4.982 5.047 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -2.850 -5.445 6.406 1.00 8.14 H new ATOM 813 N GLU A 51 -1.128 -8.330 3.176 1.00 9.43 N ATOM 814 CA GLU A 51 -0.690 -9.270 2.192 1.00 11.90 C ATOM 815 C GLU A 51 -1.139 -8.893 0.822 1.00 11.49 C ATOM 816 O GLU A 51 -2.291 -8.488 0.671 1.00 9.88 O ATOM 817 CB GLU A 51 -1.111 -10.715 2.507 1.00 16.56 C ATOM 818 CG GLU A 51 -0.666 -11.192 3.890 1.00 26.06 C ATOM 819 CD GLU A 51 -0.703 -12.709 4.018 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.057 -13.431 3.212 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.406 -13.164 4.960 1.00 32.13 O ATOM 0 H GLU A 51 -2.059 -8.511 3.551 1.00 9.43 H new ATOM 0 HA GLU A 51 0.399 -9.234 2.224 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -2.196 -10.793 2.436 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.694 -11.380 1.750 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.346 -10.838 4.086 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -1.311 -10.750 4.649 1.00 26.06 H new ATOM 828 N ASP A 52 -0.272 -9.038 -0.196 1.00 12.71 N ATOM 829 CA ASP A 52 -0.431 -8.742 -1.586 1.00 16.56 C ATOM 830 C ASP A 52 -1.691 -9.125 -2.282 1.00 15.83 C ATOM 831 O ASP A 52 -2.266 -8.298 -2.988 1.00 17.21 O ATOM 832 CB ASP A 52 0.760 -9.403 -2.300 1.00 21.05 C ATOM 833 CG ASP A 52 2.013 -8.783 -1.699 1.00 25.12 C ATOM 834 OD1 ASP A 52 2.416 -9.208 -0.583 1.00 28.37 O ATOM 835 OD2 ASP A 52 2.641 -7.891 -2.330 1.00 25.82 O ATOM 0 H ASP A 52 0.660 -9.412 -0.016 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.479 -7.654 -1.635 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.751 -10.483 -2.153 1.00 21.05 H new ATOM 0 HB3 ASP A 52 0.716 -9.227 -3.375 1.00 21.05 H new ATOM 840 N GLY A 53 -2.271 -10.325 -2.097 1.00 15.00 N ATOM 841 CA GLY A 53 -3.354 -10.824 -2.886 1.00 11.77 C ATOM 842 C GLY A 53 -4.674 -10.778 -2.198 1.00 11.10 C ATOM 843 O GLY A 53 -5.659 -11.356 -2.657 1.00 11.25 O ATOM 0 H GLY A 53 -1.973 -10.973 -1.368 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -3.416 -10.246 -3.808 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -3.139 -11.854 -3.170 1.00 11.77 H new ATOM 847 N ARG A 54 -4.784 -9.970 -1.128 1.00 8.53 N ATOM 848 CA ARG A 54 -6.059 -9.581 -0.609 1.00 9.05 C ATOM 849 C ARG A 54 -6.459 -8.260 -1.169 1.00 8.96 C ATOM 850 O ARG A 54 -5.650 -7.404 -1.523 1.00 11.60 O ATOM 851 CB ARG A 54 -5.930 -9.361 0.908 1.00 7.97 C ATOM 852 CG ARG A 54 -5.836 -10.657 1.716 1.00 9.62 C ATOM 853 CD ARG A 54 -7.123 -11.058 2.439 1.00 12.20 C ATOM 854 NE ARG A 54 -6.668 -12.175 3.314 1.00 18.23 N ATOM 855 CZ ARG A 54 -7.441 -13.044 4.028 1.00 22.08 C ATOM 856 NH1 ARG A 54 -8.793 -13.162 3.882 1.00 23.38 N ATOM 857 NH2 ARG A 54 -6.849 -13.839 4.967 1.00 25.50 N ATOM 0 H ARG A 54 -3.987 -9.585 -0.621 1.00 8.53 H new ATOM 0 HA ARG A 54 -6.782 -10.356 -0.862 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -5.044 -8.757 1.104 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -6.789 -8.788 1.257 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -5.545 -11.466 1.046 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -5.040 -10.552 2.453 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -7.537 -10.232 3.018 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -7.897 -11.378 1.742 1.00 12.20 H new ATOM 0 HE ARG A 54 -5.659 -12.306 3.388 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -9.286 -12.579 3.206 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -9.311 -13.833 4.449 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -5.843 -13.778 5.126 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -7.412 -14.494 5.509 1.00 25.50 H new ATOM 871 N THR A 55 -7.794 -8.146 -1.284 1.00 9.05 N ATOM 872 CA THR A 55 -8.499 -6.948 -1.620 1.00 9.03 C ATOM 873 C THR A 55 -8.423 -6.024 -0.454 1.00 8.15 C ATOM 874 O THR A 55 -8.471 -6.417 0.710 1.00 5.91 O ATOM 875 CB THR A 55 -9.938 -7.054 -2.032 1.00 11.15 C ATOM 876 OG1 THR A 55 -10.785 -7.358 -0.933 1.00 11.95 O ATOM 877 CG2 THR A 55 -10.003 -7.949 -3.281 1.00 11.71 C ATOM 0 H THR A 55 -8.418 -8.938 -1.133 1.00 9.05 H new ATOM 0 HA THR A 55 -7.996 -6.599 -2.521 1.00 9.03 H new ATOM 0 HB THR A 55 -10.360 -6.098 -2.343 1.00 11.15 H new ATOM 0 HG1 THR A 55 -11.565 -6.765 -0.947 1.00 11.95 H new ATOM 0 HG21 THR A 55 -11.039 -8.046 -3.606 1.00 11.71 H new ATOM 0 HG22 THR A 55 -9.412 -7.502 -4.080 1.00 11.71 H new ATOM 0 HG23 THR A 55 -9.604 -8.935 -3.043 1.00 11.71 H new ATOM 885 N LEU A 56 -8.371 -4.718 -0.774 1.00 6.91 N ATOM 886 CA LEU A 56 -8.687 -3.700 0.179 1.00 8.29 C ATOM 887 C LEU A 56 -9.962 -3.882 0.929 1.00 8.05 C ATOM 888 O LEU A 56 -9.978 -3.689 2.144 1.00 10.17 O ATOM 889 CB LEU A 56 -8.740 -2.317 -0.490 1.00 6.60 C ATOM 890 CG LEU A 56 -7.379 -1.666 -0.791 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.618 -0.327 -1.508 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.507 -1.369 0.440 1.00 9.85 C ATOM 0 H LEU A 56 -8.109 -4.367 -1.695 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.877 -3.779 0.904 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.293 -2.408 -1.425 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -9.309 -1.645 0.153 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.840 -2.396 -1.395 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.660 0.145 -1.727 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.157 -0.504 -2.439 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.207 0.329 -0.867 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.571 -0.912 0.121 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -7.036 -0.686 1.105 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -6.295 -2.298 0.969 1.00 9.85 H new ATOM 904 N SER A 57 -11.128 -4.160 0.319 1.00 8.92 N ATOM 905 CA SER A 57 -12.318 -4.616 0.967 1.00 9.00 C ATOM 906 C SER A 57 -12.231 -5.763 1.914 1.00 9.44 C ATOM 907 O SER A 57 -12.892 -5.705 2.950 1.00 10.91 O ATOM 908 CB SER A 57 -13.460 -4.844 -0.038 1.00 10.32 C ATOM 909 OG SER A 57 -13.003 -5.603 -1.148 1.00 13.59 O ATOM 0 H SER A 57 -11.246 -4.060 -0.689 1.00 8.92 H new ATOM 0 HA SER A 57 -12.526 -3.775 1.628 1.00 9.00 H new ATOM 0 HB2 SER A 57 -14.284 -5.364 0.451 1.00 10.32 H new ATOM 0 HB3 SER A 57 -13.847 -3.885 -0.381 1.00 10.32 H new ATOM 0 HG SER A 57 -12.533 -5.015 -1.775 1.00 13.59 H new ATOM 915 N ASP A 58 -11.367 -6.765 1.673 1.00 9.11 N ATOM 916 CA ASP A 58 -11.281 -7.896 2.543 1.00 7.91 C ATOM 917 C ASP A 58 -10.546 -7.647 3.815 1.00 9.12 C ATOM 918 O ASP A 58 -10.744 -8.168 4.911 1.00 8.61 O ATOM 919 CB ASP A 58 -10.748 -9.054 1.682 1.00 8.41 C ATOM 920 CG ASP A 58 -11.231 -10.443 2.073 1.00 11.50 C ATOM 921 OD1 ASP A 58 -12.386 -10.830 1.752 1.00 10.05 O ATOM 922 OD2 ASP A 58 -10.463 -11.177 2.751 1.00 11.70 O ATOM 0 H ASP A 58 -10.729 -6.792 0.877 1.00 9.11 H new ATOM 0 HA ASP A 58 -12.263 -8.155 2.939 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -11.029 -8.870 0.645 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -9.659 -9.043 1.724 1.00 8.41 H new ATOM 927 N TYR A 59 -9.635 -6.663 3.704 1.00 7.97 N ATOM 928 CA TYR A 59 -8.969 -6.063 4.818 1.00 8.45 C ATOM 929 C TYR A 59 -9.635 -4.908 5.483 1.00 10.98 C ATOM 930 O TYR A 59 -9.065 -4.418 6.457 1.00 12.95 O ATOM 931 CB TYR A 59 -7.593 -5.481 4.454 1.00 7.94 C ATOM 932 CG TYR A 59 -6.469 -6.450 4.591 1.00 6.91 C ATOM 933 CD1 TYR A 59 -6.171 -6.844 5.874 1.00 6.98 C ATOM 934 CD2 TYR A 59 -5.741 -6.899 3.515 1.00 4.59 C ATOM 935 CE1 TYR A 59 -5.074 -7.638 6.111 1.00 6.52 C ATOM 936 CE2 TYR A 59 -4.637 -7.682 3.756 1.00 5.39 C ATOM 937 CZ TYR A 59 -4.360 -8.108 5.034 1.00 6.76 C ATOM 938 OH TYR A 59 -3.422 -9.143 5.235 1.00 7.63 O ATOM 0 H TYR A 59 -9.352 -6.271 2.806 1.00 7.97 H new ATOM 0 HA TYR A 59 -8.948 -6.924 5.486 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -7.624 -5.119 3.426 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -7.395 -4.618 5.090 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -6.798 -6.530 6.695 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -6.029 -6.643 2.506 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -4.780 -7.887 7.120 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.987 -7.963 2.941 1.00 5.39 H new ATOM 0 HH TYR A 59 -3.427 -9.744 4.461 1.00 7.63 H new ATOM 948 N ASN A 60 -10.833 -4.558 4.980 1.00 12.38 N ATOM 949 CA ASN A 60 -11.754 -3.599 5.507 1.00 13.94 C ATOM 950 C ASN A 60 -11.281 -2.199 5.310 1.00 14.16 C ATOM 951 O ASN A 60 -11.528 -1.348 6.163 1.00 14.26 O ATOM 952 CB ASN A 60 -12.073 -3.854 6.990 1.00 19.23 C ATOM 953 CG ASN A 60 -12.657 -5.252 7.136 1.00 22.65 C ATOM 954 OD1 ASN A 60 -13.706 -5.586 6.586 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.952 -6.139 7.888 1.00 24.09 N ATOM 0 H ASN A 60 -11.187 -4.988 4.125 1.00 12.38 H new ATOM 0 HA ASN A 60 -12.676 -3.725 4.940 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -11.169 -3.758 7.592 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -12.780 -3.110 7.357 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.291 -7.094 8.002 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -11.084 -5.849 8.338 1.00 24.09 H new ATOM 962 N ILE A 61 -10.543 -1.907 4.224 1.00 11.08 N ATOM 963 CA ILE A 61 -9.901 -0.633 4.125 1.00 11.78 C ATOM 964 C ILE A 61 -10.821 0.344 3.478 1.00 13.74 C ATOM 965 O ILE A 61 -11.295 0.099 2.369 1.00 14.60 O ATOM 966 CB ILE A 61 -8.585 -0.832 3.432 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.651 -1.886 4.051 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.802 0.490 3.373 1.00 13.29 C ATOM 969 CD1 ILE A 61 -6.917 -1.662 5.372 1.00 11.42 C ATOM 0 H ILE A 61 -10.393 -2.534 3.434 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.678 -0.200 5.100 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.871 -1.199 2.446 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -8.243 -2.793 4.174 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.888 -2.103 3.304 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.850 0.327 2.867 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.382 1.232 2.825 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.618 0.849 4.385 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -6.318 -2.541 5.609 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -6.266 -0.792 5.284 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -7.643 -1.493 6.167 1.00 11.42 H new ATOM 981 N GLN A 62 -11.209 1.438 4.156 1.00 13.97 N ATOM 982 CA GLN A 62 -12.097 2.429 3.632 1.00 15.52 C ATOM 983 C GLN A 62 -11.275 3.629 3.309 1.00 13.94 C ATOM 984 O GLN A 62 -10.069 3.626 3.550 1.00 12.15 O ATOM 985 CB GLN A 62 -13.185 2.940 4.592 1.00 19.53 C ATOM 986 CG GLN A 62 -14.238 1.908 4.999 1.00 26.38 C ATOM 987 CD GLN A 62 -15.037 2.390 6.202 1.00 30.61 C ATOM 988 OE1 GLN A 62 -15.513 3.525 6.204 1.00 33.23 O ATOM 989 NE2 GLN A 62 -15.375 1.514 7.186 1.00 32.71 N ATOM 0 H GLN A 62 -10.893 1.640 5.104 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.601 1.947 2.794 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.702 3.317 5.494 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.691 3.785 4.124 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -14.911 1.720 4.162 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -13.752 0.961 5.236 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -14.983 0.573 7.188 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -16.021 1.799 7.922 1.00 32.71 H new ATOM 998 N LYS A 63 -11.898 4.629 2.660 1.00 11.73 N ATOM 999 CA LYS A 63 -11.125 5.759 2.248 1.00 11.97 C ATOM 1000 C LYS A 63 -10.670 6.614 3.380 1.00 10.41 C ATOM 1001 O LYS A 63 -11.167 6.515 4.501 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.040 6.570 1.315 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.424 6.879 1.890 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.309 7.777 1.023 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.641 8.009 1.738 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.533 8.852 0.911 1.00 25.97 N ATOM 0 H LYS A 63 -12.891 4.659 2.428 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.211 5.417 1.762 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -11.545 7.510 1.069 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -12.163 6.021 0.381 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -13.947 5.938 2.060 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.297 7.353 2.863 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -13.811 8.729 0.837 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -14.480 7.312 0.052 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.122 7.053 1.943 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.465 8.490 2.700 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -17.433 9.000 1.411 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.079 9.771 0.737 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -16.715 8.378 0.003 1.00 25.97 H new ATOM 1020 N GLU A 64 -9.637 7.430 3.106 1.00 10.04 N ATOM 1021 CA GLU A 64 -8.872 8.173 4.059 1.00 10.94 C ATOM 1022 C GLU A 64 -8.047 7.403 5.032 1.00 9.74 C ATOM 1023 O GLU A 64 -7.468 7.882 6.005 1.00 9.42 O ATOM 1024 CB GLU A 64 -9.678 9.279 4.761 1.00 18.31 C ATOM 1025 CG GLU A 64 -10.221 10.327 3.787 1.00 24.16 C ATOM 1026 CD GLU A 64 -10.896 11.537 4.416 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -11.914 11.463 5.155 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -10.454 12.695 4.191 1.00 32.61 O ATOM 0 H GLU A 64 -9.314 7.581 2.150 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.131 8.638 3.409 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -10.509 8.828 5.303 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -9.045 9.770 5.500 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -9.397 10.678 3.166 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -10.936 9.841 3.123 1.00 24.16 H new ATOM 1035 N SER A 65 -7.997 6.091 4.738 1.00 6.85 N ATOM 1036 CA SER A 65 -7.100 5.264 5.485 1.00 6.90 C ATOM 1037 C SER A 65 -5.666 5.535 5.186 1.00 4.72 C ATOM 1038 O SER A 65 -5.256 5.759 4.048 1.00 3.91 O ATOM 1039 CB SER A 65 -7.267 3.770 5.160 1.00 7.28 C ATOM 1040 OG SER A 65 -8.519 3.265 5.601 1.00 10.56 O ATOM 0 H SER A 65 -8.548 5.620 4.020 1.00 6.85 H new ATOM 0 HA SER A 65 -7.351 5.498 6.519 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.175 3.621 4.084 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.462 3.205 5.630 1.00 7.28 H new ATOM 0 HG SER A 65 -9.141 3.227 4.845 1.00 10.56 H new ATOM 1046 N THR A 66 -4.787 5.632 6.199 1.00 4.48 N ATOM 1047 CA THR A 66 -3.424 6.003 5.974 1.00 3.80 C ATOM 1048 C THR A 66 -2.605 4.790 6.251 1.00 4.60 C ATOM 1049 O THR A 66 -2.733 4.301 7.372 1.00 5.33 O ATOM 1050 CB THR A 66 -2.857 7.060 6.874 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.637 8.246 6.833 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.506 7.417 6.230 1.00 3.40 C ATOM 0 H THR A 66 -5.020 5.453 7.176 1.00 4.48 H new ATOM 0 HA THR A 66 -3.397 6.400 4.959 1.00 3.80 H new ATOM 0 HB THR A 66 -2.809 6.704 7.903 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.245 8.916 7.430 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.013 8.188 6.822 1.00 3.40 H new ATOM 0 HG22 THR A 66 -0.875 6.529 6.193 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.672 7.787 5.218 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.814 4.311 5.274 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.110 3.072 5.380 1.00 3.85 C ATOM 1062 C LEU A 67 0.275 3.559 5.636 1.00 3.80 C ATOM 1063 O LEU A 67 0.638 4.709 5.391 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.098 2.143 4.153 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.426 1.451 3.805 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.573 2.320 3.261 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.151 0.319 2.800 1.00 8.12 C ATOM 0 H LEU A 67 -1.661 4.797 4.390 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.586 2.440 6.129 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.779 2.724 3.288 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.344 1.373 4.315 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.794 1.105 4.771 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.442 1.693 3.062 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -3.835 3.080 3.997 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -3.256 2.804 2.337 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.087 -0.178 2.547 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -1.705 0.735 1.896 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -1.465 -0.403 3.244 1.00 8.12 H new ATOM 1079 N HIS A 68 1.130 2.629 6.096 1.00 2.94 N ATOM 1080 CA HIS A 68 2.505 2.851 6.421 1.00 4.17 C ATOM 1081 C HIS A 68 3.368 1.922 5.638 1.00 5.32 C ATOM 1082 O HIS A 68 3.011 0.746 5.609 1.00 7.70 O ATOM 1083 CB HIS A 68 2.948 2.725 7.889 1.00 5.57 C ATOM 1084 CG HIS A 68 2.272 3.759 8.738 1.00 9.95 C ATOM 1085 ND1 HIS A 68 2.261 5.104 8.429 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.154 3.596 9.496 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.244 5.747 9.063 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.579 4.827 9.736 1.00 16.30 N ATOM 0 H HIS A 68 0.843 1.662 6.250 1.00 2.94 H new ATOM 0 HA HIS A 68 2.621 3.906 6.174 1.00 4.17 H new ATOM 0 HB2 HIS A 68 2.709 1.729 8.262 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.030 2.841 7.959 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.775 2.650 9.854 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.024 6.804 9.023 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.228 4.998 10.336 1.00 16.30 H new ATOM 1096 N LEU A 69 4.419 2.440 4.979 1.00 5.29 N ATOM 1097 CA LEU A 69 5.419 1.608 4.385 1.00 3.97 C ATOM 1098 C LEU A 69 6.520 1.148 5.278 1.00 5.07 C ATOM 1099 O LEU A 69 7.141 1.953 5.970 1.00 4.34 O ATOM 1100 CB LEU A 69 5.958 2.337 3.142 1.00 6.08 C ATOM 1101 CG LEU A 69 6.700 1.485 2.098 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.681 0.604 1.357 1.00 9.96 C ATOM 1103 CD2 LEU A 69 7.324 2.397 1.028 1.00 6.87 C ATOM 0 H LEU A 69 4.577 3.440 4.857 1.00 5.29 H new ATOM 0 HA LEU A 69 4.929 0.669 4.125 1.00 3.97 H new ATOM 0 HB2 LEU A 69 5.119 2.826 2.646 1.00 6.08 H new ATOM 0 HB3 LEU A 69 6.633 3.125 3.478 1.00 6.08 H new ATOM 0 HG LEU A 69 7.460 0.895 2.611 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.198 -0.004 0.614 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.176 -0.047 2.071 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.946 1.237 0.860 1.00 9.96 H new ATOM 0 HD21 LEU A 69 7.848 1.788 0.291 1.00 6.87 H new ATOM 0 HD22 LEU A 69 6.538 2.968 0.534 1.00 6.87 H new ATOM 0 HD23 LEU A 69 8.028 3.082 1.500 1.00 6.87 H new ATOM 1115 N VAL A 70 6.900 -0.142 5.254 1.00 4.29 N ATOM 1116 CA VAL A 70 8.069 -0.643 5.907 1.00 6.26 C ATOM 1117 C VAL A 70 8.931 -1.275 4.869 1.00 9.22 C ATOM 1118 O VAL A 70 8.484 -1.418 3.732 1.00 9.36 O ATOM 1119 CB VAL A 70 7.842 -1.515 7.106 1.00 8.69 C ATOM 1120 CG1 VAL A 70 6.946 -0.767 8.108 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.220 -2.849 6.660 1.00 8.54 C ATOM 0 H VAL A 70 6.373 -0.863 4.761 1.00 4.29 H new ATOM 0 HA VAL A 70 8.575 0.206 6.366 1.00 6.26 H new ATOM 0 HB VAL A 70 8.786 -1.741 7.601 1.00 8.69 H new ATOM 0 HG11 VAL A 70 6.776 -1.394 8.983 1.00 9.76 H new ATOM 0 HG12 VAL A 70 7.435 0.158 8.414 1.00 9.76 H new ATOM 0 HG13 VAL A 70 5.991 -0.533 7.638 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.055 -3.483 7.531 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.268 -2.659 6.164 1.00 8.54 H new ATOM 0 HG23 VAL A 70 7.895 -3.352 5.968 1.00 8.54 H new ATOM 1131 N LEU A 71 10.225 -1.576 5.081 1.00 12.71 N ATOM 1132 CA LEU A 71 11.085 -2.027 4.032 1.00 16.06 C ATOM 1133 C LEU A 71 11.032 -3.514 4.109 1.00 18.09 C ATOM 1134 O LEU A 71 11.101 -4.060 5.209 1.00 19.26 O ATOM 1135 CB LEU A 71 12.531 -1.659 4.405 1.00 17.10 C ATOM 1136 CG LEU A 71 13.542 -2.020 3.304 1.00 19.37 C ATOM 1137 CD1 LEU A 71 13.045 -1.443 1.968 1.00 19.57 C ATOM 1138 CD2 LEU A 71 14.971 -1.599 3.686 1.00 17.51 C ATOM 0 H LEU A 71 10.680 -1.505 5.991 1.00 12.71 H new ATOM 0 HA LEU A 71 10.800 -1.610 3.066 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.588 -0.589 4.607 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.805 -2.173 5.326 1.00 17.10 H new ATOM 0 HG LEU A 71 13.605 -3.102 3.187 1.00 19.37 H new ATOM 0 HD11 LEU A 71 13.754 -1.692 1.178 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.070 -1.868 1.728 1.00 19.57 H new ATOM 0 HD13 LEU A 71 12.958 -0.359 2.049 1.00 19.57 H new ATOM 0 HD21 LEU A 71 15.657 -1.871 2.884 1.00 17.51 H new ATOM 0 HD22 LEU A 71 15.003 -0.521 3.842 1.00 17.51 H new ATOM 0 HD23 LEU A 71 15.267 -2.107 4.604 1.00 17.51 H new