USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 548 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 11 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 LYS NZ :NH3+ -175:sc= -1.46 (180deg=-1.58) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0627 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0538 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 151:sc= 0.603 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00572 USER MOD Single : A 17 TYR OH : rot 50:sc= -1.06 USER MOD Single : A 18 GLN : amide:sc= -4.39! C(o=-4.4!,f=-6.3!) USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= -1.34 (180deg=-2.25!) USER MOD Single : A 21 GLN : amide:sc= -0.951 K(o=-0.95,f=-2.9!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc=-0.00426 K(o=-0.0043,f=-0.65) USER MOD Single : A 39 GLN : amide:sc= -0.475 X(o=-0.47,f=-0.47) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -48:sc= 0.0178 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.0721 K(o=-0.072,f=-1.4) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 1.08 K(o=1.1,f=-0.089) USER MOD Single : A 67 GLN : amide:sc= -0.0321 X(o=-0.032,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0989 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -6:sc= 0.735 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.049 -12.536 14.494 1.00 0.00 N ATOM 2 CA GLY A 1 13.457 -12.564 14.845 1.00 0.00 C ATOM 3 C GLY A 1 13.692 -12.307 16.321 1.00 0.00 C ATOM 4 O GLY A 1 12.784 -12.463 17.137 1.00 0.00 O ATOM 0 H1 GLY A 1 11.811 -13.387 13.945 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.475 -12.511 15.361 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.850 -11.690 13.923 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.876 -13.534 14.577 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.989 -11.814 14.260 1.00 0.00 H new ATOM 8 N SER A 2 14.914 -11.913 16.664 1.00 0.00 N ATOM 9 CA SER A 2 15.267 -11.640 18.052 1.00 0.00 C ATOM 10 C SER A 2 14.171 -10.834 18.743 1.00 0.00 C ATOM 11 O SER A 2 13.740 -11.169 19.846 1.00 0.00 O ATOM 12 CB SER A 2 16.594 -10.882 18.123 1.00 0.00 C ATOM 13 OG SER A 2 16.987 -10.666 19.468 1.00 0.00 O ATOM 0 H SER A 2 15.676 -11.776 16.000 1.00 0.00 H new ATOM 0 HA SER A 2 15.373 -12.594 18.568 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.367 -11.446 17.601 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.497 -9.925 17.611 1.00 0.00 H new ATOM 0 HG SER A 2 17.839 -10.181 19.486 1.00 0.00 H new ATOM 19 N SER A 3 13.725 -9.768 18.085 1.00 0.00 N ATOM 20 CA SER A 3 12.682 -8.911 18.636 1.00 0.00 C ATOM 21 C SER A 3 12.186 -7.918 17.589 1.00 0.00 C ATOM 22 O SER A 3 12.876 -7.633 16.611 1.00 0.00 O ATOM 23 CB SER A 3 13.206 -8.158 19.861 1.00 0.00 C ATOM 24 OG SER A 3 12.211 -7.303 20.397 1.00 0.00 O ATOM 0 H SER A 3 14.070 -9.478 17.170 1.00 0.00 H new ATOM 0 HA SER A 3 11.847 -9.544 18.937 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.525 -8.871 20.621 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.083 -7.573 19.585 1.00 0.00 H new ATOM 0 HG SER A 3 12.569 -6.834 21.180 1.00 0.00 H new ATOM 30 N GLY A 4 10.983 -7.394 17.803 1.00 0.00 N ATOM 31 CA GLY A 4 10.413 -6.439 16.870 1.00 0.00 C ATOM 32 C GLY A 4 9.530 -7.100 15.831 1.00 0.00 C ATOM 33 O GLY A 4 9.990 -7.438 14.740 1.00 0.00 O ATOM 0 H GLY A 4 10.393 -7.614 18.606 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.830 -5.701 17.421 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.218 -5.901 16.369 1.00 0.00 H new ATOM 37 N SER A 5 8.259 -7.287 16.169 1.00 0.00 N ATOM 38 CA SER A 5 7.310 -7.917 15.258 1.00 0.00 C ATOM 39 C SER A 5 6.256 -6.917 14.793 1.00 0.00 C ATOM 40 O SER A 5 6.055 -6.723 13.594 1.00 0.00 O ATOM 41 CB SER A 5 6.633 -9.109 15.938 1.00 0.00 C ATOM 42 OG SER A 5 7.591 -10.058 16.376 1.00 0.00 O ATOM 0 H SER A 5 7.862 -7.011 17.067 1.00 0.00 H new ATOM 0 HA SER A 5 7.861 -8.269 14.386 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.046 -8.761 16.788 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.939 -9.582 15.243 1.00 0.00 H new ATOM 0 HG SER A 5 7.133 -10.809 16.809 1.00 0.00 H new ATOM 48 N SER A 6 5.587 -6.284 15.751 1.00 0.00 N ATOM 49 CA SER A 6 4.551 -5.306 15.441 1.00 0.00 C ATOM 50 C SER A 6 5.165 -3.947 15.119 1.00 0.00 C ATOM 51 O SER A 6 5.527 -3.188 16.018 1.00 0.00 O ATOM 52 CB SER A 6 3.578 -5.173 16.614 1.00 0.00 C ATOM 53 OG SER A 6 2.869 -6.382 16.828 1.00 0.00 O ATOM 0 H SER A 6 5.744 -6.431 16.748 1.00 0.00 H new ATOM 0 HA SER A 6 4.007 -5.656 14.564 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.126 -4.905 17.517 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.874 -4.365 16.417 1.00 0.00 H new ATOM 0 HG SER A 6 2.255 -6.272 17.584 1.00 0.00 H new ATOM 59 N GLY A 7 5.280 -3.647 13.829 1.00 0.00 N ATOM 60 CA GLY A 7 5.851 -2.380 13.410 1.00 0.00 C ATOM 61 C GLY A 7 5.375 -1.956 12.035 1.00 0.00 C ATOM 62 O GLY A 7 4.282 -1.410 11.890 1.00 0.00 O ATOM 0 H GLY A 7 4.988 -4.259 13.067 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.589 -1.610 14.135 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.938 -2.458 13.407 1.00 0.00 H new ATOM 66 N ALA A 8 6.198 -2.207 11.022 1.00 0.00 N ATOM 67 CA ALA A 8 5.854 -1.848 9.652 1.00 0.00 C ATOM 68 C ALA A 8 4.851 -2.833 9.061 1.00 0.00 C ATOM 69 O ALA A 8 4.516 -3.842 9.682 1.00 0.00 O ATOM 70 CB ALA A 8 7.108 -1.789 8.791 1.00 0.00 C ATOM 0 H ALA A 8 7.107 -2.657 11.125 1.00 0.00 H new ATOM 0 HA ALA A 8 5.390 -0.862 9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.836 -1.520 7.770 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.791 -1.041 9.194 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.596 -2.764 8.791 1.00 0.00 H new ATOM 76 N THR A 9 4.373 -2.533 7.857 1.00 0.00 N ATOM 77 CA THR A 9 3.407 -3.391 7.183 1.00 0.00 C ATOM 78 C THR A 9 3.812 -3.646 5.736 1.00 0.00 C ATOM 79 O THR A 9 4.220 -2.727 5.025 1.00 0.00 O ATOM 80 CB THR A 9 1.995 -2.775 7.208 1.00 0.00 C ATOM 81 OG1 THR A 9 1.527 -2.678 8.558 1.00 0.00 O ATOM 82 CG2 THR A 9 1.025 -3.612 6.388 1.00 0.00 C ATOM 0 H THR A 9 4.640 -1.702 7.329 1.00 0.00 H new ATOM 0 HA THR A 9 3.393 -4.337 7.725 1.00 0.00 H new ATOM 0 HB THR A 9 2.049 -1.778 6.770 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.630 -2.284 8.566 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.035 -3.158 6.421 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.369 -3.659 5.355 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.975 -4.620 6.800 1.00 0.00 H new ATOM 90 N SER A 10 3.697 -4.898 5.305 1.00 0.00 N ATOM 91 CA SER A 10 4.055 -5.273 3.942 1.00 0.00 C ATOM 92 C SER A 10 2.818 -5.328 3.051 1.00 0.00 C ATOM 93 O SER A 10 1.791 -5.894 3.428 1.00 0.00 O ATOM 94 CB SER A 10 4.763 -6.629 3.934 1.00 0.00 C ATOM 95 OG SER A 10 3.865 -7.676 4.259 1.00 0.00 O ATOM 0 H SER A 10 3.359 -5.670 5.880 1.00 0.00 H new ATOM 0 HA SER A 10 4.732 -4.515 3.548 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.197 -6.810 2.951 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.586 -6.617 4.648 1.00 0.00 H new ATOM 0 HG SER A 10 4.342 -8.532 4.245 1.00 0.00 H new ATOM 101 N TYR A 11 2.923 -4.735 1.867 1.00 0.00 N ATOM 102 CA TYR A 11 1.813 -4.713 0.922 1.00 0.00 C ATOM 103 C TYR A 11 2.156 -5.501 -0.339 1.00 0.00 C ATOM 104 O TYR A 11 3.302 -5.900 -0.543 1.00 0.00 O ATOM 105 CB TYR A 11 1.457 -3.272 0.555 1.00 0.00 C ATOM 106 CG TYR A 11 0.951 -2.457 1.724 1.00 0.00 C ATOM 107 CD1 TYR A 11 1.724 -2.288 2.866 1.00 0.00 C ATOM 108 CD2 TYR A 11 -0.300 -1.854 1.685 1.00 0.00 C ATOM 109 CE1 TYR A 11 1.265 -1.545 3.936 1.00 0.00 C ATOM 110 CE2 TYR A 11 -0.767 -1.108 2.750 1.00 0.00 C ATOM 111 CZ TYR A 11 0.019 -0.957 3.874 1.00 0.00 C ATOM 112 OH TYR A 11 -0.441 -0.215 4.937 1.00 0.00 O ATOM 0 H TYR A 11 3.766 -4.263 1.539 1.00 0.00 H new ATOM 0 HA TYR A 11 0.953 -5.182 1.400 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.338 -2.784 0.137 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.697 -3.282 -0.226 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.701 -2.746 2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.918 -1.970 0.807 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.879 -1.425 4.817 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.742 -0.646 2.703 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.335 0.131 4.732 1.00 0.00 H new ATOM 122 N MET A 12 1.152 -5.721 -1.182 1.00 0.00 N ATOM 123 CA MET A 12 1.346 -6.459 -2.425 1.00 0.00 C ATOM 124 C MET A 12 1.098 -5.563 -3.634 1.00 0.00 C ATOM 125 O MET A 12 0.070 -4.890 -3.721 1.00 0.00 O ATOM 126 CB MET A 12 0.415 -7.671 -2.473 1.00 0.00 C ATOM 127 CG MET A 12 0.322 -8.312 -3.849 1.00 0.00 C ATOM 128 SD MET A 12 1.938 -8.729 -4.532 1.00 0.00 S ATOM 129 CE MET A 12 2.079 -10.446 -4.042 1.00 0.00 C ATOM 0 H MET A 12 0.197 -5.399 -1.027 1.00 0.00 H new ATOM 0 HA MET A 12 2.380 -6.803 -2.457 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.764 -8.415 -1.757 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.582 -7.366 -2.155 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.285 -9.215 -3.784 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.191 -7.631 -4.529 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.030 -10.848 -4.393 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.033 -10.519 -2.955 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.260 -11.018 -4.479 1.00 0.00 H new ATOM 139 N THR A 13 2.046 -5.558 -4.566 1.00 0.00 N ATOM 140 CA THR A 13 1.930 -4.744 -5.770 1.00 0.00 C ATOM 141 C THR A 13 0.938 -5.354 -6.753 1.00 0.00 C ATOM 142 O THR A 13 1.094 -6.500 -7.176 1.00 0.00 O ATOM 143 CB THR A 13 3.292 -4.578 -6.469 1.00 0.00 C ATOM 144 OG1 THR A 13 3.730 -5.836 -6.993 1.00 0.00 O ATOM 145 CG2 THR A 13 4.334 -4.035 -5.502 1.00 0.00 C ATOM 0 H THR A 13 2.903 -6.109 -4.510 1.00 0.00 H new ATOM 0 HA THR A 13 1.570 -3.765 -5.456 1.00 0.00 H new ATOM 0 HB THR A 13 3.172 -3.867 -7.286 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.296 -5.684 -7.779 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.288 -3.926 -6.018 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.011 -3.064 -5.127 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.450 -4.726 -4.667 1.00 0.00 H new ATOM 153 N CYS A 14 -0.082 -4.582 -7.113 1.00 0.00 N ATOM 154 CA CYS A 14 -1.100 -5.047 -8.047 1.00 0.00 C ATOM 155 C CYS A 14 -0.665 -4.807 -9.489 1.00 0.00 C ATOM 156 O CYS A 14 -1.124 -5.487 -10.408 1.00 0.00 O ATOM 157 CB CYS A 14 -2.430 -4.340 -7.779 1.00 0.00 C ATOM 158 SG CYS A 14 -3.880 -5.249 -8.362 1.00 0.00 S ATOM 0 H CYS A 14 -0.225 -3.631 -6.772 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.230 -6.119 -7.899 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.529 -4.169 -6.707 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.412 -3.361 -8.258 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.956 -4.572 -8.088 1.00 0.00 H new ATOM 164 N SER A 15 0.221 -3.835 -9.681 1.00 0.00 N ATOM 165 CA SER A 15 0.714 -3.502 -11.012 1.00 0.00 C ATOM 166 C SER A 15 2.172 -3.055 -10.955 1.00 0.00 C ATOM 167 O SER A 15 2.750 -2.922 -9.877 1.00 0.00 O ATOM 168 CB SER A 15 -0.145 -2.400 -11.636 1.00 0.00 C ATOM 169 OG SER A 15 0.046 -2.338 -13.039 1.00 0.00 O ATOM 0 H SER A 15 0.612 -3.264 -8.931 1.00 0.00 H new ATOM 0 HA SER A 15 0.650 -4.397 -11.631 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.196 -2.586 -11.417 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.109 -1.439 -11.188 1.00 0.00 H new ATOM 0 HG SER A 15 -0.515 -1.627 -13.414 1.00 0.00 H new ATOM 175 N ALA A 16 2.760 -2.826 -12.125 1.00 0.00 N ATOM 176 CA ALA A 16 4.149 -2.393 -12.210 1.00 0.00 C ATOM 177 C ALA A 16 4.256 -0.874 -12.129 1.00 0.00 C ATOM 178 O ALA A 16 3.717 -0.158 -12.973 1.00 0.00 O ATOM 179 CB ALA A 16 4.782 -2.900 -13.497 1.00 0.00 C ATOM 0 H ALA A 16 2.296 -2.933 -13.027 1.00 0.00 H new ATOM 0 HA ALA A 16 4.688 -2.815 -11.362 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.819 -2.569 -13.547 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.747 -3.989 -13.515 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.234 -2.505 -14.352 1.00 0.00 H new ATOM 185 N TYR A 17 4.953 -0.388 -11.107 1.00 0.00 N ATOM 186 CA TYR A 17 5.127 1.047 -10.914 1.00 0.00 C ATOM 187 C TYR A 17 6.373 1.546 -11.639 1.00 0.00 C ATOM 188 O TYR A 17 7.434 0.926 -11.572 1.00 0.00 O ATOM 189 CB TYR A 17 5.226 1.374 -9.423 1.00 0.00 C ATOM 190 CG TYR A 17 5.826 2.732 -9.140 1.00 0.00 C ATOM 191 CD1 TYR A 17 7.201 2.897 -9.031 1.00 0.00 C ATOM 192 CD2 TYR A 17 5.017 3.851 -8.982 1.00 0.00 C ATOM 193 CE1 TYR A 17 7.753 4.137 -8.771 1.00 0.00 C ATOM 194 CE2 TYR A 17 5.561 5.095 -8.724 1.00 0.00 C ATOM 195 CZ TYR A 17 6.929 5.232 -8.618 1.00 0.00 C ATOM 196 OH TYR A 17 7.475 6.469 -8.361 1.00 0.00 O ATOM 0 H TYR A 17 5.406 -0.967 -10.400 1.00 0.00 H new ATOM 0 HA TYR A 17 4.257 1.553 -11.333 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.230 1.327 -8.982 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.828 0.610 -8.931 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.850 2.042 -9.151 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.945 3.747 -9.062 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.824 4.248 -8.688 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.918 5.955 -8.606 1.00 0.00 H new ATOM 0 HH TYR A 17 8.185 6.654 -9.010 1.00 0.00 H new ATOM 206 N GLN A 18 6.235 2.672 -12.332 1.00 0.00 N ATOM 207 CA GLN A 18 7.349 3.256 -13.070 1.00 0.00 C ATOM 208 C GLN A 18 8.004 4.377 -12.270 1.00 0.00 C ATOM 209 O GLN A 18 7.349 5.348 -11.891 1.00 0.00 O ATOM 210 CB GLN A 18 6.870 3.789 -14.421 1.00 0.00 C ATOM 211 CG GLN A 18 7.994 4.303 -15.306 1.00 0.00 C ATOM 212 CD GLN A 18 8.373 5.738 -14.994 1.00 0.00 C ATOM 213 OE1 GLN A 18 7.838 6.346 -14.066 1.00 0.00 O ATOM 214 NE2 GLN A 18 9.301 6.287 -15.769 1.00 0.00 N ATOM 0 H GLN A 18 5.363 3.198 -12.398 1.00 0.00 H new ATOM 0 HA GLN A 18 8.090 2.474 -13.238 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.338 2.996 -14.947 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.155 4.594 -14.252 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.869 3.665 -15.183 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.691 4.230 -16.351 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.718 5.746 -16.527 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.597 7.249 -15.606 1.00 0.00 H new ATOM 223 N LYS A 19 9.301 4.237 -12.016 1.00 0.00 N ATOM 224 CA LYS A 19 10.046 5.238 -11.262 1.00 0.00 C ATOM 225 C LYS A 19 10.468 6.394 -12.163 1.00 0.00 C ATOM 226 O LYS A 19 10.617 6.229 -13.373 1.00 0.00 O ATOM 227 CB LYS A 19 11.280 4.604 -10.616 1.00 0.00 C ATOM 228 CG LYS A 19 12.276 4.050 -11.620 1.00 0.00 C ATOM 229 CD LYS A 19 13.696 4.094 -11.080 1.00 0.00 C ATOM 230 CE LYS A 19 14.280 5.496 -11.163 1.00 0.00 C ATOM 231 NZ LYS A 19 15.694 5.536 -10.700 1.00 0.00 N ATOM 0 H LYS A 19 9.858 3.439 -12.322 1.00 0.00 H new ATOM 0 HA LYS A 19 9.394 5.629 -10.481 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.778 5.349 -9.996 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.960 3.800 -9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.011 3.022 -11.867 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.220 4.624 -12.545 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.703 3.756 -10.044 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.323 3.404 -11.644 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.225 5.852 -12.192 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.680 6.176 -10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.163 6.380 -11.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.718 5.573 -9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.191 4.683 -11.027 1.00 0.00 H new ATOM 245 N VAL A 20 10.660 7.565 -11.563 1.00 0.00 N ATOM 246 CA VAL A 20 11.068 8.749 -12.311 1.00 0.00 C ATOM 247 C VAL A 20 12.388 9.302 -11.787 1.00 0.00 C ATOM 248 O VAL A 20 13.286 9.628 -12.563 1.00 0.00 O ATOM 249 CB VAL A 20 9.997 9.854 -12.239 1.00 0.00 C ATOM 250 CG1 VAL A 20 9.680 10.198 -10.792 1.00 0.00 C ATOM 251 CG2 VAL A 20 10.454 11.088 -13.002 1.00 0.00 C ATOM 0 H VAL A 20 10.540 7.719 -10.562 1.00 0.00 H new ATOM 0 HA VAL A 20 11.193 8.441 -13.349 1.00 0.00 H new ATOM 0 HB VAL A 20 9.085 9.483 -12.706 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.922 10.980 -10.762 1.00 0.00 H new ATOM 0 HG12 VAL A 20 9.307 9.311 -10.280 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.584 10.550 -10.295 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.686 11.859 -12.941 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.380 11.463 -12.566 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.624 10.828 -14.047 1.00 0.00 H new ATOM 261 N GLN A 21 12.499 9.404 -10.467 1.00 0.00 N ATOM 262 CA GLN A 21 13.711 9.918 -9.839 1.00 0.00 C ATOM 263 C GLN A 21 14.579 8.778 -9.317 1.00 0.00 C ATOM 264 O GLN A 21 14.076 7.705 -8.981 1.00 0.00 O ATOM 265 CB GLN A 21 13.354 10.869 -8.696 1.00 0.00 C ATOM 266 CG GLN A 21 12.877 12.233 -9.165 1.00 0.00 C ATOM 267 CD GLN A 21 13.906 12.950 -10.017 1.00 0.00 C ATOM 268 OE1 GLN A 21 15.057 12.524 -10.111 1.00 0.00 O ATOM 269 NE2 GLN A 21 13.495 14.046 -10.645 1.00 0.00 N ATOM 0 H GLN A 21 11.765 9.138 -9.811 1.00 0.00 H new ATOM 0 HA GLN A 21 14.277 10.465 -10.593 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.576 10.412 -8.084 1.00 0.00 H new ATOM 0 HB3 GLN A 21 14.227 10.999 -8.057 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.956 12.115 -9.736 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.637 12.848 -8.298 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.532 14.364 -10.539 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.143 14.570 -11.233 1.00 0.00 H new ATOM 278 N ASP A 22 15.884 9.017 -9.251 1.00 0.00 N ATOM 279 CA ASP A 22 16.822 8.010 -8.768 1.00 0.00 C ATOM 280 C ASP A 22 16.382 7.462 -7.415 1.00 0.00 C ATOM 281 O ASP A 22 16.636 6.301 -7.092 1.00 0.00 O ATOM 282 CB ASP A 22 18.228 8.603 -8.660 1.00 0.00 C ATOM 283 CG ASP A 22 18.276 9.815 -7.750 1.00 0.00 C ATOM 284 OD1 ASP A 22 18.358 9.630 -6.518 1.00 0.00 O ATOM 285 OD2 ASP A 22 18.234 10.949 -8.271 1.00 0.00 O ATOM 0 H ASP A 22 16.316 9.899 -9.526 1.00 0.00 H new ATOM 0 HA ASP A 22 16.836 7.189 -9.484 1.00 0.00 H new ATOM 0 HB2 ASP A 22 18.912 7.842 -8.284 1.00 0.00 H new ATOM 0 HB3 ASP A 22 18.578 8.884 -9.653 1.00 0.00 H new ATOM 290 N SER A 23 15.722 8.304 -6.627 1.00 0.00 N ATOM 291 CA SER A 23 15.251 7.905 -5.306 1.00 0.00 C ATOM 292 C SER A 23 14.188 6.816 -5.414 1.00 0.00 C ATOM 293 O SER A 23 14.246 5.806 -4.714 1.00 0.00 O ATOM 294 CB SER A 23 14.684 9.113 -4.557 1.00 0.00 C ATOM 295 OG SER A 23 15.712 10.023 -4.205 1.00 0.00 O ATOM 0 H SER A 23 15.501 9.267 -6.880 1.00 0.00 H new ATOM 0 HA SER A 23 16.100 7.507 -4.750 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.945 9.617 -5.180 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.167 8.778 -3.658 1.00 0.00 H new ATOM 0 HG SER A 23 15.324 10.787 -3.729 1.00 0.00 H new ATOM 301 N GLU A 24 13.218 7.030 -6.297 1.00 0.00 N ATOM 302 CA GLU A 24 12.141 6.067 -6.497 1.00 0.00 C ATOM 303 C GLU A 24 12.668 4.787 -7.139 1.00 0.00 C ATOM 304 O GLU A 24 13.790 4.751 -7.647 1.00 0.00 O ATOM 305 CB GLU A 24 11.040 6.673 -7.370 1.00 0.00 C ATOM 306 CG GLU A 24 10.304 7.826 -6.708 1.00 0.00 C ATOM 307 CD GLU A 24 9.731 8.805 -7.714 1.00 0.00 C ATOM 308 OE1 GLU A 24 10.476 9.705 -8.156 1.00 0.00 O ATOM 309 OE2 GLU A 24 8.538 8.673 -8.058 1.00 0.00 O ATOM 0 H GLU A 24 13.156 7.861 -6.885 1.00 0.00 H new ATOM 0 HA GLU A 24 11.725 5.819 -5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.480 7.022 -8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.322 5.894 -7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.497 7.431 -6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.986 8.353 -6.041 1.00 0.00 H new ATOM 316 N ILE A 25 11.852 3.739 -7.112 1.00 0.00 N ATOM 317 CA ILE A 25 12.235 2.458 -7.691 1.00 0.00 C ATOM 318 C ILE A 25 11.047 1.783 -8.367 1.00 0.00 C ATOM 319 O ILE A 25 9.916 1.868 -7.888 1.00 0.00 O ATOM 320 CB ILE A 25 12.813 1.508 -6.625 1.00 0.00 C ATOM 321 CG1 ILE A 25 12.687 0.054 -7.084 1.00 0.00 C ATOM 322 CG2 ILE A 25 12.105 1.712 -5.294 1.00 0.00 C ATOM 323 CD1 ILE A 25 11.336 -0.558 -6.787 1.00 0.00 C ATOM 0 H ILE A 25 10.921 3.752 -6.695 1.00 0.00 H new ATOM 0 HA ILE A 25 13.004 2.666 -8.435 1.00 0.00 H new ATOM 0 HB ILE A 25 13.870 1.737 -6.491 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.872 0.003 -8.157 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.461 -0.540 -6.598 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.524 1.034 -4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.241 2.742 -4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.041 1.507 -5.413 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.318 -1.589 -7.140 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.156 -0.539 -5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.559 0.013 -7.295 1.00 0.00 H new ATOM 335 N SER A 26 11.311 1.110 -9.483 1.00 0.00 N ATOM 336 CA SER A 26 10.263 0.421 -10.226 1.00 0.00 C ATOM 337 C SER A 26 10.213 -1.057 -9.852 1.00 0.00 C ATOM 338 O SER A 26 11.247 -1.717 -9.745 1.00 0.00 O ATOM 339 CB SER A 26 10.494 0.570 -11.731 1.00 0.00 C ATOM 340 OG SER A 26 11.801 0.158 -12.090 1.00 0.00 O ATOM 0 H SER A 26 12.242 1.028 -9.892 1.00 0.00 H new ATOM 0 HA SER A 26 9.308 0.876 -9.965 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.760 -0.024 -12.275 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.344 1.609 -12.024 1.00 0.00 H new ATOM 0 HG SER A 26 11.923 0.261 -13.057 1.00 0.00 H new ATOM 346 N PHE A 27 9.003 -1.571 -9.655 1.00 0.00 N ATOM 347 CA PHE A 27 8.817 -2.971 -9.291 1.00 0.00 C ATOM 348 C PHE A 27 7.750 -3.622 -10.166 1.00 0.00 C ATOM 349 O PHE A 27 6.788 -2.985 -10.594 1.00 0.00 O ATOM 350 CB PHE A 27 8.426 -3.089 -7.817 1.00 0.00 C ATOM 351 CG PHE A 27 7.353 -2.123 -7.402 1.00 0.00 C ATOM 352 CD1 PHE A 27 6.017 -2.414 -7.622 1.00 0.00 C ATOM 353 CD2 PHE A 27 7.682 -0.923 -6.792 1.00 0.00 C ATOM 354 CE1 PHE A 27 5.027 -1.527 -7.242 1.00 0.00 C ATOM 355 CE2 PHE A 27 6.697 -0.033 -6.408 1.00 0.00 C ATOM 356 CZ PHE A 27 5.368 -0.334 -6.635 1.00 0.00 C ATOM 0 H PHE A 27 8.137 -1.039 -9.741 1.00 0.00 H new ATOM 0 HA PHE A 27 9.761 -3.491 -9.451 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.085 -4.105 -7.620 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.310 -2.925 -7.201 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.745 -3.345 -8.096 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.719 -0.681 -6.615 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.989 -1.766 -7.419 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.966 0.898 -5.931 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.597 0.362 -6.338 1.00 0.00 H new ATOM 366 N PRO A 28 7.924 -4.924 -10.439 1.00 0.00 N ATOM 367 CA PRO A 28 6.987 -5.691 -11.266 1.00 0.00 C ATOM 368 C PRO A 28 5.650 -5.916 -10.569 1.00 0.00 C ATOM 369 O PRO A 28 5.480 -5.564 -9.402 1.00 0.00 O ATOM 370 CB PRO A 28 7.710 -7.024 -11.477 1.00 0.00 C ATOM 371 CG PRO A 28 8.625 -7.148 -10.308 1.00 0.00 C ATOM 372 CD PRO A 28 9.048 -5.747 -9.962 1.00 0.00 C ATOM 0 HA PRO A 28 6.741 -5.172 -12.192 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.005 -7.854 -11.518 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.264 -7.030 -12.416 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.120 -7.622 -9.466 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.488 -7.767 -10.552 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.207 -5.628 -8.890 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.982 -5.476 -10.454 1.00 0.00 H new ATOM 380 N ALA A 29 4.703 -6.504 -11.292 1.00 0.00 N ATOM 381 CA ALA A 29 3.381 -6.778 -10.742 1.00 0.00 C ATOM 382 C ALA A 29 3.280 -8.215 -10.243 1.00 0.00 C ATOM 383 O ALA A 29 3.027 -9.136 -11.019 1.00 0.00 O ATOM 384 CB ALA A 29 2.308 -6.503 -11.785 1.00 0.00 C ATOM 0 H ALA A 29 4.827 -6.800 -12.260 1.00 0.00 H new ATOM 0 HA ALA A 29 3.225 -6.114 -9.892 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.326 -6.712 -11.361 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.357 -5.458 -12.090 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.472 -7.142 -12.653 1.00 0.00 H new ATOM 390 N GLY A 30 3.482 -8.401 -8.942 1.00 0.00 N ATOM 391 CA GLY A 30 3.411 -9.729 -8.362 1.00 0.00 C ATOM 392 C GLY A 30 4.492 -9.969 -7.327 1.00 0.00 C ATOM 393 O GLY A 30 4.983 -11.089 -7.180 1.00 0.00 O ATOM 0 H GLY A 30 3.694 -7.655 -8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.433 -9.869 -7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.499 -10.473 -9.154 1.00 0.00 H new ATOM 397 N VAL A 31 4.867 -8.915 -6.610 1.00 0.00 N ATOM 398 CA VAL A 31 5.898 -9.016 -5.584 1.00 0.00 C ATOM 399 C VAL A 31 5.469 -8.311 -4.302 1.00 0.00 C ATOM 400 O VAL A 31 4.629 -7.412 -4.328 1.00 0.00 O ATOM 401 CB VAL A 31 7.231 -8.413 -6.067 1.00 0.00 C ATOM 402 CG1 VAL A 31 7.943 -9.375 -7.005 1.00 0.00 C ATOM 403 CG2 VAL A 31 6.994 -7.072 -6.744 1.00 0.00 C ATOM 0 H VAL A 31 4.472 -7.981 -6.721 1.00 0.00 H new ATOM 0 HA VAL A 31 6.040 -10.078 -5.381 1.00 0.00 H new ATOM 0 HB VAL A 31 7.871 -8.248 -5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.882 -8.932 -7.336 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.147 -10.309 -6.482 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.311 -9.574 -7.870 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.946 -6.660 -7.079 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.336 -7.209 -7.602 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.530 -6.384 -6.037 1.00 0.00 H new ATOM 413 N GLU A 32 6.052 -8.725 -3.182 1.00 0.00 N ATOM 414 CA GLU A 32 5.729 -8.133 -1.889 1.00 0.00 C ATOM 415 C GLU A 32 6.735 -7.045 -1.522 1.00 0.00 C ATOM 416 O GLU A 32 7.933 -7.184 -1.768 1.00 0.00 O ATOM 417 CB GLU A 32 5.706 -9.209 -0.801 1.00 0.00 C ATOM 418 CG GLU A 32 5.500 -8.655 0.598 1.00 0.00 C ATOM 419 CD GLU A 32 5.325 -9.746 1.637 1.00 0.00 C ATOM 420 OE1 GLU A 32 4.296 -10.453 1.586 1.00 0.00 O ATOM 421 OE2 GLU A 32 6.214 -9.892 2.501 1.00 0.00 O ATOM 0 H GLU A 32 6.750 -9.468 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 32 4.740 -7.680 -1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.910 -9.920 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.645 -9.762 -0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.354 -8.034 0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.622 -8.009 0.603 1.00 0.00 H new ATOM 428 N VAL A 33 6.237 -5.962 -0.934 1.00 0.00 N ATOM 429 CA VAL A 33 7.091 -4.850 -0.532 1.00 0.00 C ATOM 430 C VAL A 33 6.690 -4.317 0.838 1.00 0.00 C ATOM 431 O VAL A 33 5.543 -4.459 1.259 1.00 0.00 O ATOM 432 CB VAL A 33 7.033 -3.700 -1.556 1.00 0.00 C ATOM 433 CG1 VAL A 33 7.695 -4.114 -2.861 1.00 0.00 C ATOM 434 CG2 VAL A 33 5.593 -3.269 -1.791 1.00 0.00 C ATOM 0 H VAL A 33 5.247 -5.831 -0.725 1.00 0.00 H new ATOM 0 HA VAL A 33 8.110 -5.234 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 33 7.581 -2.849 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.645 -3.289 -3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.738 -4.369 -2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.177 -4.980 -3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.570 -2.456 -2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.018 -4.113 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.157 -2.929 -0.852 1.00 0.00 H new ATOM 444 N GLN A 34 7.644 -3.702 1.530 1.00 0.00 N ATOM 445 CA GLN A 34 7.390 -3.147 2.854 1.00 0.00 C ATOM 446 C GLN A 34 7.133 -1.646 2.775 1.00 0.00 C ATOM 447 O GLN A 34 7.513 -0.991 1.805 1.00 0.00 O ATOM 448 CB GLN A 34 8.574 -3.425 3.783 1.00 0.00 C ATOM 449 CG GLN A 34 8.497 -4.775 4.478 1.00 0.00 C ATOM 450 CD GLN A 34 8.963 -5.914 3.594 1.00 0.00 C ATOM 451 OE1 GLN A 34 8.174 -6.775 3.203 1.00 0.00 O ATOM 452 NE2 GLN A 34 10.252 -5.927 3.274 1.00 0.00 N ATOM 0 H GLN A 34 8.599 -3.576 1.196 1.00 0.00 H new ATOM 0 HA GLN A 34 6.500 -3.629 3.257 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.498 -3.375 3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.626 -2.640 4.537 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.106 -4.749 5.382 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.469 -4.960 4.791 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.871 -5.194 3.620 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.623 -6.670 2.682 1.00 0.00 H new ATOM 461 N VAL A 35 6.484 -1.107 3.803 1.00 0.00 N ATOM 462 CA VAL A 35 6.176 0.318 3.850 1.00 0.00 C ATOM 463 C VAL A 35 6.800 0.974 5.077 1.00 0.00 C ATOM 464 O VAL A 35 6.336 0.781 6.201 1.00 0.00 O ATOM 465 CB VAL A 35 4.656 0.563 3.868 1.00 0.00 C ATOM 466 CG1 VAL A 35 4.355 2.034 4.110 1.00 0.00 C ATOM 467 CG2 VAL A 35 4.025 0.088 2.567 1.00 0.00 C ATOM 0 H VAL A 35 6.162 -1.635 4.614 1.00 0.00 H new ATOM 0 HA VAL A 35 6.598 0.763 2.949 1.00 0.00 H new ATOM 0 HB VAL A 35 4.222 -0.011 4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.276 2.188 4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.773 2.338 5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.800 2.632 3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.950 0.269 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.462 0.633 1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.210 -0.979 2.441 1.00 0.00 H new ATOM 477 N LEU A 36 7.854 1.751 4.853 1.00 0.00 N ATOM 478 CA LEU A 36 8.543 2.438 5.940 1.00 0.00 C ATOM 479 C LEU A 36 7.752 3.659 6.400 1.00 0.00 C ATOM 480 O LEU A 36 7.349 3.748 7.559 1.00 0.00 O ATOM 481 CB LEU A 36 9.944 2.862 5.495 1.00 0.00 C ATOM 482 CG LEU A 36 10.780 1.788 4.799 1.00 0.00 C ATOM 483 CD1 LEU A 36 12.032 2.400 4.188 1.00 0.00 C ATOM 484 CD2 LEU A 36 11.148 0.681 5.776 1.00 0.00 C ATOM 0 H LEU A 36 8.250 1.921 3.929 1.00 0.00 H new ATOM 0 HA LEU A 36 8.629 1.746 6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.847 3.713 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.492 3.210 6.371 1.00 0.00 H new ATOM 0 HG LEU A 36 10.183 1.353 3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.615 1.621 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.747 3.156 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.631 2.862 4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.743 -0.074 5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.726 1.100 6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.239 0.223 6.166 1.00 0.00 H new ATOM 496 N GLU A 37 7.532 4.596 5.483 1.00 0.00 N ATOM 497 CA GLU A 37 6.788 5.810 5.795 1.00 0.00 C ATOM 498 C GLU A 37 5.612 5.989 4.840 1.00 0.00 C ATOM 499 O GLU A 37 5.661 5.556 3.688 1.00 0.00 O ATOM 500 CB GLU A 37 7.707 7.031 5.723 1.00 0.00 C ATOM 501 CG GLU A 37 7.269 8.177 6.620 1.00 0.00 C ATOM 502 CD GLU A 37 8.323 9.260 6.739 1.00 0.00 C ATOM 503 OE1 GLU A 37 9.279 9.074 7.520 1.00 0.00 O ATOM 504 OE2 GLU A 37 8.192 10.295 6.052 1.00 0.00 O ATOM 0 H GLU A 37 7.858 4.537 4.518 1.00 0.00 H new ATOM 0 HA GLU A 37 6.399 5.716 6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.718 6.731 5.999 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.749 7.383 4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.350 8.611 6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.038 7.789 7.612 1.00 0.00 H new ATOM 511 N LYS A 38 4.554 6.628 5.326 1.00 0.00 N ATOM 512 CA LYS A 38 3.364 6.866 4.518 1.00 0.00 C ATOM 513 C LYS A 38 2.866 8.297 4.690 1.00 0.00 C ATOM 514 O LYS A 38 2.580 8.734 5.804 1.00 0.00 O ATOM 515 CB LYS A 38 2.257 5.880 4.900 1.00 0.00 C ATOM 516 CG LYS A 38 2.568 4.441 4.524 1.00 0.00 C ATOM 517 CD LYS A 38 1.299 3.620 4.367 1.00 0.00 C ATOM 518 CE LYS A 38 0.897 2.960 5.677 1.00 0.00 C ATOM 519 NZ LYS A 38 1.942 2.019 6.168 1.00 0.00 N ATOM 0 H LYS A 38 4.496 6.991 6.277 1.00 0.00 H new ATOM 0 HA LYS A 38 3.631 6.716 3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.086 5.937 5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.329 6.182 4.413 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.133 4.421 3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.201 3.992 5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.490 4.262 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.451 2.856 3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.717 3.727 6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.041 2.422 5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.595 1.527 7.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.157 1.322 5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.804 2.550 6.404 1.00 0.00 H new ATOM 533 N GLN A 39 2.763 9.021 3.579 1.00 0.00 N ATOM 534 CA GLN A 39 2.299 10.402 3.609 1.00 0.00 C ATOM 535 C GLN A 39 0.797 10.477 3.353 1.00 0.00 C ATOM 536 O GLN A 39 0.269 9.772 2.495 1.00 0.00 O ATOM 537 CB GLN A 39 3.047 11.237 2.568 1.00 0.00 C ATOM 538 CG GLN A 39 4.402 11.732 3.046 1.00 0.00 C ATOM 539 CD GLN A 39 4.350 12.316 4.444 1.00 0.00 C ATOM 540 OE1 GLN A 39 4.901 11.748 5.388 1.00 0.00 O ATOM 541 NE2 GLN A 39 3.686 13.457 4.585 1.00 0.00 N ATOM 0 H GLN A 39 2.995 8.674 2.648 1.00 0.00 H new ATOM 0 HA GLN A 39 2.501 10.805 4.601 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.185 10.640 1.666 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.433 12.094 2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.113 10.906 3.028 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.773 12.488 2.354 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.244 13.893 3.776 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.618 13.897 5.503 1.00 0.00 H new ATOM 550 N GLU A 40 0.116 11.336 4.105 1.00 0.00 N ATOM 551 CA GLU A 40 -1.326 11.501 3.960 1.00 0.00 C ATOM 552 C GLU A 40 -1.710 11.663 2.492 1.00 0.00 C ATOM 553 O GLU A 40 -2.734 11.146 2.047 1.00 0.00 O ATOM 554 CB GLU A 40 -1.806 12.714 4.761 1.00 0.00 C ATOM 555 CG GLU A 40 -2.046 12.416 6.231 1.00 0.00 C ATOM 556 CD GLU A 40 -0.756 12.274 7.016 1.00 0.00 C ATOM 557 OE1 GLU A 40 -0.074 13.299 7.226 1.00 0.00 O ATOM 558 OE2 GLU A 40 -0.429 11.138 7.419 1.00 0.00 O ATOM 0 H GLU A 40 0.539 11.928 4.820 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.809 10.604 4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.067 13.510 4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.730 13.088 4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.646 13.215 6.667 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.625 11.497 6.322 1.00 0.00 H new ATOM 565 N SER A 41 -0.880 12.385 1.746 1.00 0.00 N ATOM 566 CA SER A 41 -1.134 12.619 0.329 1.00 0.00 C ATOM 567 C SER A 41 -1.468 11.314 -0.386 1.00 0.00 C ATOM 568 O SER A 41 -2.544 11.167 -0.965 1.00 0.00 O ATOM 569 CB SER A 41 0.082 13.276 -0.327 1.00 0.00 C ATOM 570 OG SER A 41 0.343 14.548 0.241 1.00 0.00 O ATOM 0 H SER A 41 -0.026 12.818 2.099 1.00 0.00 H new ATOM 0 HA SER A 41 -1.990 13.289 0.245 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.955 12.634 -0.207 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.091 13.381 -1.398 1.00 0.00 H new ATOM 0 HG SER A 41 1.126 14.946 -0.194 1.00 0.00 H new ATOM 576 N GLY A 42 -0.537 10.366 -0.341 1.00 0.00 N ATOM 577 CA GLY A 42 -0.750 9.084 -0.988 1.00 0.00 C ATOM 578 C GLY A 42 0.548 8.353 -1.268 1.00 0.00 C ATOM 579 O GLY A 42 0.597 7.124 -1.224 1.00 0.00 O ATOM 0 H GLY A 42 0.361 10.463 0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.384 8.463 -0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.286 9.238 -1.925 1.00 0.00 H new ATOM 583 N TRP A 43 1.600 9.109 -1.559 1.00 0.00 N ATOM 584 CA TRP A 43 2.904 8.525 -1.849 1.00 0.00 C ATOM 585 C TRP A 43 3.522 7.920 -0.593 1.00 0.00 C ATOM 586 O TRP A 43 3.785 8.625 0.381 1.00 0.00 O ATOM 587 CB TRP A 43 3.841 9.583 -2.435 1.00 0.00 C ATOM 588 CG TRP A 43 3.496 9.968 -3.841 1.00 0.00 C ATOM 589 CD1 TRP A 43 2.641 10.958 -4.233 1.00 0.00 C ATOM 590 CD2 TRP A 43 3.998 9.370 -5.041 1.00 0.00 C ATOM 591 NE1 TRP A 43 2.580 11.011 -5.605 1.00 0.00 N ATOM 592 CE2 TRP A 43 3.404 10.048 -6.124 1.00 0.00 C ATOM 593 CE3 TRP A 43 4.892 8.329 -5.307 1.00 0.00 C ATOM 594 CZ2 TRP A 43 3.676 9.716 -7.449 1.00 0.00 C ATOM 595 CZ3 TRP A 43 5.160 8.001 -6.622 1.00 0.00 C ATOM 596 CH2 TRP A 43 4.555 8.693 -7.680 1.00 0.00 C ATOM 0 H TRP A 43 1.576 10.128 -1.600 1.00 0.00 H new ATOM 0 HA TRP A 43 2.763 7.729 -2.581 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.813 10.472 -1.805 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.864 9.207 -2.409 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.093 11.604 -3.563 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.013 11.662 -6.148 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.365 7.791 -4.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.210 10.247 -8.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.848 7.197 -6.839 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.787 8.414 -8.697 1.00 0.00 H new ATOM 607 N TRP A 44 3.751 6.612 -0.623 1.00 0.00 N ATOM 608 CA TRP A 44 4.338 5.914 0.515 1.00 0.00 C ATOM 609 C TRP A 44 5.739 5.414 0.182 1.00 0.00 C ATOM 610 O TRP A 44 6.007 4.991 -0.943 1.00 0.00 O ATOM 611 CB TRP A 44 3.450 4.740 0.933 1.00 0.00 C ATOM 612 CG TRP A 44 2.068 5.156 1.337 1.00 0.00 C ATOM 613 CD1 TRP A 44 1.639 6.424 1.603 1.00 0.00 C ATOM 614 CD2 TRP A 44 0.936 4.299 1.523 1.00 0.00 C ATOM 615 NE1 TRP A 44 0.307 6.408 1.943 1.00 0.00 N ATOM 616 CE2 TRP A 44 -0.147 5.117 1.901 1.00 0.00 C ATOM 617 CE3 TRP A 44 0.731 2.922 1.405 1.00 0.00 C ATOM 618 CZ2 TRP A 44 -1.414 4.600 2.161 1.00 0.00 C ATOM 619 CZ3 TRP A 44 -0.527 2.411 1.664 1.00 0.00 C ATOM 620 CH2 TRP A 44 -1.586 3.248 2.038 1.00 0.00 C ATOM 0 H TRP A 44 3.539 6.014 -1.422 1.00 0.00 H new ATOM 0 HA TRP A 44 4.411 6.618 1.344 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.382 4.033 0.106 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.921 4.215 1.764 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.255 7.310 1.554 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.252 7.225 2.187 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.541 2.268 1.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.232 5.244 2.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.696 1.348 1.576 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.557 2.818 2.233 1.00 0.00 H new ATOM 631 N TYR A 45 6.630 5.464 1.167 1.00 0.00 N ATOM 632 CA TYR A 45 8.005 5.018 0.977 1.00 0.00 C ATOM 633 C TYR A 45 8.123 3.511 1.187 1.00 0.00 C ATOM 634 O TYR A 45 8.015 3.018 2.309 1.00 0.00 O ATOM 635 CB TYR A 45 8.939 5.752 1.940 1.00 0.00 C ATOM 636 CG TYR A 45 10.371 5.822 1.459 1.00 0.00 C ATOM 637 CD1 TYR A 45 10.668 6.170 0.147 1.00 0.00 C ATOM 638 CD2 TYR A 45 11.427 5.539 2.317 1.00 0.00 C ATOM 639 CE1 TYR A 45 11.975 6.234 -0.296 1.00 0.00 C ATOM 640 CE2 TYR A 45 12.737 5.601 1.883 1.00 0.00 C ATOM 641 CZ TYR A 45 13.006 5.949 0.575 1.00 0.00 C ATOM 642 OH TYR A 45 14.309 6.012 0.138 1.00 0.00 O ATOM 0 H TYR A 45 6.424 5.809 2.105 1.00 0.00 H new ATOM 0 HA TYR A 45 8.296 5.248 -0.048 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.566 6.765 2.093 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.914 5.253 2.909 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.864 6.394 -0.538 1.00 0.00 H new ATOM 0 HD2 TYR A 45 11.220 5.266 3.341 1.00 0.00 H new ATOM 0 HE1 TYR A 45 12.188 6.506 -1.319 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.546 5.378 2.563 1.00 0.00 H new ATOM 0 HH TYR A 45 14.393 5.531 -0.712 1.00 0.00 H new ATOM 652 N VAL A 46 8.346 2.784 0.096 1.00 0.00 N ATOM 653 CA VAL A 46 8.481 1.334 0.159 1.00 0.00 C ATOM 654 C VAL A 46 9.937 0.910 0.001 1.00 0.00 C ATOM 655 O VAL A 46 10.807 1.734 -0.282 1.00 0.00 O ATOM 656 CB VAL A 46 7.636 0.644 -0.929 1.00 0.00 C ATOM 657 CG1 VAL A 46 6.194 0.495 -0.471 1.00 0.00 C ATOM 658 CG2 VAL A 46 7.712 1.422 -2.234 1.00 0.00 C ATOM 0 H VAL A 46 8.437 3.176 -0.841 1.00 0.00 H new ATOM 0 HA VAL A 46 8.120 1.025 1.140 1.00 0.00 H new ATOM 0 HB VAL A 46 8.041 -0.353 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.613 0.006 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.161 -0.107 0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.773 1.480 -0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.110 0.921 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.333 2.432 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.748 1.471 -2.568 1.00 0.00 H new ATOM 668 N ARG A 47 10.195 -0.381 0.186 1.00 0.00 N ATOM 669 CA ARG A 47 11.546 -0.915 0.065 1.00 0.00 C ATOM 670 C ARG A 47 11.537 -2.259 -0.657 1.00 0.00 C ATOM 671 O ARG A 47 10.894 -3.210 -0.212 1.00 0.00 O ATOM 672 CB ARG A 47 12.181 -1.070 1.447 1.00 0.00 C ATOM 673 CG ARG A 47 13.503 -1.820 1.429 1.00 0.00 C ATOM 674 CD ARG A 47 14.196 -1.761 2.782 1.00 0.00 C ATOM 675 NE ARG A 47 13.356 -2.298 3.850 1.00 0.00 N ATOM 676 CZ ARG A 47 13.693 -2.268 5.135 1.00 0.00 C ATOM 677 NH1 ARG A 47 14.846 -1.730 5.509 1.00 0.00 N ATOM 678 NH2 ARG A 47 12.876 -2.776 6.048 1.00 0.00 N ATOM 0 H ARG A 47 9.486 -1.076 0.420 1.00 0.00 H new ATOM 0 HA ARG A 47 12.137 -0.212 -0.522 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.340 -0.081 1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.484 -1.594 2.101 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.329 -2.860 1.153 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.154 -1.393 0.666 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.129 -2.323 2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.457 -0.728 3.011 1.00 0.00 H new ATOM 0 HE ARG A 47 12.462 -2.719 3.595 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.477 -1.338 4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.102 -1.708 6.496 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.988 -3.190 5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.136 -2.753 7.034 1.00 0.00 H new ATOM 692 N PHE A 48 12.254 -2.330 -1.774 1.00 0.00 N ATOM 693 CA PHE A 48 12.327 -3.557 -2.558 1.00 0.00 C ATOM 694 C PHE A 48 13.737 -4.141 -2.525 1.00 0.00 C ATOM 695 O PHE A 48 14.598 -3.757 -3.316 1.00 0.00 O ATOM 696 CB PHE A 48 11.908 -3.289 -4.005 1.00 0.00 C ATOM 697 CG PHE A 48 11.800 -4.533 -4.839 1.00 0.00 C ATOM 698 CD1 PHE A 48 11.017 -5.597 -4.420 1.00 0.00 C ATOM 699 CD2 PHE A 48 12.481 -4.639 -6.041 1.00 0.00 C ATOM 700 CE1 PHE A 48 10.916 -6.744 -5.186 1.00 0.00 C ATOM 701 CE2 PHE A 48 12.384 -5.783 -6.810 1.00 0.00 C ATOM 702 CZ PHE A 48 11.599 -6.837 -6.382 1.00 0.00 C ATOM 0 H PHE A 48 12.792 -1.552 -2.156 1.00 0.00 H new ATOM 0 HA PHE A 48 11.642 -4.281 -2.117 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.947 -2.776 -4.007 1.00 0.00 H new ATOM 0 HB3 PHE A 48 12.630 -2.615 -4.465 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.480 -5.530 -3.485 1.00 0.00 H new ATOM 0 HD2 PHE A 48 13.095 -3.818 -6.381 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.303 -7.567 -4.849 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.921 -5.853 -7.744 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.520 -7.732 -6.982 1.00 0.00 H new ATOM 712 N GLY A 49 13.965 -5.071 -1.602 1.00 0.00 N ATOM 713 CA GLY A 49 15.271 -5.692 -1.482 1.00 0.00 C ATOM 714 C GLY A 49 16.290 -4.778 -0.830 1.00 0.00 C ATOM 715 O GLY A 49 16.323 -4.648 0.393 1.00 0.00 O ATOM 0 H GLY A 49 13.269 -5.405 -0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.182 -6.608 -0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.626 -5.979 -2.472 1.00 0.00 H new ATOM 719 N GLU A 50 17.124 -4.145 -1.649 1.00 0.00 N ATOM 720 CA GLU A 50 18.150 -3.240 -1.143 1.00 0.00 C ATOM 721 C GLU A 50 17.889 -1.809 -1.605 1.00 0.00 C ATOM 722 O GLU A 50 18.631 -0.889 -1.259 1.00 0.00 O ATOM 723 CB GLU A 50 19.535 -3.694 -1.609 1.00 0.00 C ATOM 724 CG GLU A 50 19.683 -3.745 -3.120 1.00 0.00 C ATOM 725 CD GLU A 50 20.960 -4.435 -3.559 1.00 0.00 C ATOM 726 OE1 GLU A 50 20.938 -5.673 -3.721 1.00 0.00 O ATOM 727 OE2 GLU A 50 21.980 -3.738 -3.739 1.00 0.00 O ATOM 0 H GLU A 50 17.110 -4.242 -2.664 1.00 0.00 H new ATOM 0 HA GLU A 50 18.115 -3.263 -0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 50 20.286 -3.017 -1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.741 -4.683 -1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 50 18.827 -4.267 -3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 50 19.668 -2.730 -3.517 1.00 0.00 H new ATOM 734 N LEU A 51 16.831 -1.630 -2.387 1.00 0.00 N ATOM 735 CA LEU A 51 16.472 -0.312 -2.898 1.00 0.00 C ATOM 736 C LEU A 51 15.230 0.225 -2.192 1.00 0.00 C ATOM 737 O LEU A 51 14.387 -0.542 -1.731 1.00 0.00 O ATOM 738 CB LEU A 51 16.227 -0.376 -4.406 1.00 0.00 C ATOM 739 CG LEU A 51 17.385 -0.908 -5.252 1.00 0.00 C ATOM 740 CD1 LEU A 51 17.482 -2.421 -5.132 1.00 0.00 C ATOM 741 CD2 LEU A 51 17.215 -0.496 -6.707 1.00 0.00 C ATOM 0 H LEU A 51 16.206 -2.381 -2.681 1.00 0.00 H new ATOM 0 HA LEU A 51 17.303 0.366 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.354 -1.003 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.978 0.626 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 51 18.313 -0.474 -4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.311 -2.782 -5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.651 -2.693 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.553 -2.874 -5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.048 -0.883 -7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 51 16.280 -0.901 -7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 51 17.196 0.592 -6.777 1.00 0.00 H new ATOM 753 N GLU A 52 15.126 1.549 -2.115 1.00 0.00 N ATOM 754 CA GLU A 52 13.986 2.187 -1.467 1.00 0.00 C ATOM 755 C GLU A 52 13.444 3.330 -2.321 1.00 0.00 C ATOM 756 O GLU A 52 14.169 4.265 -2.658 1.00 0.00 O ATOM 757 CB GLU A 52 14.385 2.713 -0.086 1.00 0.00 C ATOM 758 CG GLU A 52 14.727 1.616 0.907 1.00 0.00 C ATOM 759 CD GLU A 52 15.492 2.135 2.109 1.00 0.00 C ATOM 760 OE1 GLU A 52 15.143 3.224 2.610 1.00 0.00 O ATOM 761 OE2 GLU A 52 16.440 1.451 2.549 1.00 0.00 O ATOM 0 H GLU A 52 15.816 2.199 -2.492 1.00 0.00 H new ATOM 0 HA GLU A 52 13.201 1.439 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 52 15.244 3.375 -0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.568 3.313 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.808 1.138 1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.320 0.850 0.407 1.00 0.00 H new ATOM 768 N GLY A 53 12.164 3.245 -2.669 1.00 0.00 N ATOM 769 CA GLY A 53 11.546 4.276 -3.482 1.00 0.00 C ATOM 770 C GLY A 53 10.179 4.680 -2.966 1.00 0.00 C ATOM 771 O GLY A 53 9.634 4.041 -2.066 1.00 0.00 O ATOM 0 H GLY A 53 11.544 2.480 -2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.195 5.152 -3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.453 3.918 -4.507 1.00 0.00 H new ATOM 775 N TRP A 54 9.625 5.745 -3.535 1.00 0.00 N ATOM 776 CA TRP A 54 8.313 6.234 -3.125 1.00 0.00 C ATOM 777 C TRP A 54 7.236 5.792 -4.109 1.00 0.00 C ATOM 778 O TRP A 54 7.147 6.311 -5.221 1.00 0.00 O ATOM 779 CB TRP A 54 8.327 7.760 -3.016 1.00 0.00 C ATOM 780 CG TRP A 54 9.086 8.263 -1.826 1.00 0.00 C ATOM 781 CD1 TRP A 54 10.429 8.503 -1.751 1.00 0.00 C ATOM 782 CD2 TRP A 54 8.547 8.587 -0.539 1.00 0.00 C ATOM 783 NE1 TRP A 54 10.757 8.956 -0.496 1.00 0.00 N ATOM 784 CE2 TRP A 54 9.620 9.017 0.266 1.00 0.00 C ATOM 785 CE3 TRP A 54 7.263 8.557 0.010 1.00 0.00 C ATOM 786 CZ2 TRP A 54 9.445 9.412 1.589 1.00 0.00 C ATOM 787 CZ3 TRP A 54 7.091 8.949 1.324 1.00 0.00 C ATOM 788 CH2 TRP A 54 8.177 9.373 2.101 1.00 0.00 C ATOM 0 H TRP A 54 10.063 6.286 -4.281 1.00 0.00 H new ATOM 0 HA TRP A 54 8.082 5.809 -2.148 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.767 8.178 -3.922 1.00 0.00 H new ATOM 0 HB3 TRP A 54 7.301 8.123 -2.963 1.00 0.00 H new ATOM 0 HD1 TRP A 54 11.130 8.358 -2.560 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.695 9.206 -0.182 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.420 8.233 -0.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.281 9.738 2.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 6.103 8.928 1.759 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.010 9.675 3.124 1.00 0.00 H new ATOM 799 N ALA A 55 6.418 4.830 -3.691 1.00 0.00 N ATOM 800 CA ALA A 55 5.345 4.321 -4.536 1.00 0.00 C ATOM 801 C ALA A 55 3.979 4.723 -3.990 1.00 0.00 C ATOM 802 O ALA A 55 3.765 4.797 -2.780 1.00 0.00 O ATOM 803 CB ALA A 55 5.443 2.807 -4.657 1.00 0.00 C ATOM 0 H ALA A 55 6.478 4.389 -2.773 1.00 0.00 H new ATOM 0 HA ALA A 55 5.455 4.762 -5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.636 2.440 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.402 2.539 -5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.361 2.357 -3.668 1.00 0.00 H new ATOM 809 N PRO A 56 3.032 4.989 -4.901 1.00 0.00 N ATOM 810 CA PRO A 56 1.670 5.388 -4.534 1.00 0.00 C ATOM 811 C PRO A 56 0.881 4.246 -3.904 1.00 0.00 C ATOM 812 O PRO A 56 1.087 3.079 -4.237 1.00 0.00 O ATOM 813 CB PRO A 56 1.047 5.795 -5.871 1.00 0.00 C ATOM 814 CG PRO A 56 1.816 5.034 -6.895 1.00 0.00 C ATOM 815 CD PRO A 56 3.217 4.921 -6.360 1.00 0.00 C ATOM 0 HA PRO A 56 1.665 6.182 -3.787 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.013 5.545 -5.906 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.127 6.870 -6.034 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.380 4.049 -7.058 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.805 5.550 -7.855 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.688 3.986 -6.662 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.852 5.729 -6.723 1.00 0.00 H new ATOM 823 N SER A 57 -0.024 4.589 -2.993 1.00 0.00 N ATOM 824 CA SER A 57 -0.842 3.591 -2.314 1.00 0.00 C ATOM 825 C SER A 57 -1.856 2.975 -3.274 1.00 0.00 C ATOM 826 O SER A 57 -2.326 1.857 -3.065 1.00 0.00 O ATOM 827 CB SER A 57 -1.567 4.219 -1.122 1.00 0.00 C ATOM 828 OG SER A 57 -2.484 5.212 -1.549 1.00 0.00 O ATOM 0 H SER A 57 -0.209 5.551 -2.708 1.00 0.00 H new ATOM 0 HA SER A 57 -0.183 2.801 -1.954 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.096 3.446 -0.566 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.839 4.660 -0.441 1.00 0.00 H new ATOM 0 HG SER A 57 -2.936 5.597 -0.769 1.00 0.00 H new ATOM 834 N HIS A 58 -2.188 3.715 -4.327 1.00 0.00 N ATOM 835 CA HIS A 58 -3.146 3.242 -5.321 1.00 0.00 C ATOM 836 C HIS A 58 -2.720 1.891 -5.887 1.00 0.00 C ATOM 837 O HIS A 58 -3.552 1.013 -6.117 1.00 0.00 O ATOM 838 CB HIS A 58 -3.283 4.262 -6.452 1.00 0.00 C ATOM 839 CG HIS A 58 -3.548 5.656 -5.974 1.00 0.00 C ATOM 840 ND1 HIS A 58 -2.565 6.618 -5.878 1.00 0.00 N ATOM 841 CD2 HIS A 58 -4.693 6.249 -5.563 1.00 0.00 C ATOM 842 CE1 HIS A 58 -3.094 7.742 -5.429 1.00 0.00 C ATOM 843 NE2 HIS A 58 -4.385 7.545 -5.230 1.00 0.00 N ATOM 0 H HIS A 58 -1.809 4.643 -4.514 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.112 3.122 -4.831 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.369 4.258 -7.046 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -4.093 3.953 -7.112 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.668 5.788 -5.507 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.562 8.665 -5.254 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -5.045 8.242 -4.885 1.00 0.00 H new ATOM 852 N TYR A 59 -1.420 1.731 -6.109 1.00 0.00 N ATOM 853 CA TYR A 59 -0.885 0.488 -6.651 1.00 0.00 C ATOM 854 C TYR A 59 -0.870 -0.608 -5.589 1.00 0.00 C ATOM 855 O TYR A 59 -1.153 -1.771 -5.877 1.00 0.00 O ATOM 856 CB TYR A 59 0.530 0.710 -7.190 1.00 0.00 C ATOM 857 CG TYR A 59 0.570 1.508 -8.473 1.00 0.00 C ATOM 858 CD1 TYR A 59 0.067 2.802 -8.525 1.00 0.00 C ATOM 859 CD2 TYR A 59 1.111 0.969 -9.633 1.00 0.00 C ATOM 860 CE1 TYR A 59 0.101 3.535 -9.696 1.00 0.00 C ATOM 861 CE2 TYR A 59 1.151 1.695 -10.808 1.00 0.00 C ATOM 862 CZ TYR A 59 0.644 2.977 -10.834 1.00 0.00 C ATOM 863 OH TYR A 59 0.681 3.704 -12.002 1.00 0.00 O ATOM 0 H TYR A 59 -0.718 2.447 -5.922 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.533 0.169 -7.468 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.122 1.225 -6.433 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.002 -0.258 -7.359 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.358 3.243 -7.635 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.507 -0.035 -9.616 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.296 4.539 -9.720 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.577 1.261 -11.701 1.00 0.00 H new ATOM 0 HH TYR A 59 1.096 3.167 -12.709 1.00 0.00 H new ATOM 873 N LEU A 60 -0.540 -0.227 -4.360 1.00 0.00 N ATOM 874 CA LEU A 60 -0.489 -1.175 -3.253 1.00 0.00 C ATOM 875 C LEU A 60 -1.889 -1.652 -2.879 1.00 0.00 C ATOM 876 O LEU A 60 -2.843 -0.873 -2.882 1.00 0.00 O ATOM 877 CB LEU A 60 0.186 -0.536 -2.038 1.00 0.00 C ATOM 878 CG LEU A 60 1.611 -0.024 -2.254 1.00 0.00 C ATOM 879 CD1 LEU A 60 2.071 0.793 -1.056 1.00 0.00 C ATOM 880 CD2 LEU A 60 2.561 -1.185 -2.508 1.00 0.00 C ATOM 0 H LEU A 60 -0.304 0.732 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 60 0.095 -2.038 -3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.431 0.297 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.203 -1.268 -1.230 1.00 0.00 H new ATOM 0 HG LEU A 60 1.617 0.622 -3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.087 1.149 -1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.406 1.646 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.051 0.170 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.570 -0.803 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.552 -1.857 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.242 -1.729 -3.397 1.00 0.00 H new ATOM 892 N VAL A 61 -2.005 -2.935 -2.555 1.00 0.00 N ATOM 893 CA VAL A 61 -3.288 -3.515 -2.175 1.00 0.00 C ATOM 894 C VAL A 61 -3.432 -3.584 -0.659 1.00 0.00 C ATOM 895 O VAL A 61 -2.567 -4.120 0.035 1.00 0.00 O ATOM 896 CB VAL A 61 -3.460 -4.929 -2.760 1.00 0.00 C ATOM 897 CG1 VAL A 61 -3.266 -4.910 -4.269 1.00 0.00 C ATOM 898 CG2 VAL A 61 -2.490 -5.900 -2.102 1.00 0.00 C ATOM 0 H VAL A 61 -1.226 -3.593 -2.548 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.062 -2.865 -2.582 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.475 -5.268 -2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.391 -5.918 -4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.004 -4.248 -4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.264 -4.551 -4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.626 -6.894 -2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.467 -5.567 -2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.682 -5.935 -1.030 1.00 0.00 H new ATOM 908 N LEU A 62 -4.531 -3.039 -0.150 1.00 0.00 N ATOM 909 CA LEU A 62 -4.791 -3.038 1.286 1.00 0.00 C ATOM 910 C LEU A 62 -6.282 -3.192 1.570 1.00 0.00 C ATOM 911 O LEU A 62 -7.094 -2.376 1.133 1.00 0.00 O ATOM 912 CB LEU A 62 -4.271 -1.746 1.918 1.00 0.00 C ATOM 913 CG LEU A 62 -4.765 -0.444 1.287 1.00 0.00 C ATOM 914 CD1 LEU A 62 -4.661 0.703 2.280 1.00 0.00 C ATOM 915 CD2 LEU A 62 -3.979 -0.131 0.023 1.00 0.00 C ATOM 0 H LEU A 62 -5.257 -2.592 -0.710 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.267 -3.887 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.548 -1.744 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.182 -1.757 1.875 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.813 -0.569 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.017 1.622 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.270 0.482 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.621 0.829 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.345 0.799 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.922 -0.026 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.106 -0.942 -0.695 1.00 0.00 H new ATOM 927 N ASP A 63 -6.634 -4.240 2.306 1.00 0.00 N ATOM 928 CA ASP A 63 -8.027 -4.499 2.651 1.00 0.00 C ATOM 929 C ASP A 63 -8.238 -4.412 4.159 1.00 0.00 C ATOM 930 O ASP A 63 -9.003 -5.185 4.734 1.00 0.00 O ATOM 931 CB ASP A 63 -8.453 -5.877 2.143 1.00 0.00 C ATOM 932 CG ASP A 63 -8.800 -5.869 0.667 1.00 0.00 C ATOM 933 OD1 ASP A 63 -8.013 -5.309 -0.125 1.00 0.00 O ATOM 934 OD2 ASP A 63 -9.859 -6.422 0.304 1.00 0.00 O ATOM 0 H ASP A 63 -5.974 -4.924 2.675 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.642 -3.738 2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.648 -6.591 2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.315 -6.221 2.714 1.00 0.00 H new ATOM 939 N GLU A 64 -7.553 -3.465 4.794 1.00 0.00 N ATOM 940 CA GLU A 64 -7.664 -3.279 6.236 1.00 0.00 C ATOM 941 C GLU A 64 -9.119 -3.070 6.646 1.00 0.00 C ATOM 942 O GLU A 64 -9.733 -2.061 6.302 1.00 0.00 O ATOM 943 CB GLU A 64 -6.819 -2.085 6.685 1.00 0.00 C ATOM 944 CG GLU A 64 -7.020 -1.712 8.144 1.00 0.00 C ATOM 945 CD GLU A 64 -6.035 -0.661 8.619 1.00 0.00 C ATOM 946 OE1 GLU A 64 -6.098 0.480 8.116 1.00 0.00 O ATOM 947 OE2 GLU A 64 -5.202 -0.980 9.492 1.00 0.00 O ATOM 0 H GLU A 64 -6.916 -2.816 4.333 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.293 -4.181 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.766 -2.313 6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.061 -1.224 6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.036 -1.342 8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.918 -2.605 8.761 1.00 0.00 H new ATOM 954 N ASN A 65 -9.664 -4.032 7.384 1.00 0.00 N ATOM 955 CA ASN A 65 -11.047 -3.954 7.841 1.00 0.00 C ATOM 956 C ASN A 65 -12.013 -4.001 6.661 1.00 0.00 C ATOM 957 O ASN A 65 -13.006 -3.275 6.631 1.00 0.00 O ATOM 958 CB ASN A 65 -11.269 -2.672 8.646 1.00 0.00 C ATOM 959 CG ASN A 65 -12.341 -2.833 9.706 1.00 0.00 C ATOM 960 OD1 ASN A 65 -12.062 -2.768 10.903 1.00 0.00 O ATOM 961 ND2 ASN A 65 -13.577 -3.046 9.269 1.00 0.00 N ATOM 0 H ASN A 65 -9.169 -4.874 7.678 1.00 0.00 H new ATOM 0 HA ASN A 65 -11.241 -4.815 8.481 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.333 -2.378 9.121 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.550 -1.865 7.969 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.340 -3.163 9.935 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.763 -3.092 8.267 1.00 0.00 H new ATOM 968 N GLU A 66 -11.713 -4.859 5.691 1.00 0.00 N ATOM 969 CA GLU A 66 -12.556 -5.000 4.509 1.00 0.00 C ATOM 970 C GLU A 66 -12.991 -6.450 4.321 1.00 0.00 C ATOM 971 O GLU A 66 -12.296 -7.376 4.737 1.00 0.00 O ATOM 972 CB GLU A 66 -11.811 -4.514 3.264 1.00 0.00 C ATOM 973 CG GLU A 66 -12.714 -4.291 2.063 1.00 0.00 C ATOM 974 CD GLU A 66 -13.515 -3.007 2.166 1.00 0.00 C ATOM 975 OE1 GLU A 66 -14.500 -2.983 2.934 1.00 0.00 O ATOM 976 OE2 GLU A 66 -13.158 -2.028 1.479 1.00 0.00 O ATOM 0 H GLU A 66 -10.894 -5.466 5.700 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.446 -4.388 4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.297 -3.582 3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.045 -5.243 3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.108 -4.265 1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.397 -5.134 1.965 1.00 0.00 H new ATOM 983 N GLN A 67 -14.147 -6.638 3.691 1.00 0.00 N ATOM 984 CA GLN A 67 -14.676 -7.975 3.449 1.00 0.00 C ATOM 985 C GLN A 67 -13.601 -8.889 2.870 1.00 0.00 C ATOM 986 O GLN A 67 -12.814 -8.495 2.008 1.00 0.00 O ATOM 987 CB GLN A 67 -15.872 -7.908 2.497 1.00 0.00 C ATOM 988 CG GLN A 67 -16.815 -9.093 2.623 1.00 0.00 C ATOM 989 CD GLN A 67 -18.029 -8.971 1.722 1.00 0.00 C ATOM 990 OE1 GLN A 67 -18.286 -9.837 0.886 1.00 0.00 O ATOM 991 NE2 GLN A 67 -18.783 -7.891 1.889 1.00 0.00 N ATOM 0 H GLN A 67 -14.734 -5.882 3.339 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.003 -8.388 4.403 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -16.428 -6.990 2.688 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -15.507 -7.852 1.471 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.276 -10.009 2.379 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -17.143 -9.183 3.659 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -18.532 -7.198 2.594 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -19.613 -7.754 1.312 1.00 0.00 H new ATOM 1000 N PRO A 68 -13.564 -10.140 3.352 1.00 0.00 N ATOM 1001 CA PRO A 68 -12.590 -11.136 2.897 1.00 0.00 C ATOM 1002 C PRO A 68 -12.853 -11.591 1.465 1.00 0.00 C ATOM 1003 O PRO A 68 -13.874 -11.244 0.871 1.00 0.00 O ATOM 1004 CB PRO A 68 -12.789 -12.298 3.873 1.00 0.00 C ATOM 1005 CG PRO A 68 -14.192 -12.155 4.352 1.00 0.00 C ATOM 1006 CD PRO A 68 -14.472 -10.678 4.380 1.00 0.00 C ATOM 0 HA PRO A 68 -11.575 -10.739 2.887 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.635 -13.259 3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -12.081 -12.246 4.700 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.885 -12.671 3.688 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.313 -12.594 5.342 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -15.515 -10.462 4.148 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.268 -10.249 5.361 1.00 0.00 H new ATOM 1014 N ASP A 69 -11.927 -12.370 0.918 1.00 0.00 N ATOM 1015 CA ASP A 69 -12.060 -12.875 -0.444 1.00 0.00 C ATOM 1016 C ASP A 69 -12.135 -14.398 -0.454 1.00 0.00 C ATOM 1017 O ASP A 69 -11.536 -15.080 0.378 1.00 0.00 O ATOM 1018 CB ASP A 69 -10.884 -12.404 -1.302 1.00 0.00 C ATOM 1019 CG ASP A 69 -11.131 -11.045 -1.926 1.00 0.00 C ATOM 1020 OD1 ASP A 69 -12.243 -10.825 -2.448 1.00 0.00 O ATOM 1021 OD2 ASP A 69 -10.211 -10.201 -1.893 1.00 0.00 O ATOM 0 H ASP A 69 -11.076 -12.666 1.396 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.986 -12.481 -0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.984 -12.361 -0.688 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.697 -13.134 -2.090 1.00 0.00 H new ATOM 1026 N PRO A 70 -12.890 -14.947 -1.418 1.00 0.00 N ATOM 1027 CA PRO A 70 -13.062 -16.396 -1.559 1.00 0.00 C ATOM 1028 C PRO A 70 -11.787 -17.089 -2.028 1.00 0.00 C ATOM 1029 O PRO A 70 -11.308 -16.845 -3.135 1.00 0.00 O ATOM 1030 CB PRO A 70 -14.159 -16.521 -2.619 1.00 0.00 C ATOM 1031 CG PRO A 70 -14.066 -15.263 -3.411 1.00 0.00 C ATOM 1032 CD PRO A 70 -13.633 -14.196 -2.443 1.00 0.00 C ATOM 0 HA PRO A 70 -13.310 -16.871 -0.610 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.003 -17.397 -3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -15.142 -16.628 -2.161 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -13.348 -15.366 -4.225 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -15.026 -15.014 -3.863 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -13.006 -13.446 -2.925 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -14.487 -13.670 -2.016 1.00 0.00 H new ATOM 1040 N SER A 71 -11.242 -17.953 -1.178 1.00 0.00 N ATOM 1041 CA SER A 71 -10.020 -18.679 -1.504 1.00 0.00 C ATOM 1042 C SER A 71 -10.338 -19.973 -2.247 1.00 0.00 C ATOM 1043 O SER A 71 -11.404 -20.560 -2.065 1.00 0.00 O ATOM 1044 CB SER A 71 -9.230 -18.989 -0.231 1.00 0.00 C ATOM 1045 OG SER A 71 -7.989 -19.601 -0.537 1.00 0.00 O ATOM 0 H SER A 71 -11.627 -18.167 -0.258 1.00 0.00 H new ATOM 0 HA SER A 71 -9.414 -18.047 -2.154 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.057 -18.069 0.327 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.815 -19.647 0.412 1.00 0.00 H new ATOM 0 HG SER A 71 -7.503 -19.787 0.293 1.00 0.00 H new ATOM 1051 N GLY A 72 -9.404 -20.413 -3.085 1.00 0.00 N ATOM 1052 CA GLY A 72 -9.603 -21.634 -3.843 1.00 0.00 C ATOM 1053 C GLY A 72 -9.407 -22.878 -3.000 1.00 0.00 C ATOM 1054 O GLY A 72 -10.194 -23.153 -2.093 1.00 0.00 O ATOM 0 H GLY A 72 -8.513 -19.945 -3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.609 -21.638 -4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.908 -21.654 -4.682 1.00 0.00 H new ATOM 1058 N LYS A 73 -8.356 -23.634 -3.299 1.00 0.00 N ATOM 1059 CA LYS A 73 -8.059 -24.857 -2.562 1.00 0.00 C ATOM 1060 C LYS A 73 -6.636 -25.329 -2.844 1.00 0.00 C ATOM 1061 O LYS A 73 -6.172 -25.284 -3.983 1.00 0.00 O ATOM 1062 CB LYS A 73 -9.055 -25.957 -2.935 1.00 0.00 C ATOM 1063 CG LYS A 73 -9.057 -27.129 -1.969 1.00 0.00 C ATOM 1064 CD LYS A 73 -8.028 -28.176 -2.361 1.00 0.00 C ATOM 1065 CE LYS A 73 -8.180 -29.444 -1.535 1.00 0.00 C ATOM 1066 NZ LYS A 73 -9.251 -30.329 -2.071 1.00 0.00 N ATOM 0 H LYS A 73 -7.696 -23.421 -4.047 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.148 -24.641 -1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.057 -25.530 -2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.823 -26.322 -3.935 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.848 -26.771 -0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.048 -27.582 -1.947 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.135 -28.415 -3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.025 -27.771 -2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.234 -29.985 -1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.410 -29.180 -0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.324 -31.182 -1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.159 -29.822 -2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.019 -30.602 -3.047 1.00 0.00 H new ATOM 1080 N GLU A 74 -5.949 -25.782 -1.799 1.00 0.00 N ATOM 1081 CA GLU A 74 -4.580 -26.263 -1.937 1.00 0.00 C ATOM 1082 C GLU A 74 -4.512 -27.775 -1.742 1.00 0.00 C ATOM 1083 O GLU A 74 -5.268 -28.345 -0.956 1.00 0.00 O ATOM 1084 CB GLU A 74 -3.667 -25.565 -0.925 1.00 0.00 C ATOM 1085 CG GLU A 74 -4.030 -25.853 0.522 1.00 0.00 C ATOM 1086 CD GLU A 74 -3.681 -24.707 1.450 1.00 0.00 C ATOM 1087 OE1 GLU A 74 -3.903 -23.540 1.063 1.00 0.00 O ATOM 1088 OE2 GLU A 74 -3.185 -24.976 2.565 1.00 0.00 O ATOM 0 H GLU A 74 -6.318 -25.826 -0.849 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.239 -26.029 -2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.638 -25.877 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.707 -24.489 -1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.098 -26.059 0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.510 -26.753 0.851 1.00 0.00 H new ATOM 1095 N SER A 75 -3.600 -28.418 -2.464 1.00 0.00 N ATOM 1096 CA SER A 75 -3.435 -29.864 -2.375 1.00 0.00 C ATOM 1097 C SER A 75 -1.959 -30.246 -2.422 1.00 0.00 C ATOM 1098 O SER A 75 -1.151 -29.572 -3.059 1.00 0.00 O ATOM 1099 CB SER A 75 -4.189 -30.556 -3.512 1.00 0.00 C ATOM 1100 OG SER A 75 -5.579 -30.615 -3.240 1.00 0.00 O ATOM 0 H SER A 75 -2.964 -27.960 -3.117 1.00 0.00 H new ATOM 0 HA SER A 75 -3.848 -30.194 -1.422 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.020 -30.018 -4.445 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.799 -31.564 -3.650 1.00 0.00 H new ATOM 0 HG SER A 75 -6.039 -31.060 -3.982 1.00 0.00 H new ATOM 1106 N GLY A 76 -1.614 -31.335 -1.741 1.00 0.00 N ATOM 1107 CA GLY A 76 -0.236 -31.790 -1.717 1.00 0.00 C ATOM 1108 C GLY A 76 -0.030 -33.061 -2.517 1.00 0.00 C ATOM 1109 O GLY A 76 -0.817 -33.396 -3.403 1.00 0.00 O ATOM 0 H GLY A 76 -2.264 -31.910 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.409 -31.006 -2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.069 -31.961 -0.685 1.00 0.00 H new ATOM 1113 N PRO A 77 1.051 -33.792 -2.207 1.00 0.00 N ATOM 1114 CA PRO A 77 1.383 -35.044 -2.893 1.00 0.00 C ATOM 1115 C PRO A 77 0.407 -36.166 -2.556 1.00 0.00 C ATOM 1116 O PRO A 77 -0.489 -35.995 -1.730 1.00 0.00 O ATOM 1117 CB PRO A 77 2.782 -35.376 -2.368 1.00 0.00 C ATOM 1118 CG PRO A 77 2.857 -34.703 -1.041 1.00 0.00 C ATOM 1119 CD PRO A 77 2.032 -33.452 -1.163 1.00 0.00 C ATOM 0 HA PRO A 77 1.333 -34.941 -3.977 1.00 0.00 H new ATOM 0 HB2 PRO A 77 2.925 -36.453 -2.275 1.00 0.00 H new ATOM 0 HB3 PRO A 77 3.556 -35.009 -3.043 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.471 -35.350 -0.253 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.889 -34.466 -0.782 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.545 -33.198 -0.221 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.642 -32.595 -1.448 1.00 0.00 H new ATOM 1127 N SER A 78 0.587 -37.314 -3.201 1.00 0.00 N ATOM 1128 CA SER A 78 -0.280 -38.464 -2.972 1.00 0.00 C ATOM 1129 C SER A 78 0.381 -39.749 -3.462 1.00 0.00 C ATOM 1130 O SER A 78 1.152 -39.737 -4.421 1.00 0.00 O ATOM 1131 CB SER A 78 -1.622 -38.266 -3.679 1.00 0.00 C ATOM 1132 OG SER A 78 -2.584 -39.198 -3.217 1.00 0.00 O ATOM 0 H SER A 78 1.326 -37.473 -3.886 1.00 0.00 H new ATOM 0 HA SER A 78 -0.452 -38.551 -1.899 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.982 -37.252 -3.506 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.490 -38.378 -4.755 1.00 0.00 H new ATOM 0 HG SER A 78 -3.433 -39.050 -3.683 1.00 0.00 H new ATOM 1138 N SER A 79 0.072 -40.857 -2.795 1.00 0.00 N ATOM 1139 CA SER A 79 0.638 -42.150 -3.159 1.00 0.00 C ATOM 1140 C SER A 79 2.128 -42.025 -3.462 1.00 0.00 C ATOM 1141 O SER A 79 2.629 -42.612 -4.421 1.00 0.00 O ATOM 1142 CB SER A 79 -0.095 -42.729 -4.371 1.00 0.00 C ATOM 1143 OG SER A 79 0.190 -41.984 -5.542 1.00 0.00 O ATOM 0 H SER A 79 -0.567 -40.885 -2.000 1.00 0.00 H new ATOM 0 HA SER A 79 0.513 -42.825 -2.312 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.200 -43.768 -4.516 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.169 -42.726 -4.186 1.00 0.00 H new ATOM 0 HG SER A 79 0.716 -41.191 -5.306 1.00 0.00 H new ATOM 1149 N GLY A 80 2.832 -41.256 -2.637 1.00 0.00 N ATOM 1150 CA GLY A 80 4.257 -41.067 -2.834 1.00 0.00 C ATOM 1151 C GLY A 80 4.774 -39.814 -2.155 1.00 0.00 C ATOM 1152 O GLY A 80 4.187 -38.740 -2.288 1.00 0.00 O ATOM 0 H GLY A 80 2.441 -40.761 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.792 -41.934 -2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.469 -41.012 -3.902 1.00 0.00 H new TER 1156 GLY A 80