USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=10 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 49 THR OG1 : rot 180:sc=-0.000971 USER MOD Set 1.2: A 63 MET CE :methyl 143:sc= -0.0944 (180deg=-0.81) USER MOD Set 2.1: A 5 GLN : amide:sc= 0.88 X(o=1.9,f=1.5) USER MOD Set 2.2: A 7 TYR OH : rot 164:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= -0.19 (180deg=-1.57) USER MOD Single : A 2 MET CE :methyl 162:sc= -0.648 (180deg=-1.1) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 43:sc= -0.784! USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc=-0.00941 K(o=-0.0094,f=-0.95) USER MOD Single : A 14 CYS SG : rot 173:sc= -2.64 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.679 K(o=-0.68,f=-2.5) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -0.396 (180deg=-0.719) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0857 K(o=-0.086,f=-1.2) USER MOD Single : A 61 LYS NZ :NH3+ 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.148 -10.604 -8.250 1.00 0.00 N ATOM 2 CA MET A 1 4.646 -9.204 -8.260 1.00 0.00 C ATOM 3 C MET A 1 3.498 -8.211 -8.095 1.00 0.00 C ATOM 4 O MET A 1 3.101 -7.549 -9.053 1.00 0.00 O ATOM 5 CB MET A 1 5.375 -8.957 -9.584 1.00 0.00 C ATOM 6 CG MET A 1 6.620 -8.097 -9.441 1.00 0.00 C ATOM 7 SD MET A 1 7.963 -8.953 -8.594 1.00 0.00 S ATOM 8 CE MET A 1 9.130 -9.166 -9.936 1.00 0.00 C ATOM 0 H1 MET A 1 4.708 -11.176 -8.914 1.00 0.00 H new ATOM 0 H2 MET A 1 4.238 -10.998 -7.292 1.00 0.00 H new ATOM 0 H3 MET A 1 3.149 -10.619 -8.538 1.00 0.00 H new ATOM 0 HA MET A 1 5.328 -9.058 -7.423 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.654 -9.916 -10.020 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.690 -8.477 -10.282 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.958 -7.787 -10.430 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.369 -7.190 -8.891 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.017 -9.682 -9.568 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.669 -9.756 -10.729 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.415 -8.190 -10.329 1.00 0.00 H new ATOM 20 N MET A 2 2.963 -8.104 -6.877 1.00 0.00 N ATOM 21 CA MET A 2 1.862 -7.178 -6.625 1.00 0.00 C ATOM 22 C MET A 2 2.382 -5.752 -6.436 1.00 0.00 C ATOM 23 O MET A 2 3.056 -5.451 -5.453 1.00 0.00 O ATOM 24 CB MET A 2 1.062 -7.623 -5.398 1.00 0.00 C ATOM 25 CG MET A 2 -0.438 -7.429 -5.548 1.00 0.00 C ATOM 26 SD MET A 2 -1.134 -8.409 -6.892 1.00 0.00 S ATOM 27 CE MET A 2 -0.679 -10.064 -6.376 1.00 0.00 C ATOM 0 H MET A 2 3.269 -8.638 -6.064 1.00 0.00 H new ATOM 0 HA MET A 2 1.203 -7.187 -7.493 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.266 -8.676 -5.203 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.407 -7.065 -4.527 1.00 0.00 H new ATOM 0 HG2 MET A 2 -0.931 -7.699 -4.614 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.648 -6.374 -5.726 1.00 0.00 H new ATOM 0 HE1 MET A 2 -1.292 -10.792 -6.907 1.00 0.00 H new ATOM 0 HE2 MET A 2 0.372 -10.240 -6.603 1.00 0.00 H new ATOM 0 HE3 MET A 2 -0.841 -10.168 -5.303 1.00 0.00 H new ATOM 37 N LYS A 3 2.066 -4.876 -7.390 1.00 0.00 N ATOM 38 CA LYS A 3 2.503 -3.482 -7.330 1.00 0.00 C ATOM 39 C LYS A 3 1.775 -2.731 -6.225 1.00 0.00 C ATOM 40 O LYS A 3 0.551 -2.601 -6.246 1.00 0.00 O ATOM 41 CB LYS A 3 2.269 -2.791 -8.677 1.00 0.00 C ATOM 42 CG LYS A 3 0.824 -2.832 -9.144 1.00 0.00 C ATOM 43 CD LYS A 3 0.659 -2.162 -10.498 1.00 0.00 C ATOM 44 CE LYS A 3 1.080 -3.084 -11.632 1.00 0.00 C ATOM 45 NZ LYS A 3 1.407 -2.326 -12.871 1.00 0.00 N ATOM 0 H LYS A 3 1.509 -5.107 -8.213 1.00 0.00 H new ATOM 0 HA LYS A 3 3.570 -3.472 -7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.587 -1.751 -8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.898 -3.263 -9.431 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.489 -3.868 -9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.189 -2.335 -8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.381 -1.867 -10.635 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.255 -1.250 -10.529 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.948 -3.667 -11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.278 -3.792 -11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.689 -2.990 -13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.571 -1.790 -13.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.189 -1.668 -12.679 1.00 0.00 H new ATOM 59 N ILE A 4 2.542 -2.242 -5.259 1.00 0.00 N ATOM 60 CA ILE A 4 1.982 -1.505 -4.136 1.00 0.00 C ATOM 61 C ILE A 4 2.657 -0.146 -3.985 1.00 0.00 C ATOM 62 O ILE A 4 3.879 -0.052 -3.879 1.00 0.00 O ATOM 63 CB ILE A 4 2.121 -2.314 -2.829 1.00 0.00 C ATOM 64 CG1 ILE A 4 1.184 -3.519 -2.862 1.00 0.00 C ATOM 65 CG2 ILE A 4 1.836 -1.451 -1.608 1.00 0.00 C ATOM 66 CD1 ILE A 4 1.905 -4.828 -3.049 1.00 0.00 C ATOM 0 H ILE A 4 3.557 -2.343 -5.232 1.00 0.00 H new ATOM 0 HA ILE A 4 0.923 -1.344 -4.337 1.00 0.00 H new ATOM 0 HB ILE A 4 3.151 -2.663 -2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.616 -3.554 -1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.465 -3.389 -3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.943 -2.052 -0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.541 -0.621 -1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.820 -1.062 -1.667 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.181 -5.643 -3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.451 -4.811 -3.992 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.605 -4.979 -2.227 1.00 0.00 H new ATOM 78 N GLN A 5 1.847 0.903 -3.983 1.00 0.00 N ATOM 79 CA GLN A 5 2.353 2.266 -3.850 1.00 0.00 C ATOM 80 C GLN A 5 1.968 2.861 -2.500 1.00 0.00 C ATOM 81 O GLN A 5 0.844 2.681 -2.033 1.00 0.00 O ATOM 82 CB GLN A 5 1.816 3.144 -4.981 1.00 0.00 C ATOM 83 CG GLN A 5 2.308 2.732 -6.359 1.00 0.00 C ATOM 84 CD GLN A 5 1.182 2.601 -7.366 1.00 0.00 C ATOM 85 OE1 GLN A 5 0.343 3.493 -7.495 1.00 0.00 O ATOM 86 NE2 GLN A 5 1.160 1.487 -8.087 1.00 0.00 N ATOM 0 H GLN A 5 0.833 0.838 -4.072 1.00 0.00 H new ATOM 0 HA GLN A 5 3.441 2.231 -3.913 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.727 3.111 -4.969 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.106 4.178 -4.795 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.028 3.467 -6.718 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.835 1.781 -6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.876 0.774 -7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.427 1.344 -8.782 1.00 0.00 H new ATOM 95 N ILE A 6 2.904 3.582 -1.886 1.00 0.00 N ATOM 96 CA ILE A 6 2.661 4.213 -0.595 1.00 0.00 C ATOM 97 C ILE A 6 2.827 5.720 -0.711 1.00 0.00 C ATOM 98 O ILE A 6 3.925 6.209 -0.975 1.00 0.00 O ATOM 99 CB ILE A 6 3.623 3.679 0.484 1.00 0.00 C ATOM 100 CG1 ILE A 6 3.627 2.147 0.489 1.00 0.00 C ATOM 101 CG2 ILE A 6 3.238 4.219 1.854 1.00 0.00 C ATOM 102 CD1 ILE A 6 4.909 1.546 -0.043 1.00 0.00 C ATOM 0 H ILE A 6 3.838 3.743 -2.264 1.00 0.00 H new ATOM 0 HA ILE A 6 1.640 3.973 -0.298 1.00 0.00 H new ATOM 0 HB ILE A 6 4.630 4.023 0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.465 1.794 1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.790 1.787 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.927 3.832 2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.287 5.308 1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.223 3.904 2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.842 0.459 -0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.063 1.869 -1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.748 1.876 0.570 1.00 0.00 H new ATOM 114 N TYR A 7 1.733 6.457 -0.544 1.00 0.00 N ATOM 115 CA TYR A 7 1.786 7.903 -0.667 1.00 0.00 C ATOM 116 C TYR A 7 1.730 8.603 0.681 1.00 0.00 C ATOM 117 O TYR A 7 0.734 8.524 1.401 1.00 0.00 O ATOM 118 CB TYR A 7 0.662 8.390 -1.584 1.00 0.00 C ATOM 119 CG TYR A 7 0.729 7.776 -2.972 1.00 0.00 C ATOM 120 CD1 TYR A 7 1.450 8.371 -4.003 1.00 0.00 C ATOM 121 CD2 TYR A 7 0.086 6.577 -3.241 1.00 0.00 C ATOM 122 CE1 TYR A 7 1.520 7.786 -5.254 1.00 0.00 C ATOM 123 CE2 TYR A 7 0.149 5.989 -4.487 1.00 0.00 C ATOM 124 CZ TYR A 7 0.867 6.597 -5.490 1.00 0.00 C ATOM 125 OH TYR A 7 0.936 6.013 -6.735 1.00 0.00 O ATOM 0 H TYR A 7 0.811 6.079 -0.326 1.00 0.00 H new ATOM 0 HA TYR A 7 2.748 8.161 -1.110 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.300 8.150 -1.131 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.713 9.476 -1.669 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.963 9.304 -3.823 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.477 6.093 -2.457 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.085 8.260 -6.043 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.363 5.056 -4.674 1.00 0.00 H new ATOM 0 HH TYR A 7 0.650 5.078 -6.674 1.00 0.00 H new ATOM 135 N GLY A 8 2.818 9.299 1.009 1.00 0.00 N ATOM 136 CA GLY A 8 2.890 10.018 2.266 1.00 0.00 C ATOM 137 C GLY A 8 4.148 9.700 3.049 1.00 0.00 C ATOM 138 O GLY A 8 5.007 10.563 3.227 1.00 0.00 O ATOM 0 H GLY A 8 3.650 9.376 0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.850 11.089 2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.018 9.772 2.872 1.00 0.00 H new ATOM 142 N THR A 9 4.253 8.458 3.517 1.00 0.00 N ATOM 143 CA THR A 9 5.411 8.014 4.291 1.00 0.00 C ATOM 144 C THR A 9 5.674 8.934 5.484 1.00 0.00 C ATOM 145 O THR A 9 5.237 8.654 6.599 1.00 0.00 O ATOM 146 CB THR A 9 6.683 7.929 3.420 1.00 0.00 C ATOM 147 OG1 THR A 9 6.653 8.930 2.396 1.00 0.00 O ATOM 148 CG2 THR A 9 6.810 6.552 2.784 1.00 0.00 C ATOM 0 H THR A 9 3.546 7.737 3.373 1.00 0.00 H new ATOM 0 HA THR A 9 5.172 7.016 4.659 1.00 0.00 H new ATOM 0 HB THR A 9 7.546 8.100 4.064 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.343 9.778 2.777 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.713 6.515 2.175 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.868 5.794 3.565 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.940 6.360 2.156 1.00 0.00 H new ATOM 156 N GLY A 10 6.387 10.032 5.244 1.00 0.00 N ATOM 157 CA GLY A 10 6.690 10.967 6.310 1.00 0.00 C ATOM 158 C GLY A 10 5.440 11.528 6.963 1.00 0.00 C ATOM 159 O GLY A 10 5.283 11.455 8.181 1.00 0.00 O ATOM 0 H GLY A 10 6.759 10.289 4.330 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.298 10.468 7.065 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.287 11.787 5.911 1.00 0.00 H new ATOM 163 N CYS A 11 4.550 12.087 6.149 1.00 0.00 N ATOM 164 CA CYS A 11 3.309 12.662 6.655 1.00 0.00 C ATOM 165 C CYS A 11 2.148 11.686 6.488 1.00 0.00 C ATOM 166 O CYS A 11 1.011 12.093 6.254 1.00 0.00 O ATOM 167 CB CYS A 11 2.995 13.971 5.928 1.00 0.00 C ATOM 168 SG CYS A 11 3.860 15.412 6.596 1.00 0.00 S ATOM 0 H CYS A 11 4.665 12.154 5.138 1.00 0.00 H new ATOM 0 HA CYS A 11 3.440 12.865 7.718 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.254 13.861 4.875 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.921 14.151 5.974 1.00 0.00 H new ATOM 0 HG CYS A 11 3.532 16.469 5.915 1.00 0.00 H new ATOM 174 N ALA A 12 2.443 10.396 6.611 1.00 0.00 N ATOM 175 CA ALA A 12 1.422 9.365 6.473 1.00 0.00 C ATOM 176 C ALA A 12 1.815 8.098 7.226 1.00 0.00 C ATOM 177 O ALA A 12 2.897 7.550 7.016 1.00 0.00 O ATOM 178 CB ALA A 12 1.178 9.055 5.003 1.00 0.00 C ATOM 0 H ALA A 12 3.379 10.041 6.806 1.00 0.00 H new ATOM 0 HA ALA A 12 0.498 9.744 6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.413 8.283 4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.843 9.957 4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.103 8.702 4.547 1.00 0.00 H new ATOM 184 N ASN A 13 0.925 7.634 8.098 1.00 0.00 N ATOM 185 CA ASN A 13 1.171 6.426 8.882 1.00 0.00 C ATOM 186 C ASN A 13 0.995 5.159 8.039 1.00 0.00 C ATOM 187 O ASN A 13 1.025 4.048 8.566 1.00 0.00 O ATOM 188 CB ASN A 13 0.234 6.379 10.089 1.00 0.00 C ATOM 189 CG ASN A 13 0.705 7.269 11.222 1.00 0.00 C ATOM 190 OD1 ASN A 13 1.252 8.348 10.992 1.00 0.00 O ATOM 191 ND2 ASN A 13 0.497 6.820 12.454 1.00 0.00 N ATOM 0 H ASN A 13 0.024 8.077 8.280 1.00 0.00 H new ATOM 0 HA ASN A 13 2.205 6.462 9.225 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.766 6.686 9.781 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.157 5.352 10.446 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.794 7.375 13.256 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.040 5.920 12.598 1.00 0.00 H new ATOM 198 N CYS A 14 0.810 5.330 6.730 1.00 0.00 N ATOM 199 CA CYS A 14 0.629 4.194 5.825 1.00 0.00 C ATOM 200 C CYS A 14 1.796 3.210 5.924 1.00 0.00 C ATOM 201 O CYS A 14 1.670 2.045 5.548 1.00 0.00 O ATOM 202 CB CYS A 14 0.481 4.678 4.378 1.00 0.00 C ATOM 203 SG CYS A 14 1.627 5.997 3.910 1.00 0.00 S ATOM 0 H CYS A 14 0.781 6.242 6.273 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.282 3.677 6.126 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.628 3.831 3.708 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.540 5.030 4.228 1.00 0.00 H new ATOM 0 HG CYS A 14 1.524 6.229 2.635 1.00 0.00 H new ATOM 209 N GLN A 15 2.927 3.688 6.433 1.00 0.00 N ATOM 210 CA GLN A 15 4.119 2.866 6.587 1.00 0.00 C ATOM 211 C GLN A 15 3.809 1.560 7.323 1.00 0.00 C ATOM 212 O GLN A 15 4.511 0.562 7.156 1.00 0.00 O ATOM 213 CB GLN A 15 5.184 3.682 7.329 1.00 0.00 C ATOM 214 CG GLN A 15 5.428 3.248 8.769 1.00 0.00 C ATOM 215 CD GLN A 15 6.194 4.283 9.569 1.00 0.00 C ATOM 216 OE1 GLN A 15 7.425 4.319 9.543 1.00 0.00 O ATOM 217 NE2 GLN A 15 5.468 5.132 10.287 1.00 0.00 N ATOM 0 H GLN A 15 3.042 4.651 6.748 1.00 0.00 H new ATOM 0 HA GLN A 15 4.493 2.587 5.602 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.123 3.614 6.779 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.887 4.731 7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.471 3.056 9.254 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.982 2.309 8.773 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.450 5.066 10.279 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.928 5.850 10.846 1.00 0.00 H new ATOM 226 N MET A 16 2.757 1.575 8.136 1.00 0.00 N ATOM 227 CA MET A 16 2.362 0.391 8.892 1.00 0.00 C ATOM 228 C MET A 16 1.950 -0.737 7.952 1.00 0.00 C ATOM 229 O MET A 16 2.574 -1.799 7.931 1.00 0.00 O ATOM 230 CB MET A 16 1.210 0.727 9.843 1.00 0.00 C ATOM 231 CG MET A 16 1.664 1.057 11.255 1.00 0.00 C ATOM 232 SD MET A 16 0.305 1.054 12.440 1.00 0.00 S ATOM 233 CE MET A 16 1.046 0.161 13.804 1.00 0.00 C ATOM 0 H MET A 16 2.164 2.391 8.288 1.00 0.00 H new ATOM 0 HA MET A 16 3.219 0.059 9.477 1.00 0.00 H new ATOM 0 HB2 MET A 16 0.654 1.574 9.442 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.522 -0.118 9.880 1.00 0.00 H new ATOM 0 HG2 MET A 16 2.416 0.333 11.569 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.142 2.036 11.259 1.00 0.00 H new ATOM 0 HE1 MET A 16 0.326 0.077 14.618 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.336 -0.836 13.472 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.928 0.698 14.154 1.00 0.00 H new ATOM 243 N LEU A 17 0.901 -0.501 7.172 1.00 0.00 N ATOM 244 CA LEU A 17 0.414 -1.498 6.227 1.00 0.00 C ATOM 245 C LEU A 17 1.458 -1.778 5.149 1.00 0.00 C ATOM 246 O LEU A 17 1.463 -2.847 4.539 1.00 0.00 O ATOM 247 CB LEU A 17 -0.891 -1.027 5.580 1.00 0.00 C ATOM 248 CG LEU A 17 -1.484 -1.986 4.544 1.00 0.00 C ATOM 249 CD1 LEU A 17 -2.343 -3.041 5.225 1.00 0.00 C ATOM 250 CD2 LEU A 17 -2.294 -1.219 3.511 1.00 0.00 C ATOM 0 H LEU A 17 0.372 0.371 7.176 1.00 0.00 H new ATOM 0 HA LEU A 17 0.225 -2.421 6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.629 -0.863 6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.715 -0.064 5.102 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.665 -2.490 4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.756 -3.714 4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.732 -3.610 5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.156 -2.555 5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.708 -1.916 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.106 -0.688 4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.649 -0.503 3.002 1.00 0.00 H new ATOM 262 N GLU A 18 2.344 -0.811 4.922 1.00 0.00 N ATOM 263 CA GLU A 18 3.399 -0.971 3.908 1.00 0.00 C ATOM 264 C GLU A 18 4.233 -2.213 4.200 1.00 0.00 C ATOM 265 O GLU A 18 4.427 -3.062 3.329 1.00 0.00 O ATOM 266 CB GLU A 18 4.326 0.261 3.820 1.00 0.00 C ATOM 267 CG GLU A 18 5.422 0.111 2.776 1.00 0.00 C ATOM 268 CD GLU A 18 6.702 -0.459 3.355 1.00 0.00 C ATOM 269 OE1 GLU A 18 7.522 0.327 3.871 1.00 0.00 O ATOM 270 OE2 GLU A 18 6.883 -1.694 3.293 1.00 0.00 O ATOM 0 H GLU A 18 2.359 0.082 5.415 1.00 0.00 H new ATOM 0 HA GLU A 18 2.896 -1.078 2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.728 1.142 3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.782 0.435 4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.069 -0.538 1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.630 1.084 2.330 1.00 0.00 H new ATOM 277 N LYS A 19 4.722 -2.315 5.432 1.00 0.00 N ATOM 278 CA LYS A 19 5.533 -3.456 5.840 1.00 0.00 C ATOM 279 C LYS A 19 4.696 -4.732 5.874 1.00 0.00 C ATOM 280 O LYS A 19 5.102 -5.770 5.350 1.00 0.00 O ATOM 281 CB LYS A 19 6.152 -3.202 7.216 1.00 0.00 C ATOM 282 CG LYS A 19 7.045 -4.332 7.701 1.00 0.00 C ATOM 283 CD LYS A 19 6.948 -4.510 9.208 1.00 0.00 C ATOM 284 CE LYS A 19 7.969 -3.652 9.938 1.00 0.00 C ATOM 285 NZ LYS A 19 8.142 -4.078 11.354 1.00 0.00 N ATOM 0 H LYS A 19 4.571 -1.622 6.165 1.00 0.00 H new ATOM 0 HA LYS A 19 6.331 -3.584 5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.734 -2.281 7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.353 -3.045 7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.761 -5.260 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.079 -4.125 7.424 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.945 -4.247 9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.104 -5.558 9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.927 -3.710 9.422 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.654 -2.609 9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.846 -3.468 11.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.233 -3.999 11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.467 -5.065 11.382 1.00 0.00 H new ATOM 299 N ASN A 20 3.523 -4.642 6.493 1.00 0.00 N ATOM 300 CA ASN A 20 2.622 -5.787 6.597 1.00 0.00 C ATOM 301 C ASN A 20 2.286 -6.343 5.216 1.00 0.00 C ATOM 302 O ASN A 20 2.205 -7.557 5.026 1.00 0.00 O ATOM 303 CB ASN A 20 1.333 -5.392 7.324 1.00 0.00 C ATOM 304 CG ASN A 20 1.592 -4.540 8.551 1.00 0.00 C ATOM 305 OD1 ASN A 20 2.716 -4.474 9.049 1.00 0.00 O ATOM 306 ND2 ASN A 20 0.550 -3.882 9.046 1.00 0.00 N ATOM 0 H ASN A 20 3.173 -3.789 6.930 1.00 0.00 H new ATOM 0 HA ASN A 20 3.131 -6.562 7.170 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.686 -4.846 6.637 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.796 -6.294 7.619 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.664 -3.293 9.871 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.364 -3.966 8.601 1.00 0.00 H new ATOM 313 N ALA A 21 2.087 -5.446 4.256 1.00 0.00 N ATOM 314 CA ALA A 21 1.755 -5.841 2.895 1.00 0.00 C ATOM 315 C ALA A 21 2.867 -6.677 2.265 1.00 0.00 C ATOM 316 O ALA A 21 2.604 -7.717 1.664 1.00 0.00 O ATOM 317 CB ALA A 21 1.477 -4.608 2.052 1.00 0.00 C ATOM 0 H ALA A 21 2.150 -4.438 4.398 1.00 0.00 H new ATOM 0 HA ALA A 21 0.859 -6.461 2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.229 -4.911 1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.640 -4.056 2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.362 -3.971 2.036 1.00 0.00 H new ATOM 323 N ARG A 22 4.109 -6.218 2.401 1.00 0.00 N ATOM 324 CA ARG A 22 5.253 -6.931 1.839 1.00 0.00 C ATOM 325 C ARG A 22 5.291 -8.378 2.322 1.00 0.00 C ATOM 326 O ARG A 22 5.636 -9.286 1.566 1.00 0.00 O ATOM 327 CB ARG A 22 6.559 -6.224 2.225 1.00 0.00 C ATOM 328 CG ARG A 22 6.993 -5.157 1.236 1.00 0.00 C ATOM 329 CD ARG A 22 8.170 -4.353 1.765 1.00 0.00 C ATOM 330 NE ARG A 22 9.266 -5.212 2.204 1.00 0.00 N ATOM 331 CZ ARG A 22 10.380 -4.760 2.776 1.00 0.00 C ATOM 332 NH1 ARG A 22 10.550 -3.459 2.980 1.00 0.00 N ATOM 333 NH2 ARG A 22 11.328 -5.611 3.146 1.00 0.00 N ATOM 0 H ARG A 22 4.348 -5.358 2.894 1.00 0.00 H new ATOM 0 HA ARG A 22 5.147 -6.932 0.754 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.438 -5.768 3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.351 -6.967 2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.266 -5.625 0.291 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.157 -4.488 1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.527 -3.679 0.987 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.840 -3.732 2.598 1.00 0.00 H new ATOM 0 HE ARG A 22 9.173 -6.218 2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.825 -2.800 2.698 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.406 -3.119 3.419 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.203 -6.612 2.992 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.181 -5.265 3.584 1.00 0.00 H new ATOM 347 N GLU A 23 4.936 -8.587 3.585 1.00 0.00 N ATOM 348 CA GLU A 23 4.934 -9.925 4.161 1.00 0.00 C ATOM 349 C GLU A 23 3.759 -10.742 3.630 1.00 0.00 C ATOM 350 O GLU A 23 3.933 -11.873 3.182 1.00 0.00 O ATOM 351 CB GLU A 23 4.879 -9.850 5.693 1.00 0.00 C ATOM 352 CG GLU A 23 4.643 -11.192 6.367 1.00 0.00 C ATOM 353 CD GLU A 23 5.167 -11.231 7.789 1.00 0.00 C ATOM 354 OE1 GLU A 23 6.275 -10.706 8.028 1.00 0.00 O ATOM 355 OE2 GLU A 23 4.470 -11.786 8.664 1.00 0.00 O ATOM 0 H GLU A 23 4.647 -7.849 4.227 1.00 0.00 H new ATOM 0 HA GLU A 23 5.859 -10.422 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.815 -9.430 6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.085 -9.163 5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.575 -11.409 6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.126 -11.977 5.784 1.00 0.00 H new ATOM 362 N ALA A 24 2.563 -10.164 3.687 1.00 0.00 N ATOM 363 CA ALA A 24 1.362 -10.844 3.217 1.00 0.00 C ATOM 364 C ALA A 24 1.452 -11.192 1.737 1.00 0.00 C ATOM 365 O ALA A 24 1.214 -12.335 1.348 1.00 0.00 O ATOM 366 CB ALA A 24 0.133 -9.987 3.484 1.00 0.00 C ATOM 0 H ALA A 24 2.400 -9.226 4.054 1.00 0.00 H new ATOM 0 HA ALA A 24 1.274 -11.779 3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.757 -10.506 3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.043 -9.804 4.555 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.232 -9.036 2.960 1.00 0.00 H new ATOM 372 N VAL A 25 1.792 -10.208 0.910 1.00 0.00 N ATOM 373 CA VAL A 25 1.901 -10.430 -0.529 1.00 0.00 C ATOM 374 C VAL A 25 2.830 -11.610 -0.824 1.00 0.00 C ATOM 375 O VAL A 25 2.430 -12.576 -1.474 1.00 0.00 O ATOM 376 CB VAL A 25 2.405 -9.151 -1.264 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.824 -8.797 -0.846 1.00 0.00 C ATOM 378 CG2 VAL A 25 2.318 -9.334 -2.771 1.00 0.00 C ATOM 0 H VAL A 25 1.996 -9.254 1.209 1.00 0.00 H new ATOM 0 HA VAL A 25 0.905 -10.665 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 25 1.758 -8.322 -0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.147 -7.901 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.852 -8.613 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.492 -9.623 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.674 -8.432 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.935 -10.181 -3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.283 -9.521 -3.056 1.00 0.00 H new ATOM 388 N LYS A 26 4.059 -11.539 -0.325 1.00 0.00 N ATOM 389 CA LYS A 26 5.033 -12.609 -0.517 1.00 0.00 C ATOM 390 C LYS A 26 4.587 -13.887 0.193 1.00 0.00 C ATOM 391 O LYS A 26 4.622 -14.973 -0.385 1.00 0.00 O ATOM 392 CB LYS A 26 6.402 -12.180 0.014 1.00 0.00 C ATOM 393 CG LYS A 26 7.093 -11.135 -0.846 1.00 0.00 C ATOM 394 CD LYS A 26 8.394 -11.663 -1.431 1.00 0.00 C ATOM 395 CE LYS A 26 9.561 -11.440 -0.484 1.00 0.00 C ATOM 396 NZ LYS A 26 9.358 -12.132 0.820 1.00 0.00 N ATOM 0 H LYS A 26 4.406 -10.748 0.218 1.00 0.00 H new ATOM 0 HA LYS A 26 5.106 -12.810 -1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.283 -11.786 1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.044 -13.058 0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.428 -10.830 -1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.296 -10.247 -0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.294 -12.728 -1.642 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.595 -11.167 -2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.479 -11.801 -0.948 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.690 -10.371 -0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.244 -12.114 1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.612 -11.647 1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.076 -13.118 0.649 1.00 0.00 H new ATOM 410 N GLU A 27 4.176 -13.750 1.452 1.00 0.00 N ATOM 411 CA GLU A 27 3.732 -14.895 2.246 1.00 0.00 C ATOM 412 C GLU A 27 2.599 -15.644 1.552 1.00 0.00 C ATOM 413 O GLU A 27 2.635 -16.869 1.432 1.00 0.00 O ATOM 414 CB GLU A 27 3.282 -14.444 3.636 1.00 0.00 C ATOM 415 CG GLU A 27 2.892 -15.593 4.552 1.00 0.00 C ATOM 416 CD GLU A 27 4.087 -16.410 5.005 1.00 0.00 C ATOM 417 OE1 GLU A 27 5.167 -16.275 4.391 1.00 0.00 O ATOM 418 OE2 GLU A 27 3.943 -17.184 5.974 1.00 0.00 O ATOM 0 H GLU A 27 4.141 -12.858 1.945 1.00 0.00 H new ATOM 0 HA GLU A 27 4.579 -15.573 2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.087 -13.875 4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.433 -13.769 3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.375 -15.197 5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.188 -16.243 4.033 1.00 0.00 H new ATOM 425 N LEU A 28 1.594 -14.903 1.088 1.00 0.00 N ATOM 426 CA LEU A 28 0.457 -15.510 0.400 1.00 0.00 C ATOM 427 C LEU A 28 0.930 -16.393 -0.752 1.00 0.00 C ATOM 428 O LEU A 28 0.213 -17.290 -1.194 1.00 0.00 O ATOM 429 CB LEU A 28 -0.494 -14.430 -0.125 1.00 0.00 C ATOM 430 CG LEU A 28 -1.977 -14.799 -0.085 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.229 -16.090 -0.849 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.453 -14.928 1.353 1.00 0.00 C ATOM 0 H LEU A 28 1.544 -13.888 1.175 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.078 -16.131 1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.345 -13.522 0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.221 -14.196 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.543 -14.001 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.290 -16.335 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.925 -15.963 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.652 -16.898 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.511 -15.191 1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.880 -15.706 1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.310 -13.979 1.870 1.00 0.00 H new ATOM 444 N GLY A 29 2.144 -16.134 -1.230 1.00 0.00 N ATOM 445 CA GLY A 29 2.693 -16.916 -2.320 1.00 0.00 C ATOM 446 C GLY A 29 2.875 -16.103 -3.586 1.00 0.00 C ATOM 447 O GLY A 29 2.490 -16.538 -4.670 1.00 0.00 O ATOM 0 H GLY A 29 2.756 -15.396 -0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.655 -17.330 -2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.034 -17.759 -2.526 1.00 0.00 H new ATOM 451 N ILE A 30 3.467 -14.920 -3.448 1.00 0.00 N ATOM 452 CA ILE A 30 3.701 -14.051 -4.593 1.00 0.00 C ATOM 453 C ILE A 30 4.408 -12.765 -4.182 1.00 0.00 C ATOM 454 O ILE A 30 3.973 -12.059 -3.275 1.00 0.00 O ATOM 455 CB ILE A 30 2.386 -13.702 -5.315 1.00 0.00 C ATOM 456 CG1 ILE A 30 2.638 -12.715 -6.457 1.00 0.00 C ATOM 457 CG2 ILE A 30 1.373 -13.135 -4.330 1.00 0.00 C ATOM 458 CD1 ILE A 30 1.514 -12.664 -7.469 1.00 0.00 C ATOM 0 H ILE A 30 3.792 -14.544 -2.557 1.00 0.00 H new ATOM 0 HA ILE A 30 4.344 -14.604 -5.278 1.00 0.00 H new ATOM 0 HB ILE A 30 1.977 -14.617 -5.743 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.786 -11.719 -6.040 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.562 -12.988 -6.966 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.450 -12.894 -4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.167 -13.873 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.777 -12.232 -3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.760 -11.944 -8.250 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.380 -13.650 -7.914 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.592 -12.361 -6.973 1.00 0.00 H new ATOM 470 N ASP A 31 5.497 -12.470 -4.875 1.00 0.00 N ATOM 471 CA ASP A 31 6.281 -11.274 -4.616 1.00 0.00 C ATOM 472 C ASP A 31 5.514 -10.029 -5.038 1.00 0.00 C ATOM 473 O ASP A 31 4.532 -10.116 -5.773 1.00 0.00 O ATOM 474 CB ASP A 31 7.614 -11.346 -5.367 1.00 0.00 C ATOM 475 CG ASP A 31 8.682 -10.463 -4.750 1.00 0.00 C ATOM 476 OD1 ASP A 31 8.331 -9.594 -3.925 1.00 0.00 O ATOM 477 OD2 ASP A 31 9.870 -10.642 -5.093 1.00 0.00 O ATOM 0 H ASP A 31 5.861 -13.051 -5.630 1.00 0.00 H new ATOM 0 HA ASP A 31 6.477 -11.215 -3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.964 -12.378 -5.379 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.458 -11.050 -6.404 1.00 0.00 H new ATOM 482 N ALA A 32 5.966 -8.875 -4.570 1.00 0.00 N ATOM 483 CA ALA A 32 5.342 -7.616 -4.898 1.00 0.00 C ATOM 484 C ALA A 32 6.400 -6.539 -4.954 1.00 0.00 C ATOM 485 O ALA A 32 7.566 -6.789 -4.648 1.00 0.00 O ATOM 486 CB ALA A 32 4.269 -7.270 -3.882 1.00 0.00 C ATOM 0 H ALA A 32 6.775 -8.792 -3.954 1.00 0.00 H new ATOM 0 HA ALA A 32 4.859 -7.693 -5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.811 -6.317 -4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.508 -8.050 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.717 -7.194 -2.891 1.00 0.00 H new ATOM 492 N GLU A 33 6.004 -5.344 -5.333 1.00 0.00 N ATOM 493 CA GLU A 33 6.945 -4.247 -5.409 1.00 0.00 C ATOM 494 C GLU A 33 6.382 -3.028 -4.702 1.00 0.00 C ATOM 495 O GLU A 33 5.451 -2.389 -5.190 1.00 0.00 O ATOM 496 CB GLU A 33 7.284 -3.900 -6.863 1.00 0.00 C ATOM 497 CG GLU A 33 6.987 -5.014 -7.854 1.00 0.00 C ATOM 498 CD GLU A 33 5.614 -4.882 -8.484 1.00 0.00 C ATOM 499 OE1 GLU A 33 5.434 -3.983 -9.332 1.00 0.00 O ATOM 500 OE2 GLU A 33 4.719 -5.678 -8.129 1.00 0.00 O ATOM 0 H GLU A 33 5.046 -5.107 -5.591 1.00 0.00 H new ATOM 0 HA GLU A 33 7.865 -4.559 -4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.723 -3.012 -7.153 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.342 -3.644 -6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.744 -5.010 -8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.059 -5.976 -7.346 1.00 0.00 H new ATOM 507 N PHE A 34 6.942 -2.717 -3.545 1.00 0.00 N ATOM 508 CA PHE A 34 6.479 -1.581 -2.769 1.00 0.00 C ATOM 509 C PHE A 34 7.401 -0.389 -2.939 1.00 0.00 C ATOM 510 O PHE A 34 8.527 -0.374 -2.441 1.00 0.00 O ATOM 511 CB PHE A 34 6.359 -1.970 -1.301 1.00 0.00 C ATOM 512 CG PHE A 34 5.471 -3.162 -1.096 1.00 0.00 C ATOM 513 CD1 PHE A 34 5.908 -4.436 -1.426 1.00 0.00 C ATOM 514 CD2 PHE A 34 4.190 -3.008 -0.594 1.00 0.00 C ATOM 515 CE1 PHE A 34 5.084 -5.530 -1.258 1.00 0.00 C ATOM 516 CE2 PHE A 34 3.364 -4.098 -0.423 1.00 0.00 C ATOM 517 CZ PHE A 34 3.809 -5.361 -0.756 1.00 0.00 C ATOM 0 H PHE A 34 7.715 -3.233 -3.124 1.00 0.00 H new ATOM 0 HA PHE A 34 5.495 -1.289 -3.137 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.350 -2.186 -0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.966 -1.126 -0.735 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.905 -4.574 -1.819 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.834 -2.022 -0.333 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.436 -6.517 -1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.368 -3.964 -0.028 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.161 -6.215 -0.624 1.00 0.00 H new ATOM 527 N GLU A 35 6.905 0.612 -3.652 1.00 0.00 N ATOM 528 CA GLU A 35 7.666 1.825 -3.905 1.00 0.00 C ATOM 529 C GLU A 35 6.960 3.043 -3.319 1.00 0.00 C ATOM 530 O GLU A 35 5.797 3.310 -3.625 1.00 0.00 O ATOM 531 CB GLU A 35 7.872 2.018 -5.408 1.00 0.00 C ATOM 532 CG GLU A 35 6.574 2.064 -6.198 1.00 0.00 C ATOM 533 CD GLU A 35 6.802 2.267 -7.683 1.00 0.00 C ATOM 534 OE1 GLU A 35 7.887 2.760 -8.055 1.00 0.00 O ATOM 535 OE2 GLU A 35 5.895 1.932 -8.474 1.00 0.00 O ATOM 0 H GLU A 35 5.973 0.607 -4.067 1.00 0.00 H new ATOM 0 HA GLU A 35 8.637 1.722 -3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.423 2.944 -5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.491 1.206 -5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.025 1.135 -6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.949 2.872 -5.816 1.00 0.00 H new ATOM 542 N LYS A 36 7.674 3.782 -2.477 1.00 0.00 N ATOM 543 CA LYS A 36 7.119 4.975 -1.856 1.00 0.00 C ATOM 544 C LYS A 36 7.427 6.202 -2.705 1.00 0.00 C ATOM 545 O LYS A 36 8.498 6.297 -3.305 1.00 0.00 O ATOM 546 CB LYS A 36 7.679 5.161 -0.445 1.00 0.00 C ATOM 547 CG LYS A 36 7.739 3.874 0.366 1.00 0.00 C ATOM 548 CD LYS A 36 9.092 3.698 1.039 1.00 0.00 C ATOM 549 CE LYS A 36 9.588 2.265 0.926 1.00 0.00 C ATOM 550 NZ LYS A 36 10.798 2.030 1.763 1.00 0.00 N ATOM 0 H LYS A 36 8.636 3.575 -2.210 1.00 0.00 H new ATOM 0 HA LYS A 36 6.038 4.853 -1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.682 5.583 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.064 5.887 0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.954 3.883 1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.543 3.023 -0.286 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.817 4.372 0.583 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.016 3.976 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.796 1.581 1.232 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.818 2.041 -0.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.106 1.042 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.562 2.665 1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.572 2.219 2.760 1.00 0.00 H new ATOM 564 N ILE A 37 6.487 7.136 -2.758 1.00 0.00 N ATOM 565 CA ILE A 37 6.669 8.351 -3.542 1.00 0.00 C ATOM 566 C ILE A 37 6.834 9.558 -2.620 1.00 0.00 C ATOM 567 O ILE A 37 6.821 9.419 -1.397 1.00 0.00 O ATOM 568 CB ILE A 37 5.474 8.580 -4.512 1.00 0.00 C ATOM 569 CG1 ILE A 37 4.408 9.465 -3.874 1.00 0.00 C ATOM 570 CG2 ILE A 37 4.859 7.250 -4.930 1.00 0.00 C ATOM 571 CD1 ILE A 37 3.905 8.923 -2.563 1.00 0.00 C ATOM 0 H ILE A 37 5.594 7.077 -2.269 1.00 0.00 H new ATOM 0 HA ILE A 37 7.573 8.232 -4.139 1.00 0.00 H new ATOM 0 HB ILE A 37 5.860 9.087 -5.397 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.818 10.462 -3.716 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.570 9.570 -4.563 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.025 7.432 -5.608 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.611 6.644 -5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.500 6.722 -4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.149 9.595 -2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.467 7.937 -2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.734 8.843 -1.860 1.00 0.00 H new ATOM 583 N LYS A 38 6.968 10.740 -3.207 1.00 0.00 N ATOM 584 CA LYS A 38 7.110 11.959 -2.423 1.00 0.00 C ATOM 585 C LYS A 38 6.731 13.180 -3.255 1.00 0.00 C ATOM 586 O LYS A 38 7.592 13.936 -3.703 1.00 0.00 O ATOM 587 CB LYS A 38 8.538 12.094 -1.896 1.00 0.00 C ATOM 588 CG LYS A 38 9.598 12.066 -2.986 1.00 0.00 C ATOM 589 CD LYS A 38 10.917 11.514 -2.468 1.00 0.00 C ATOM 590 CE LYS A 38 12.032 12.544 -2.568 1.00 0.00 C ATOM 591 NZ LYS A 38 13.065 12.349 -1.515 1.00 0.00 N ATOM 0 H LYS A 38 6.981 10.880 -4.217 1.00 0.00 H new ATOM 0 HA LYS A 38 6.432 11.899 -1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.624 13.029 -1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.733 11.286 -1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.249 11.455 -3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.751 13.074 -3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.800 11.203 -1.430 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.189 10.625 -3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.499 12.479 -3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.610 13.545 -2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.807 13.071 -1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.625 12.436 -0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.486 11.403 -1.613 1.00 0.00 H new ATOM 605 N GLU A 39 5.423 13.352 -3.445 1.00 0.00 N ATOM 606 CA GLU A 39 4.869 14.470 -4.220 1.00 0.00 C ATOM 607 C GLU A 39 3.468 14.120 -4.710 1.00 0.00 C ATOM 608 O GLU A 39 3.259 13.051 -5.284 1.00 0.00 O ATOM 609 CB GLU A 39 5.759 14.812 -5.420 1.00 0.00 C ATOM 610 CG GLU A 39 6.252 13.591 -6.181 1.00 0.00 C ATOM 611 CD GLU A 39 7.750 13.616 -6.419 1.00 0.00 C ATOM 612 OE1 GLU A 39 8.299 14.717 -6.634 1.00 0.00 O ATOM 613 OE2 GLU A 39 8.374 12.534 -6.391 1.00 0.00 O ATOM 0 H GLU A 39 4.715 12.722 -3.067 1.00 0.00 H new ATOM 0 HA GLU A 39 4.825 15.341 -3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.203 15.455 -6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.619 15.385 -5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.992 12.691 -5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.737 13.533 -7.140 1.00 0.00 H new ATOM 620 N MET A 40 2.506 15.016 -4.484 1.00 0.00 N ATOM 621 CA MET A 40 1.129 14.772 -4.906 1.00 0.00 C ATOM 622 C MET A 40 1.064 14.402 -6.380 1.00 0.00 C ATOM 623 O MET A 40 0.161 13.681 -6.802 1.00 0.00 O ATOM 624 CB MET A 40 0.250 15.997 -4.620 1.00 0.00 C ATOM 625 CG MET A 40 0.494 17.170 -5.560 1.00 0.00 C ATOM 626 SD MET A 40 1.931 18.153 -5.090 1.00 0.00 S ATOM 627 CE MET A 40 1.800 19.515 -6.246 1.00 0.00 C ATOM 0 H MET A 40 2.654 15.910 -4.015 1.00 0.00 H new ATOM 0 HA MET A 40 0.747 13.929 -4.330 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.797 15.703 -4.687 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.424 16.324 -3.595 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.632 16.795 -6.574 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.389 17.809 -5.574 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.621 20.212 -6.081 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.848 19.133 -7.266 1.00 0.00 H new ATOM 0 HE3 MET A 40 0.851 20.030 -6.096 1.00 0.00 H new ATOM 637 N ASP A 41 2.035 14.872 -7.161 1.00 0.00 N ATOM 638 CA ASP A 41 2.074 14.549 -8.582 1.00 0.00 C ATOM 639 C ASP A 41 1.962 13.041 -8.747 1.00 0.00 C ATOM 640 O ASP A 41 1.276 12.545 -9.640 1.00 0.00 O ATOM 641 CB ASP A 41 3.371 15.061 -9.215 1.00 0.00 C ATOM 642 CG ASP A 41 3.124 15.813 -10.508 1.00 0.00 C ATOM 643 OD1 ASP A 41 2.703 16.988 -10.441 1.00 0.00 O ATOM 644 OD2 ASP A 41 3.353 15.229 -11.587 1.00 0.00 O ATOM 0 H ASP A 41 2.795 15.470 -6.837 1.00 0.00 H new ATOM 0 HA ASP A 41 1.240 15.035 -9.088 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.883 15.715 -8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.035 14.219 -9.409 1.00 0.00 H new ATOM 649 N GLN A 42 2.624 12.324 -7.846 1.00 0.00 N ATOM 650 CA GLN A 42 2.588 10.873 -7.841 1.00 0.00 C ATOM 651 C GLN A 42 1.384 10.384 -7.040 1.00 0.00 C ATOM 652 O GLN A 42 0.765 9.376 -7.380 1.00 0.00 O ATOM 653 CB GLN A 42 3.879 10.307 -7.246 1.00 0.00 C ATOM 654 CG GLN A 42 4.933 9.973 -8.288 1.00 0.00 C ATOM 655 CD GLN A 42 4.564 8.762 -9.123 1.00 0.00 C ATOM 656 OE1 GLN A 42 3.606 8.052 -8.818 1.00 0.00 O ATOM 657 NE2 GLN A 42 5.325 8.520 -10.184 1.00 0.00 N ATOM 0 H GLN A 42 3.195 12.731 -7.106 1.00 0.00 H new ATOM 0 HA GLN A 42 2.498 10.523 -8.869 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.292 11.029 -6.542 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.644 9.407 -6.678 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.076 10.832 -8.944 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.885 9.790 -7.790 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.110 9.135 -10.400 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.125 7.719 -10.783 1.00 0.00 H new ATOM 666 N ILE A 43 1.061 11.110 -5.967 1.00 0.00 N ATOM 667 CA ILE A 43 -0.062 10.750 -5.108 1.00 0.00 C ATOM 668 C ILE A 43 -1.376 10.757 -5.878 1.00 0.00 C ATOM 669 O ILE A 43 -2.102 9.764 -5.902 1.00 0.00 O ATOM 670 CB ILE A 43 -0.181 11.682 -3.882 1.00 0.00 C ATOM 671 CG1 ILE A 43 1.182 11.881 -3.215 1.00 0.00 C ATOM 672 CG2 ILE A 43 -1.167 11.105 -2.880 1.00 0.00 C ATOM 673 CD1 ILE A 43 1.147 12.839 -2.045 1.00 0.00 C ATOM 0 H ILE A 43 1.562 11.949 -5.675 1.00 0.00 H new ATOM 0 HA ILE A 43 0.139 9.739 -4.753 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.543 12.651 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.555 10.916 -2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.890 12.251 -3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.243 11.770 -2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.146 11.005 -3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.820 10.125 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.147 12.932 -1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.805 13.816 -2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.464 12.460 -1.285 1.00 0.00 H new ATOM 685 N LEU A 44 -1.667 11.879 -6.513 1.00 0.00 N ATOM 686 CA LEU A 44 -2.891 12.026 -7.293 1.00 0.00 C ATOM 687 C LEU A 44 -2.957 10.977 -8.399 1.00 0.00 C ATOM 688 O LEU A 44 -4.026 10.446 -8.701 1.00 0.00 O ATOM 689 CB LEU A 44 -2.989 13.452 -7.865 1.00 0.00 C ATOM 690 CG LEU A 44 -2.728 13.605 -9.369 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.377 14.876 -9.894 1.00 0.00 C ATOM 692 CD2 LEU A 44 -1.235 13.611 -9.657 1.00 0.00 C ATOM 0 H LEU A 44 -1.071 12.707 -6.506 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.746 11.865 -6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.986 13.838 -7.651 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.280 14.084 -7.330 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.172 12.752 -9.883 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.182 14.969 -10.962 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.453 14.832 -9.724 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.962 15.739 -9.373 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.072 13.720 -10.729 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.766 14.443 -9.132 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.795 12.674 -9.317 1.00 0.00 H new ATOM 704 N GLU A 45 -1.807 10.675 -8.994 1.00 0.00 N ATOM 705 CA GLU A 45 -1.739 9.678 -10.058 1.00 0.00 C ATOM 706 C GLU A 45 -2.325 8.351 -9.587 1.00 0.00 C ATOM 707 O GLU A 45 -2.802 7.549 -10.388 1.00 0.00 O ATOM 708 CB GLU A 45 -0.294 9.479 -10.510 1.00 0.00 C ATOM 709 CG GLU A 45 -0.166 8.951 -11.931 1.00 0.00 C ATOM 710 CD GLU A 45 0.565 9.911 -12.849 1.00 0.00 C ATOM 711 OE1 GLU A 45 1.812 9.857 -12.895 1.00 0.00 O ATOM 712 OE2 GLU A 45 -0.111 10.718 -13.524 1.00 0.00 O ATOM 0 H GLU A 45 -0.912 11.104 -8.759 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.326 10.039 -10.902 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.235 10.429 -10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.199 8.786 -9.828 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.363 7.998 -11.914 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.160 8.757 -12.333 1.00 0.00 H new ATOM 719 N ALA A 46 -2.296 8.139 -8.276 1.00 0.00 N ATOM 720 CA ALA A 46 -2.834 6.924 -7.685 1.00 0.00 C ATOM 721 C ALA A 46 -4.353 6.960 -7.715 1.00 0.00 C ATOM 722 O ALA A 46 -5.008 5.933 -7.892 1.00 0.00 O ATOM 723 CB ALA A 46 -2.333 6.763 -6.257 1.00 0.00 C ATOM 0 H ALA A 46 -1.904 8.797 -7.602 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.493 6.068 -8.267 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.744 5.849 -5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.245 6.706 -6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.651 7.619 -5.661 1.00 0.00 H new ATOM 729 N GLY A 47 -4.905 8.157 -7.546 1.00 0.00 N ATOM 730 CA GLY A 47 -6.344 8.315 -7.563 1.00 0.00 C ATOM 731 C GLY A 47 -6.928 8.580 -6.188 1.00 0.00 C ATOM 732 O GLY A 47 -8.128 8.828 -6.059 1.00 0.00 O ATOM 0 H GLY A 47 -4.380 9.019 -7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.606 9.138 -8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.798 7.415 -7.977 1.00 0.00 H new ATOM 736 N LEU A 48 -6.090 8.528 -5.156 1.00 0.00 N ATOM 737 CA LEU A 48 -6.555 8.766 -3.793 1.00 0.00 C ATOM 738 C LEU A 48 -6.835 10.249 -3.547 1.00 0.00 C ATOM 739 O LEU A 48 -6.305 11.119 -4.238 1.00 0.00 O ATOM 740 CB LEU A 48 -5.548 8.224 -2.758 1.00 0.00 C ATOM 741 CG LEU A 48 -4.106 8.779 -2.782 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.111 7.684 -3.142 1.00 0.00 C ATOM 743 CD2 LEU A 48 -3.948 9.973 -3.719 1.00 0.00 C ATOM 0 H LEU A 48 -5.094 8.325 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.493 8.224 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.959 8.408 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.491 7.143 -2.884 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.893 9.136 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.103 8.098 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.167 6.884 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.350 7.285 -4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.915 10.320 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.207 9.675 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.609 10.778 -3.397 1.00 0.00 H new ATOM 755 N THR A 49 -7.679 10.526 -2.557 1.00 0.00 N ATOM 756 CA THR A 49 -8.036 11.899 -2.213 1.00 0.00 C ATOM 757 C THR A 49 -7.486 12.286 -0.841 1.00 0.00 C ATOM 758 O THR A 49 -7.539 13.450 -0.446 1.00 0.00 O ATOM 759 CB THR A 49 -9.563 12.102 -2.216 1.00 0.00 C ATOM 760 OG1 THR A 49 -10.160 11.355 -1.151 1.00 0.00 O ATOM 761 CG2 THR A 49 -10.165 11.669 -3.545 1.00 0.00 C ATOM 0 H THR A 49 -8.129 9.817 -1.978 1.00 0.00 H new ATOM 0 HA THR A 49 -7.590 12.539 -2.974 1.00 0.00 H new ATOM 0 HB THR A 49 -9.765 13.163 -2.072 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.130 11.491 -1.160 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.244 11.822 -3.523 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.731 12.261 -4.351 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.952 10.614 -3.715 1.00 0.00 H new ATOM 769 N ALA A 50 -6.954 11.300 -0.126 1.00 0.00 N ATOM 770 CA ALA A 50 -6.386 11.525 1.195 1.00 0.00 C ATOM 771 C ALA A 50 -4.865 11.562 1.120 1.00 0.00 C ATOM 772 O ALA A 50 -4.293 11.500 0.032 1.00 0.00 O ATOM 773 CB ALA A 50 -6.844 10.438 2.153 1.00 0.00 C ATOM 0 H ALA A 50 -6.905 10.332 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.735 12.488 1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.413 10.616 3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.932 10.451 2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.516 9.466 1.784 1.00 0.00 H new ATOM 779 N LEU A 51 -4.209 11.667 2.270 1.00 0.00 N ATOM 780 CA LEU A 51 -2.754 11.714 2.292 1.00 0.00 C ATOM 781 C LEU A 51 -2.146 10.314 2.308 1.00 0.00 C ATOM 782 O LEU A 51 -1.467 9.924 1.358 1.00 0.00 O ATOM 783 CB LEU A 51 -2.250 12.542 3.478 1.00 0.00 C ATOM 784 CG LEU A 51 -1.580 13.866 3.106 1.00 0.00 C ATOM 785 CD1 LEU A 51 -1.532 14.795 4.307 1.00 0.00 C ATOM 786 CD2 LEU A 51 -0.180 13.619 2.564 1.00 0.00 C ATOM 0 H LEU A 51 -4.654 11.720 3.186 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.429 12.202 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.091 12.751 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.540 11.940 4.046 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.172 14.345 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.052 15.732 4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.546 14.997 4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.963 14.324 5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.283 14.571 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.421 13.119 3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.239 12.990 1.676 1.00 0.00 H new ATOM 798 N PRO A 52 -2.379 9.527 3.373 1.00 0.00 N ATOM 799 CA PRO A 52 -1.846 8.167 3.471 1.00 0.00 C ATOM 800 C PRO A 52 -2.518 7.221 2.478 1.00 0.00 C ATOM 801 O PRO A 52 -3.132 6.229 2.870 1.00 0.00 O ATOM 802 CB PRO A 52 -2.163 7.743 4.914 1.00 0.00 C ATOM 803 CG PRO A 52 -2.611 8.983 5.613 1.00 0.00 C ATOM 804 CD PRO A 52 -3.177 9.880 4.552 1.00 0.00 C ATOM 0 HA PRO A 52 -0.782 8.132 3.238 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.941 6.979 4.935 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.284 7.317 5.398 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.361 8.754 6.370 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.778 9.464 6.125 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.240 9.697 4.392 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.071 10.933 4.813 1.00 0.00 H new ATOM 812 N GLY A 53 -2.403 7.533 1.188 1.00 0.00 N ATOM 813 CA GLY A 53 -3.007 6.698 0.172 1.00 0.00 C ATOM 814 C GLY A 53 -2.093 5.575 -0.263 1.00 0.00 C ATOM 815 O GLY A 53 -0.884 5.763 -0.387 1.00 0.00 O ATOM 0 H GLY A 53 -1.903 8.348 0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.938 6.279 0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.265 7.310 -0.693 1.00 0.00 H new ATOM 819 N LEU A 54 -2.672 4.408 -0.499 1.00 0.00 N ATOM 820 CA LEU A 54 -1.903 3.251 -0.932 1.00 0.00 C ATOM 821 C LEU A 54 -2.618 2.546 -2.073 1.00 0.00 C ATOM 822 O LEU A 54 -3.684 1.962 -1.881 1.00 0.00 O ATOM 823 CB LEU A 54 -1.684 2.282 0.231 1.00 0.00 C ATOM 824 CG LEU A 54 -0.932 0.997 -0.131 1.00 0.00 C ATOM 825 CD1 LEU A 54 0.108 0.663 0.929 1.00 0.00 C ATOM 826 CD2 LEU A 54 -1.907 -0.158 -0.307 1.00 0.00 C ATOM 0 H LEU A 54 -3.672 4.237 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.930 3.595 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.133 2.799 1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.655 2.012 0.647 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.414 1.159 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.630 -0.253 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.825 1.480 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.385 0.522 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.356 -1.063 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.454 -0.317 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.610 0.078 -1.106 1.00 0.00 H new ATOM 838 N ALA A 55 -2.035 2.611 -3.262 1.00 0.00 N ATOM 839 CA ALA A 55 -2.638 1.980 -4.426 1.00 0.00 C ATOM 840 C ALA A 55 -2.008 0.623 -4.702 1.00 0.00 C ATOM 841 O ALA A 55 -0.792 0.510 -4.860 1.00 0.00 O ATOM 842 CB ALA A 55 -2.513 2.883 -5.643 1.00 0.00 C ATOM 0 H ALA A 55 -1.153 3.090 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.696 1.823 -4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.969 2.397 -6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.021 3.828 -5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.460 3.073 -5.848 1.00 0.00 H new ATOM 848 N VAL A 56 -2.845 -0.405 -4.759 1.00 0.00 N ATOM 849 CA VAL A 56 -2.377 -1.757 -5.015 1.00 0.00 C ATOM 850 C VAL A 56 -2.881 -2.264 -6.352 1.00 0.00 C ATOM 851 O VAL A 56 -4.026 -2.022 -6.732 1.00 0.00 O ATOM 852 CB VAL A 56 -2.807 -2.737 -3.908 1.00 0.00 C ATOM 853 CG1 VAL A 56 -1.720 -2.833 -2.855 1.00 0.00 C ATOM 854 CG2 VAL A 56 -4.135 -2.320 -3.289 1.00 0.00 C ATOM 0 H VAL A 56 -3.854 -0.326 -4.631 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.288 -1.710 -5.030 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.952 -3.722 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.030 -3.528 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.799 -3.191 -3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.549 -1.849 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.413 -3.031 -2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.037 -1.325 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.907 -2.305 -4.059 1.00 0.00 H new ATOM 864 N ASP A 57 -2.009 -2.958 -7.069 1.00 0.00 N ATOM 865 CA ASP A 57 -2.355 -3.492 -8.384 1.00 0.00 C ATOM 866 C ASP A 57 -2.984 -2.406 -9.257 1.00 0.00 C ATOM 867 O ASP A 57 -3.745 -2.700 -10.178 1.00 0.00 O ATOM 868 CB ASP A 57 -3.321 -4.673 -8.245 1.00 0.00 C ATOM 869 CG ASP A 57 -3.326 -5.561 -9.474 1.00 0.00 C ATOM 870 OD1 ASP A 57 -4.131 -5.298 -10.393 1.00 0.00 O ATOM 871 OD2 ASP A 57 -2.526 -6.518 -9.519 1.00 0.00 O ATOM 0 H ASP A 57 -1.058 -3.166 -6.766 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.439 -3.839 -8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.044 -5.265 -7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.328 -4.296 -8.068 1.00 0.00 H new ATOM 876 N GLY A 58 -2.665 -1.148 -8.950 1.00 0.00 N ATOM 877 CA GLY A 58 -3.212 -0.036 -9.706 1.00 0.00 C ATOM 878 C GLY A 58 -4.642 0.274 -9.319 1.00 0.00 C ATOM 879 O GLY A 58 -5.419 0.770 -10.135 1.00 0.00 O ATOM 0 H GLY A 58 -2.038 -0.882 -8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.595 0.848 -9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.168 -0.267 -10.770 1.00 0.00 H new ATOM 883 N GLU A 59 -4.993 -0.021 -8.073 1.00 0.00 N ATOM 884 CA GLU A 59 -6.342 0.227 -7.584 1.00 0.00 C ATOM 885 C GLU A 59 -6.325 0.684 -6.129 1.00 0.00 C ATOM 886 O GLU A 59 -6.134 -0.120 -5.217 1.00 0.00 O ATOM 887 CB GLU A 59 -7.195 -1.034 -7.724 1.00 0.00 C ATOM 888 CG GLU A 59 -8.638 -0.753 -8.109 1.00 0.00 C ATOM 889 CD GLU A 59 -8.762 -0.120 -9.481 1.00 0.00 C ATOM 890 OE1 GLU A 59 -8.219 -0.691 -10.450 1.00 0.00 O ATOM 891 OE2 GLU A 59 -9.403 0.947 -9.587 1.00 0.00 O ATOM 0 H GLU A 59 -4.363 -0.432 -7.384 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.777 1.024 -8.187 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.747 -1.684 -8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.179 -1.580 -6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.203 -1.685 -8.090 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.087 -0.093 -7.366 1.00 0.00 H new ATOM 898 N LEU A 60 -6.534 1.980 -5.921 1.00 0.00 N ATOM 899 CA LEU A 60 -6.554 2.557 -4.577 1.00 0.00 C ATOM 900 C LEU A 60 -7.397 1.706 -3.631 1.00 0.00 C ATOM 901 O LEU A 60 -8.518 1.319 -3.961 1.00 0.00 O ATOM 902 CB LEU A 60 -7.102 3.985 -4.621 1.00 0.00 C ATOM 903 CG LEU A 60 -6.212 5.041 -3.963 1.00 0.00 C ATOM 904 CD1 LEU A 60 -5.821 4.610 -2.558 1.00 0.00 C ATOM 905 CD2 LEU A 60 -4.974 5.297 -4.810 1.00 0.00 C ATOM 0 H LEU A 60 -6.693 2.655 -6.669 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.530 2.578 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.262 4.264 -5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.077 3.999 -4.134 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.776 5.971 -3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.188 5.374 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.719 4.479 -1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.275 3.668 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.352 6.051 -4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.407 4.372 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.275 5.652 -5.796 1.00 0.00 H new ATOM 917 N LYS A 61 -6.845 1.408 -2.459 1.00 0.00 N ATOM 918 CA LYS A 61 -7.547 0.591 -1.477 1.00 0.00 C ATOM 919 C LYS A 61 -7.702 1.312 -0.139 1.00 0.00 C ATOM 920 O LYS A 61 -8.475 0.874 0.713 1.00 0.00 O ATOM 921 CB LYS A 61 -6.809 -0.732 -1.269 1.00 0.00 C ATOM 922 CG LYS A 61 -7.726 -1.890 -0.907 1.00 0.00 C ATOM 923 CD LYS A 61 -7.712 -2.972 -1.975 1.00 0.00 C ATOM 924 CE LYS A 61 -8.547 -2.575 -3.182 1.00 0.00 C ATOM 925 NZ LYS A 61 -9.343 -3.717 -3.709 1.00 0.00 N ATOM 0 H LYS A 61 -5.918 1.719 -2.168 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.546 0.397 -1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.264 -0.982 -2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.069 -0.605 -0.479 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.415 -2.316 0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.743 -1.521 -0.775 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.685 -3.162 -2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.095 -3.903 -1.556 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.218 -1.762 -2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.892 -2.196 -3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.898 -3.404 -4.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.702 -4.484 -3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.987 -4.063 -2.969 1.00 0.00 H new ATOM 939 N ILE A 62 -6.969 2.407 0.059 1.00 0.00 N ATOM 940 CA ILE A 62 -7.058 3.141 1.320 1.00 0.00 C ATOM 941 C ILE A 62 -6.718 4.620 1.159 1.00 0.00 C ATOM 942 O ILE A 62 -5.881 4.993 0.336 1.00 0.00 O ATOM 943 CB ILE A 62 -6.134 2.528 2.386 1.00 0.00 C ATOM 944 CG1 ILE A 62 -4.694 2.479 1.877 1.00 0.00 C ATOM 945 CG2 ILE A 62 -6.616 1.135 2.763 1.00 0.00 C ATOM 946 CD1 ILE A 62 -3.885 3.711 2.224 1.00 0.00 C ATOM 0 H ILE A 62 -6.319 2.799 -0.623 1.00 0.00 H new ATOM 0 HA ILE A 62 -8.096 3.061 1.643 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.162 3.156 3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.200 1.601 2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.704 2.355 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.953 0.713 3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.629 1.196 3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.612 0.497 1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.874 3.605 1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.355 4.591 1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.843 3.825 3.307 1.00 0.00 H new ATOM 958 N MET A 63 -7.380 5.455 1.960 1.00 0.00 N ATOM 959 CA MET A 63 -7.161 6.899 1.927 1.00 0.00 C ATOM 960 C MET A 63 -7.317 7.505 3.319 1.00 0.00 C ATOM 961 O MET A 63 -8.349 7.323 3.966 1.00 0.00 O ATOM 962 CB MET A 63 -8.151 7.555 0.966 1.00 0.00 C ATOM 963 CG MET A 63 -7.771 7.391 -0.493 1.00 0.00 C ATOM 964 SD MET A 63 -9.123 6.751 -1.502 1.00 0.00 S ATOM 965 CE MET A 63 -10.426 7.907 -1.089 1.00 0.00 C ATOM 0 H MET A 63 -8.075 5.153 2.642 1.00 0.00 H new ATOM 0 HA MET A 63 -6.144 7.082 1.582 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.140 7.127 1.127 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.222 8.618 1.198 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.452 8.354 -0.891 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.918 6.717 -0.568 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.027 8.110 -1.975 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.059 7.479 -0.311 1.00 0.00 H new ATOM 0 HE3 MET A 63 -9.987 8.837 -0.728 1.00 0.00 H new ATOM 975 N GLY A 64 -6.299 8.232 3.780 1.00 0.00 N ATOM 976 CA GLY A 64 -6.379 8.845 5.097 1.00 0.00 C ATOM 977 C GLY A 64 -5.872 7.942 6.203 1.00 0.00 C ATOM 978 O GLY A 64 -5.581 8.401 7.307 1.00 0.00 O ATOM 0 H GLY A 64 -5.431 8.406 3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.801 9.769 5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.414 9.116 5.303 1.00 0.00 H new ATOM 982 N ARG A 65 -5.771 6.655 5.903 1.00 0.00 N ATOM 983 CA ARG A 65 -5.303 5.667 6.866 1.00 0.00 C ATOM 984 C ARG A 65 -5.337 4.275 6.248 1.00 0.00 C ATOM 985 O ARG A 65 -6.410 3.722 6.005 1.00 0.00 O ATOM 986 CB ARG A 65 -6.167 5.699 8.130 1.00 0.00 C ATOM 987 CG ARG A 65 -5.782 4.649 9.161 1.00 0.00 C ATOM 988 CD ARG A 65 -4.498 5.022 9.884 1.00 0.00 C ATOM 989 NE ARG A 65 -4.287 4.209 11.079 1.00 0.00 N ATOM 990 CZ ARG A 65 -3.113 4.090 11.696 1.00 0.00 C ATOM 991 NH1 ARG A 65 -2.046 4.730 11.235 1.00 0.00 N ATOM 992 NH2 ARG A 65 -3.006 3.330 12.776 1.00 0.00 N ATOM 0 H ARG A 65 -6.010 6.267 4.990 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.276 5.910 7.139 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.093 6.687 8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.210 5.555 7.850 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.589 4.536 9.885 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.657 3.684 8.670 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.652 4.899 9.208 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.532 6.075 10.163 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.085 3.703 11.463 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.123 5.317 10.404 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.149 4.635 11.712 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.823 2.836 13.135 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.107 3.239 13.248 1.00 0.00 H new ATOM 1006 N VAL A 66 -4.162 3.716 5.983 1.00 0.00 N ATOM 1007 CA VAL A 66 -4.069 2.391 5.380 1.00 0.00 C ATOM 1008 C VAL A 66 -4.945 1.380 6.116 1.00 0.00 C ATOM 1009 O VAL A 66 -5.542 1.693 7.146 1.00 0.00 O ATOM 1010 CB VAL A 66 -2.617 1.870 5.360 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.794 2.611 4.319 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -1.984 1.992 6.739 1.00 0.00 C ATOM 0 H VAL A 66 -3.263 4.158 6.175 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.422 2.497 4.354 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.636 0.815 5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.774 2.228 4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.235 2.462 3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.783 3.675 4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.960 1.619 6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.979 3.038 7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.559 1.406 7.456 1.00 0.00 H new ATOM 1022 N ALA A 67 -5.018 0.168 5.578 1.00 0.00 N ATOM 1023 CA ALA A 67 -5.823 -0.890 6.178 1.00 0.00 C ATOM 1024 C ALA A 67 -4.988 -1.740 7.132 1.00 0.00 C ATOM 1025 O ALA A 67 -3.884 -1.355 7.518 1.00 0.00 O ATOM 1026 CB ALA A 67 -6.443 -1.758 5.093 1.00 0.00 C ATOM 0 H ALA A 67 -4.529 -0.107 4.726 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.622 -0.425 6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.041 -2.544 5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.079 -1.144 4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.653 -2.208 4.492 1.00 0.00 H new ATOM 1032 N SER A 68 -5.524 -2.898 7.507 1.00 0.00 N ATOM 1033 CA SER A 68 -4.829 -3.803 8.416 1.00 0.00 C ATOM 1034 C SER A 68 -4.440 -5.094 7.703 1.00 0.00 C ATOM 1035 O SER A 68 -4.964 -5.407 6.634 1.00 0.00 O ATOM 1036 CB SER A 68 -5.710 -4.120 9.624 1.00 0.00 C ATOM 1037 OG SER A 68 -5.662 -3.075 10.580 1.00 0.00 O ATOM 0 H SER A 68 -6.436 -3.231 7.196 1.00 0.00 H new ATOM 0 HA SER A 68 -3.920 -3.309 8.758 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.739 -4.271 9.298 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.381 -5.052 10.083 1.00 0.00 H new ATOM 0 HG SER A 68 -6.235 -3.302 11.342 1.00 0.00 H new ATOM 1043 N LYS A 69 -3.517 -5.840 8.302 1.00 0.00 N ATOM 1044 CA LYS A 69 -3.057 -7.099 7.726 1.00 0.00 C ATOM 1045 C LYS A 69 -4.226 -8.048 7.473 1.00 0.00 C ATOM 1046 O LYS A 69 -4.295 -8.697 6.430 1.00 0.00 O ATOM 1047 CB LYS A 69 -2.039 -7.766 8.654 1.00 0.00 C ATOM 1048 CG LYS A 69 -2.619 -8.170 10.000 1.00 0.00 C ATOM 1049 CD LYS A 69 -1.553 -8.751 10.915 1.00 0.00 C ATOM 1050 CE LYS A 69 -1.851 -8.459 12.377 1.00 0.00 C ATOM 1051 NZ LYS A 69 -2.279 -9.682 13.111 1.00 0.00 N ATOM 0 H LYS A 69 -3.073 -5.594 9.187 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.582 -6.877 6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.635 -8.650 8.161 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.205 -7.083 8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.075 -7.302 10.476 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.411 -8.904 9.850 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.491 -9.829 10.764 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.580 -8.336 10.651 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.963 -8.042 12.852 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.633 -7.703 12.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.473 -9.441 14.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.141 -10.066 12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.523 -10.395 13.069 1.00 0.00 H new ATOM 1065 N GLU A 70 -5.142 -8.123 8.432 1.00 0.00 N ATOM 1066 CA GLU A 70 -6.305 -8.992 8.308 1.00 0.00 C ATOM 1067 C GLU A 70 -7.215 -8.521 7.179 1.00 0.00 C ATOM 1068 O GLU A 70 -7.864 -9.328 6.513 1.00 0.00 O ATOM 1069 CB GLU A 70 -7.084 -9.029 9.624 1.00 0.00 C ATOM 1070 CG GLU A 70 -7.650 -7.680 10.035 1.00 0.00 C ATOM 1071 CD GLU A 70 -8.259 -7.702 11.423 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -8.556 -8.807 11.924 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -8.439 -6.614 12.009 1.00 0.00 O ATOM 0 H GLU A 70 -5.101 -7.593 9.303 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.954 -9.997 8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.902 -9.744 9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.428 -9.394 10.414 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.858 -6.932 10.002 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.408 -7.373 9.314 1.00 0.00 H new ATOM 1080 N GLU A 71 -7.257 -7.209 6.968 1.00 0.00 N ATOM 1081 CA GLU A 71 -8.087 -6.630 5.919 1.00 0.00 C ATOM 1082 C GLU A 71 -7.489 -6.891 4.541 1.00 0.00 C ATOM 1083 O GLU A 71 -8.185 -7.337 3.628 1.00 0.00 O ATOM 1084 CB GLU A 71 -8.247 -5.124 6.141 1.00 0.00 C ATOM 1085 CG GLU A 71 -9.134 -4.449 5.109 1.00 0.00 C ATOM 1086 CD GLU A 71 -10.509 -5.083 5.017 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -10.602 -6.231 4.536 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -11.491 -4.431 5.429 1.00 0.00 O ATOM 0 H GLU A 71 -6.726 -6.527 7.510 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.067 -7.105 5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.664 -4.954 7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.263 -4.656 6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.241 -3.394 5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.650 -4.496 4.133 1.00 0.00 H new ATOM 1095 N ILE A 72 -6.199 -6.609 4.395 1.00 0.00 N ATOM 1096 CA ILE A 72 -5.514 -6.813 3.124 1.00 0.00 C ATOM 1097 C ILE A 72 -5.518 -8.286 2.725 1.00 0.00 C ATOM 1098 O ILE A 72 -5.821 -8.627 1.582 1.00 0.00 O ATOM 1099 CB ILE A 72 -4.059 -6.298 3.177 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -3.386 -6.454 1.811 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -3.269 -7.030 4.251 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -2.124 -5.631 1.660 1.00 0.00 C ATOM 0 H ILE A 72 -5.608 -6.239 5.139 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.060 -6.241 2.374 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.079 -5.238 3.432 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.146 -7.505 1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.092 -6.167 1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.247 -6.652 4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.736 -6.866 5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.257 -8.097 4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.702 -5.791 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.361 -4.575 1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.400 -5.934 2.416 1.00 0.00 H new ATOM 1114 N LYS A 73 -5.183 -9.156 3.673 1.00 0.00 N ATOM 1115 CA LYS A 73 -5.151 -10.592 3.414 1.00 0.00 C ATOM 1116 C LYS A 73 -6.513 -11.090 2.941 1.00 0.00 C ATOM 1117 O LYS A 73 -6.600 -11.958 2.072 1.00 0.00 O ATOM 1118 CB LYS A 73 -4.724 -11.352 4.672 1.00 0.00 C ATOM 1119 CG LYS A 73 -3.676 -12.421 4.409 1.00 0.00 C ATOM 1120 CD LYS A 73 -3.223 -13.084 5.701 1.00 0.00 C ATOM 1121 CE LYS A 73 -1.733 -13.387 5.679 1.00 0.00 C ATOM 1122 NZ LYS A 73 -1.109 -13.201 7.017 1.00 0.00 N ATOM 0 H LYS A 73 -4.930 -8.893 4.626 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.423 -10.776 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.332 -10.642 5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.601 -11.817 5.121 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.084 -13.174 3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.818 -11.975 3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.450 -12.432 6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.781 -14.008 5.852 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.576 -14.413 5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.241 -12.737 4.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.093 -13.417 6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.236 -12.216 7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.561 -13.839 7.702 1.00 0.00 H new