USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 581 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 5 GLN : amide:sc= -2.6 K(o=-2.6,f=-5.3!) USER MOD Set 1.2: A 7 TYR OH : rot 31:sc= 0.0458 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.13 (180deg=-0.112!) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.107) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0301 USER MOD Single : A 15 GLN : amide:sc= -2.99 K(o=-3,f=-4.7) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.4!) USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= -0.457 (180deg=-0.758) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.0179 (180deg=-0.147) USER MOD Single : A 40 MET CE :methyl -166:sc= 0 (180deg=-0.274) USER MOD Single : A 42 GLN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -124:sc= -0.0773 (180deg=-0.506) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.265 -10.557 -8.176 1.00 0.00 N ATOM 2 CA MET A 1 4.776 -9.162 -8.145 1.00 0.00 C ATOM 3 C MET A 1 3.633 -8.156 -8.065 1.00 0.00 C ATOM 4 O MET A 1 3.281 -7.529 -9.065 1.00 0.00 O ATOM 5 CB MET A 1 5.605 -8.922 -9.408 1.00 0.00 C ATOM 6 CG MET A 1 7.098 -9.102 -9.197 1.00 0.00 C ATOM 7 SD MET A 1 7.670 -10.751 -9.649 1.00 0.00 S ATOM 8 CE MET A 1 8.479 -10.414 -11.211 1.00 0.00 C ATOM 0 H1 MET A 1 4.984 -11.181 -8.594 1.00 0.00 H new ATOM 0 H2 MET A 1 4.055 -10.871 -7.207 1.00 0.00 H new ATOM 0 H3 MET A 1 3.398 -10.596 -8.749 1.00 0.00 H new ATOM 0 HA MET A 1 5.393 -9.025 -7.257 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.271 -9.607 -10.187 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.417 -7.911 -9.770 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.636 -8.361 -9.787 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.339 -8.912 -8.151 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.886 -11.340 -11.617 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.757 -9.996 -11.912 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.288 -9.700 -11.055 1.00 0.00 H new ATOM 20 N MET A 2 3.052 -7.995 -6.876 1.00 0.00 N ATOM 21 CA MET A 2 1.955 -7.050 -6.706 1.00 0.00 C ATOM 22 C MET A 2 2.479 -5.615 -6.655 1.00 0.00 C ATOM 23 O MET A 2 3.163 -5.225 -5.710 1.00 0.00 O ATOM 24 CB MET A 2 1.165 -7.371 -5.434 1.00 0.00 C ATOM 25 CG MET A 2 -0.138 -8.107 -5.697 1.00 0.00 C ATOM 26 SD MET A 2 -1.430 -7.675 -4.515 1.00 0.00 S ATOM 27 CE MET A 2 -2.682 -8.887 -4.926 1.00 0.00 C ATOM 0 H MET A 2 3.319 -8.499 -6.030 1.00 0.00 H new ATOM 0 HA MET A 2 1.290 -7.143 -7.564 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.787 -7.975 -4.773 1.00 0.00 H new ATOM 0 HB3 MET A 2 0.948 -6.442 -4.907 1.00 0.00 H new ATOM 0 HG2 MET A 2 -0.483 -7.879 -6.706 1.00 0.00 H new ATOM 0 HG3 MET A 2 0.041 -9.181 -5.657 1.00 0.00 H new ATOM 0 HE1 MET A 2 -3.548 -8.749 -4.279 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.983 -8.761 -5.966 1.00 0.00 H new ATOM 0 HE3 MET A 2 -2.278 -9.890 -4.784 1.00 0.00 H new ATOM 37 N LYS A 3 2.152 -4.828 -7.676 1.00 0.00 N ATOM 38 CA LYS A 3 2.593 -3.439 -7.734 1.00 0.00 C ATOM 39 C LYS A 3 1.884 -2.620 -6.667 1.00 0.00 C ATOM 40 O LYS A 3 0.726 -2.234 -6.828 1.00 0.00 O ATOM 41 CB LYS A 3 2.320 -2.849 -9.118 1.00 0.00 C ATOM 42 CG LYS A 3 0.848 -2.860 -9.501 1.00 0.00 C ATOM 43 CD LYS A 3 0.636 -3.402 -10.906 1.00 0.00 C ATOM 44 CE LYS A 3 0.082 -2.337 -11.838 1.00 0.00 C ATOM 45 NZ LYS A 3 1.005 -1.176 -11.964 1.00 0.00 N ATOM 0 H LYS A 3 1.586 -5.127 -8.470 1.00 0.00 H new ATOM 0 HA LYS A 3 3.667 -3.407 -7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.687 -1.823 -9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.885 -3.410 -9.862 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.291 -3.469 -8.788 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.448 -1.848 -9.437 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.582 -3.775 -11.300 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.050 -4.248 -10.871 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.092 -2.771 -12.823 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.883 -1.995 -11.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.748 -0.618 -12.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.931 -0.580 -11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.982 -1.518 -12.062 1.00 0.00 H new ATOM 59 N ILE A 4 2.586 -2.370 -5.569 1.00 0.00 N ATOM 60 CA ILE A 4 2.026 -1.611 -4.463 1.00 0.00 C ATOM 61 C ILE A 4 2.690 -0.243 -4.330 1.00 0.00 C ATOM 62 O ILE A 4 3.916 -0.131 -4.305 1.00 0.00 O ATOM 63 CB ILE A 4 2.168 -2.394 -3.139 1.00 0.00 C ATOM 64 CG1 ILE A 4 1.147 -3.528 -3.087 1.00 0.00 C ATOM 65 CG2 ILE A 4 2.001 -1.476 -1.938 1.00 0.00 C ATOM 66 CD1 ILE A 4 1.732 -4.835 -2.611 1.00 0.00 C ATOM 0 H ILE A 4 3.546 -2.683 -5.422 1.00 0.00 H new ATOM 0 HA ILE A 4 0.968 -1.457 -4.676 1.00 0.00 H new ATOM 0 HB ILE A 4 3.171 -2.818 -3.101 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.329 -3.242 -2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.720 -3.669 -4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.106 -2.055 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.764 -0.698 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.013 -1.016 -1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.954 -5.598 -2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.531 -5.143 -3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.134 -4.709 -1.606 1.00 0.00 H new ATOM 78 N GLN A 5 1.861 0.789 -4.236 1.00 0.00 N ATOM 79 CA GLN A 5 2.343 2.160 -4.093 1.00 0.00 C ATOM 80 C GLN A 5 2.021 2.689 -2.697 1.00 0.00 C ATOM 81 O GLN A 5 0.976 2.356 -2.134 1.00 0.00 O ATOM 82 CB GLN A 5 1.718 3.052 -5.165 1.00 0.00 C ATOM 83 CG GLN A 5 1.946 2.545 -6.580 1.00 0.00 C ATOM 84 CD GLN A 5 0.787 2.856 -7.508 1.00 0.00 C ATOM 85 OE1 GLN A 5 0.718 3.935 -8.095 1.00 0.00 O ATOM 86 NE2 GLN A 5 -0.131 1.906 -7.646 1.00 0.00 N ATOM 0 H GLN A 5 0.845 0.703 -4.256 1.00 0.00 H new ATOM 0 HA GLN A 5 3.425 2.170 -4.224 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.646 3.130 -4.983 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.130 4.057 -5.076 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.856 2.993 -6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.106 1.467 -6.554 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.034 1.026 -7.140 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.933 2.057 -8.258 1.00 0.00 H new ATOM 95 N ILE A 6 2.916 3.505 -2.135 1.00 0.00 N ATOM 96 CA ILE A 6 2.708 4.051 -0.797 1.00 0.00 C ATOM 97 C ILE A 6 2.869 5.561 -0.795 1.00 0.00 C ATOM 98 O ILE A 6 3.978 6.077 -0.930 1.00 0.00 O ATOM 99 CB ILE A 6 3.686 3.443 0.239 1.00 0.00 C ATOM 100 CG1 ILE A 6 4.600 2.396 -0.409 1.00 0.00 C ATOM 101 CG2 ILE A 6 2.916 2.832 1.399 1.00 0.00 C ATOM 102 CD1 ILE A 6 3.865 1.167 -0.898 1.00 0.00 C ATOM 0 H ILE A 6 3.784 3.799 -2.583 1.00 0.00 H new ATOM 0 HA ILE A 6 1.690 3.787 -0.512 1.00 0.00 H new ATOM 0 HB ILE A 6 4.315 4.247 0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.124 2.853 -1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.358 2.092 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.617 2.409 2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.318 3.603 1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.260 2.045 1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.576 0.471 -1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.364 0.685 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.125 1.458 -1.644 1.00 0.00 H new ATOM 114 N TYR A 7 1.756 6.269 -0.654 1.00 0.00 N ATOM 115 CA TYR A 7 1.783 7.721 -0.649 1.00 0.00 C ATOM 116 C TYR A 7 1.717 8.274 0.766 1.00 0.00 C ATOM 117 O TYR A 7 0.708 8.138 1.455 1.00 0.00 O ATOM 118 CB TYR A 7 0.637 8.256 -1.510 1.00 0.00 C ATOM 119 CG TYR A 7 0.617 7.664 -2.909 1.00 0.00 C ATOM 120 CD1 TYR A 7 1.707 6.956 -3.412 1.00 0.00 C ATOM 121 CD2 TYR A 7 -0.499 7.784 -3.717 1.00 0.00 C ATOM 122 CE1 TYR A 7 1.680 6.391 -4.667 1.00 0.00 C ATOM 123 CE2 TYR A 7 -0.526 7.224 -4.974 1.00 0.00 C ATOM 124 CZ TYR A 7 0.559 6.526 -5.444 1.00 0.00 C ATOM 125 OH TYR A 7 0.522 5.966 -6.700 1.00 0.00 O ATOM 0 H TYR A 7 0.828 5.861 -0.542 1.00 0.00 H new ATOM 0 HA TYR A 7 2.729 8.055 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.311 8.041 -1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.720 9.340 -1.582 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.593 6.848 -2.804 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.362 8.325 -3.357 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.536 5.845 -5.037 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.404 7.334 -5.593 1.00 0.00 H new ATOM 0 HH TYR A 7 1.073 5.156 -6.713 1.00 0.00 H new ATOM 135 N GLY A 8 2.815 8.896 1.192 1.00 0.00 N ATOM 136 CA GLY A 8 2.875 9.461 2.525 1.00 0.00 C ATOM 137 C GLY A 8 4.295 9.718 2.984 1.00 0.00 C ATOM 138 O GLY A 8 4.933 10.674 2.542 1.00 0.00 O ATOM 0 H GLY A 8 3.662 9.017 0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.316 10.396 2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.388 8.783 3.226 1.00 0.00 H new ATOM 142 N THR A 9 4.791 8.861 3.870 1.00 0.00 N ATOM 143 CA THR A 9 6.145 8.993 4.395 1.00 0.00 C ATOM 144 C THR A 9 6.311 10.304 5.163 1.00 0.00 C ATOM 145 O THR A 9 5.856 11.358 4.718 1.00 0.00 O ATOM 146 CB THR A 9 7.201 8.893 3.264 1.00 0.00 C ATOM 147 OG1 THR A 9 8.229 7.970 3.641 1.00 0.00 O ATOM 148 CG2 THR A 9 7.830 10.244 2.938 1.00 0.00 C ATOM 0 H THR A 9 4.273 8.064 4.241 1.00 0.00 H new ATOM 0 HA THR A 9 6.308 8.166 5.086 1.00 0.00 H new ATOM 0 HB THR A 9 6.686 8.542 2.370 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.893 7.909 2.923 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.563 10.121 2.140 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.054 10.938 2.615 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.323 10.639 3.826 1.00 0.00 H new ATOM 156 N GLY A 10 6.960 10.230 6.319 1.00 0.00 N ATOM 157 CA GLY A 10 7.170 11.417 7.130 1.00 0.00 C ATOM 158 C GLY A 10 5.873 12.130 7.461 1.00 0.00 C ATOM 159 O GLY A 10 5.865 13.336 7.709 1.00 0.00 O ATOM 0 H GLY A 10 7.345 9.370 6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.673 11.137 8.055 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.833 12.102 6.601 1.00 0.00 H new ATOM 163 N CYS A 11 4.774 11.382 7.466 1.00 0.00 N ATOM 164 CA CYS A 11 3.464 11.948 7.768 1.00 0.00 C ATOM 165 C CYS A 11 2.400 10.856 7.801 1.00 0.00 C ATOM 166 O CYS A 11 1.842 10.550 8.855 1.00 0.00 O ATOM 167 CB CYS A 11 3.094 13.011 6.731 1.00 0.00 C ATOM 168 SG CYS A 11 2.587 14.593 7.447 1.00 0.00 S ATOM 0 H CYS A 11 4.765 10.382 7.264 1.00 0.00 H new ATOM 0 HA CYS A 11 3.511 12.415 8.752 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.949 13.178 6.076 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.285 12.630 6.108 1.00 0.00 H new ATOM 0 HG CYS A 11 2.296 15.428 6.494 1.00 0.00 H new ATOM 174 N ALA A 12 2.126 10.268 6.641 1.00 0.00 N ATOM 175 CA ALA A 12 1.132 9.208 6.538 1.00 0.00 C ATOM 176 C ALA A 12 1.628 7.929 7.206 1.00 0.00 C ATOM 177 O ALA A 12 2.792 7.553 7.064 1.00 0.00 O ATOM 178 CB ALA A 12 0.785 8.951 5.077 1.00 0.00 C ATOM 0 H ALA A 12 2.579 10.508 5.759 1.00 0.00 H new ATOM 0 HA ALA A 12 0.231 9.531 7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.041 8.157 5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.382 9.861 4.633 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.683 8.651 4.537 1.00 0.00 H new ATOM 184 N ASN A 13 0.737 7.267 7.941 1.00 0.00 N ATOM 185 CA ASN A 13 1.078 6.030 8.642 1.00 0.00 C ATOM 186 C ASN A 13 1.156 4.830 7.692 1.00 0.00 C ATOM 187 O ASN A 13 1.175 3.683 8.139 1.00 0.00 O ATOM 188 CB ASN A 13 0.050 5.750 9.741 1.00 0.00 C ATOM 189 CG ASN A 13 0.451 6.352 11.073 1.00 0.00 C ATOM 190 OD1 ASN A 13 0.585 7.569 11.203 1.00 0.00 O ATOM 191 ND2 ASN A 13 0.642 5.500 12.075 1.00 0.00 N ATOM 0 H ASN A 13 -0.230 7.567 8.067 1.00 0.00 H new ATOM 0 HA ASN A 13 2.065 6.169 9.083 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.918 6.151 9.440 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.073 4.673 9.854 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.910 5.847 12.996 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.520 4.499 11.923 1.00 0.00 H new ATOM 198 N CYS A 14 1.196 5.091 6.388 1.00 0.00 N ATOM 199 CA CYS A 14 1.266 4.015 5.397 1.00 0.00 C ATOM 200 C CYS A 14 2.470 3.109 5.649 1.00 0.00 C ATOM 201 O CYS A 14 2.446 1.921 5.327 1.00 0.00 O ATOM 202 CB CYS A 14 1.343 4.589 3.980 1.00 0.00 C ATOM 203 SG CYS A 14 2.531 5.938 3.790 1.00 0.00 S ATOM 0 H CYS A 14 1.181 6.031 5.992 1.00 0.00 H new ATOM 0 HA CYS A 14 0.357 3.421 5.494 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.607 3.788 3.289 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.355 4.947 3.691 1.00 0.00 H new ATOM 0 HG CYS A 14 2.523 6.353 2.558 1.00 0.00 H new ATOM 209 N GLN A 15 3.522 3.682 6.224 1.00 0.00 N ATOM 210 CA GLN A 15 4.742 2.947 6.523 1.00 0.00 C ATOM 211 C GLN A 15 4.450 1.687 7.343 1.00 0.00 C ATOM 212 O GLN A 15 5.110 0.661 7.174 1.00 0.00 O ATOM 213 CB GLN A 15 5.706 3.883 7.263 1.00 0.00 C ATOM 214 CG GLN A 15 6.424 3.258 8.453 1.00 0.00 C ATOM 215 CD GLN A 15 5.556 3.197 9.694 1.00 0.00 C ATOM 216 OE1 GLN A 15 5.324 2.124 10.252 1.00 0.00 O ATOM 217 NE2 GLN A 15 5.070 4.352 10.133 1.00 0.00 N ATOM 0 H GLN A 15 3.552 4.665 6.494 1.00 0.00 H new ATOM 0 HA GLN A 15 5.201 2.612 5.593 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.453 4.244 6.556 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.149 4.753 7.610 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.746 2.250 8.190 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.324 3.833 8.672 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.288 5.218 9.639 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.479 4.374 10.964 1.00 0.00 H new ATOM 226 N MET A 16 3.464 1.771 8.231 1.00 0.00 N ATOM 227 CA MET A 16 3.098 0.636 9.072 1.00 0.00 C ATOM 228 C MET A 16 2.555 -0.518 8.233 1.00 0.00 C ATOM 229 O MET A 16 3.139 -1.603 8.198 1.00 0.00 O ATOM 230 CB MET A 16 2.057 1.059 10.111 1.00 0.00 C ATOM 231 CG MET A 16 1.821 0.021 11.195 1.00 0.00 C ATOM 232 SD MET A 16 3.213 -0.124 12.331 1.00 0.00 S ATOM 233 CE MET A 16 2.360 -0.430 13.877 1.00 0.00 C ATOM 0 H MET A 16 2.906 2.610 8.387 1.00 0.00 H new ATOM 0 HA MET A 16 3.997 0.294 9.584 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.378 1.991 10.576 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.114 1.264 9.605 1.00 0.00 H new ATOM 0 HG2 MET A 16 0.925 0.285 11.756 1.00 0.00 H new ATOM 0 HG3 MET A 16 1.633 -0.947 10.731 1.00 0.00 H new ATOM 0 HE1 MET A 16 3.090 -0.542 14.679 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.701 0.409 14.101 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.770 -1.343 13.793 1.00 0.00 H new ATOM 243 N LEU A 17 1.440 -0.275 7.556 1.00 0.00 N ATOM 244 CA LEU A 17 0.823 -1.293 6.715 1.00 0.00 C ATOM 245 C LEU A 17 1.717 -1.626 5.525 1.00 0.00 C ATOM 246 O LEU A 17 1.634 -2.717 4.961 1.00 0.00 O ATOM 247 CB LEU A 17 -0.548 -0.817 6.229 1.00 0.00 C ATOM 248 CG LEU A 17 -1.379 -1.859 5.475 1.00 0.00 C ATOM 249 CD1 LEU A 17 -0.859 -2.035 4.056 1.00 0.00 C ATOM 250 CD2 LEU A 17 -1.376 -3.188 6.217 1.00 0.00 C ATOM 0 H LEU A 17 0.945 0.617 7.573 1.00 0.00 H new ATOM 0 HA LEU A 17 0.693 -2.197 7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.121 -0.475 7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.404 0.046 5.580 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.407 -1.501 5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.463 -2.779 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.920 -1.085 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.179 -2.367 4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.972 -3.914 5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.353 -3.552 6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.801 -3.051 7.211 1.00 0.00 H new ATOM 262 N GLU A 18 2.579 -0.682 5.152 1.00 0.00 N ATOM 263 CA GLU A 18 3.497 -0.898 4.023 1.00 0.00 C ATOM 264 C GLU A 18 4.351 -2.136 4.268 1.00 0.00 C ATOM 265 O GLU A 18 4.456 -3.012 3.408 1.00 0.00 O ATOM 266 CB GLU A 18 4.413 0.316 3.763 1.00 0.00 C ATOM 267 CG GLU A 18 5.353 0.112 2.586 1.00 0.00 C ATOM 268 CD GLU A 18 6.770 -0.206 3.019 1.00 0.00 C ATOM 269 OE1 GLU A 18 7.366 0.616 3.747 1.00 0.00 O ATOM 270 OE2 GLU A 18 7.284 -1.277 2.633 1.00 0.00 O ATOM 0 H GLU A 18 2.665 0.228 5.604 1.00 0.00 H new ATOM 0 HA GLU A 18 2.879 -1.039 3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.797 1.196 3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.000 0.519 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.977 -0.699 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.359 1.011 1.970 1.00 0.00 H new ATOM 277 N LYS A 19 4.955 -2.206 5.451 1.00 0.00 N ATOM 278 CA LYS A 19 5.794 -3.342 5.811 1.00 0.00 C ATOM 279 C LYS A 19 4.958 -4.615 5.898 1.00 0.00 C ATOM 280 O LYS A 19 5.336 -5.660 5.366 1.00 0.00 O ATOM 281 CB LYS A 19 6.494 -3.084 7.147 1.00 0.00 C ATOM 282 CG LYS A 19 7.718 -3.958 7.372 1.00 0.00 C ATOM 283 CD LYS A 19 7.453 -5.038 8.409 1.00 0.00 C ATOM 284 CE LYS A 19 7.068 -4.440 9.753 1.00 0.00 C ATOM 285 NZ LYS A 19 7.747 -5.131 10.883 1.00 0.00 N ATOM 0 H LYS A 19 4.879 -1.491 6.174 1.00 0.00 H new ATOM 0 HA LYS A 19 6.550 -3.471 5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.792 -2.037 7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.785 -3.251 7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.013 -4.422 6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.553 -3.338 7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.654 -5.692 8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.343 -5.657 8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.327 -3.381 9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.988 -4.506 9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.458 -4.694 11.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.480 -6.136 10.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.778 -5.047 10.773 1.00 0.00 H new ATOM 299 N ASN A 20 3.810 -4.516 6.565 1.00 0.00 N ATOM 300 CA ASN A 20 2.913 -5.657 6.714 1.00 0.00 C ATOM 301 C ASN A 20 2.557 -6.240 5.350 1.00 0.00 C ATOM 302 O ASN A 20 2.583 -7.455 5.155 1.00 0.00 O ATOM 303 CB ASN A 20 1.635 -5.248 7.453 1.00 0.00 C ATOM 304 CG ASN A 20 1.914 -4.372 8.659 1.00 0.00 C ATOM 305 OD1 ASN A 20 3.066 -4.172 9.043 1.00 0.00 O ATOM 306 ND2 ASN A 20 0.855 -3.843 9.262 1.00 0.00 N ATOM 0 H ASN A 20 3.481 -3.659 7.009 1.00 0.00 H new ATOM 0 HA ASN A 20 3.429 -6.417 7.300 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.977 -4.716 6.766 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.103 -6.143 7.774 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.979 -3.244 10.078 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.082 -4.036 8.909 1.00 0.00 H new ATOM 313 N ALA A 21 2.225 -5.360 4.409 1.00 0.00 N ATOM 314 CA ALA A 21 1.864 -5.777 3.061 1.00 0.00 C ATOM 315 C ALA A 21 2.983 -6.583 2.407 1.00 0.00 C ATOM 316 O ALA A 21 2.727 -7.582 1.739 1.00 0.00 O ATOM 317 CB ALA A 21 1.527 -4.562 2.214 1.00 0.00 C ATOM 0 H ALA A 21 2.199 -4.351 4.558 1.00 0.00 H new ATOM 0 HA ALA A 21 0.988 -6.421 3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.258 -4.883 1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.688 -4.028 2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.393 -3.901 2.165 1.00 0.00 H new ATOM 323 N ARG A 22 4.223 -6.145 2.598 1.00 0.00 N ATOM 324 CA ARG A 22 5.373 -6.832 2.019 1.00 0.00 C ATOM 325 C ARG A 22 5.401 -8.298 2.435 1.00 0.00 C ATOM 326 O ARG A 22 5.691 -9.178 1.624 1.00 0.00 O ATOM 327 CB ARG A 22 6.675 -6.142 2.450 1.00 0.00 C ATOM 328 CG ARG A 22 7.314 -5.306 1.353 1.00 0.00 C ATOM 329 CD ARG A 22 8.802 -5.107 1.599 1.00 0.00 C ATOM 330 NE ARG A 22 9.088 -4.772 2.993 1.00 0.00 N ATOM 331 CZ ARG A 22 10.302 -4.832 3.535 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.344 -5.214 2.807 1.00 0.00 N ATOM 333 NH2 ARG A 22 10.475 -4.509 4.810 1.00 0.00 N ATOM 0 H ARG A 22 4.458 -5.319 3.148 1.00 0.00 H new ATOM 0 HA ARG A 22 5.283 -6.784 0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.470 -5.503 3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.386 -6.900 2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.165 -5.793 0.389 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.820 -4.336 1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.339 -6.016 1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.173 -4.312 0.952 1.00 0.00 H new ATOM 0 HE ARG A 22 8.312 -4.475 3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.217 -5.464 1.826 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.272 -5.258 3.228 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.678 -4.215 5.374 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.405 -4.555 5.226 1.00 0.00 H new ATOM 347 N GLU A 23 5.100 -8.555 3.702 1.00 0.00 N ATOM 348 CA GLU A 23 5.097 -9.919 4.219 1.00 0.00 C ATOM 349 C GLU A 23 3.882 -10.697 3.717 1.00 0.00 C ATOM 350 O GLU A 23 4.016 -11.812 3.218 1.00 0.00 O ATOM 351 CB GLU A 23 5.123 -9.910 5.753 1.00 0.00 C ATOM 352 CG GLU A 23 4.895 -11.277 6.380 1.00 0.00 C ATOM 353 CD GLU A 23 5.528 -11.402 7.751 1.00 0.00 C ATOM 354 OE1 GLU A 23 5.229 -10.559 8.622 1.00 0.00 O ATOM 355 OE2 GLU A 23 6.323 -12.344 7.954 1.00 0.00 O ATOM 0 H GLU A 23 4.856 -7.841 4.388 1.00 0.00 H new ATOM 0 HA GLU A 23 5.994 -10.418 3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.085 -9.523 6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.359 -9.222 6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.824 -11.462 6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.303 -12.046 5.724 1.00 0.00 H new ATOM 362 N ALA A 24 2.699 -10.108 3.856 1.00 0.00 N ATOM 363 CA ALA A 24 1.464 -10.758 3.424 1.00 0.00 C ATOM 364 C ALA A 24 1.454 -11.016 1.923 1.00 0.00 C ATOM 365 O ALA A 24 1.201 -12.136 1.486 1.00 0.00 O ATOM 366 CB ALA A 24 0.259 -9.922 3.827 1.00 0.00 C ATOM 0 H ALA A 24 2.568 -9.182 4.264 1.00 0.00 H new ATOM 0 HA ALA A 24 1.409 -11.726 3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.654 -10.418 3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.241 -9.809 4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.326 -8.939 3.360 1.00 0.00 H new ATOM 372 N VAL A 25 1.724 -9.983 1.133 1.00 0.00 N ATOM 373 CA VAL A 25 1.734 -10.128 -0.319 1.00 0.00 C ATOM 374 C VAL A 25 2.657 -11.278 -0.735 1.00 0.00 C ATOM 375 O VAL A 25 2.235 -12.199 -1.432 1.00 0.00 O ATOM 376 CB VAL A 25 2.140 -8.799 -1.025 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.650 -8.592 -1.035 1.00 0.00 C ATOM 378 CG2 VAL A 25 1.583 -8.763 -2.440 1.00 0.00 C ATOM 0 H VAL A 25 1.937 -9.044 1.469 1.00 0.00 H new ATOM 0 HA VAL A 25 0.720 -10.367 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 25 1.709 -7.978 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.885 -7.654 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.019 -8.558 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.127 -9.417 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.874 -7.830 -2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.980 -9.604 -3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.496 -8.830 -2.405 1.00 0.00 H new ATOM 388 N LYS A 26 3.904 -11.230 -0.280 1.00 0.00 N ATOM 389 CA LYS A 26 4.875 -12.278 -0.581 1.00 0.00 C ATOM 390 C LYS A 26 4.461 -13.604 0.060 1.00 0.00 C ATOM 391 O LYS A 26 4.454 -14.646 -0.595 1.00 0.00 O ATOM 392 CB LYS A 26 6.263 -11.874 -0.072 1.00 0.00 C ATOM 393 CG LYS A 26 7.045 -11.004 -1.044 1.00 0.00 C ATOM 394 CD LYS A 26 8.199 -10.296 -0.353 1.00 0.00 C ATOM 395 CE LYS A 26 9.493 -11.079 -0.488 1.00 0.00 C ATOM 396 NZ LYS A 26 9.324 -12.504 -0.089 1.00 0.00 N ATOM 0 H LYS A 26 4.268 -10.474 0.301 1.00 0.00 H new ATOM 0 HA LYS A 26 4.909 -12.408 -1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.152 -11.339 0.871 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.839 -12.775 0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.429 -11.620 -1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.379 -10.266 -1.490 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.327 -9.302 -0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.964 -10.159 0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.841 -11.030 -1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.263 -10.618 0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.257 -12.957 -0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.842 -12.552 0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.754 -12.999 -0.804 1.00 0.00 H new ATOM 410 N GLU A 27 4.123 -13.555 1.349 1.00 0.00 N ATOM 411 CA GLU A 27 3.718 -14.751 2.089 1.00 0.00 C ATOM 412 C GLU A 27 2.509 -15.425 1.446 1.00 0.00 C ATOM 413 O GLU A 27 2.465 -16.649 1.323 1.00 0.00 O ATOM 414 CB GLU A 27 3.398 -14.399 3.543 1.00 0.00 C ATOM 415 CG GLU A 27 3.051 -15.606 4.399 1.00 0.00 C ATOM 416 CD GLU A 27 1.562 -15.892 4.427 1.00 0.00 C ATOM 417 OE1 GLU A 27 0.798 -15.017 4.886 1.00 0.00 O ATOM 418 OE2 GLU A 27 1.161 -16.991 3.991 1.00 0.00 O ATOM 0 H GLU A 27 4.122 -12.699 1.903 1.00 0.00 H new ATOM 0 HA GLU A 27 4.554 -15.450 2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.255 -13.888 3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.564 -13.698 3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.578 -16.481 4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.404 -15.439 5.416 1.00 0.00 H new ATOM 425 N LEU A 28 1.530 -14.623 1.033 1.00 0.00 N ATOM 426 CA LEU A 28 0.324 -15.153 0.398 1.00 0.00 C ATOM 427 C LEU A 28 0.680 -16.095 -0.749 1.00 0.00 C ATOM 428 O LEU A 28 -0.129 -16.931 -1.155 1.00 0.00 O ATOM 429 CB LEU A 28 -0.555 -14.011 -0.120 1.00 0.00 C ATOM 430 CG LEU A 28 -1.891 -13.842 0.606 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.784 -15.050 0.363 1.00 0.00 C ATOM 432 CD2 LEU A 28 -1.665 -13.634 2.095 1.00 0.00 C ATOM 0 H LEU A 28 1.547 -13.607 1.126 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.230 -15.716 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.004 -13.079 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.753 -14.177 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.392 -12.959 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.730 -14.914 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.972 -15.154 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.290 -15.948 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.626 -13.516 2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.144 -14.498 2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.062 -12.739 2.250 1.00 0.00 H new ATOM 444 N GLY A 29 1.895 -15.953 -1.269 1.00 0.00 N ATOM 445 CA GLY A 29 2.337 -16.796 -2.365 1.00 0.00 C ATOM 446 C GLY A 29 2.550 -16.011 -3.641 1.00 0.00 C ATOM 447 O GLY A 29 2.310 -16.514 -4.739 1.00 0.00 O ATOM 0 H GLY A 29 2.582 -15.269 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.266 -17.293 -2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.598 -17.578 -2.541 1.00 0.00 H new ATOM 451 N ILE A 30 3.006 -14.773 -3.494 1.00 0.00 N ATOM 452 CA ILE A 30 3.257 -13.906 -4.639 1.00 0.00 C ATOM 453 C ILE A 30 4.013 -12.653 -4.216 1.00 0.00 C ATOM 454 O ILE A 30 3.487 -11.815 -3.485 1.00 0.00 O ATOM 455 CB ILE A 30 1.947 -13.491 -5.350 1.00 0.00 C ATOM 456 CG1 ILE A 30 0.753 -13.589 -4.395 1.00 0.00 C ATOM 457 CG2 ILE A 30 1.718 -14.353 -6.583 1.00 0.00 C ATOM 458 CD1 ILE A 30 -0.495 -12.909 -4.916 1.00 0.00 C ATOM 0 H ILE A 30 3.210 -14.346 -2.591 1.00 0.00 H new ATOM 0 HA ILE A 30 3.863 -14.481 -5.339 1.00 0.00 H new ATOM 0 HB ILE A 30 2.043 -12.452 -5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.533 -14.640 -4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.026 -13.145 -3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.793 -14.049 -7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.552 -14.229 -7.274 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.645 -15.399 -6.287 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.299 -13.018 -4.189 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.292 -11.850 -5.077 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.793 -13.368 -5.858 1.00 0.00 H new ATOM 470 N ASP A 31 5.247 -12.526 -4.688 1.00 0.00 N ATOM 471 CA ASP A 31 6.074 -11.377 -4.368 1.00 0.00 C ATOM 472 C ASP A 31 5.418 -10.102 -4.870 1.00 0.00 C ATOM 473 O ASP A 31 4.499 -10.149 -5.683 1.00 0.00 O ATOM 474 CB ASP A 31 7.465 -11.530 -4.986 1.00 0.00 C ATOM 475 CG ASP A 31 8.560 -10.978 -4.093 1.00 0.00 C ATOM 476 OD1 ASP A 31 8.360 -9.891 -3.511 1.00 0.00 O ATOM 477 OD2 ASP A 31 9.618 -11.632 -3.977 1.00 0.00 O ATOM 0 H ASP A 31 5.696 -13.210 -5.297 1.00 0.00 H new ATOM 0 HA ASP A 31 6.179 -11.318 -3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.658 -12.585 -5.183 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.491 -11.017 -5.947 1.00 0.00 H new ATOM 482 N ALA A 32 5.884 -8.967 -4.374 1.00 0.00 N ATOM 483 CA ALA A 32 5.347 -7.690 -4.768 1.00 0.00 C ATOM 484 C ALA A 32 6.424 -6.636 -4.662 1.00 0.00 C ATOM 485 O ALA A 32 7.480 -6.874 -4.077 1.00 0.00 O ATOM 486 CB ALA A 32 4.150 -7.332 -3.905 1.00 0.00 C ATOM 0 H ALA A 32 6.640 -8.913 -3.692 1.00 0.00 H new ATOM 0 HA ALA A 32 5.009 -7.743 -5.803 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.755 -6.364 -4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.378 -8.093 -4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.457 -7.281 -2.860 1.00 0.00 H new ATOM 492 N GLU A 33 6.164 -5.474 -5.224 1.00 0.00 N ATOM 493 CA GLU A 33 7.132 -4.402 -5.175 1.00 0.00 C ATOM 494 C GLU A 33 6.499 -3.148 -4.599 1.00 0.00 C ATOM 495 O GLU A 33 5.580 -2.577 -5.186 1.00 0.00 O ATOM 496 CB GLU A 33 7.694 -4.118 -6.569 1.00 0.00 C ATOM 497 CG GLU A 33 6.630 -4.064 -7.652 1.00 0.00 C ATOM 498 CD GLU A 33 7.221 -4.089 -9.049 1.00 0.00 C ATOM 499 OE1 GLU A 33 8.097 -3.249 -9.339 1.00 0.00 O ATOM 500 OE2 GLU A 33 6.805 -4.950 -9.853 1.00 0.00 O ATOM 0 H GLU A 33 5.299 -5.250 -5.715 1.00 0.00 H new ATOM 0 HA GLU A 33 7.954 -4.710 -4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.230 -3.169 -6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.421 -4.889 -6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.952 -4.909 -7.533 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.036 -3.158 -7.528 1.00 0.00 H new ATOM 507 N PHE A 34 6.984 -2.728 -3.441 1.00 0.00 N ATOM 508 CA PHE A 34 6.448 -1.549 -2.785 1.00 0.00 C ATOM 509 C PHE A 34 7.334 -0.339 -3.026 1.00 0.00 C ATOM 510 O PHE A 34 8.437 -0.237 -2.491 1.00 0.00 O ATOM 511 CB PHE A 34 6.285 -1.818 -1.291 1.00 0.00 C ATOM 512 CG PHE A 34 5.458 -3.040 -1.014 1.00 0.00 C ATOM 513 CD1 PHE A 34 5.958 -4.307 -1.272 1.00 0.00 C ATOM 514 CD2 PHE A 34 4.172 -2.923 -0.514 1.00 0.00 C ATOM 515 CE1 PHE A 34 5.190 -5.431 -1.039 1.00 0.00 C ATOM 516 CE2 PHE A 34 3.402 -4.043 -0.278 1.00 0.00 C ATOM 517 CZ PHE A 34 3.909 -5.298 -0.541 1.00 0.00 C ATOM 0 H PHE A 34 7.745 -3.185 -2.939 1.00 0.00 H new ATOM 0 HA PHE A 34 5.469 -1.327 -3.211 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.269 -1.938 -0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.820 -0.953 -0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.960 -4.416 -1.660 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.767 -1.944 -0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.591 -6.412 -1.246 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.401 -3.937 0.113 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.306 -6.175 -0.358 1.00 0.00 H new ATOM 527 N GLU A 35 6.829 0.576 -3.840 1.00 0.00 N ATOM 528 CA GLU A 35 7.553 1.793 -4.171 1.00 0.00 C ATOM 529 C GLU A 35 6.881 3.006 -3.544 1.00 0.00 C ATOM 530 O GLU A 35 5.772 3.384 -3.927 1.00 0.00 O ATOM 531 CB GLU A 35 7.636 1.968 -5.689 1.00 0.00 C ATOM 532 CG GLU A 35 8.158 0.739 -6.416 1.00 0.00 C ATOM 533 CD GLU A 35 9.474 0.994 -7.125 1.00 0.00 C ATOM 534 OE1 GLU A 35 9.586 2.028 -7.817 1.00 0.00 O ATOM 535 OE2 GLU A 35 10.394 0.160 -6.988 1.00 0.00 O ATOM 0 H GLU A 35 5.915 0.497 -4.286 1.00 0.00 H new ATOM 0 HA GLU A 35 8.563 1.708 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.646 2.213 -6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.284 2.815 -5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.287 -0.074 -5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.416 0.409 -7.143 1.00 0.00 H new ATOM 542 N LYS A 36 7.557 3.617 -2.580 1.00 0.00 N ATOM 543 CA LYS A 36 7.024 4.791 -1.909 1.00 0.00 C ATOM 544 C LYS A 36 7.293 6.039 -2.738 1.00 0.00 C ATOM 545 O LYS A 36 8.356 6.173 -3.345 1.00 0.00 O ATOM 546 CB LYS A 36 7.639 4.942 -0.516 1.00 0.00 C ATOM 547 CG LYS A 36 7.733 3.636 0.256 1.00 0.00 C ATOM 548 CD LYS A 36 8.781 3.711 1.355 1.00 0.00 C ATOM 549 CE LYS A 36 10.190 3.653 0.785 1.00 0.00 C ATOM 550 NZ LYS A 36 11.202 4.158 1.754 1.00 0.00 N ATOM 0 H LYS A 36 8.474 3.318 -2.247 1.00 0.00 H new ATOM 0 HA LYS A 36 5.947 4.665 -1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.637 5.369 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.044 5.652 0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.763 3.400 0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.980 2.825 -0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.653 4.635 1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.636 2.888 2.055 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.429 2.625 0.513 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.236 4.244 -0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.149 4.102 1.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.989 5.147 1.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.176 3.578 2.617 1.00 0.00 H new ATOM 564 N ILE A 37 6.328 6.947 -2.767 1.00 0.00 N ATOM 565 CA ILE A 37 6.469 8.181 -3.531 1.00 0.00 C ATOM 566 C ILE A 37 6.553 9.378 -2.591 1.00 0.00 C ATOM 567 O ILE A 37 6.130 9.302 -1.437 1.00 0.00 O ATOM 568 CB ILE A 37 5.295 8.366 -4.544 1.00 0.00 C ATOM 569 CG1 ILE A 37 4.261 9.372 -4.033 1.00 0.00 C ATOM 570 CG2 ILE A 37 4.623 7.033 -4.840 1.00 0.00 C ATOM 571 CD1 ILE A 37 3.704 9.013 -2.683 1.00 0.00 C ATOM 0 H ILE A 37 5.441 6.854 -2.272 1.00 0.00 H new ATOM 0 HA ILE A 37 7.394 8.114 -4.104 1.00 0.00 H new ATOM 0 HB ILE A 37 5.722 8.760 -5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.720 10.359 -3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.443 9.439 -4.750 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.808 7.186 -5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.352 6.345 -5.269 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.227 6.612 -3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.977 9.765 -2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.217 8.039 -2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.514 8.974 -1.954 1.00 0.00 H new ATOM 583 N LYS A 38 7.086 10.486 -3.087 1.00 0.00 N ATOM 584 CA LYS A 38 7.198 11.692 -2.280 1.00 0.00 C ATOM 585 C LYS A 38 6.870 12.917 -3.121 1.00 0.00 C ATOM 586 O LYS A 38 7.755 13.671 -3.526 1.00 0.00 O ATOM 587 CB LYS A 38 8.598 11.808 -1.678 1.00 0.00 C ATOM 588 CG LYS A 38 9.703 11.951 -2.714 1.00 0.00 C ATOM 589 CD LYS A 38 11.008 11.340 -2.227 1.00 0.00 C ATOM 590 CE LYS A 38 11.484 10.227 -3.147 1.00 0.00 C ATOM 591 NZ LYS A 38 11.790 10.731 -4.515 1.00 0.00 N ATOM 0 H LYS A 38 7.445 10.575 -4.038 1.00 0.00 H new ATOM 0 HA LYS A 38 6.482 11.632 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.626 12.669 -1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.796 10.926 -1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.398 11.467 -3.642 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.856 13.006 -2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.773 12.115 -2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.872 10.947 -1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.374 9.762 -2.724 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.718 9.454 -3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.413 10.056 -5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.906 10.836 -5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.265 11.653 -4.447 1.00 0.00 H new ATOM 605 N GLU A 39 5.576 13.095 -3.375 1.00 0.00 N ATOM 606 CA GLU A 39 5.062 14.211 -4.171 1.00 0.00 C ATOM 607 C GLU A 39 3.694 13.849 -4.733 1.00 0.00 C ATOM 608 O GLU A 39 3.501 12.746 -5.244 1.00 0.00 O ATOM 609 CB GLU A 39 6.017 14.560 -5.319 1.00 0.00 C ATOM 610 CG GLU A 39 6.885 15.776 -5.041 1.00 0.00 C ATOM 611 CD GLU A 39 6.889 16.767 -6.189 1.00 0.00 C ATOM 612 OE1 GLU A 39 6.713 16.333 -7.347 1.00 0.00 O ATOM 613 OE2 GLU A 39 7.068 17.976 -5.930 1.00 0.00 O ATOM 0 H GLU A 39 4.849 12.467 -3.033 1.00 0.00 H new ATOM 0 HA GLU A 39 4.977 15.083 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.660 13.703 -5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.435 14.739 -6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.529 16.273 -4.139 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.906 15.451 -4.844 1.00 0.00 H new ATOM 620 N MET A 40 2.741 14.772 -4.639 1.00 0.00 N ATOM 621 CA MET A 40 1.393 14.522 -5.138 1.00 0.00 C ATOM 622 C MET A 40 1.403 14.136 -6.612 1.00 0.00 C ATOM 623 O MET A 40 0.427 13.583 -7.114 1.00 0.00 O ATOM 624 CB MET A 40 0.505 15.750 -4.923 1.00 0.00 C ATOM 625 CG MET A 40 -0.944 15.406 -4.621 1.00 0.00 C ATOM 626 SD MET A 40 -2.106 16.550 -5.391 1.00 0.00 S ATOM 627 CE MET A 40 -1.492 18.118 -4.782 1.00 0.00 C ATOM 0 H MET A 40 2.876 15.694 -4.225 1.00 0.00 H new ATOM 0 HA MET A 40 0.985 13.683 -4.574 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.909 16.341 -4.101 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.543 16.376 -5.814 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.153 14.394 -4.968 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.097 15.411 -3.542 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.237 18.894 -4.959 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.295 18.041 -3.713 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.570 18.375 -5.303 1.00 0.00 H new ATOM 637 N ASP A 41 2.506 14.408 -7.308 1.00 0.00 N ATOM 638 CA ASP A 41 2.606 14.054 -8.717 1.00 0.00 C ATOM 639 C ASP A 41 2.232 12.587 -8.900 1.00 0.00 C ATOM 640 O ASP A 41 1.450 12.236 -9.781 1.00 0.00 O ATOM 641 CB ASP A 41 4.022 14.312 -9.238 1.00 0.00 C ATOM 642 CG ASP A 41 4.066 15.418 -10.272 1.00 0.00 C ATOM 643 OD1 ASP A 41 3.437 15.258 -11.340 1.00 0.00 O ATOM 644 OD2 ASP A 41 4.729 16.445 -10.016 1.00 0.00 O ATOM 0 H ASP A 41 3.332 14.867 -6.923 1.00 0.00 H new ATOM 0 HA ASP A 41 1.917 14.675 -9.289 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.671 14.574 -8.402 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.418 13.395 -9.674 1.00 0.00 H new ATOM 649 N GLN A 42 2.782 11.742 -8.034 1.00 0.00 N ATOM 650 CA GLN A 42 2.499 10.315 -8.063 1.00 0.00 C ATOM 651 C GLN A 42 1.243 10.007 -7.249 1.00 0.00 C ATOM 652 O GLN A 42 0.501 9.073 -7.556 1.00 0.00 O ATOM 653 CB GLN A 42 3.686 9.523 -7.509 1.00 0.00 C ATOM 654 CG GLN A 42 4.807 9.323 -8.517 1.00 0.00 C ATOM 655 CD GLN A 42 6.083 10.040 -8.119 1.00 0.00 C ATOM 656 OE1 GLN A 42 7.108 9.409 -7.861 1.00 0.00 O ATOM 657 NE2 GLN A 42 6.024 11.365 -8.068 1.00 0.00 N ATOM 0 H GLN A 42 3.430 12.025 -7.299 1.00 0.00 H new ATOM 0 HA GLN A 42 2.331 10.019 -9.098 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.082 10.041 -6.636 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.335 8.548 -7.170 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.011 8.257 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.482 9.683 -9.493 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.152 11.846 -8.290 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.850 11.903 -7.807 1.00 0.00 H new ATOM 666 N ILE A 43 1.018 10.801 -6.201 1.00 0.00 N ATOM 667 CA ILE A 43 -0.140 10.620 -5.330 1.00 0.00 C ATOM 668 C ILE A 43 -1.441 10.865 -6.079 1.00 0.00 C ATOM 669 O ILE A 43 -2.334 10.024 -6.105 1.00 0.00 O ATOM 670 CB ILE A 43 -0.081 11.563 -4.108 1.00 0.00 C ATOM 671 CG1 ILE A 43 1.291 11.492 -3.436 1.00 0.00 C ATOM 672 CG2 ILE A 43 -1.172 11.219 -3.109 1.00 0.00 C ATOM 673 CD1 ILE A 43 1.526 12.587 -2.418 1.00 0.00 C ATOM 0 H ILE A 43 1.625 11.577 -5.936 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.112 9.586 -4.986 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.243 12.581 -4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.396 10.524 -2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.064 11.548 -4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.111 11.896 -2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.147 11.322 -3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.042 10.192 -2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.519 12.472 -1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.453 13.559 -2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.775 12.519 -1.631 1.00 0.00 H new ATOM 685 N LEU A 44 -1.530 12.029 -6.684 1.00 0.00 N ATOM 686 CA LEU A 44 -2.713 12.419 -7.443 1.00 0.00 C ATOM 687 C LEU A 44 -2.893 11.530 -8.671 1.00 0.00 C ATOM 688 O LEU A 44 -4.017 11.194 -9.043 1.00 0.00 O ATOM 689 CB LEU A 44 -2.634 13.907 -7.833 1.00 0.00 C ATOM 690 CG LEU A 44 -2.327 14.219 -9.304 1.00 0.00 C ATOM 691 CD1 LEU A 44 -2.857 15.595 -9.675 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.830 14.140 -9.569 1.00 0.00 C ATOM 0 H LEU A 44 -0.792 12.733 -6.668 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.590 12.282 -6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.584 14.377 -7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.868 14.380 -7.218 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.826 13.474 -9.924 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.632 15.802 -10.721 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.936 15.622 -9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.384 16.349 -9.046 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.634 14.364 -10.617 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.310 14.863 -8.940 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.472 13.136 -9.340 1.00 0.00 H new ATOM 704 N GLU A 45 -1.782 11.139 -9.292 1.00 0.00 N ATOM 705 CA GLU A 45 -1.835 10.276 -10.468 1.00 0.00 C ATOM 706 C GLU A 45 -2.622 9.011 -10.152 1.00 0.00 C ATOM 707 O GLU A 45 -3.214 8.391 -11.035 1.00 0.00 O ATOM 708 CB GLU A 45 -0.425 9.912 -10.932 1.00 0.00 C ATOM 709 CG GLU A 45 -0.347 9.527 -12.401 1.00 0.00 C ATOM 710 CD GLU A 45 1.048 9.109 -12.821 1.00 0.00 C ATOM 711 OE1 GLU A 45 2.024 9.657 -12.266 1.00 0.00 O ATOM 712 OE2 GLU A 45 1.165 8.234 -13.703 1.00 0.00 O ATOM 0 H GLU A 45 -0.841 11.404 -9.002 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.336 10.817 -11.271 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.238 10.758 -10.751 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.055 9.083 -10.328 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.041 8.710 -12.596 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.669 10.371 -13.011 1.00 0.00 H new ATOM 719 N ALA A 46 -2.633 8.648 -8.874 1.00 0.00 N ATOM 720 CA ALA A 46 -3.353 7.478 -8.412 1.00 0.00 C ATOM 721 C ALA A 46 -4.842 7.758 -8.391 1.00 0.00 C ATOM 722 O ALA A 46 -5.648 6.958 -8.865 1.00 0.00 O ATOM 723 CB ALA A 46 -2.879 7.101 -7.021 1.00 0.00 C ATOM 0 H ALA A 46 -2.145 9.156 -8.137 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.160 6.650 -9.094 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.423 6.221 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.812 6.881 -7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.061 7.930 -6.337 1.00 0.00 H new ATOM 729 N GLY A 47 -5.196 8.910 -7.835 1.00 0.00 N ATOM 730 CA GLY A 47 -6.586 9.291 -7.752 1.00 0.00 C ATOM 731 C GLY A 47 -7.057 9.462 -6.321 1.00 0.00 C ATOM 732 O GLY A 47 -8.173 9.926 -6.086 1.00 0.00 O ATOM 0 H GLY A 47 -4.542 9.586 -7.441 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.737 10.224 -8.295 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.197 8.534 -8.244 1.00 0.00 H new ATOM 736 N LEU A 48 -6.211 9.094 -5.356 1.00 0.00 N ATOM 737 CA LEU A 48 -6.580 9.229 -3.952 1.00 0.00 C ATOM 738 C LEU A 48 -6.482 10.685 -3.504 1.00 0.00 C ATOM 739 O LEU A 48 -5.754 11.480 -4.098 1.00 0.00 O ATOM 740 CB LEU A 48 -5.737 8.303 -3.048 1.00 0.00 C ATOM 741 CG LEU A 48 -4.205 8.509 -3.009 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.479 7.271 -3.517 1.00 0.00 C ATOM 743 CD2 LEU A 48 -3.751 9.739 -3.782 1.00 0.00 C ATOM 0 H LEU A 48 -5.282 8.707 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.619 8.914 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.111 8.403 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.926 7.275 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.945 8.676 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.403 7.440 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.734 6.417 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.780 7.069 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.667 9.830 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.045 9.641 -4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.215 10.628 -3.356 1.00 0.00 H new ATOM 755 N THR A 49 -7.239 11.035 -2.470 1.00 0.00 N ATOM 756 CA THR A 49 -7.251 12.402 -1.964 1.00 0.00 C ATOM 757 C THR A 49 -6.623 12.498 -0.584 1.00 0.00 C ATOM 758 O THR A 49 -6.109 13.548 -0.197 1.00 0.00 O ATOM 759 CB THR A 49 -8.682 12.966 -1.904 1.00 0.00 C ATOM 760 OG1 THR A 49 -9.475 12.406 -2.957 1.00 0.00 O ATOM 761 CG2 THR A 49 -8.672 14.483 -2.022 1.00 0.00 C ATOM 0 H THR A 49 -7.851 10.392 -1.967 1.00 0.00 H new ATOM 0 HA THR A 49 -6.660 12.994 -2.663 1.00 0.00 H new ATOM 0 HB THR A 49 -9.115 12.695 -0.941 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.384 12.769 -2.910 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.694 14.858 -1.977 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.093 14.908 -1.202 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.221 14.771 -2.972 1.00 0.00 H new ATOM 769 N ALA A 50 -6.662 11.401 0.153 1.00 0.00 N ATOM 770 CA ALA A 50 -6.089 11.373 1.490 1.00 0.00 C ATOM 771 C ALA A 50 -4.569 11.301 1.420 1.00 0.00 C ATOM 772 O ALA A 50 -3.988 11.283 0.335 1.00 0.00 O ATOM 773 CB ALA A 50 -6.646 10.208 2.288 1.00 0.00 C ATOM 0 H ALA A 50 -7.082 10.522 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.364 12.296 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.205 10.205 3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.728 10.308 2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.406 9.273 1.782 1.00 0.00 H new ATOM 779 N LEU A 51 -3.927 11.277 2.580 1.00 0.00 N ATOM 780 CA LEU A 51 -2.473 11.228 2.641 1.00 0.00 C ATOM 781 C LEU A 51 -1.932 9.808 2.458 1.00 0.00 C ATOM 782 O LEU A 51 -1.284 9.519 1.453 1.00 0.00 O ATOM 783 CB LEU A 51 -1.972 11.825 3.959 1.00 0.00 C ATOM 784 CG LEU A 51 -1.356 13.222 3.846 1.00 0.00 C ATOM 785 CD1 LEU A 51 -1.851 14.120 4.969 1.00 0.00 C ATOM 786 CD2 LEU A 51 0.164 13.137 3.860 1.00 0.00 C ATOM 0 H LEU A 51 -4.389 11.291 3.489 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.096 11.826 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.805 11.868 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.230 11.151 4.386 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.668 13.658 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.401 15.108 4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.936 14.208 4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.571 13.689 5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.585 14.139 3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.494 12.679 4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.502 12.532 3.019 1.00 0.00 H new ATOM 798 N PRO A 52 -2.161 8.907 3.430 1.00 0.00 N ATOM 799 CA PRO A 52 -1.657 7.530 3.355 1.00 0.00 C ATOM 800 C PRO A 52 -2.352 6.675 2.294 1.00 0.00 C ATOM 801 O PRO A 52 -2.893 5.613 2.599 1.00 0.00 O ATOM 802 CB PRO A 52 -1.920 6.976 4.757 1.00 0.00 C ATOM 803 CG PRO A 52 -3.041 7.793 5.296 1.00 0.00 C ATOM 804 CD PRO A 52 -2.903 9.160 4.681 1.00 0.00 C ATOM 0 HA PRO A 52 -0.608 7.512 3.059 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.185 5.919 4.719 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.034 7.060 5.386 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.003 7.348 5.042 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.993 7.849 6.383 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.876 9.611 4.485 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.362 9.842 5.337 1.00 0.00 H new ATOM 812 N GLY A 53 -2.311 7.129 1.043 1.00 0.00 N ATOM 813 CA GLY A 53 -2.917 6.378 -0.041 1.00 0.00 C ATOM 814 C GLY A 53 -2.123 5.134 -0.384 1.00 0.00 C ATOM 815 O GLY A 53 -0.892 5.148 -0.364 1.00 0.00 O ATOM 0 H GLY A 53 -1.868 8.004 0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.932 6.095 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.994 7.013 -0.923 1.00 0.00 H new ATOM 819 N LEU A 54 -2.828 4.052 -0.692 1.00 0.00 N ATOM 820 CA LEU A 54 -2.186 2.791 -1.033 1.00 0.00 C ATOM 821 C LEU A 54 -2.778 2.232 -2.316 1.00 0.00 C ATOM 822 O LEU A 54 -3.887 1.700 -2.316 1.00 0.00 O ATOM 823 CB LEU A 54 -2.364 1.785 0.107 1.00 0.00 C ATOM 824 CG LEU A 54 -1.101 1.018 0.504 1.00 0.00 C ATOM 825 CD1 LEU A 54 -0.517 0.291 -0.695 1.00 0.00 C ATOM 826 CD2 LEU A 54 -0.074 1.963 1.108 1.00 0.00 C ATOM 0 H LEU A 54 -3.847 4.024 -0.712 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.121 2.969 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.738 2.315 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.131 1.066 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.371 0.276 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.380 -0.248 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.250 -0.415 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.262 1.014 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.818 1.402 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.191 2.728 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.494 2.438 1.995 1.00 0.00 H new ATOM 838 N ALA A 55 -2.041 2.355 -3.413 1.00 0.00 N ATOM 839 CA ALA A 55 -2.525 1.857 -4.691 1.00 0.00 C ATOM 840 C ALA A 55 -1.937 0.486 -5.004 1.00 0.00 C ATOM 841 O ALA A 55 -0.720 0.311 -5.029 1.00 0.00 O ATOM 842 CB ALA A 55 -2.209 2.844 -5.803 1.00 0.00 C ATOM 0 H ALA A 55 -1.119 2.789 -3.443 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.608 1.749 -4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.579 2.454 -6.751 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.691 3.798 -5.590 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.130 2.988 -5.866 1.00 0.00 H new ATOM 848 N VAL A 56 -2.816 -0.485 -5.231 1.00 0.00 N ATOM 849 CA VAL A 56 -2.396 -1.846 -5.531 1.00 0.00 C ATOM 850 C VAL A 56 -2.913 -2.307 -6.882 1.00 0.00 C ATOM 851 O VAL A 56 -4.043 -2.010 -7.264 1.00 0.00 O ATOM 852 CB VAL A 56 -2.875 -2.838 -4.458 1.00 0.00 C ATOM 853 CG1 VAL A 56 -1.817 -2.984 -3.386 1.00 0.00 C ATOM 854 CG2 VAL A 56 -4.204 -2.397 -3.859 1.00 0.00 C ATOM 0 H VAL A 56 -3.827 -0.352 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.306 -1.830 -5.547 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.035 -3.809 -4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.161 -3.688 -2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.895 -3.355 -3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.632 -2.015 -2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.519 -3.117 -3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.088 -1.415 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.957 -2.343 -4.645 1.00 0.00 H new ATOM 864 N ASP A 57 -2.072 -3.040 -7.599 1.00 0.00 N ATOM 865 CA ASP A 57 -2.432 -3.552 -8.919 1.00 0.00 C ATOM 866 C ASP A 57 -3.056 -2.454 -9.779 1.00 0.00 C ATOM 867 O ASP A 57 -3.852 -2.732 -10.677 1.00 0.00 O ATOM 868 CB ASP A 57 -3.405 -4.725 -8.784 1.00 0.00 C ATOM 869 CG ASP A 57 -2.696 -6.066 -8.753 1.00 0.00 C ATOM 870 OD1 ASP A 57 -1.517 -6.104 -8.345 1.00 0.00 O ATOM 871 OD2 ASP A 57 -3.322 -7.077 -9.137 1.00 0.00 O ATOM 0 H ASP A 57 -1.134 -3.295 -7.290 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.521 -3.897 -9.409 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.989 -4.605 -7.872 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.108 -4.708 -9.617 1.00 0.00 H new ATOM 876 N GLY A 58 -2.692 -1.206 -9.495 1.00 0.00 N ATOM 877 CA GLY A 58 -3.229 -0.085 -10.246 1.00 0.00 C ATOM 878 C GLY A 58 -4.642 0.267 -9.827 1.00 0.00 C ATOM 879 O GLY A 58 -5.433 0.761 -10.631 1.00 0.00 O ATOM 0 H GLY A 58 -2.035 -0.952 -8.758 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.585 0.783 -10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.217 -0.324 -11.309 1.00 0.00 H new ATOM 883 N GLU A 59 -4.961 0.008 -8.564 1.00 0.00 N ATOM 884 CA GLU A 59 -6.287 0.296 -8.032 1.00 0.00 C ATOM 885 C GLU A 59 -6.195 0.836 -6.608 1.00 0.00 C ATOM 886 O GLU A 59 -5.972 0.084 -5.660 1.00 0.00 O ATOM 887 CB GLU A 59 -7.153 -0.966 -8.057 1.00 0.00 C ATOM 888 CG GLU A 59 -8.006 -1.095 -9.309 1.00 0.00 C ATOM 889 CD GLU A 59 -8.681 -2.448 -9.417 1.00 0.00 C ATOM 890 OE1 GLU A 59 -9.340 -2.864 -8.440 1.00 0.00 O ATOM 891 OE2 GLU A 59 -8.551 -3.093 -10.479 1.00 0.00 O ATOM 0 H GLU A 59 -4.317 -0.402 -7.888 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.748 1.057 -8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.508 -1.841 -7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.804 -0.967 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.765 -0.313 -9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.382 -0.933 -10.188 1.00 0.00 H new ATOM 898 N LEU A 60 -6.373 2.145 -6.469 1.00 0.00 N ATOM 899 CA LEU A 60 -6.313 2.790 -5.157 1.00 0.00 C ATOM 900 C LEU A 60 -7.557 2.449 -4.347 1.00 0.00 C ATOM 901 O LEU A 60 -8.679 2.637 -4.816 1.00 0.00 O ATOM 902 CB LEU A 60 -6.174 4.319 -5.271 1.00 0.00 C ATOM 903 CG LEU A 60 -5.720 4.876 -6.630 1.00 0.00 C ATOM 904 CD1 LEU A 60 -4.539 4.089 -7.187 1.00 0.00 C ATOM 905 CD2 LEU A 60 -6.881 4.889 -7.615 1.00 0.00 C ATOM 0 H LEU A 60 -6.560 2.781 -7.244 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.426 2.410 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.137 4.767 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.465 4.653 -4.513 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.386 5.902 -6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.243 4.509 -8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.702 4.149 -6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.827 3.046 -7.320 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.542 5.286 -8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.251 3.873 -7.754 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.682 5.517 -7.225 1.00 0.00 H new ATOM 917 N LYS A 61 -7.358 1.939 -3.136 1.00 0.00 N ATOM 918 CA LYS A 61 -8.485 1.571 -2.287 1.00 0.00 C ATOM 919 C LYS A 61 -8.185 1.779 -0.803 1.00 0.00 C ATOM 920 O LYS A 61 -8.954 1.338 0.051 1.00 0.00 O ATOM 921 CB LYS A 61 -8.871 0.112 -2.534 1.00 0.00 C ATOM 922 CG LYS A 61 -9.679 -0.096 -3.805 1.00 0.00 C ATOM 923 CD LYS A 61 -10.765 -1.141 -3.609 1.00 0.00 C ATOM 924 CE LYS A 61 -10.172 -2.517 -3.351 1.00 0.00 C ATOM 925 NZ LYS A 61 -11.163 -3.441 -2.733 1.00 0.00 N ATOM 0 H LYS A 61 -6.440 1.773 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.315 2.226 -2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.965 -0.491 -2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.447 -0.252 -1.683 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.131 0.848 -4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.016 -0.406 -4.613 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.401 -0.854 -2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.401 -1.177 -4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.816 -2.941 -4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.306 -2.422 -2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.720 -4.368 -2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.484 -3.049 -1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.978 -3.552 -3.369 1.00 0.00 H new ATOM 939 N ILE A 62 -7.074 2.439 -0.488 1.00 0.00 N ATOM 940 CA ILE A 62 -6.722 2.669 0.912 1.00 0.00 C ATOM 941 C ILE A 62 -5.993 3.993 1.107 1.00 0.00 C ATOM 942 O ILE A 62 -4.808 4.111 0.804 1.00 0.00 O ATOM 943 CB ILE A 62 -5.841 1.531 1.466 1.00 0.00 C ATOM 944 CG1 ILE A 62 -6.291 0.179 0.907 1.00 0.00 C ATOM 945 CG2 ILE A 62 -5.889 1.522 2.986 1.00 0.00 C ATOM 946 CD1 ILE A 62 -5.372 -0.965 1.281 1.00 0.00 C ATOM 0 H ILE A 62 -6.413 2.818 -1.167 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.664 2.700 1.460 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.812 1.705 1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -7.296 -0.039 1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.352 0.246 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.263 0.714 3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.522 2.475 3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.917 1.371 3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.752 -1.892 0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.372 -0.769 0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -5.330 -1.058 2.366 1.00 0.00 H new ATOM 958 N MET A 63 -6.706 4.987 1.631 1.00 0.00 N ATOM 959 CA MET A 63 -6.117 6.299 1.881 1.00 0.00 C ATOM 960 C MET A 63 -6.704 6.934 3.131 1.00 0.00 C ATOM 961 O MET A 63 -7.853 6.681 3.493 1.00 0.00 O ATOM 962 CB MET A 63 -6.301 7.230 0.675 1.00 0.00 C ATOM 963 CG MET A 63 -7.517 6.911 -0.176 1.00 0.00 C ATOM 964 SD MET A 63 -8.524 8.363 -0.533 1.00 0.00 S ATOM 965 CE MET A 63 -9.968 7.597 -1.267 1.00 0.00 C ATOM 0 H MET A 63 -7.690 4.909 1.890 1.00 0.00 H new ATOM 0 HA MET A 63 -5.049 6.151 2.039 1.00 0.00 H new ATOM 0 HB2 MET A 63 -6.380 8.257 1.031 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.410 7.177 0.050 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.190 6.462 -1.114 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.128 6.168 0.337 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.688 8.367 -1.543 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.672 7.041 -2.157 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.423 6.916 -0.548 1.00 0.00 H new ATOM 975 N GLY A 64 -5.894 7.750 3.798 1.00 0.00 N ATOM 976 CA GLY A 64 -6.336 8.399 5.018 1.00 0.00 C ATOM 977 C GLY A 64 -6.153 7.509 6.233 1.00 0.00 C ATOM 978 O GLY A 64 -6.372 7.939 7.366 1.00 0.00 O ATOM 0 H GLY A 64 -4.940 7.973 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.778 9.325 5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.387 8.672 4.923 1.00 0.00 H new ATOM 982 N ARG A 65 -5.747 6.264 5.988 1.00 0.00 N ATOM 983 CA ARG A 65 -5.525 5.289 7.053 1.00 0.00 C ATOM 984 C ARG A 65 -5.423 3.888 6.465 1.00 0.00 C ATOM 985 O ARG A 65 -6.428 3.304 6.057 1.00 0.00 O ATOM 986 CB ARG A 65 -6.656 5.335 8.086 1.00 0.00 C ATOM 987 CG ARG A 65 -8.040 5.463 7.468 1.00 0.00 C ATOM 988 CD ARG A 65 -8.758 6.720 7.940 1.00 0.00 C ATOM 989 NE ARG A 65 -10.045 6.415 8.561 1.00 0.00 N ATOM 990 CZ ARG A 65 -10.788 7.312 9.204 1.00 0.00 C ATOM 991 NH1 ARG A 65 -10.375 8.569 9.315 1.00 0.00 N ATOM 992 NH2 ARG A 65 -11.948 6.953 9.737 1.00 0.00 N ATOM 0 H ARG A 65 -5.564 5.905 5.051 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.590 5.542 7.554 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.620 4.430 8.692 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.488 6.176 8.759 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.952 5.481 6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.635 4.587 7.725 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.128 7.251 8.654 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.913 7.388 7.093 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.394 5.459 8.498 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.484 8.851 8.906 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.949 9.253 9.809 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.271 5.989 9.654 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -12.517 7.641 10.230 1.00 0.00 H new ATOM 1006 N VAL A 66 -4.208 3.353 6.412 1.00 0.00 N ATOM 1007 CA VAL A 66 -3.993 2.025 5.857 1.00 0.00 C ATOM 1008 C VAL A 66 -4.755 0.966 6.649 1.00 0.00 C ATOM 1009 O VAL A 66 -5.195 1.213 7.772 1.00 0.00 O ATOM 1010 CB VAL A 66 -2.500 1.653 5.826 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.776 2.439 4.745 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -1.858 1.887 7.186 1.00 0.00 C ATOM 0 H VAL A 66 -3.363 3.817 6.745 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.369 2.052 4.834 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.416 0.592 5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.722 2.162 4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.217 2.213 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.870 3.506 4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.803 1.618 7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.953 2.938 7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.358 1.273 7.935 1.00 0.00 H new ATOM 1022 N ALA A 67 -4.906 -0.214 6.055 1.00 0.00 N ATOM 1023 CA ALA A 67 -5.616 -1.311 6.702 1.00 0.00 C ATOM 1024 C ALA A 67 -4.705 -2.057 7.673 1.00 0.00 C ATOM 1025 O ALA A 67 -3.493 -1.847 7.690 1.00 0.00 O ATOM 1026 CB ALA A 67 -6.176 -2.264 5.656 1.00 0.00 C ATOM 0 H ALA A 67 -4.546 -0.434 5.126 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.444 -0.892 7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.704 -3.079 6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.867 -1.726 5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.359 -2.671 5.060 1.00 0.00 H new ATOM 1032 N SER A 68 -5.300 -2.930 8.481 1.00 0.00 N ATOM 1033 CA SER A 68 -4.544 -3.709 9.457 1.00 0.00 C ATOM 1034 C SER A 68 -3.924 -4.942 8.807 1.00 0.00 C ATOM 1035 O SER A 68 -4.112 -5.190 7.618 1.00 0.00 O ATOM 1036 CB SER A 68 -5.449 -4.131 10.616 1.00 0.00 C ATOM 1037 OG SER A 68 -6.372 -3.106 10.941 1.00 0.00 O ATOM 0 H SER A 68 -6.303 -3.116 8.479 1.00 0.00 H new ATOM 0 HA SER A 68 -3.741 -3.080 9.842 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.989 -5.039 10.348 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.841 -4.367 11.489 1.00 0.00 H new ATOM 0 HG SER A 68 -6.940 -3.401 11.683 1.00 0.00 H new ATOM 1043 N LYS A 69 -3.179 -5.709 9.597 1.00 0.00 N ATOM 1044 CA LYS A 69 -2.526 -6.916 9.100 1.00 0.00 C ATOM 1045 C LYS A 69 -3.551 -7.969 8.684 1.00 0.00 C ATOM 1046 O LYS A 69 -3.512 -8.477 7.563 1.00 0.00 O ATOM 1047 CB LYS A 69 -1.592 -7.490 10.165 1.00 0.00 C ATOM 1048 CG LYS A 69 -0.566 -8.466 9.611 1.00 0.00 C ATOM 1049 CD LYS A 69 0.512 -8.783 10.636 1.00 0.00 C ATOM 1050 CE LYS A 69 0.907 -10.250 10.591 1.00 0.00 C ATOM 1051 NZ LYS A 69 2.261 -10.479 11.166 1.00 0.00 N ATOM 0 H LYS A 69 -3.012 -5.516 10.585 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.943 -6.642 8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.071 -6.670 10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.188 -7.995 10.925 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.065 -9.387 9.309 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.107 -8.044 8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.388 -8.163 10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.152 -8.532 11.634 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.174 -10.840 11.142 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.887 -10.600 9.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.492 -11.492 11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.964 -9.936 10.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.274 -10.169 12.159 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.465 -8.298 9.591 1.00 0.00 N ATOM 1066 CA GLU A 70 -5.494 -9.295 9.310 1.00 0.00 C ATOM 1067 C GLU A 70 -6.495 -8.771 8.286 1.00 0.00 C ATOM 1068 O GLU A 70 -7.030 -9.533 7.479 1.00 0.00 O ATOM 1069 CB GLU A 70 -6.222 -9.680 10.599 1.00 0.00 C ATOM 1070 CG GLU A 70 -6.984 -10.991 10.498 1.00 0.00 C ATOM 1071 CD GLU A 70 -8.460 -10.787 10.214 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -8.798 -10.415 9.071 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -9.277 -11.000 11.134 1.00 0.00 O ATOM 0 H GLU A 70 -4.515 -7.891 10.525 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.007 -10.178 8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.496 -9.753 11.409 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.918 -8.884 10.865 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.547 -11.601 9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.870 -11.546 11.429 1.00 0.00 H new ATOM 1080 N GLU A 71 -6.746 -7.466 8.323 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.687 -6.841 7.400 1.00 0.00 C ATOM 1082 C GLU A 71 -7.105 -6.765 5.992 1.00 0.00 C ATOM 1083 O GLU A 71 -7.765 -7.127 5.018 1.00 0.00 O ATOM 1084 CB GLU A 71 -8.055 -5.439 7.889 1.00 0.00 C ATOM 1085 CG GLU A 71 -9.095 -4.747 7.023 1.00 0.00 C ATOM 1086 CD GLU A 71 -9.918 -3.738 7.798 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -9.454 -3.288 8.867 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -11.028 -3.397 7.337 1.00 0.00 O ATOM 0 H GLU A 71 -6.311 -6.821 8.982 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.586 -7.456 7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.431 -5.506 8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.154 -4.826 7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.597 -4.244 6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.758 -5.496 6.589 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.868 -6.290 5.890 1.00 0.00 N ATOM 1096 CA ILE A 72 -5.203 -6.166 4.599 1.00 0.00 C ATOM 1097 C ILE A 72 -5.042 -7.531 3.933 1.00 0.00 C ATOM 1098 O ILE A 72 -5.260 -7.677 2.731 1.00 0.00 O ATOM 1099 CB ILE A 72 -3.822 -5.481 4.737 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -3.338 -4.970 3.376 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -2.798 -6.426 5.354 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -2.936 -6.068 2.414 1.00 0.00 C ATOM 0 H ILE A 72 -5.307 -5.985 6.685 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.835 -5.540 3.970 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.934 -4.628 5.407 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.129 -4.374 2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.487 -4.306 3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.838 -5.917 5.438 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.135 -6.731 6.345 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.688 -7.306 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.606 -5.625 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.123 -6.651 2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.790 -6.719 2.228 1.00 0.00 H new ATOM 1114 N LYS A 73 -4.665 -8.530 4.724 1.00 0.00 N ATOM 1115 CA LYS A 73 -4.483 -9.882 4.208 1.00 0.00 C ATOM 1116 C LYS A 73 -5.806 -10.447 3.703 1.00 0.00 C ATOM 1117 O LYS A 73 -5.837 -11.236 2.759 1.00 0.00 O ATOM 1118 CB LYS A 73 -3.906 -10.793 5.293 1.00 0.00 C ATOM 1119 CG LYS A 73 -3.424 -12.136 4.764 1.00 0.00 C ATOM 1120 CD LYS A 73 -4.079 -13.299 5.495 1.00 0.00 C ATOM 1121 CE LYS A 73 -3.091 -14.016 6.402 1.00 0.00 C ATOM 1122 NZ LYS A 73 -1.975 -14.631 5.631 1.00 0.00 N ATOM 0 H LYS A 73 -4.480 -8.430 5.722 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.782 -9.837 3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.074 -10.283 5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.666 -10.963 6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.643 -12.207 3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.341 -12.202 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.917 -12.932 6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.485 -14.003 4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.686 -13.310 7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.612 -14.789 6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.926 -15.648 5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.141 -14.497 4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.078 -14.178 5.898 1.00 0.00 H new