USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -143:sc= 1.4 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 4 MET CE :methyl -169:sc= 0 (180deg=-0.117) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0575 USER MOD Single : A 8 LYS NZ :NH3+ 147:sc= 1.2 (180deg=1.09) USER MOD Single : A 10 LYS NZ :NH3+ 150:sc= 1.27 (180deg=1.02) USER MOD Single : A 11 TYR OH : rot 23:sc= 0.403 USER MOD Single : A 12 LYS NZ :NH3+ 164:sc= 1.23 (180deg=1.04) USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.08) USER MOD Single : A 17 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.4) USER MOD Single : A 21 SER OG : rot -85:sc= 1.16 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= 1.32 (180deg=1.13) USER MOD Single : A 34 HIS : no HE2:sc= -0.306 K(o=-0.31,f=-2.9!) USER MOD Single : A 37 TYR OH : rot -86:sc= 1.23 USER MOD Single : A 43 LYS NZ :NH3+ 147:sc= -0.829 (180deg=-2.06!) USER MOD Single : A 46 MET CE :methyl 164:sc= -0.355 (180deg=-0.431) USER MOD Single : A 48 MET CE :methyl 160:sc= -1.29 (180deg=-2.77!) USER MOD Single : A 50 SER OG : rot 134:sc= 1.38 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.32) USER MOD Single : A 61 MET CE :methyl 177:sc= -0.393 (180deg=-0.411) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.408 K(o=-0.41,f=-1.2) USER MOD Single : A 66 LYS NZ :NH3+ -146:sc= 1.2 (180deg=1.1) USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= 0.777 (180deg=0.77) USER MOD Single : B 12 TYR OH : rot 30:sc= 0.809 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.118 1.173 -6.489 1.00 10.00 N ATOM 2 CA GLY A 1 -19.208 2.234 -6.878 1.00 10.00 C ATOM 3 C GLY A 1 -18.773 3.076 -5.695 1.00 10.00 C ATOM 4 O GLY A 1 -19.606 3.690 -5.027 1.00 10.00 O ATOM 0 H1 GLY A 1 -20.389 0.623 -7.329 1.00 10.00 H new ATOM 0 H2 GLY A 1 -19.649 0.548 -5.802 1.00 10.00 H new ATOM 0 H3 GLY A 1 -20.969 1.586 -6.056 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -18.330 1.800 -7.356 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -19.691 2.872 -7.618 1.00 10.00 H new ATOM 8 N SER A 2 -17.476 3.095 -5.427 1.00 10.00 N ATOM 9 CA SER A 2 -16.935 3.867 -4.317 1.00 10.00 C ATOM 10 C SER A 2 -16.748 5.323 -4.722 1.00 10.00 C ATOM 11 O SER A 2 -16.566 5.635 -5.901 1.00 10.00 O ATOM 12 CB SER A 2 -15.597 3.276 -3.855 1.00 10.00 C ATOM 13 OG SER A 2 -15.043 4.026 -2.783 1.00 10.00 O ATOM 0 H SER A 2 -16.776 2.583 -5.964 1.00 10.00 H new ATOM 0 HA SER A 2 -17.644 3.821 -3.490 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.743 2.242 -3.541 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.897 3.260 -4.690 1.00 10.00 H new ATOM 0 HG SER A 2 -14.068 4.064 -2.880 1.00 10.00 H new ATOM 19 N HIS A 3 -16.813 6.210 -3.743 1.00 10.00 N ATOM 20 CA HIS A 3 -16.633 7.634 -3.983 1.00 10.00 C ATOM 21 C HIS A 3 -15.421 8.135 -3.220 1.00 10.00 C ATOM 22 O HIS A 3 -15.184 9.339 -3.116 1.00 10.00 O ATOM 23 CB HIS A 3 -17.882 8.412 -3.566 1.00 10.00 C ATOM 24 CG HIS A 3 -19.008 8.298 -4.543 1.00 10.00 C ATOM 25 ND1 HIS A 3 -18.937 8.876 -5.786 1.00 10.00 N ATOM 26 CD2 HIS A 3 -20.193 7.654 -4.419 1.00 10.00 C ATOM 27 CE1 HIS A 3 -20.074 8.577 -6.387 1.00 10.00 C ATOM 28 NE2 HIS A 3 -20.863 7.839 -5.599 1.00 10.00 N ATOM 0 H HIS A 3 -16.990 5.968 -2.768 1.00 10.00 H new ATOM 0 HA HIS A 3 -16.473 7.792 -5.049 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.217 8.052 -2.593 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -17.622 9.463 -3.444 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -20.541 7.103 -3.558 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -20.334 8.889 -7.388 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -21.789 7.481 -5.833 1.00 10.00 H new ATOM 36 N MET A 4 -14.653 7.196 -2.692 1.00 10.00 N ATOM 37 CA MET A 4 -13.459 7.522 -1.929 1.00 10.00 C ATOM 38 C MET A 4 -12.258 7.650 -2.858 1.00 10.00 C ATOM 39 O MET A 4 -12.375 7.455 -4.074 1.00 10.00 O ATOM 40 CB MET A 4 -13.188 6.446 -0.874 1.00 10.00 C ATOM 41 CG MET A 4 -14.374 6.159 0.033 1.00 10.00 C ATOM 42 SD MET A 4 -14.853 7.584 1.031 1.00 10.00 S ATOM 43 CE MET A 4 -13.516 7.637 2.223 1.00 10.00 C ATOM 0 H MET A 4 -14.837 6.196 -2.779 1.00 10.00 H new ATOM 0 HA MET A 4 -13.622 8.475 -1.426 1.00 10.00 H new ATOM 0 HB2 MET A 4 -12.896 5.524 -1.377 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.342 6.757 -0.261 1.00 10.00 H new ATOM 0 HG2 MET A 4 -15.223 5.845 -0.575 1.00 10.00 H new ATOM 0 HG3 MET A 4 -14.128 5.326 0.692 1.00 10.00 H new ATOM 0 HE1 MET A 4 -13.767 8.336 3.021 1.00 10.00 H new ATOM 0 HE2 MET A 4 -13.365 6.643 2.645 1.00 10.00 H new ATOM 0 HE3 MET A 4 -12.601 7.964 1.729 1.00 10.00 H new ATOM 53 N ALA A 5 -11.111 7.990 -2.293 1.00 10.00 N ATOM 54 CA ALA A 5 -9.896 8.133 -3.076 1.00 10.00 C ATOM 55 C ALA A 5 -9.154 6.805 -3.162 1.00 10.00 C ATOM 56 O ALA A 5 -8.891 6.161 -2.145 1.00 10.00 O ATOM 57 CB ALA A 5 -9.003 9.209 -2.476 1.00 10.00 C ATOM 0 H ALA A 5 -10.996 8.172 -1.296 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.170 8.436 -4.087 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.097 9.304 -3.074 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.535 10.161 -2.468 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.737 8.934 -1.455 1.00 10.00 H new ATOM 63 N THR A 6 -8.832 6.395 -4.376 1.00 10.00 N ATOM 64 CA THR A 6 -8.122 5.149 -4.599 1.00 10.00 C ATOM 65 C THR A 6 -6.621 5.395 -4.674 1.00 10.00 C ATOM 66 O THR A 6 -6.170 6.341 -5.324 1.00 10.00 O ATOM 67 CB THR A 6 -8.596 4.478 -5.896 1.00 10.00 C ATOM 68 OG1 THR A 6 -9.322 5.426 -6.693 1.00 10.00 O ATOM 69 CG2 THR A 6 -9.481 3.279 -5.585 1.00 10.00 C ATOM 0 H THR A 6 -9.053 6.911 -5.228 1.00 10.00 H new ATOM 0 HA THR A 6 -8.335 4.488 -3.759 1.00 10.00 H new ATOM 0 HB THR A 6 -7.724 4.131 -6.450 1.00 10.00 H new ATOM 0 HG1 THR A 6 -9.622 4.996 -7.521 1.00 10.00 H new ATOM 0 HG21 THR A 6 -9.807 2.816 -6.516 1.00 10.00 H new ATOM 0 HG22 THR A 6 -8.918 2.554 -4.997 1.00 10.00 H new ATOM 0 HG23 THR A 6 -10.352 3.607 -5.018 1.00 10.00 H new ATOM 77 N VAL A 7 -5.852 4.558 -3.994 1.00 10.00 N ATOM 78 CA VAL A 7 -4.406 4.696 -3.988 1.00 10.00 C ATOM 79 C VAL A 7 -3.761 3.587 -4.810 1.00 10.00 C ATOM 80 O VAL A 7 -4.007 2.404 -4.574 1.00 10.00 O ATOM 81 CB VAL A 7 -3.836 4.658 -2.552 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.374 5.077 -2.540 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.653 5.543 -1.624 1.00 10.00 C ATOM 0 H VAL A 7 -6.206 3.778 -3.440 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.173 5.665 -4.429 1.00 10.00 H new ATOM 0 HB VAL A 7 -3.900 3.632 -2.190 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -1.994 5.043 -1.519 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -1.796 4.397 -3.165 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.283 6.092 -2.927 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.234 5.501 -0.619 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -4.627 6.571 -1.985 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.685 5.192 -1.602 1.00 10.00 H new ATOM 93 N LYS A 8 -2.956 3.975 -5.790 1.00 10.00 N ATOM 94 CA LYS A 8 -2.273 3.010 -6.633 1.00 10.00 C ATOM 95 C LYS A 8 -0.980 2.564 -5.967 1.00 10.00 C ATOM 96 O LYS A 8 -0.242 3.381 -5.415 1.00 10.00 O ATOM 97 CB LYS A 8 -1.985 3.602 -8.014 1.00 10.00 C ATOM 98 CG LYS A 8 -3.223 3.735 -8.882 1.00 10.00 C ATOM 99 CD LYS A 8 -2.865 3.805 -10.357 1.00 10.00 C ATOM 100 CE LYS A 8 -4.098 3.672 -11.236 1.00 10.00 C ATOM 101 NZ LYS A 8 -3.749 3.483 -12.670 1.00 10.00 N ATOM 0 H LYS A 8 -2.762 4.950 -6.019 1.00 10.00 H new ATOM 0 HA LYS A 8 -2.921 2.144 -6.765 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -1.528 4.584 -7.892 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.257 2.973 -8.526 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -3.884 2.886 -8.707 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -3.773 4.632 -8.597 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -2.367 4.752 -10.567 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -2.157 3.012 -10.599 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -4.696 2.827 -10.895 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -4.716 4.563 -11.129 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -4.461 2.875 -13.123 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -3.729 4.407 -13.147 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -2.813 3.035 -12.743 1.00 10.00 H new ATOM 115 N PHE A 9 -0.715 1.274 -6.010 1.00 10.00 N ATOM 116 CA PHE A 9 0.477 0.718 -5.401 1.00 10.00 C ATOM 117 C PHE A 9 1.262 -0.120 -6.396 1.00 10.00 C ATOM 118 O PHE A 9 0.779 -1.146 -6.874 1.00 10.00 O ATOM 119 CB PHE A 9 0.104 -0.147 -4.197 1.00 10.00 C ATOM 120 CG PHE A 9 -0.443 0.631 -3.035 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.788 0.557 -2.705 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.391 1.424 -2.265 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.291 1.262 -1.630 1.00 10.00 C ATOM 124 CE2 PHE A 9 -0.108 2.131 -1.189 1.00 10.00 C ATOM 125 CZ PHE A 9 -1.450 2.048 -0.870 1.00 10.00 C ATOM 0 H PHE A 9 -1.315 0.586 -6.465 1.00 10.00 H new ATOM 0 HA PHE A 9 1.101 1.550 -5.075 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.635 -0.885 -4.508 1.00 10.00 H new ATOM 0 HB3 PHE A 9 0.986 -0.697 -3.870 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.449 -0.059 -3.296 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.441 1.490 -2.508 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.341 1.198 -1.385 1.00 10.00 H new ATOM 0 HE2 PHE A 9 0.551 2.749 -0.597 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.840 2.598 -0.026 1.00 10.00 H new ATOM 135 N LYS A 10 2.461 0.326 -6.716 1.00 10.00 N ATOM 136 CA LYS A 10 3.317 -0.404 -7.632 1.00 10.00 C ATOM 137 C LYS A 10 4.227 -1.319 -6.829 1.00 10.00 C ATOM 138 O LYS A 10 5.213 -0.869 -6.245 1.00 10.00 O ATOM 139 CB LYS A 10 4.144 0.561 -8.482 1.00 10.00 C ATOM 140 CG LYS A 10 5.054 -0.129 -9.480 1.00 10.00 C ATOM 141 CD LYS A 10 5.993 0.861 -10.143 1.00 10.00 C ATOM 142 CE LYS A 10 7.064 0.154 -10.954 1.00 10.00 C ATOM 143 NZ LYS A 10 8.155 1.079 -11.349 1.00 10.00 N ATOM 0 H LYS A 10 2.865 1.190 -6.356 1.00 10.00 H new ATOM 0 HA LYS A 10 2.702 -0.999 -8.307 1.00 10.00 H new ATOM 0 HB2 LYS A 10 3.469 1.227 -9.020 1.00 10.00 H new ATOM 0 HB3 LYS A 10 4.749 1.184 -7.823 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.634 -0.901 -8.974 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.453 -0.628 -10.240 1.00 10.00 H new ATOM 0 HD2 LYS A 10 5.423 1.526 -10.792 1.00 10.00 H new ATOM 0 HD3 LYS A 10 6.463 1.484 -9.382 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.478 -0.669 -10.371 1.00 10.00 H new ATOM 0 HE3 LYS A 10 6.616 -0.282 -11.847 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 9.047 0.550 -11.427 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 7.928 1.512 -12.267 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 8.256 1.824 -10.630 1.00 10.00 H new ATOM 157 N TYR A 11 3.882 -2.594 -6.781 1.00 10.00 N ATOM 158 CA TYR A 11 4.657 -3.556 -6.021 1.00 10.00 C ATOM 159 C TYR A 11 4.745 -4.883 -6.771 1.00 10.00 C ATOM 160 O TYR A 11 3.779 -5.312 -7.405 1.00 10.00 O ATOM 161 CB TYR A 11 4.046 -3.719 -4.612 1.00 10.00 C ATOM 162 CG TYR A 11 3.574 -5.115 -4.254 1.00 10.00 C ATOM 163 CD1 TYR A 11 4.480 -6.115 -3.938 1.00 10.00 C ATOM 164 CD2 TYR A 11 2.219 -5.426 -4.222 1.00 10.00 C ATOM 165 CE1 TYR A 11 4.056 -7.382 -3.607 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.788 -6.700 -3.889 1.00 10.00 C ATOM 167 CZ TYR A 11 2.711 -7.675 -3.582 1.00 10.00 C ATOM 168 OH TYR A 11 2.290 -8.947 -3.254 1.00 10.00 O ATOM 0 H TYR A 11 3.071 -2.986 -7.259 1.00 10.00 H new ATOM 0 HA TYR A 11 5.677 -3.192 -5.901 1.00 10.00 H new ATOM 0 HB2 TYR A 11 4.788 -3.407 -3.877 1.00 10.00 H new ATOM 0 HB3 TYR A 11 3.201 -3.036 -4.522 1.00 10.00 H new ATOM 0 HD1 TYR A 11 5.538 -5.896 -3.952 1.00 10.00 H new ATOM 0 HD2 TYR A 11 1.492 -4.664 -4.460 1.00 10.00 H new ATOM 0 HE1 TYR A 11 4.779 -8.147 -3.367 1.00 10.00 H new ATOM 0 HE2 TYR A 11 0.732 -6.928 -3.870 1.00 10.00 H new ATOM 0 HH TYR A 11 2.986 -9.397 -2.731 1.00 10.00 H new ATOM 178 N LYS A 12 5.925 -5.507 -6.716 1.00 10.00 N ATOM 179 CA LYS A 12 6.184 -6.783 -7.385 1.00 10.00 C ATOM 180 C LYS A 12 6.120 -6.608 -8.903 1.00 10.00 C ATOM 181 O LYS A 12 6.000 -7.577 -9.653 1.00 10.00 O ATOM 182 CB LYS A 12 5.184 -7.857 -6.927 1.00 10.00 C ATOM 183 CG LYS A 12 5.703 -9.281 -7.076 1.00 10.00 C ATOM 184 CD LYS A 12 6.170 -9.864 -5.748 1.00 10.00 C ATOM 185 CE LYS A 12 7.342 -9.086 -5.167 1.00 10.00 C ATOM 186 NZ LYS A 12 8.010 -9.824 -4.062 1.00 10.00 N ATOM 0 H LYS A 12 6.728 -5.140 -6.205 1.00 10.00 H new ATOM 0 HA LYS A 12 7.186 -7.114 -7.111 1.00 10.00 H new ATOM 0 HB2 LYS A 12 4.928 -7.681 -5.882 1.00 10.00 H new ATOM 0 HB3 LYS A 12 4.264 -7.753 -7.502 1.00 10.00 H new ATOM 0 HG2 LYS A 12 4.917 -9.911 -7.491 1.00 10.00 H new ATOM 0 HG3 LYS A 12 6.529 -9.292 -7.787 1.00 10.00 H new ATOM 0 HD2 LYS A 12 5.343 -9.858 -5.038 1.00 10.00 H new ATOM 0 HD3 LYS A 12 6.460 -10.905 -5.891 1.00 10.00 H new ATOM 0 HE2 LYS A 12 8.066 -8.880 -5.955 1.00 10.00 H new ATOM 0 HE3 LYS A 12 6.990 -8.123 -4.798 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 8.943 -9.404 -3.878 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 7.428 -9.764 -3.202 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 8.127 -10.822 -4.332 1.00 10.00 H new ATOM 200 N GLY A 13 6.222 -5.363 -9.350 1.00 10.00 N ATOM 201 CA GLY A 13 6.155 -5.068 -10.767 1.00 10.00 C ATOM 202 C GLY A 13 4.723 -5.031 -11.256 1.00 10.00 C ATOM 203 O GLY A 13 4.464 -4.929 -12.454 1.00 10.00 O ATOM 0 H GLY A 13 6.351 -4.547 -8.751 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.633 -4.108 -10.963 1.00 10.00 H new ATOM 0 HA3 GLY A 13 6.712 -5.822 -11.324 1.00 10.00 H new ATOM 207 N GLU A 14 3.795 -5.118 -10.317 1.00 10.00 N ATOM 208 CA GLU A 14 2.379 -5.105 -10.627 1.00 10.00 C ATOM 209 C GLU A 14 1.728 -3.856 -10.046 1.00 10.00 C ATOM 210 O GLU A 14 2.067 -3.422 -8.944 1.00 10.00 O ATOM 211 CB GLU A 14 1.713 -6.361 -10.054 1.00 10.00 C ATOM 212 CG GLU A 14 0.233 -6.486 -10.379 1.00 10.00 C ATOM 213 CD GLU A 14 -0.370 -7.756 -9.823 1.00 10.00 C ATOM 214 OE1 GLU A 14 0.252 -8.828 -9.969 1.00 10.00 O ATOM 215 OE2 GLU A 14 -1.472 -7.698 -9.236 1.00 10.00 O ATOM 0 H GLU A 14 4.004 -5.199 -9.322 1.00 10.00 H new ATOM 0 HA GLU A 14 2.251 -5.095 -11.709 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.233 -7.240 -10.435 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.837 -6.362 -8.971 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -0.300 -5.626 -9.974 1.00 10.00 H new ATOM 0 HG3 GLU A 14 0.097 -6.465 -11.460 1.00 10.00 H new ATOM 222 N GLU A 15 0.814 -3.272 -10.797 1.00 10.00 N ATOM 223 CA GLU A 15 0.113 -2.087 -10.346 1.00 10.00 C ATOM 224 C GLU A 15 -1.190 -2.483 -9.669 1.00 10.00 C ATOM 225 O GLU A 15 -2.088 -3.043 -10.302 1.00 10.00 O ATOM 226 CB GLU A 15 -0.164 -1.146 -11.518 1.00 10.00 C ATOM 227 CG GLU A 15 -1.023 0.054 -11.151 1.00 10.00 C ATOM 228 CD GLU A 15 -2.034 0.399 -12.226 1.00 10.00 C ATOM 229 OE1 GLU A 15 -1.969 1.517 -12.772 1.00 10.00 O ATOM 230 OE2 GLU A 15 -2.898 -0.449 -12.530 1.00 10.00 O ATOM 0 H GLU A 15 0.540 -3.600 -11.723 1.00 10.00 H new ATOM 0 HA GLU A 15 0.742 -1.562 -9.627 1.00 10.00 H new ATOM 0 HB2 GLU A 15 0.785 -0.792 -11.920 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -0.658 -1.706 -12.312 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -1.547 -0.151 -10.217 1.00 10.00 H new ATOM 0 HG3 GLU A 15 -0.380 0.916 -10.973 1.00 10.00 H new ATOM 237 N LYS A 16 -1.277 -2.219 -8.381 1.00 10.00 N ATOM 238 CA LYS A 16 -2.472 -2.525 -7.621 1.00 10.00 C ATOM 239 C LYS A 16 -3.176 -1.228 -7.250 1.00 10.00 C ATOM 240 O LYS A 16 -2.565 -0.160 -7.276 1.00 10.00 O ATOM 241 CB LYS A 16 -2.121 -3.335 -6.371 1.00 10.00 C ATOM 242 CG LYS A 16 -1.588 -4.723 -6.690 1.00 10.00 C ATOM 243 CD LYS A 16 -1.647 -5.651 -5.486 1.00 10.00 C ATOM 244 CE LYS A 16 -1.265 -7.075 -5.868 1.00 10.00 C ATOM 245 NZ LYS A 16 -2.199 -8.077 -5.293 1.00 10.00 N ATOM 0 H LYS A 16 -0.529 -1.790 -7.836 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.143 -3.131 -8.229 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -1.376 -2.791 -5.790 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -3.008 -3.428 -5.745 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -2.166 -5.154 -7.507 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.557 -4.644 -7.036 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -0.974 -5.287 -4.710 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -2.653 -5.642 -5.066 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.257 -7.169 -6.954 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -0.252 -7.283 -5.522 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -1.789 -9.028 -5.387 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -2.358 -7.866 -4.287 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.105 -8.039 -5.802 1.00 10.00 H new ATOM 259 N GLN A 17 -4.451 -1.312 -6.923 1.00 10.00 N ATOM 260 CA GLN A 17 -5.219 -0.132 -6.566 1.00 10.00 C ATOM 261 C GLN A 17 -6.134 -0.431 -5.387 1.00 10.00 C ATOM 262 O GLN A 17 -7.110 -1.171 -5.508 1.00 10.00 O ATOM 263 CB GLN A 17 -6.028 0.359 -7.771 1.00 10.00 C ATOM 264 CG GLN A 17 -6.636 1.740 -7.581 1.00 10.00 C ATOM 265 CD GLN A 17 -6.760 2.513 -8.881 1.00 10.00 C ATOM 266 OE1 GLN A 17 -6.691 3.741 -8.890 1.00 10.00 O ATOM 267 NE2 GLN A 17 -6.921 1.803 -9.988 1.00 10.00 N ATOM 0 H GLN A 17 -4.978 -2.185 -6.897 1.00 10.00 H new ATOM 0 HA GLN A 17 -4.529 0.659 -6.270 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -5.382 0.374 -8.649 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -6.826 -0.354 -7.976 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -7.623 1.638 -7.129 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -6.022 2.309 -6.883 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -6.974 0.786 -9.938 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -6.992 2.274 -10.890 1.00 10.00 H new ATOM 276 N VAL A 18 -5.809 0.141 -4.242 1.00 10.00 N ATOM 277 CA VAL A 18 -6.589 -0.078 -3.037 1.00 10.00 C ATOM 278 C VAL A 18 -7.310 1.194 -2.613 1.00 10.00 C ATOM 279 O VAL A 18 -6.733 2.282 -2.637 1.00 10.00 O ATOM 280 CB VAL A 18 -5.700 -0.571 -1.876 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.536 -0.883 -0.642 1.00 10.00 C ATOM 282 CG2 VAL A 18 -4.895 -1.790 -2.298 1.00 10.00 C ATOM 0 H VAL A 18 -5.009 0.762 -4.121 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.326 -0.847 -3.269 1.00 10.00 H new ATOM 0 HB VAL A 18 -5.006 0.230 -1.620 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -5.885 -1.228 0.161 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -7.061 0.017 -0.322 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -7.261 -1.661 -0.881 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.275 -2.122 -1.466 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.574 -2.592 -2.587 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.258 -1.531 -3.144 1.00 10.00 H new ATOM 292 N ASP A 19 -8.576 1.053 -2.250 1.00 10.00 N ATOM 293 CA ASP A 19 -9.381 2.182 -1.802 1.00 10.00 C ATOM 294 C ASP A 19 -8.934 2.613 -0.410 1.00 10.00 C ATOM 295 O ASP A 19 -8.548 1.775 0.410 1.00 10.00 O ATOM 296 CB ASP A 19 -10.864 1.795 -1.785 1.00 10.00 C ATOM 297 CG ASP A 19 -11.790 2.986 -1.632 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.829 3.574 -0.529 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.495 3.318 -2.606 1.00 10.00 O ATOM 0 H ASP A 19 -9.072 0.162 -2.257 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.245 3.015 -2.492 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.107 1.271 -2.709 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -11.042 1.097 -0.967 1.00 10.00 H new ATOM 304 N ILE A 20 -8.994 3.911 -0.144 1.00 10.00 N ATOM 305 CA ILE A 20 -8.589 4.460 1.146 1.00 10.00 C ATOM 306 C ILE A 20 -9.393 3.854 2.299 1.00 10.00 C ATOM 307 O ILE A 20 -8.887 3.726 3.414 1.00 10.00 O ATOM 308 CB ILE A 20 -8.732 6.003 1.168 1.00 10.00 C ATOM 309 CG1 ILE A 20 -8.244 6.573 2.505 1.00 10.00 C ATOM 310 CG2 ILE A 20 -10.174 6.409 0.911 1.00 10.00 C ATOM 311 CD1 ILE A 20 -8.425 8.072 2.638 1.00 10.00 C ATOM 0 H ILE A 20 -9.322 4.610 -0.810 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.540 4.198 1.283 1.00 10.00 H new ATOM 0 HB ILE A 20 -8.111 6.415 0.373 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -8.779 6.079 3.316 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -7.188 6.332 2.627 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -10.255 7.496 0.930 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -10.488 6.039 -0.065 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -10.815 5.984 1.683 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -8.056 8.398 3.610 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -7.867 8.577 1.850 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -9.483 8.320 2.549 1.00 10.00 H new ATOM 323 N SER A 21 -10.635 3.461 2.029 1.00 10.00 N ATOM 324 CA SER A 21 -11.486 2.883 3.060 1.00 10.00 C ATOM 325 C SER A 21 -11.055 1.457 3.393 1.00 10.00 C ATOM 326 O SER A 21 -11.343 0.947 4.478 1.00 10.00 O ATOM 327 CB SER A 21 -12.953 2.912 2.623 1.00 10.00 C ATOM 328 OG SER A 21 -13.119 2.352 1.330 1.00 10.00 O ATOM 0 H SER A 21 -11.071 3.532 1.110 1.00 10.00 H new ATOM 0 HA SER A 21 -11.379 3.486 3.962 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.559 2.360 3.341 1.00 10.00 H new ATOM 0 HB3 SER A 21 -13.315 3.940 2.625 1.00 10.00 H new ATOM 0 HG SER A 21 -12.945 3.038 0.652 1.00 10.00 H new ATOM 334 N LYS A 22 -10.348 0.823 2.468 1.00 10.00 N ATOM 335 CA LYS A 22 -9.883 -0.542 2.672 1.00 10.00 C ATOM 336 C LYS A 22 -8.573 -0.561 3.452 1.00 10.00 C ATOM 337 O LYS A 22 -8.294 -1.509 4.184 1.00 10.00 O ATOM 338 CB LYS A 22 -9.704 -1.256 1.329 1.00 10.00 C ATOM 339 CG LYS A 22 -11.007 -1.493 0.581 1.00 10.00 C ATOM 340 CD LYS A 22 -10.763 -2.157 -0.765 1.00 10.00 C ATOM 341 CE LYS A 22 -12.067 -2.468 -1.486 1.00 10.00 C ATOM 342 NZ LYS A 22 -11.835 -3.190 -2.763 1.00 10.00 N ATOM 0 H LYS A 22 -10.084 1.231 1.571 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.639 -1.070 3.254 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -9.037 -0.666 0.700 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.215 -2.215 1.500 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -11.665 -2.120 1.183 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.520 -0.543 0.432 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -10.151 -1.504 -1.387 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -10.200 -3.079 -0.619 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -12.705 -3.070 -0.839 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -12.602 -1.539 -1.686 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -12.747 -3.383 -3.223 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -11.247 -2.605 -3.391 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -11.347 -4.088 -2.570 1.00 10.00 H new ATOM 356 N ILE A 23 -7.776 0.489 3.290 1.00 10.00 N ATOM 357 CA ILE A 23 -6.495 0.589 3.977 1.00 10.00 C ATOM 358 C ILE A 23 -6.696 0.698 5.484 1.00 10.00 C ATOM 359 O ILE A 23 -7.345 1.628 5.969 1.00 10.00 O ATOM 360 CB ILE A 23 -5.681 1.804 3.481 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.512 1.749 1.961 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.321 1.841 4.163 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.833 2.969 1.372 1.00 10.00 C ATOM 0 H ILE A 23 -7.995 1.283 2.688 1.00 10.00 H new ATOM 0 HA ILE A 23 -5.938 -0.320 3.751 1.00 10.00 H new ATOM 0 HB ILE A 23 -6.224 2.714 3.736 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -4.933 0.863 1.702 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.493 1.634 1.500 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.757 2.702 3.804 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.457 1.920 5.242 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.773 0.927 3.932 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.751 2.853 0.291 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.422 3.858 1.598 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.837 3.075 1.802 1.00 10.00 H new ATOM 375 N LEU A 24 -6.132 -0.251 6.218 1.00 10.00 N ATOM 376 CA LEU A 24 -6.255 -0.275 7.668 1.00 10.00 C ATOM 377 C LEU A 24 -5.108 0.489 8.322 1.00 10.00 C ATOM 378 O LEU A 24 -5.331 1.423 9.094 1.00 10.00 O ATOM 379 CB LEU A 24 -6.274 -1.722 8.173 1.00 10.00 C ATOM 380 CG LEU A 24 -7.420 -2.587 7.643 1.00 10.00 C ATOM 381 CD1 LEU A 24 -7.181 -4.048 7.987 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.753 -2.121 8.214 1.00 10.00 C ATOM 0 H LEU A 24 -5.582 -1.018 5.830 1.00 10.00 H new ATOM 0 HA LEU A 24 -7.193 0.211 7.939 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -5.330 -2.195 7.904 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -6.325 -1.708 9.262 1.00 10.00 H new ATOM 0 HG LEU A 24 -7.455 -2.484 6.558 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -8.004 -4.651 7.604 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -6.246 -4.380 7.535 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -7.121 -4.162 9.069 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -9.555 -2.749 7.825 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.729 -2.195 9.301 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.930 -1.085 7.925 1.00 10.00 H new ATOM 394 N SER A 25 -3.883 0.093 8.002 1.00 10.00 N ATOM 395 CA SER A 25 -2.707 0.730 8.571 1.00 10.00 C ATOM 396 C SER A 25 -1.527 0.692 7.603 1.00 10.00 C ATOM 397 O SER A 25 -1.313 -0.300 6.903 1.00 10.00 O ATOM 398 CB SER A 25 -2.332 0.041 9.885 1.00 10.00 C ATOM 399 OG SER A 25 -2.679 -1.335 9.860 1.00 10.00 O ATOM 0 H SER A 25 -3.680 -0.666 7.352 1.00 10.00 H new ATOM 0 HA SER A 25 -2.946 1.776 8.762 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.261 0.146 10.061 1.00 10.00 H new ATOM 0 HB3 SER A 25 -2.841 0.532 10.714 1.00 10.00 H new ATOM 0 HG SER A 25 -2.427 -1.751 10.711 1.00 10.00 H new ATOM 405 N VAL A 26 -0.778 1.786 7.553 1.00 10.00 N ATOM 406 CA VAL A 26 0.391 1.879 6.691 1.00 10.00 C ATOM 407 C VAL A 26 1.650 2.031 7.537 1.00 10.00 C ATOM 408 O VAL A 26 1.668 2.808 8.491 1.00 10.00 O ATOM 409 CB VAL A 26 0.287 3.078 5.717 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.455 3.088 4.742 1.00 10.00 C ATOM 411 CG2 VAL A 26 -1.036 3.049 4.962 1.00 10.00 C ATOM 0 H VAL A 26 -0.962 2.625 8.103 1.00 10.00 H new ATOM 0 HA VAL A 26 0.441 0.962 6.104 1.00 10.00 H new ATOM 0 HB VAL A 26 0.326 3.994 6.307 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.359 3.940 4.068 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.391 3.167 5.296 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.453 2.165 4.162 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.087 3.901 4.284 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.108 2.124 4.389 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.861 3.101 5.672 1.00 10.00 H new ATOM 421 N GLY A 27 2.690 1.280 7.202 1.00 10.00 N ATOM 422 CA GLY A 27 3.934 1.354 7.943 1.00 10.00 C ATOM 423 C GLY A 27 5.122 1.576 7.034 1.00 10.00 C ATOM 424 O GLY A 27 5.202 0.999 5.949 1.00 10.00 O ATOM 0 H GLY A 27 2.694 0.618 6.426 1.00 10.00 H new ATOM 0 HA2 GLY A 27 3.876 2.165 8.669 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.076 0.432 8.506 1.00 10.00 H new ATOM 428 N ARG A 28 6.053 2.405 7.470 1.00 10.00 N ATOM 429 CA ARG A 28 7.227 2.702 6.670 1.00 10.00 C ATOM 430 C ARG A 28 8.448 1.943 7.179 1.00 10.00 C ATOM 431 O ARG A 28 9.024 2.290 8.210 1.00 10.00 O ATOM 432 CB ARG A 28 7.514 4.202 6.679 1.00 10.00 C ATOM 433 CG ARG A 28 8.526 4.619 5.633 1.00 10.00 C ATOM 434 CD ARG A 28 9.423 5.740 6.128 1.00 10.00 C ATOM 435 NE ARG A 28 10.446 6.073 5.145 1.00 10.00 N ATOM 436 CZ ARG A 28 11.739 6.216 5.421 1.00 10.00 C ATOM 437 NH1 ARG A 28 12.193 6.063 6.666 1.00 10.00 N ATOM 438 NH2 ARG A 28 12.589 6.486 4.442 1.00 10.00 N ATOM 0 H ARG A 28 6.019 2.883 8.370 1.00 10.00 H new ATOM 0 HA ARG A 28 7.021 2.381 5.649 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.584 4.745 6.513 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.879 4.490 7.665 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.137 3.760 5.357 1.00 10.00 H new ATOM 0 HG3 ARG A 28 8.005 4.942 4.732 1.00 10.00 H new ATOM 0 HD2 ARG A 28 8.821 6.623 6.342 1.00 10.00 H new ATOM 0 HD3 ARG A 28 9.897 5.443 7.063 1.00 10.00 H new ATOM 0 HE ARG A 28 10.150 6.206 4.178 1.00 10.00 H new ATOM 0 HH11 ARG A 28 11.546 5.833 7.420 1.00 10.00 H new ATOM 0 HH12 ARG A 28 13.187 6.176 6.864 1.00 10.00 H new ATOM 0 HH21 ARG A 28 12.250 6.583 3.485 1.00 10.00 H new ATOM 0 HH22 ARG A 28 13.582 6.597 4.645 1.00 10.00 H new ATOM 452 N TYR A 29 8.851 0.920 6.442 1.00 10.00 N ATOM 453 CA TYR A 29 10.007 0.119 6.814 1.00 10.00 C ATOM 454 C TYR A 29 11.226 0.581 6.022 1.00 10.00 C ATOM 455 O TYR A 29 11.940 -0.217 5.410 1.00 10.00 O ATOM 456 CB TYR A 29 9.727 -1.363 6.555 1.00 10.00 C ATOM 457 CG TYR A 29 10.524 -2.296 7.437 1.00 10.00 C ATOM 458 CD1 TYR A 29 10.141 -2.533 8.751 1.00 10.00 C ATOM 459 CD2 TYR A 29 11.660 -2.939 6.960 1.00 10.00 C ATOM 460 CE1 TYR A 29 10.865 -3.384 9.562 1.00 10.00 C ATOM 461 CE2 TYR A 29 12.389 -3.791 7.765 1.00 10.00 C ATOM 462 CZ TYR A 29 11.988 -4.009 9.064 1.00 10.00 C ATOM 463 OH TYR A 29 12.716 -4.856 9.866 1.00 10.00 O ATOM 0 H TYR A 29 8.393 0.624 5.580 1.00 10.00 H new ATOM 0 HA TYR A 29 10.208 0.248 7.877 1.00 10.00 H new ATOM 0 HB2 TYR A 29 8.665 -1.554 6.706 1.00 10.00 H new ATOM 0 HB3 TYR A 29 9.947 -1.588 5.511 1.00 10.00 H new ATOM 0 HD1 TYR A 29 9.262 -2.044 9.145 1.00 10.00 H new ATOM 0 HD2 TYR A 29 11.978 -2.769 5.942 1.00 10.00 H new ATOM 0 HE1 TYR A 29 10.553 -3.559 10.581 1.00 10.00 H new ATOM 0 HE2 TYR A 29 13.269 -4.284 7.378 1.00 10.00 H new ATOM 0 HH TYR A 29 13.475 -5.214 9.360 1.00 10.00 H new ATOM 473 N GLY A 30 11.458 1.886 6.043 1.00 10.00 N ATOM 474 CA GLY A 30 12.568 2.457 5.312 1.00 10.00 C ATOM 475 C GLY A 30 12.141 2.878 3.925 1.00 10.00 C ATOM 476 O GLY A 30 11.114 3.529 3.764 1.00 10.00 O ATOM 0 H GLY A 30 10.893 2.562 6.557 1.00 10.00 H new ATOM 0 HA2 GLY A 30 12.960 3.318 5.853 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.376 1.729 5.243 1.00 10.00 H new ATOM 480 N LYS A 31 12.903 2.482 2.920 1.00 10.00 N ATOM 481 CA LYS A 31 12.581 2.827 1.541 1.00 10.00 C ATOM 482 C LYS A 31 11.483 1.918 0.993 1.00 10.00 C ATOM 483 O LYS A 31 11.050 2.065 -0.154 1.00 10.00 O ATOM 484 CB LYS A 31 13.830 2.744 0.666 1.00 10.00 C ATOM 485 CG LYS A 31 14.682 4.000 0.709 1.00 10.00 C ATOM 486 CD LYS A 31 14.001 5.154 -0.008 1.00 10.00 C ATOM 487 CE LYS A 31 14.648 6.487 0.330 1.00 10.00 C ATOM 488 NZ LYS A 31 13.642 7.565 0.514 1.00 10.00 N ATOM 0 H LYS A 31 13.748 1.922 3.030 1.00 10.00 H new ATOM 0 HA LYS A 31 12.211 3.852 1.524 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.433 1.894 0.986 1.00 10.00 H new ATOM 0 HB3 LYS A 31 13.530 2.552 -0.364 1.00 10.00 H new ATOM 0 HG2 LYS A 31 14.875 4.276 1.746 1.00 10.00 H new ATOM 0 HG3 LYS A 31 15.649 3.802 0.247 1.00 10.00 H new ATOM 0 HD2 LYS A 31 14.046 4.991 -1.085 1.00 10.00 H new ATOM 0 HD3 LYS A 31 12.947 5.181 0.267 1.00 10.00 H new ATOM 0 HE2 LYS A 31 15.238 6.383 1.241 1.00 10.00 H new ATOM 0 HE3 LYS A 31 15.338 6.767 -0.466 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 14.109 8.415 0.890 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 13.201 7.788 -0.401 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 12.911 7.247 1.182 1.00 10.00 H new ATOM 502 N LEU A 32 11.046 0.984 1.825 1.00 10.00 N ATOM 503 CA LEU A 32 9.988 0.053 1.469 1.00 10.00 C ATOM 504 C LEU A 32 8.795 0.269 2.399 1.00 10.00 C ATOM 505 O LEU A 32 8.897 0.061 3.610 1.00 10.00 O ATOM 506 CB LEU A 32 10.486 -1.395 1.568 1.00 10.00 C ATOM 507 CG LEU A 32 11.216 -1.944 0.332 1.00 10.00 C ATOM 508 CD1 LEU A 32 11.582 -3.403 0.540 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.364 -1.779 -0.921 1.00 10.00 C ATOM 0 H LEU A 32 11.416 0.851 2.766 1.00 10.00 H new ATOM 0 HA LEU A 32 9.683 0.235 0.438 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.157 -1.470 2.424 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.631 -2.039 1.776 1.00 10.00 H new ATOM 0 HG LEU A 32 12.133 -1.371 0.194 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.098 -3.778 -0.344 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.235 -3.494 1.408 1.00 10.00 H new ATOM 0 HD13 LEU A 32 10.676 -3.986 0.705 1.00 10.00 H new ATOM 0 HD21 LEU A 32 10.903 -2.175 -1.782 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.427 -2.322 -0.798 1.00 10.00 H new ATOM 0 HD23 LEU A 32 10.152 -0.722 -1.080 1.00 10.00 H new ATOM 521 N ILE A 33 7.677 0.701 1.839 1.00 10.00 N ATOM 522 CA ILE A 33 6.480 0.964 2.625 1.00 10.00 C ATOM 523 C ILE A 33 5.516 -0.215 2.568 1.00 10.00 C ATOM 524 O ILE A 33 4.996 -0.554 1.507 1.00 10.00 O ATOM 525 CB ILE A 33 5.754 2.238 2.138 1.00 10.00 C ATOM 526 CG1 ILE A 33 6.710 3.432 2.142 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.538 2.527 3.008 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.125 4.677 1.509 1.00 10.00 C ATOM 0 H ILE A 33 7.572 0.878 0.840 1.00 10.00 H new ATOM 0 HA ILE A 33 6.803 1.114 3.655 1.00 10.00 H new ATOM 0 HB ILE A 33 5.413 2.070 1.116 1.00 10.00 H new ATOM 0 HG12 ILE A 33 6.994 3.656 3.170 1.00 10.00 H new ATOM 0 HG13 ILE A 33 7.622 3.159 1.611 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.040 3.428 2.649 1.00 10.00 H new ATOM 0 HG22 ILE A 33 3.847 1.686 2.958 1.00 10.00 H new ATOM 0 HG23 ILE A 33 4.856 2.675 4.040 1.00 10.00 H new ATOM 0 HD11 ILE A 33 6.858 5.483 1.547 1.00 10.00 H new ATOM 0 HD12 ILE A 33 5.867 4.470 0.471 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.229 4.975 2.053 1.00 10.00 H new ATOM 540 N HIS A 34 5.279 -0.826 3.718 1.00 10.00 N ATOM 541 CA HIS A 34 4.375 -1.962 3.811 1.00 10.00 C ATOM 542 C HIS A 34 3.011 -1.491 4.308 1.00 10.00 C ATOM 543 O HIS A 34 2.908 -0.841 5.349 1.00 10.00 O ATOM 544 CB HIS A 34 4.954 -3.035 4.747 1.00 10.00 C ATOM 545 CG HIS A 34 4.038 -4.206 4.980 1.00 10.00 C ATOM 546 ND1 HIS A 34 3.883 -5.261 4.104 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.231 -4.481 6.037 1.00 10.00 C ATOM 548 CE1 HIS A 34 3.006 -6.116 4.638 1.00 10.00 C ATOM 549 NE2 HIS A 34 2.580 -5.692 5.813 1.00 10.00 N ATOM 0 H HIS A 34 5.703 -0.552 4.605 1.00 10.00 H new ATOM 0 HA HIS A 34 4.257 -2.406 2.823 1.00 10.00 H new ATOM 0 HB2 HIS A 34 5.892 -3.399 4.328 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.190 -2.576 5.707 1.00 10.00 H new ATOM 0 HD1 HIS A 34 4.355 -5.369 3.206 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.113 -3.860 6.912 1.00 10.00 H new ATOM 0 HE1 HIS A 34 2.687 -7.035 4.169 1.00 10.00 H new ATOM 557 N PHE A 35 1.969 -1.816 3.564 1.00 10.00 N ATOM 558 CA PHE A 35 0.624 -1.407 3.931 1.00 10.00 C ATOM 559 C PHE A 35 -0.283 -2.612 4.139 1.00 10.00 C ATOM 560 O PHE A 35 -0.124 -3.648 3.491 1.00 10.00 O ATOM 561 CB PHE A 35 0.032 -0.482 2.858 1.00 10.00 C ATOM 562 CG PHE A 35 0.004 -1.089 1.478 1.00 10.00 C ATOM 563 CD1 PHE A 35 -1.125 -1.757 1.023 1.00 10.00 C ATOM 564 CD2 PHE A 35 1.105 -0.996 0.641 1.00 10.00 C ATOM 565 CE1 PHE A 35 -1.152 -2.321 -0.239 1.00 10.00 C ATOM 566 CE2 PHE A 35 1.081 -1.557 -0.622 1.00 10.00 C ATOM 567 CZ PHE A 35 -0.049 -2.221 -1.061 1.00 10.00 C ATOM 0 H PHE A 35 2.027 -2.361 2.704 1.00 10.00 H new ATOM 0 HA PHE A 35 0.688 -0.863 4.873 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.984 -0.211 3.146 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.612 0.441 2.827 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -1.992 -1.837 1.662 1.00 10.00 H new ATOM 0 HD2 PHE A 35 1.991 -0.480 0.979 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -2.036 -2.839 -0.581 1.00 10.00 H new ATOM 0 HE2 PHE A 35 1.945 -1.477 -1.265 1.00 10.00 H new ATOM 0 HZ PHE A 35 -0.068 -2.661 -2.047 1.00 10.00 H new ATOM 577 N LEU A 36 -1.220 -2.463 5.061 1.00 10.00 N ATOM 578 CA LEU A 36 -2.179 -3.508 5.373 1.00 10.00 C ATOM 579 C LEU A 36 -3.585 -3.007 5.087 1.00 10.00 C ATOM 580 O LEU A 36 -3.989 -1.957 5.590 1.00 10.00 O ATOM 581 CB LEU A 36 -2.062 -3.912 6.845 1.00 10.00 C ATOM 582 CG LEU A 36 -1.070 -5.038 7.141 1.00 10.00 C ATOM 583 CD1 LEU A 36 -0.636 -4.994 8.598 1.00 10.00 C ATOM 584 CD2 LEU A 36 -1.690 -6.387 6.809 1.00 10.00 C ATOM 0 H LEU A 36 -1.337 -1.614 5.614 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.970 -4.380 4.753 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -1.772 -3.034 7.423 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -3.047 -4.216 7.200 1.00 10.00 H new ATOM 0 HG LEU A 36 -0.188 -4.899 6.516 1.00 10.00 H new ATOM 0 HD11 LEU A 36 0.070 -5.802 8.792 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -0.158 -4.037 8.807 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -1.508 -5.112 9.241 1.00 10.00 H new ATOM 0 HD21 LEU A 36 -0.973 -7.180 7.024 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -2.586 -6.534 7.412 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -1.956 -6.415 5.752 1.00 10.00 H new ATOM 596 N TYR A 37 -4.331 -3.744 4.279 1.00 10.00 N ATOM 597 CA TYR A 37 -5.688 -3.349 3.943 1.00 10.00 C ATOM 598 C TYR A 37 -6.639 -4.529 4.053 1.00 10.00 C ATOM 599 O TYR A 37 -6.231 -5.681 3.923 1.00 10.00 O ATOM 600 CB TYR A 37 -5.744 -2.726 2.541 1.00 10.00 C ATOM 601 CG TYR A 37 -5.499 -3.684 1.394 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.558 -4.314 0.751 1.00 10.00 C ATOM 603 CD2 TYR A 37 -4.211 -3.934 0.936 1.00 10.00 C ATOM 604 CE1 TYR A 37 -6.343 -5.166 -0.314 1.00 10.00 C ATOM 605 CE2 TYR A 37 -3.987 -4.788 -0.127 1.00 10.00 C ATOM 606 CZ TYR A 37 -5.054 -5.399 -0.748 1.00 10.00 C ATOM 607 OH TYR A 37 -4.836 -6.239 -1.813 1.00 10.00 O ATOM 0 H TYR A 37 -4.021 -4.614 3.846 1.00 10.00 H new ATOM 0 HA TYR A 37 -6.008 -2.593 4.660 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.723 -2.266 2.405 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -5.006 -1.926 2.488 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.567 -4.134 1.091 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -3.372 -3.454 1.418 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -7.177 -5.646 -0.804 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -2.980 -4.976 -0.469 1.00 10.00 H new ATOM 0 HH TYR A 37 -4.778 -7.164 -1.494 1.00 10.00 H new ATOM 617 N ASP A 38 -7.903 -4.228 4.299 1.00 10.00 N ATOM 618 CA ASP A 38 -8.927 -5.252 4.437 1.00 10.00 C ATOM 619 C ASP A 38 -9.394 -5.725 3.069 1.00 10.00 C ATOM 620 O ASP A 38 -9.729 -4.917 2.203 1.00 10.00 O ATOM 621 CB ASP A 38 -10.119 -4.715 5.234 1.00 10.00 C ATOM 622 CG ASP A 38 -11.033 -5.814 5.748 1.00 10.00 C ATOM 623 OD1 ASP A 38 -11.777 -5.561 6.716 1.00 10.00 O ATOM 624 OD2 ASP A 38 -11.012 -6.932 5.194 1.00 10.00 O ATOM 0 H ASP A 38 -8.247 -3.274 4.408 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.494 -6.096 4.975 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -9.751 -4.131 6.078 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.694 -4.037 4.604 1.00 10.00 H new ATOM 629 N LEU A 39 -9.411 -7.035 2.884 1.00 10.00 N ATOM 630 CA LEU A 39 -9.838 -7.625 1.626 1.00 10.00 C ATOM 631 C LEU A 39 -11.357 -7.748 1.579 1.00 10.00 C ATOM 632 O LEU A 39 -11.959 -7.743 0.502 1.00 10.00 O ATOM 633 CB LEU A 39 -9.194 -9.002 1.453 1.00 10.00 C ATOM 634 CG LEU A 39 -9.564 -9.737 0.162 1.00 10.00 C ATOM 635 CD1 LEU A 39 -8.321 -10.009 -0.672 1.00 10.00 C ATOM 636 CD2 LEU A 39 -10.301 -11.033 0.476 1.00 10.00 C ATOM 0 H LEU A 39 -9.132 -7.713 3.593 1.00 10.00 H new ATOM 0 HA LEU A 39 -9.520 -6.975 0.811 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -8.111 -8.886 1.488 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -9.476 -9.626 2.301 1.00 10.00 H new ATOM 0 HG LEU A 39 -10.231 -9.100 -0.419 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -8.603 -10.532 -1.586 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -7.841 -9.065 -0.928 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -7.627 -10.626 -0.101 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -10.556 -11.541 -0.454 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -9.662 -11.678 1.079 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -11.213 -10.808 1.028 1.00 10.00 H new ATOM 648 N GLY A 40 -11.971 -7.841 2.754 1.00 10.00 N ATOM 649 CA GLY A 40 -13.413 -7.975 2.838 1.00 10.00 C ATOM 650 C GLY A 40 -13.868 -9.418 2.763 1.00 10.00 C ATOM 651 O GLY A 40 -14.710 -9.770 1.933 1.00 10.00 O ATOM 0 H GLY A 40 -11.492 -7.826 3.654 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.761 -7.536 3.773 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.875 -7.409 2.029 1.00 10.00 H new ATOM 655 N GLY A 41 -13.314 -10.261 3.623 1.00 10.00 N ATOM 656 CA GLY A 41 -13.692 -11.659 3.623 1.00 10.00 C ATOM 657 C GLY A 41 -12.859 -12.495 4.572 1.00 10.00 C ATOM 658 O GLY A 41 -12.289 -13.513 4.173 1.00 10.00 O ATOM 0 H GLY A 41 -12.613 -10.003 4.318 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -14.743 -11.746 3.898 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -13.592 -12.057 2.613 1.00 10.00 H new ATOM 662 N GLY A 42 -12.777 -12.066 5.823 1.00 10.00 N ATOM 663 CA GLY A 42 -12.007 -12.793 6.816 1.00 10.00 C ATOM 664 C GLY A 42 -10.539 -12.433 6.779 1.00 10.00 C ATOM 665 O GLY A 42 -10.000 -11.888 7.745 1.00 10.00 O ATOM 0 H GLY A 42 -13.232 -11.222 6.171 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -12.406 -12.582 7.808 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -12.121 -13.864 6.648 1.00 10.00 H new ATOM 669 N LYS A 43 -9.896 -12.734 5.662 1.00 10.00 N ATOM 670 CA LYS A 43 -8.483 -12.441 5.489 1.00 10.00 C ATOM 671 C LYS A 43 -8.297 -11.027 4.960 1.00 10.00 C ATOM 672 O LYS A 43 -9.247 -10.397 4.489 1.00 10.00 O ATOM 673 CB LYS A 43 -7.824 -13.452 4.541 1.00 10.00 C ATOM 674 CG LYS A 43 -8.537 -13.624 3.201 1.00 10.00 C ATOM 675 CD LYS A 43 -9.368 -14.901 3.161 1.00 10.00 C ATOM 676 CE LYS A 43 -8.510 -16.130 2.879 1.00 10.00 C ATOM 677 NZ LYS A 43 -7.841 -16.646 4.102 1.00 10.00 N ATOM 0 H LYS A 43 -10.334 -13.184 4.858 1.00 10.00 H new ATOM 0 HA LYS A 43 -7.999 -12.521 6.463 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -6.797 -13.139 4.354 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -7.776 -14.420 5.039 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -9.183 -12.765 3.020 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -7.801 -13.644 2.398 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -9.883 -15.029 4.113 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -10.136 -14.810 2.393 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -9.134 -16.915 2.451 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -7.755 -15.880 2.133 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -7.757 -17.681 4.041 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -6.893 -16.226 4.183 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -8.404 -16.393 4.939 1.00 10.00 H new ATOM 691 N ALA A 44 -7.077 -10.532 5.050 1.00 10.00 N ATOM 692 CA ALA A 44 -6.757 -9.194 4.585 1.00 10.00 C ATOM 693 C ALA A 44 -5.696 -9.247 3.491 1.00 10.00 C ATOM 694 O ALA A 44 -5.233 -10.326 3.114 1.00 10.00 O ATOM 695 CB ALA A 44 -6.282 -8.337 5.749 1.00 10.00 C ATOM 0 H ALA A 44 -6.285 -11.040 5.444 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.657 -8.745 4.165 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -6.044 -7.336 5.390 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -7.069 -8.276 6.501 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.392 -8.785 6.191 1.00 10.00 H new ATOM 701 N GLY A 45 -5.329 -8.084 2.983 1.00 10.00 N ATOM 702 CA GLY A 45 -4.321 -8.001 1.951 1.00 10.00 C ATOM 703 C GLY A 45 -3.182 -7.108 2.384 1.00 10.00 C ATOM 704 O GLY A 45 -3.374 -6.211 3.208 1.00 10.00 O ATOM 0 H GLY A 45 -5.717 -7.186 3.271 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.942 -8.998 1.726 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.764 -7.614 1.034 1.00 10.00 H new ATOM 708 N MET A 46 -2.000 -7.340 1.843 1.00 10.00 N ATOM 709 CA MET A 46 -0.844 -6.542 2.205 1.00 10.00 C ATOM 710 C MET A 46 0.092 -6.380 1.017 1.00 10.00 C ATOM 711 O MET A 46 0.028 -7.148 0.056 1.00 10.00 O ATOM 712 CB MET A 46 -0.101 -7.182 3.380 1.00 10.00 C ATOM 713 CG MET A 46 0.523 -8.530 3.059 1.00 10.00 C ATOM 714 SD MET A 46 1.043 -9.423 4.538 1.00 10.00 S ATOM 715 CE MET A 46 1.939 -10.786 3.801 1.00 10.00 C ATOM 0 H MET A 46 -1.816 -8.070 1.155 1.00 10.00 H new ATOM 0 HA MET A 46 -1.192 -5.554 2.506 1.00 10.00 H new ATOM 0 HB2 MET A 46 0.682 -6.502 3.715 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.795 -7.304 4.212 1.00 10.00 H new ATOM 0 HG2 MET A 46 -0.195 -9.136 2.506 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.384 -8.382 2.407 1.00 10.00 H new ATOM 0 HE1 MET A 46 2.557 -11.267 4.559 1.00 10.00 H new ATOM 0 HE2 MET A 46 1.232 -11.510 3.396 1.00 10.00 H new ATOM 0 HE3 MET A 46 2.575 -10.412 2.999 1.00 10.00 H new ATOM 725 N GLY A 47 0.940 -5.371 1.082 1.00 10.00 N ATOM 726 CA GLY A 47 1.881 -5.118 0.016 1.00 10.00 C ATOM 727 C GLY A 47 2.982 -4.186 0.461 1.00 10.00 C ATOM 728 O GLY A 47 2.889 -3.576 1.530 1.00 10.00 O ATOM 0 H GLY A 47 0.994 -4.716 1.862 1.00 10.00 H new ATOM 0 HA2 GLY A 47 2.314 -6.060 -0.320 1.00 10.00 H new ATOM 0 HA3 GLY A 47 1.359 -4.685 -0.837 1.00 10.00 H new ATOM 732 N MET A 48 4.011 -4.055 -0.355 1.00 10.00 N ATOM 733 CA MET A 48 5.135 -3.198 -0.029 1.00 10.00 C ATOM 734 C MET A 48 5.570 -2.414 -1.260 1.00 10.00 C ATOM 735 O MET A 48 6.046 -2.992 -2.236 1.00 10.00 O ATOM 736 CB MET A 48 6.285 -4.047 0.510 1.00 10.00 C ATOM 737 CG MET A 48 7.352 -3.253 1.239 1.00 10.00 C ATOM 738 SD MET A 48 8.348 -4.272 2.348 1.00 10.00 S ATOM 739 CE MET A 48 8.540 -5.754 1.360 1.00 10.00 C ATOM 0 H MET A 48 4.092 -4.533 -1.252 1.00 10.00 H new ATOM 0 HA MET A 48 4.837 -2.484 0.739 1.00 10.00 H new ATOM 0 HB2 MET A 48 5.881 -4.799 1.187 1.00 10.00 H new ATOM 0 HB3 MET A 48 6.748 -4.581 -0.320 1.00 10.00 H new ATOM 0 HG2 MET A 48 8.005 -2.774 0.509 1.00 10.00 H new ATOM 0 HG3 MET A 48 6.877 -2.457 1.813 1.00 10.00 H new ATOM 0 HE1 MET A 48 9.395 -6.325 1.723 1.00 10.00 H new ATOM 0 HE2 MET A 48 7.638 -6.362 1.437 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.704 -5.478 0.318 1.00 10.00 H new ATOM 749 N VAL A 49 5.397 -1.099 -1.209 1.00 10.00 N ATOM 750 CA VAL A 49 5.747 -0.230 -2.326 1.00 10.00 C ATOM 751 C VAL A 49 7.030 0.551 -2.029 1.00 10.00 C ATOM 752 O VAL A 49 7.317 0.875 -0.876 1.00 10.00 O ATOM 753 CB VAL A 49 4.586 0.751 -2.646 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.335 1.705 -1.485 1.00 10.00 C ATOM 755 CG2 VAL A 49 4.852 1.526 -3.930 1.00 10.00 C ATOM 0 H VAL A 49 5.014 -0.609 -0.401 1.00 10.00 H new ATOM 0 HA VAL A 49 5.920 -0.861 -3.198 1.00 10.00 H new ATOM 0 HB VAL A 49 3.687 0.153 -2.795 1.00 10.00 H new ATOM 0 HG11 VAL A 49 3.517 2.379 -1.738 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.072 1.134 -0.595 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.237 2.286 -1.290 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.021 2.203 -4.125 1.00 10.00 H new ATOM 0 HG22 VAL A 49 5.772 2.101 -3.824 1.00 10.00 H new ATOM 0 HG23 VAL A 49 4.954 0.829 -4.761 1.00 10.00 H new ATOM 765 N SER A 50 7.806 0.828 -3.067 1.00 10.00 N ATOM 766 CA SER A 50 9.051 1.566 -2.923 1.00 10.00 C ATOM 767 C SER A 50 8.790 3.073 -2.852 1.00 10.00 C ATOM 768 O SER A 50 7.973 3.604 -3.606 1.00 10.00 O ATOM 769 CB SER A 50 9.968 1.243 -4.103 1.00 10.00 C ATOM 770 OG SER A 50 9.295 0.444 -5.067 1.00 10.00 O ATOM 0 H SER A 50 7.592 0.550 -4.025 1.00 10.00 H new ATOM 0 HA SER A 50 9.533 1.266 -1.992 1.00 10.00 H new ATOM 0 HB2 SER A 50 10.309 2.168 -4.567 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.855 0.719 -3.746 1.00 10.00 H new ATOM 0 HG SER A 50 9.457 0.806 -5.963 1.00 10.00 H new ATOM 776 N GLU A 51 9.491 3.757 -1.947 1.00 10.00 N ATOM 777 CA GLU A 51 9.343 5.208 -1.780 1.00 10.00 C ATOM 778 C GLU A 51 9.668 5.957 -3.070 1.00 10.00 C ATOM 779 O GLU A 51 9.146 7.045 -3.315 1.00 10.00 O ATOM 780 CB GLU A 51 10.258 5.726 -0.669 1.00 10.00 C ATOM 781 CG GLU A 51 9.862 5.278 0.727 1.00 10.00 C ATOM 782 CD GLU A 51 10.475 6.147 1.807 1.00 10.00 C ATOM 783 OE1 GLU A 51 11.713 6.310 1.819 1.00 10.00 O ATOM 784 OE2 GLU A 51 9.726 6.688 2.640 1.00 10.00 O ATOM 0 H GLU A 51 10.169 3.331 -1.316 1.00 10.00 H new ATOM 0 HA GLU A 51 8.302 5.390 -1.515 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.277 5.394 -0.869 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.266 6.816 -0.700 1.00 10.00 H new ATOM 0 HG2 GLU A 51 8.776 5.301 0.819 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.173 4.244 0.876 1.00 10.00 H new ATOM 791 N LYS A 52 10.541 5.374 -3.883 1.00 10.00 N ATOM 792 CA LYS A 52 10.943 5.985 -5.145 1.00 10.00 C ATOM 793 C LYS A 52 9.821 5.902 -6.173 1.00 10.00 C ATOM 794 O LYS A 52 9.649 6.803 -6.995 1.00 10.00 O ATOM 795 CB LYS A 52 12.191 5.293 -5.698 1.00 10.00 C ATOM 796 CG LYS A 52 13.407 5.392 -4.793 1.00 10.00 C ATOM 797 CD LYS A 52 14.514 4.470 -5.272 1.00 10.00 C ATOM 798 CE LYS A 52 15.752 4.578 -4.400 1.00 10.00 C ATOM 799 NZ LYS A 52 16.783 3.583 -4.786 1.00 10.00 N ATOM 0 H LYS A 52 10.985 4.476 -3.690 1.00 10.00 H new ATOM 0 HA LYS A 52 11.166 7.034 -4.951 1.00 10.00 H new ATOM 0 HB2 LYS A 52 11.964 4.241 -5.870 1.00 10.00 H new ATOM 0 HB3 LYS A 52 12.436 5.729 -6.667 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.768 6.420 -4.773 1.00 10.00 H new ATOM 0 HG3 LYS A 52 13.128 5.132 -3.772 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.156 3.440 -5.270 1.00 10.00 H new ATOM 0 HD3 LYS A 52 14.772 4.716 -6.302 1.00 10.00 H new ATOM 0 HE2 LYS A 52 16.167 5.583 -4.480 1.00 10.00 H new ATOM 0 HE3 LYS A 52 15.476 4.430 -3.356 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 17.614 3.687 -4.169 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 16.394 2.624 -4.685 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 17.064 3.740 -5.775 1.00 10.00 H new ATOM 813 N ASP A 53 9.057 4.822 -6.115 1.00 10.00 N ATOM 814 CA ASP A 53 7.963 4.608 -7.054 1.00 10.00 C ATOM 815 C ASP A 53 6.696 5.316 -6.594 1.00 10.00 C ATOM 816 O ASP A 53 5.894 5.768 -7.412 1.00 10.00 O ATOM 817 CB ASP A 53 7.694 3.111 -7.234 1.00 10.00 C ATOM 818 CG ASP A 53 8.782 2.421 -8.035 1.00 10.00 C ATOM 819 OD1 ASP A 53 8.819 2.596 -9.272 1.00 10.00 O ATOM 820 OD2 ASP A 53 9.610 1.701 -7.432 1.00 10.00 O ATOM 0 H ASP A 53 9.174 4.078 -5.427 1.00 10.00 H new ATOM 0 HA ASP A 53 8.261 5.031 -8.013 1.00 10.00 H new ATOM 0 HB2 ASP A 53 7.612 2.639 -6.255 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.736 2.974 -7.735 1.00 10.00 H new ATOM 825 N ALA A 54 6.522 5.409 -5.283 1.00 10.00 N ATOM 826 CA ALA A 54 5.356 6.065 -4.707 1.00 10.00 C ATOM 827 C ALA A 54 5.437 7.579 -4.897 1.00 10.00 C ATOM 828 O ALA A 54 6.367 8.222 -4.407 1.00 10.00 O ATOM 829 CB ALA A 54 5.231 5.725 -3.229 1.00 10.00 C ATOM 0 H ALA A 54 7.177 5.037 -4.595 1.00 10.00 H new ATOM 0 HA ALA A 54 4.469 5.701 -5.226 1.00 10.00 H new ATOM 0 HB1 ALA A 54 4.355 6.223 -2.814 1.00 10.00 H new ATOM 0 HB2 ALA A 54 5.125 4.647 -3.111 1.00 10.00 H new ATOM 0 HB3 ALA A 54 6.124 6.061 -2.701 1.00 10.00 H new ATOM 835 N PRO A 55 4.477 8.165 -5.632 1.00 10.00 N ATOM 836 CA PRO A 55 4.441 9.610 -5.883 1.00 10.00 C ATOM 837 C PRO A 55 4.260 10.410 -4.596 1.00 10.00 C ATOM 838 O PRO A 55 3.650 9.925 -3.642 1.00 10.00 O ATOM 839 CB PRO A 55 3.220 9.794 -6.793 1.00 10.00 C ATOM 840 CG PRO A 55 2.916 8.440 -7.332 1.00 10.00 C ATOM 841 CD PRO A 55 3.359 7.468 -6.280 1.00 10.00 C ATOM 0 HA PRO A 55 5.372 9.967 -6.324 1.00 10.00 H new ATOM 0 HB2 PRO A 55 2.373 10.194 -6.236 1.00 10.00 H new ATOM 0 HB3 PRO A 55 3.433 10.498 -7.598 1.00 10.00 H new ATOM 0 HG2 PRO A 55 1.851 8.332 -7.539 1.00 10.00 H new ATOM 0 HG3 PRO A 55 3.443 8.266 -8.270 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.559 7.246 -5.574 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.673 6.519 -6.715 1.00 10.00 H new ATOM 849 N LYS A 56 4.777 11.637 -4.582 1.00 10.00 N ATOM 850 CA LYS A 56 4.678 12.513 -3.411 1.00 10.00 C ATOM 851 C LYS A 56 3.227 12.703 -2.980 1.00 10.00 C ATOM 852 O LYS A 56 2.939 12.826 -1.790 1.00 10.00 O ATOM 853 CB LYS A 56 5.317 13.875 -3.698 1.00 10.00 C ATOM 854 CG LYS A 56 6.832 13.839 -3.760 1.00 10.00 C ATOM 855 CD LYS A 56 7.422 15.240 -3.764 1.00 10.00 C ATOM 856 CE LYS A 56 8.906 15.225 -4.084 1.00 10.00 C ATOM 857 NZ LYS A 56 9.474 16.600 -4.138 1.00 10.00 N ATOM 0 H LYS A 56 5.272 12.051 -5.372 1.00 10.00 H new ATOM 0 HA LYS A 56 5.218 12.031 -2.596 1.00 10.00 H new ATOM 0 HB2 LYS A 56 4.933 14.254 -4.645 1.00 10.00 H new ATOM 0 HB3 LYS A 56 5.011 14.580 -2.925 1.00 10.00 H new ATOM 0 HG2 LYS A 56 7.219 13.282 -2.907 1.00 10.00 H new ATOM 0 HG3 LYS A 56 7.148 13.307 -4.657 1.00 10.00 H new ATOM 0 HD2 LYS A 56 6.898 15.853 -4.497 1.00 10.00 H new ATOM 0 HD3 LYS A 56 7.265 15.704 -2.790 1.00 10.00 H new ATOM 0 HE2 LYS A 56 9.435 14.643 -3.329 1.00 10.00 H new ATOM 0 HE3 LYS A 56 9.067 14.728 -5.041 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 10.489 16.548 -4.359 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 8.987 17.148 -4.875 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 9.344 17.066 -3.217 1.00 10.00 H new ATOM 871 N GLU A 57 2.318 12.730 -3.947 1.00 10.00 N ATOM 872 CA GLU A 57 0.902 12.895 -3.654 1.00 10.00 C ATOM 873 C GLU A 57 0.374 11.701 -2.861 1.00 10.00 C ATOM 874 O GLU A 57 -0.143 11.853 -1.753 1.00 10.00 O ATOM 875 CB GLU A 57 0.104 13.050 -4.946 1.00 10.00 C ATOM 876 CG GLU A 57 -1.403 13.036 -4.740 1.00 10.00 C ATOM 877 CD GLU A 57 -2.166 12.961 -6.046 1.00 10.00 C ATOM 878 OE1 GLU A 57 -1.998 11.970 -6.787 1.00 10.00 O ATOM 879 OE2 GLU A 57 -2.947 13.891 -6.336 1.00 10.00 O ATOM 0 H GLU A 57 2.537 12.640 -4.939 1.00 10.00 H new ATOM 0 HA GLU A 57 0.783 13.797 -3.053 1.00 10.00 H new ATOM 0 HB2 GLU A 57 0.387 13.986 -5.427 1.00 10.00 H new ATOM 0 HB3 GLU A 57 0.376 12.245 -5.629 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -1.673 12.184 -4.116 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -1.701 13.935 -4.200 1.00 10.00 H new ATOM 886 N LEU A 58 0.528 10.512 -3.434 1.00 10.00 N ATOM 887 CA LEU A 58 0.065 9.288 -2.792 1.00 10.00 C ATOM 888 C LEU A 58 0.814 9.050 -1.487 1.00 10.00 C ATOM 889 O LEU A 58 0.256 8.509 -0.534 1.00 10.00 O ATOM 890 CB LEU A 58 0.235 8.090 -3.731 1.00 10.00 C ATOM 891 CG LEU A 58 -0.550 8.178 -5.046 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.401 6.894 -5.846 1.00 10.00 C ATOM 893 CD2 LEU A 58 -2.021 8.469 -4.779 1.00 10.00 C ATOM 0 H LEU A 58 0.970 10.370 -4.342 1.00 10.00 H new ATOM 0 HA LEU A 58 -0.995 9.402 -2.565 1.00 10.00 H new ATOM 0 HB2 LEU A 58 1.294 7.979 -3.965 1.00 10.00 H new ATOM 0 HB3 LEU A 58 -0.072 7.187 -3.202 1.00 10.00 H new ATOM 0 HG LEU A 58 -0.138 9.000 -5.631 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -0.965 6.977 -6.775 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.652 6.728 -6.074 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -0.783 6.056 -5.263 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -2.558 8.527 -5.726 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.445 7.671 -4.170 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -2.114 9.418 -4.250 1.00 10.00 H new ATOM 905 N LEU A 59 2.074 9.470 -1.446 1.00 10.00 N ATOM 906 CA LEU A 59 2.894 9.319 -0.254 1.00 10.00 C ATOM 907 C LEU A 59 2.283 10.106 0.901 1.00 10.00 C ATOM 908 O LEU A 59 2.201 9.613 2.026 1.00 10.00 O ATOM 909 CB LEU A 59 4.325 9.793 -0.527 1.00 10.00 C ATOM 910 CG LEU A 59 5.303 9.639 0.638 1.00 10.00 C ATOM 911 CD1 LEU A 59 5.386 8.186 1.087 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.677 10.152 0.243 1.00 10.00 C ATOM 0 H LEU A 59 2.549 9.919 -2.229 1.00 10.00 H new ATOM 0 HA LEU A 59 2.928 8.264 0.019 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.715 9.240 -1.382 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.292 10.844 -0.815 1.00 10.00 H new ATOM 0 HG LEU A 59 4.935 10.232 1.475 1.00 10.00 H new ATOM 0 HD11 LEU A 59 6.088 8.101 1.917 1.00 10.00 H new ATOM 0 HD12 LEU A 59 4.401 7.848 1.409 1.00 10.00 H new ATOM 0 HD13 LEU A 59 5.729 7.568 0.257 1.00 10.00 H new ATOM 0 HD21 LEU A 59 7.363 10.036 1.082 1.00 10.00 H new ATOM 0 HD22 LEU A 59 7.047 9.583 -0.610 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.608 11.206 -0.027 1.00 10.00 H new ATOM 924 N GLN A 60 1.828 11.320 0.606 1.00 10.00 N ATOM 925 CA GLN A 60 1.205 12.166 1.616 1.00 10.00 C ATOM 926 C GLN A 60 -0.094 11.529 2.087 1.00 10.00 C ATOM 927 O GLN A 60 -0.464 11.625 3.256 1.00 10.00 O ATOM 928 CB GLN A 60 0.929 13.559 1.055 1.00 10.00 C ATOM 929 CG GLN A 60 0.805 14.632 2.128 1.00 10.00 C ATOM 930 CD GLN A 60 2.128 14.929 2.806 1.00 10.00 C ATOM 931 OE1 GLN A 60 2.464 14.341 3.836 1.00 10.00 O ATOM 932 NE2 GLN A 60 2.891 15.844 2.233 1.00 10.00 N ATOM 0 H GLN A 60 1.879 11.739 -0.323 1.00 10.00 H new ATOM 0 HA GLN A 60 1.888 12.264 2.460 1.00 10.00 H new ATOM 0 HB2 GLN A 60 1.732 13.832 0.370 1.00 10.00 H new ATOM 0 HB3 GLN A 60 0.009 13.531 0.472 1.00 10.00 H new ATOM 0 HG2 GLN A 60 0.416 15.547 1.680 1.00 10.00 H new ATOM 0 HG3 GLN A 60 0.081 14.311 2.877 1.00 10.00 H new ATOM 0 HE21 GLN A 60 2.578 16.309 1.381 1.00 10.00 H new ATOM 0 HE22 GLN A 60 3.793 16.085 2.643 1.00 10.00 H new ATOM 941 N MET A 61 -0.781 10.866 1.162 1.00 10.00 N ATOM 942 CA MET A 61 -2.032 10.192 1.476 1.00 10.00 C ATOM 943 C MET A 61 -1.755 9.000 2.386 1.00 10.00 C ATOM 944 O MET A 61 -2.539 8.690 3.286 1.00 10.00 O ATOM 945 CB MET A 61 -2.734 9.737 0.194 1.00 10.00 C ATOM 946 CG MET A 61 -3.226 10.888 -0.668 1.00 10.00 C ATOM 947 SD MET A 61 -3.950 10.334 -2.226 1.00 10.00 S ATOM 948 CE MET A 61 -5.413 9.481 -1.640 1.00 10.00 C ATOM 0 H MET A 61 -0.490 10.782 0.188 1.00 10.00 H new ATOM 0 HA MET A 61 -2.692 10.889 1.993 1.00 10.00 H new ATOM 0 HB2 MET A 61 -2.047 9.124 -0.389 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.581 9.103 0.458 1.00 10.00 H new ATOM 0 HG2 MET A 61 -3.967 11.462 -0.112 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.394 11.560 -0.878 1.00 10.00 H new ATOM 0 HE1 MET A 61 -5.994 9.128 -2.492 1.00 10.00 H new ATOM 0 HE2 MET A 61 -5.117 8.631 -1.025 1.00 10.00 H new ATOM 0 HE3 MET A 61 -6.019 10.165 -1.046 1.00 10.00 H new ATOM 958 N LEU A 62 -0.625 8.344 2.151 1.00 10.00 N ATOM 959 CA LEU A 62 -0.219 7.202 2.961 1.00 10.00 C ATOM 960 C LEU A 62 0.141 7.664 4.363 1.00 10.00 C ATOM 961 O LEU A 62 -0.114 6.966 5.341 1.00 10.00 O ATOM 962 CB LEU A 62 0.973 6.480 2.326 1.00 10.00 C ATOM 963 CG LEU A 62 0.683 5.799 0.988 1.00 10.00 C ATOM 964 CD1 LEU A 62 1.943 5.159 0.433 1.00 10.00 C ATOM 965 CD2 LEU A 62 -0.422 4.765 1.143 1.00 10.00 C ATOM 0 H LEU A 62 0.028 8.584 1.405 1.00 10.00 H new ATOM 0 HA LEU A 62 -1.054 6.504 3.015 1.00 10.00 H new ATOM 0 HB2 LEU A 62 1.779 7.200 2.182 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.338 5.729 3.027 1.00 10.00 H new ATOM 0 HG LEU A 62 0.344 6.557 0.282 1.00 10.00 H new ATOM 0 HD11 LEU A 62 1.718 4.679 -0.519 1.00 10.00 H new ATOM 0 HD12 LEU A 62 2.704 5.925 0.283 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.313 4.413 1.137 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -0.614 4.291 0.180 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -0.114 4.009 1.865 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -1.331 5.253 1.495 1.00 10.00 H new ATOM 977 N GLU A 63 0.728 8.853 4.446 1.00 10.00 N ATOM 978 CA GLU A 63 1.120 9.439 5.720 1.00 10.00 C ATOM 979 C GLU A 63 -0.101 9.688 6.599 1.00 10.00 C ATOM 980 O GLU A 63 -0.018 9.645 7.826 1.00 10.00 O ATOM 981 CB GLU A 63 1.867 10.751 5.483 1.00 10.00 C ATOM 982 CG GLU A 63 3.290 10.561 4.981 1.00 10.00 C ATOM 983 CD GLU A 63 4.205 9.978 6.038 1.00 10.00 C ATOM 984 OE1 GLU A 63 4.010 10.284 7.233 1.00 10.00 O ATOM 985 OE2 GLU A 63 5.127 9.218 5.681 1.00 10.00 O ATOM 0 H GLU A 63 0.944 9.434 3.636 1.00 10.00 H new ATOM 0 HA GLU A 63 1.778 8.738 6.234 1.00 10.00 H new ATOM 0 HB2 GLU A 63 1.313 11.349 4.760 1.00 10.00 H new ATOM 0 HB3 GLU A 63 1.892 11.318 6.414 1.00 10.00 H new ATOM 0 HG2 GLU A 63 3.280 9.904 4.111 1.00 10.00 H new ATOM 0 HG3 GLU A 63 3.687 11.521 4.651 1.00 10.00 H new ATOM 992 N LYS A 64 -1.236 9.945 5.957 1.00 10.00 N ATOM 993 CA LYS A 64 -2.484 10.197 6.671 1.00 10.00 C ATOM 994 C LYS A 64 -3.022 8.911 7.297 1.00 10.00 C ATOM 995 O LYS A 64 -3.826 8.955 8.227 1.00 10.00 O ATOM 996 CB LYS A 64 -3.537 10.790 5.728 1.00 10.00 C ATOM 997 CG LYS A 64 -3.076 12.041 4.997 1.00 10.00 C ATOM 998 CD LYS A 64 -4.208 12.676 4.207 1.00 10.00 C ATOM 999 CE LYS A 64 -3.683 13.635 3.150 1.00 10.00 C ATOM 1000 NZ LYS A 64 -4.647 14.731 2.872 1.00 10.00 N ATOM 0 H LYS A 64 -1.318 9.984 4.941 1.00 10.00 H new ATOM 0 HA LYS A 64 -2.274 10.914 7.465 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -3.819 10.035 4.994 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -4.433 11.026 6.302 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -2.685 12.761 5.717 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -2.258 11.788 4.323 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -4.801 11.896 3.729 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -4.872 13.210 4.887 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -2.736 14.060 3.483 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -3.481 13.087 2.230 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -4.253 15.364 2.147 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -5.543 14.327 2.530 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -4.821 15.270 3.744 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.577 7.771 6.785 1.00 10.00 N ATOM 1015 CA GLN A 65 -3.020 6.479 7.293 1.00 10.00 C ATOM 1016 C GLN A 65 -1.852 5.701 7.892 1.00 10.00 C ATOM 1017 O GLN A 65 -1.944 4.491 8.120 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.680 5.666 6.175 1.00 10.00 C ATOM 1019 CG GLN A 65 -5.192 5.826 6.117 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.870 5.321 7.377 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -6.005 6.049 8.360 1.00 10.00 O ATOM 1022 NE2 GLN A 65 -6.311 4.072 7.355 1.00 10.00 N ATOM 0 H GLN A 65 -1.908 7.715 6.017 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.753 6.656 8.080 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -3.254 5.967 5.218 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.440 4.612 6.313 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -5.439 6.877 5.970 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -5.580 5.284 5.255 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -6.180 3.500 6.521 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -6.781 3.683 8.172 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.756 6.400 8.149 1.00 10.00 N ATOM 1032 CA LYS A 66 0.421 5.775 8.726 1.00 10.00 C ATOM 1033 C LYS A 66 0.170 5.462 10.195 1.00 10.00 C ATOM 1034 O LYS A 66 -0.254 6.328 10.962 1.00 10.00 O ATOM 1035 CB LYS A 66 1.643 6.681 8.570 1.00 10.00 C ATOM 1036 CG LYS A 66 2.966 5.992 8.878 1.00 10.00 C ATOM 1037 CD LYS A 66 4.151 6.918 8.638 1.00 10.00 C ATOM 1038 CE LYS A 66 4.209 8.032 9.671 1.00 10.00 C ATOM 1039 NZ LYS A 66 5.172 9.096 9.286 1.00 10.00 N ATOM 0 H LYS A 66 -0.659 7.399 7.967 1.00 10.00 H new ATOM 0 HA LYS A 66 0.622 4.844 8.196 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.672 7.062 7.549 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.531 7.542 9.229 1.00 10.00 H new ATOM 0 HG2 LYS A 66 2.970 5.657 9.915 1.00 10.00 H new ATOM 0 HG3 LYS A 66 3.067 5.103 8.256 1.00 10.00 H new ATOM 0 HD2 LYS A 66 5.076 6.342 8.671 1.00 10.00 H new ATOM 0 HD3 LYS A 66 4.080 7.350 7.640 1.00 10.00 H new ATOM 0 HE2 LYS A 66 3.217 8.467 9.792 1.00 10.00 H new ATOM 0 HE3 LYS A 66 4.495 7.616 10.637 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 5.618 9.486 10.141 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 5.904 8.694 8.666 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 4.669 9.854 8.782 1.00 10.00 H new ATOM 1053 N LYS A 67 0.424 4.222 10.576 1.00 10.00 N ATOM 1054 CA LYS A 67 0.208 3.779 11.946 1.00 10.00 C ATOM 1055 C LYS A 67 1.374 2.922 12.419 1.00 10.00 C ATOM 1056 O LYS A 67 1.930 2.142 11.643 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.098 2.984 12.054 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.349 3.826 11.853 1.00 10.00 C ATOM 1059 CD LYS A 67 -3.583 2.953 11.718 1.00 10.00 C ATOM 1060 CE LYS A 67 -4.856 3.779 11.652 1.00 10.00 C ATOM 1061 NZ LYS A 67 -6.058 2.917 11.506 1.00 10.00 N ATOM 0 H LYS A 67 0.782 3.499 9.953 1.00 10.00 H new ATOM 0 HA LYS A 67 0.137 4.662 12.582 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.087 2.184 11.314 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.144 2.511 13.035 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -2.472 4.506 12.696 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.237 4.442 10.961 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.499 2.342 10.819 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -3.638 2.268 12.564 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -4.947 4.382 12.556 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -4.799 4.471 10.812 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -6.904 3.514 11.413 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -5.958 2.323 10.658 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.154 2.310 12.345 1.00 10.00 H new TER 1075 LYS A 67 ATOM 1076 N GLY B 3 -9.093 -18.115 0.214 1.00 10.00 N ATOM 1077 CA GLY B 3 -8.266 -18.366 -0.952 1.00 10.00 C ATOM 1078 C GLY B 3 -7.395 -17.179 -1.297 1.00 10.00 C ATOM 1079 O GLY B 3 -6.551 -17.250 -2.190 1.00 10.00 O ATOM 0 HA2 GLY B 3 -7.636 -19.236 -0.769 1.00 10.00 H new ATOM 0 HA3 GLY B 3 -8.903 -18.607 -1.803 1.00 10.00 H new ATOM 1083 N GLU B 4 -7.604 -16.085 -0.582 1.00 10.00 N ATOM 1084 CA GLU B 4 -6.836 -14.870 -0.805 1.00 10.00 C ATOM 1085 C GLU B 4 -5.706 -14.755 0.207 1.00 10.00 C ATOM 1086 O GLU B 4 -5.941 -14.750 1.417 1.00 10.00 O ATOM 1087 CB GLU B 4 -7.740 -13.641 -0.739 1.00 10.00 C ATOM 1088 CG GLU B 4 -8.859 -13.659 -1.769 1.00 10.00 C ATOM 1089 CD GLU B 4 -8.389 -13.216 -3.135 1.00 10.00 C ATOM 1090 OE1 GLU B 4 -7.890 -14.059 -3.909 1.00 10.00 O ATOM 1091 OE2 GLU B 4 -8.521 -12.017 -3.446 1.00 10.00 O ATOM 0 H GLU B 4 -8.301 -16.013 0.159 1.00 10.00 H new ATOM 0 HA GLU B 4 -6.399 -14.922 -1.802 1.00 10.00 H new ATOM 0 HB2 GLU B 4 -8.175 -13.572 0.258 1.00 10.00 H new ATOM 0 HB3 GLU B 4 -7.135 -12.746 -0.886 1.00 10.00 H new ATOM 0 HG2 GLU B 4 -9.270 -14.666 -1.838 1.00 10.00 H new ATOM 0 HG3 GLU B 4 -9.667 -13.007 -1.436 1.00 10.00 H new ATOM 1098 N GLY B 5 -4.481 -14.677 -0.292 1.00 10.00 N ATOM 1099 CA GLY B 5 -3.336 -14.570 0.584 1.00 10.00 C ATOM 1100 C GLY B 5 -2.092 -14.098 -0.140 1.00 10.00 C ATOM 1101 O GLY B 5 -1.158 -14.875 -0.352 1.00 10.00 O ATOM 0 H GLY B 5 -4.261 -14.686 -1.288 1.00 10.00 H new ATOM 0 HA2 GLY B 5 -3.566 -13.877 1.394 1.00 10.00 H new ATOM 0 HA3 GLY B 5 -3.140 -15.540 1.041 1.00 10.00 H new ATOM 1105 N GLU B 6 -2.083 -12.827 -0.528 1.00 10.00 N ATOM 1106 CA GLU B 6 -0.939 -12.248 -1.224 1.00 10.00 C ATOM 1107 C GLU B 6 0.200 -11.981 -0.239 1.00 10.00 C ATOM 1108 O GLU B 6 -0.029 -11.519 0.882 1.00 10.00 O ATOM 1109 CB GLU B 6 -1.348 -10.958 -1.948 1.00 10.00 C ATOM 1110 CG GLU B 6 -1.800 -9.842 -1.018 1.00 10.00 C ATOM 1111 CD GLU B 6 -2.692 -8.826 -1.705 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -2.230 -8.164 -2.655 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -3.860 -8.684 -1.290 1.00 10.00 O ATOM 0 H GLU B 6 -2.855 -12.178 -0.372 1.00 10.00 H new ATOM 0 HA GLU B 6 -0.587 -12.959 -1.971 1.00 10.00 H new ATOM 0 HB2 GLU B 6 -0.505 -10.604 -2.541 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -2.155 -11.185 -2.645 1.00 10.00 H new ATOM 0 HG2 GLU B 6 -2.335 -10.275 -0.173 1.00 10.00 H new ATOM 0 HG3 GLU B 6 -0.924 -9.335 -0.615 1.00 10.00 H new ATOM 1120 N GLU B 7 1.423 -12.287 -0.655 1.00 10.00 N ATOM 1121 CA GLU B 7 2.593 -12.094 0.193 1.00 10.00 C ATOM 1122 C GLU B 7 3.702 -11.391 -0.582 1.00 10.00 C ATOM 1123 O GLU B 7 3.560 -11.124 -1.776 1.00 10.00 O ATOM 1124 CB GLU B 7 3.092 -13.441 0.726 1.00 10.00 C ATOM 1125 CG GLU B 7 2.094 -14.148 1.632 1.00 10.00 C ATOM 1126 CD GLU B 7 2.437 -15.604 1.863 1.00 10.00 C ATOM 1127 OE1 GLU B 7 2.234 -16.096 2.995 1.00 10.00 O ATOM 1128 OE2 GLU B 7 2.892 -16.273 0.910 1.00 10.00 O ATOM 0 H GLU B 7 1.631 -12.671 -1.577 1.00 10.00 H new ATOM 0 HA GLU B 7 2.308 -11.467 1.038 1.00 10.00 H new ATOM 0 HB2 GLU B 7 3.328 -14.091 -0.117 1.00 10.00 H new ATOM 0 HB3 GLU B 7 4.020 -13.283 1.276 1.00 10.00 H new ATOM 0 HG2 GLU B 7 2.054 -13.633 2.592 1.00 10.00 H new ATOM 0 HG3 GLU B 7 1.099 -14.080 1.192 1.00 10.00 H new ATOM 1135 N GLU B 8 4.803 -11.092 0.097 1.00 10.00 N ATOM 1136 CA GLU B 8 5.933 -10.415 -0.530 1.00 10.00 C ATOM 1137 C GLU B 8 7.234 -11.149 -0.241 1.00 10.00 C ATOM 1138 O GLU B 8 7.254 -12.368 -0.071 1.00 10.00 O ATOM 1139 CB GLU B 8 6.055 -8.971 -0.032 1.00 10.00 C ATOM 1140 CG GLU B 8 4.735 -8.228 0.081 1.00 10.00 C ATOM 1141 CD GLU B 8 4.459 -7.778 1.500 1.00 10.00 C ATOM 1142 OE1 GLU B 8 3.987 -8.604 2.307 1.00 10.00 O ATOM 1143 OE2 GLU B 8 4.750 -6.609 1.828 1.00 10.00 O ATOM 0 H GLU B 8 4.938 -11.308 1.085 1.00 10.00 H new ATOM 0 HA GLU B 8 5.751 -10.410 -1.605 1.00 10.00 H new ATOM 0 HB2 GLU B 8 6.538 -8.977 0.945 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.710 -8.421 -0.708 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.749 -7.360 -0.579 1.00 10.00 H new ATOM 0 HG3 GLU B 8 3.925 -8.873 -0.259 1.00 10.00 H new ATOM 1150 N GLY B 9 8.319 -10.391 -0.201 1.00 10.00 N ATOM 1151 CA GLY B 9 9.618 -10.960 0.068 1.00 10.00 C ATOM 1152 C GLY B 9 10.715 -10.158 -0.590 1.00 10.00 C ATOM 1153 O GLY B 9 11.410 -10.652 -1.479 1.00 10.00 O ATOM 0 H GLY B 9 8.320 -9.382 -0.352 1.00 10.00 H new ATOM 0 HA2 GLY B 9 9.786 -10.995 1.144 1.00 10.00 H new ATOM 0 HA3 GLY B 9 9.649 -11.988 -0.293 1.00 10.00 H new ATOM 1157 N GLU B 10 10.856 -8.914 -0.162 1.00 10.00 N ATOM 1158 CA GLU B 10 11.863 -8.020 -0.712 1.00 10.00 C ATOM 1159 C GLU B 10 13.123 -8.063 0.131 1.00 10.00 C ATOM 1160 O GLU B 10 13.058 -8.159 1.356 1.00 10.00 O ATOM 1161 CB GLU B 10 11.328 -6.588 -0.766 1.00 10.00 C ATOM 1162 CG GLU B 10 10.642 -6.229 -2.075 1.00 10.00 C ATOM 1163 CD GLU B 10 9.540 -7.201 -2.450 1.00 10.00 C ATOM 1164 OE1 GLU B 10 9.820 -8.166 -3.191 1.00 10.00 O ATOM 1165 OE2 GLU B 10 8.389 -7.002 -2.017 1.00 10.00 O ATOM 0 H GLU B 10 10.281 -8.498 0.570 1.00 10.00 H new ATOM 0 HA GLU B 10 12.101 -8.350 -1.723 1.00 10.00 H new ATOM 0 HB2 GLU B 10 10.623 -6.444 0.052 1.00 10.00 H new ATOM 0 HB3 GLU B 10 12.154 -5.897 -0.600 1.00 10.00 H new ATOM 0 HG2 GLU B 10 10.223 -5.226 -1.997 1.00 10.00 H new ATOM 0 HG3 GLU B 10 11.384 -6.203 -2.873 1.00 10.00 H new ATOM 1172 N GLU B 11 14.264 -8.002 -0.523 1.00 10.00 N ATOM 1173 CA GLU B 11 15.530 -8.018 0.175 1.00 10.00 C ATOM 1174 C GLU B 11 16.043 -6.588 0.311 1.00 10.00 C ATOM 1175 O GLU B 11 16.554 -6.012 -0.648 1.00 10.00 O ATOM 1176 CB GLU B 11 16.538 -8.889 -0.580 1.00 10.00 C ATOM 1177 CG GLU B 11 17.523 -9.604 0.331 1.00 10.00 C ATOM 1178 CD GLU B 11 16.840 -10.516 1.333 1.00 10.00 C ATOM 1179 OE1 GLU B 11 17.081 -10.353 2.548 1.00 10.00 O ATOM 1180 OE2 GLU B 11 16.059 -11.397 0.909 1.00 10.00 O ATOM 0 H GLU B 11 14.340 -7.941 -1.538 1.00 10.00 H new ATOM 0 HA GLU B 11 15.397 -8.444 1.169 1.00 10.00 H new ATOM 0 HB2 GLU B 11 15.997 -9.629 -1.169 1.00 10.00 H new ATOM 0 HB3 GLU B 11 17.091 -8.265 -1.282 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.213 -10.190 -0.276 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.119 -8.865 0.866 1.00 10.00 H new ATOM 1187 N TYR B 12 15.868 -6.005 1.493 1.00 10.00 N ATOM 1188 CA TYR B 12 16.302 -4.633 1.741 1.00 10.00 C ATOM 1189 C TYR B 12 17.817 -4.506 1.605 1.00 10.00 C ATOM 1190 O TYR B 12 18.562 -5.423 1.957 1.00 10.00 O ATOM 1191 CB TYR B 12 15.864 -4.170 3.135 1.00 10.00 C ATOM 1192 CG TYR B 12 15.755 -2.667 3.261 1.00 10.00 C ATOM 1193 CD1 TYR B 12 16.869 -1.894 3.552 1.00 10.00 C ATOM 1194 CD2 TYR B 12 14.537 -2.026 3.086 1.00 10.00 C ATOM 1195 CE1 TYR B 12 16.775 -0.523 3.663 1.00 10.00 C ATOM 1196 CE2 TYR B 12 14.432 -0.652 3.196 1.00 10.00 C ATOM 1197 CZ TYR B 12 15.557 0.094 3.486 1.00 10.00 C ATOM 1198 OH TYR B 12 15.467 1.463 3.592 1.00 10.00 O ATOM 0 H TYR B 12 15.429 -6.460 2.294 1.00 10.00 H new ATOM 0 HA TYR B 12 15.831 -3.995 0.993 1.00 10.00 H new ATOM 0 HB2 TYR B 12 14.899 -4.618 3.372 1.00 10.00 H new ATOM 0 HB3 TYR B 12 16.577 -4.538 3.873 1.00 10.00 H new ATOM 0 HD1 TYR B 12 17.826 -2.374 3.694 1.00 10.00 H new ATOM 0 HD2 TYR B 12 13.657 -2.610 2.860 1.00 10.00 H new ATOM 0 HE1 TYR B 12 17.653 0.064 3.888 1.00 10.00 H new ATOM 0 HE2 TYR B 12 13.478 -0.166 3.056 1.00 10.00 H new ATOM 0 HH TYR B 12 16.316 1.869 3.320 1.00 10.00 H new TER 1208 TYR B 12