USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 713 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+ -122:sc= 0.0887 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -13:sc= 0.0304 USER MOD Single : A 23 THR OG1 : rot -87:sc= 1.26 USER MOD Single : A 24 MET CE :methyl 164:sc= -8.27! (180deg=-9.6!) USER MOD Single : A 27 HIS : no HE2:sc= 0.444 K(o=0.44,f=-1.6!) USER MOD Single : A 32 LYS NZ :NH3+ -150:sc= -0.0727 (180deg=-0.417) USER MOD Single : A 34 GLN : amide:sc= -4.53 K(o=-4.5,f=-10!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00605 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0502 USER MOD Single : A 48 SER OG : rot -60:sc= -0.744 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 65 HIS : no HD1:sc= -0.931 X(o=-0.93,f=-0.67) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.342 K(o=-0.34,f=-1.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= -0.0263 X(o=-0.026,f=-0.16) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.229 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.987 0.347 -2.741 1.00 40.20 N ATOM 2 CA GLY A 1 5.295 1.170 -3.716 1.00 31.22 C ATOM 3 C GLY A 1 4.561 0.345 -4.754 1.00 33.30 C ATOM 4 O GLY A 1 4.557 -0.884 -4.691 1.00 21.23 O ATOM 0 H1 GLY A 1 5.644 0.577 -1.787 1.00 40.20 H new ATOM 0 H2 GLY A 1 5.804 -0.657 -2.942 1.00 40.20 H new ATOM 0 H3 GLY A 1 7.009 0.530 -2.795 1.00 40.20 H new ATOM 0 HA2 GLY A 1 4.584 1.817 -3.202 1.00 31.22 H new ATOM 0 HA3 GLY A 1 6.014 1.819 -4.215 1.00 31.22 H new ATOM 8 N ALA A 2 3.936 1.022 -5.712 1.00 32.22 N ATOM 9 CA ALA A 2 3.195 0.343 -6.768 1.00 41.31 C ATOM 10 C ALA A 2 2.727 1.331 -7.832 1.00 21.33 C ATOM 11 O ALA A 2 3.093 1.217 -9.001 1.00 74.12 O ATOM 12 CB ALA A 2 2.008 -0.407 -6.182 1.00 51.52 C ATOM 0 H ALA A 2 3.928 2.040 -5.778 1.00 32.22 H new ATOM 0 HA ALA A 2 3.864 -0.374 -7.244 1.00 41.31 H new ATOM 0 HB1 ALA A 2 1.464 -0.909 -6.982 1.00 51.52 H new ATOM 0 HB2 ALA A 2 2.363 -1.147 -5.465 1.00 51.52 H new ATOM 0 HB3 ALA A 2 1.345 0.297 -5.679 1.00 51.52 H new ATOM 18 N MET A 3 1.916 2.299 -7.418 1.00 20.22 N ATOM 19 CA MET A 3 1.399 3.307 -8.336 1.00 74.51 C ATOM 20 C MET A 3 1.347 4.676 -7.667 1.00 43.52 C ATOM 21 O MET A 3 2.172 5.546 -7.947 1.00 62.55 O ATOM 22 CB MET A 3 0.004 2.913 -8.826 1.00 72.31 C ATOM 23 CG MET A 3 0.022 1.913 -9.971 1.00 32.11 C ATOM 24 SD MET A 3 -1.595 1.712 -10.743 1.00 33.43 S ATOM 25 CE MET A 3 -1.482 2.898 -12.080 1.00 32.21 C ATOM 0 H MET A 3 1.603 2.407 -6.453 1.00 20.22 H new ATOM 0 HA MET A 3 2.074 3.365 -9.190 1.00 74.51 H new ATOM 0 HB2 MET A 3 -0.558 2.490 -7.994 1.00 72.31 H new ATOM 0 HB3 MET A 3 -0.527 3.810 -9.146 1.00 72.31 H new ATOM 0 HG2 MET A 3 0.741 2.240 -10.722 1.00 32.11 H new ATOM 0 HG3 MET A 3 0.366 0.948 -9.600 1.00 32.11 H new ATOM 0 HE1 MET A 3 -2.410 2.891 -12.652 1.00 32.21 H new ATOM 0 HE2 MET A 3 -1.316 3.894 -11.670 1.00 32.21 H new ATOM 0 HE3 MET A 3 -0.651 2.632 -12.733 1.00 32.21 H new ATOM 35 N ALA A 4 0.373 4.862 -6.782 1.00 61.05 N ATOM 36 CA ALA A 4 0.216 6.125 -6.073 1.00 11.50 C ATOM 37 C ALA A 4 0.036 7.284 -7.048 1.00 43.01 C ATOM 38 O ALA A 4 -0.151 7.075 -8.247 1.00 4.41 O ATOM 39 CB ALA A 4 1.413 6.375 -5.168 1.00 45.33 C ATOM 0 H ALA A 4 -0.319 4.153 -6.539 1.00 61.05 H new ATOM 0 HA ALA A 4 -0.682 6.059 -5.459 1.00 11.50 H new ATOM 0 HB1 ALA A 4 1.282 7.322 -4.645 1.00 45.33 H new ATOM 0 HB2 ALA A 4 1.495 5.567 -4.441 1.00 45.33 H new ATOM 0 HB3 ALA A 4 2.321 6.415 -5.769 1.00 45.33 H new ATOM 45 N ARG A 5 0.093 8.505 -6.526 1.00 64.12 N ATOM 46 CA ARG A 5 -0.065 9.697 -7.351 1.00 60.40 C ATOM 47 C ARG A 5 1.285 10.181 -7.871 1.00 42.13 C ATOM 48 O ARG A 5 1.388 10.673 -8.994 1.00 43.34 O ATOM 49 CB ARG A 5 -0.745 10.810 -6.551 1.00 63.44 C ATOM 50 CG ARG A 5 -1.940 10.335 -5.742 1.00 32.03 C ATOM 51 CD ARG A 5 -2.971 9.646 -6.622 1.00 53.42 C ATOM 52 NE ARG A 5 -4.303 9.664 -6.022 1.00 24.20 N ATOM 53 CZ ARG A 5 -5.323 8.945 -6.476 1.00 51.14 C ATOM 54 NH1 ARG A 5 -5.165 8.156 -7.530 1.00 72.11 N ATOM 55 NH2 ARG A 5 -6.504 9.014 -5.876 1.00 55.53 N ATOM 0 H ARG A 5 0.247 8.695 -5.536 1.00 64.12 H new ATOM 0 HA ARG A 5 -0.691 9.438 -8.204 1.00 60.40 H new ATOM 0 HB2 ARG A 5 -0.016 11.259 -5.877 1.00 63.44 H new ATOM 0 HB3 ARG A 5 -1.069 11.593 -7.237 1.00 63.44 H new ATOM 0 HG2 ARG A 5 -1.605 9.647 -4.966 1.00 32.03 H new ATOM 0 HG3 ARG A 5 -2.400 11.185 -5.238 1.00 32.03 H new ATOM 0 HD2 ARG A 5 -3.005 10.138 -7.594 1.00 53.42 H new ATOM 0 HD3 ARG A 5 -2.666 8.614 -6.797 1.00 53.42 H new ATOM 0 HE ARG A 5 -4.458 10.262 -5.210 1.00 24.20 H new ATOM 0 HH11 ARG A 5 -4.258 8.100 -7.994 1.00 72.11 H new ATOM 0 HH12 ARG A 5 -5.950 7.605 -7.877 1.00 72.11 H new ATOM 0 HH21 ARG A 5 -6.629 9.620 -5.065 1.00 55.53 H new ATOM 0 HH22 ARG A 5 -7.287 8.461 -6.226 1.00 55.53 H new ATOM 69 N ALA A 6 2.317 10.038 -7.046 1.00 43.23 N ATOM 70 CA ALA A 6 3.661 10.460 -7.423 1.00 73.45 C ATOM 71 C ALA A 6 3.664 11.901 -7.922 1.00 24.13 C ATOM 72 O ALA A 6 4.358 12.233 -8.882 1.00 24.11 O ATOM 73 CB ALA A 6 4.226 9.530 -8.487 1.00 4.10 C ATOM 0 H ALA A 6 2.248 9.633 -6.112 1.00 43.23 H new ATOM 0 HA ALA A 6 4.294 10.409 -6.537 1.00 73.45 H new ATOM 0 HB1 ALA A 6 5.230 9.856 -8.760 1.00 4.10 H new ATOM 0 HB2 ALA A 6 4.268 8.513 -8.096 1.00 4.10 H new ATOM 0 HB3 ALA A 6 3.585 9.553 -9.368 1.00 4.10 H new ATOM 79 N GLU A 7 2.884 12.752 -7.263 1.00 2.02 N ATOM 80 CA GLU A 7 2.798 14.158 -7.641 1.00 75.52 C ATOM 81 C GLU A 7 4.170 14.822 -7.583 1.00 51.24 C ATOM 82 O GLU A 7 4.460 15.737 -8.353 1.00 40.31 O ATOM 83 CB GLU A 7 1.822 14.897 -6.723 1.00 73.41 C ATOM 84 CG GLU A 7 2.400 15.223 -5.356 1.00 61.34 C ATOM 85 CD GLU A 7 2.816 13.983 -4.588 1.00 43.33 C ATOM 86 OE1 GLU A 7 2.085 12.973 -4.650 1.00 23.10 O ATOM 87 OE2 GLU A 7 3.874 14.024 -3.925 1.00 41.34 O ATOM 0 H GLU A 7 2.303 12.493 -6.466 1.00 2.02 H new ATOM 0 HA GLU A 7 2.432 14.210 -8.666 1.00 75.52 H new ATOM 0 HB2 GLU A 7 1.511 15.823 -7.207 1.00 73.41 H new ATOM 0 HB3 GLU A 7 0.927 14.289 -6.594 1.00 73.41 H new ATOM 0 HG2 GLU A 7 3.263 15.877 -5.477 1.00 61.34 H new ATOM 0 HG3 GLU A 7 1.661 15.775 -4.775 1.00 61.34 H new ATOM 94 N GLU A 8 5.009 14.354 -6.665 1.00 3.52 N ATOM 95 CA GLU A 8 6.350 14.905 -6.506 1.00 24.54 C ATOM 96 C GLU A 8 7.283 14.389 -7.598 1.00 21.12 C ATOM 97 O GLU A 8 8.270 15.039 -7.945 1.00 32.30 O ATOM 98 CB GLU A 8 6.913 14.546 -5.128 1.00 54.14 C ATOM 99 CG GLU A 8 7.261 13.075 -4.977 1.00 75.32 C ATOM 100 CD GLU A 8 7.231 12.614 -3.533 1.00 23.21 C ATOM 101 OE1 GLU A 8 7.466 13.452 -2.637 1.00 62.53 O ATOM 102 OE2 GLU A 8 6.973 11.414 -3.299 1.00 1.53 O ATOM 0 H GLU A 8 4.785 13.596 -6.021 1.00 3.52 H new ATOM 0 HA GLU A 8 6.282 15.989 -6.592 1.00 24.54 H new ATOM 0 HB2 GLU A 8 7.806 15.143 -4.943 1.00 54.14 H new ATOM 0 HB3 GLU A 8 6.184 14.818 -4.365 1.00 54.14 H new ATOM 0 HG2 GLU A 8 6.560 12.478 -5.560 1.00 75.32 H new ATOM 0 HG3 GLU A 8 8.253 12.896 -5.391 1.00 75.32 H new ATOM 109 N HIS A 9 6.964 13.216 -8.135 1.00 73.14 N ATOM 110 CA HIS A 9 7.772 12.612 -9.188 1.00 64.04 C ATOM 111 C HIS A 9 7.418 13.201 -10.551 1.00 23.23 C ATOM 112 O HIS A 9 7.989 12.815 -11.571 1.00 74.34 O ATOM 113 CB HIS A 9 7.573 11.096 -9.208 1.00 2.24 C ATOM 114 CG HIS A 9 8.805 10.325 -8.844 1.00 51.52 C ATOM 115 ND1 HIS A 9 8.870 9.479 -7.758 1.00 73.50 N ATOM 116 CD2 HIS A 9 10.024 10.276 -9.431 1.00 74.02 C ATOM 117 CE1 HIS A 9 10.075 8.943 -7.692 1.00 24.25 C ATOM 118 NE2 HIS A 9 10.795 9.410 -8.696 1.00 31.11 N ATOM 0 H HIS A 9 6.152 12.665 -7.858 1.00 73.14 H new ATOM 0 HA HIS A 9 8.819 12.831 -8.978 1.00 64.04 H new ATOM 0 HB2 HIS A 9 6.773 10.834 -8.516 1.00 2.24 H new ATOM 0 HB3 HIS A 9 7.246 10.794 -10.203 1.00 2.24 H new ATOM 0 HD2 HIS A 9 10.332 10.817 -10.313 1.00 74.02 H new ATOM 0 HE1 HIS A 9 10.414 8.242 -6.944 1.00 24.25 H new ATOM 0 HE2 HIS A 9 11.766 9.167 -8.893 1.00 31.11 H new ATOM 126 N ILE A 10 6.474 14.136 -10.558 1.00 62.34 N ATOM 127 CA ILE A 10 6.045 14.777 -11.795 1.00 1.11 C ATOM 128 C ILE A 10 7.086 15.777 -12.285 1.00 43.43 C ATOM 129 O ILE A 10 7.285 15.943 -13.489 1.00 61.42 O ATOM 130 CB ILE A 10 4.698 15.502 -11.615 1.00 60.22 C ATOM 131 CG1 ILE A 10 3.663 14.556 -11.004 1.00 34.51 C ATOM 132 CG2 ILE A 10 4.206 16.044 -12.949 1.00 21.21 C ATOM 133 CD1 ILE A 10 3.393 13.329 -11.847 1.00 71.10 C ATOM 0 H ILE A 10 5.992 14.466 -9.722 1.00 62.34 H new ATOM 0 HA ILE A 10 5.927 13.986 -12.536 1.00 1.11 H new ATOM 0 HB ILE A 10 4.842 16.341 -10.935 1.00 60.22 H new ATOM 0 HG12 ILE A 10 4.007 14.241 -10.019 1.00 34.51 H new ATOM 0 HG13 ILE A 10 2.729 15.098 -10.857 1.00 34.51 H new ATOM 0 HG21 ILE A 10 3.253 16.554 -12.806 1.00 21.21 H new ATOM 0 HG22 ILE A 10 4.937 16.747 -13.348 1.00 21.21 H new ATOM 0 HG23 ILE A 10 4.075 15.220 -13.650 1.00 21.21 H new ATOM 0 HD11 ILE A 10 2.650 12.704 -11.352 1.00 71.10 H new ATOM 0 HD12 ILE A 10 3.018 13.634 -12.824 1.00 71.10 H new ATOM 0 HD13 ILE A 10 4.316 12.764 -11.973 1.00 71.10 H new ATOM 145 N TYR A 11 7.749 16.441 -11.345 1.00 44.32 N ATOM 146 CA TYR A 11 8.771 17.426 -11.681 1.00 54.32 C ATOM 147 C TYR A 11 9.792 17.558 -10.556 1.00 21.44 C ATOM 148 O TYR A 11 9.436 17.818 -9.406 1.00 40.54 O ATOM 149 CB TYR A 11 8.126 18.785 -11.961 1.00 20.00 C ATOM 150 CG TYR A 11 7.352 18.832 -13.259 1.00 45.33 C ATOM 151 CD1 TYR A 11 8.009 18.955 -14.478 1.00 22.43 C ATOM 152 CD2 TYR A 11 5.965 18.756 -13.268 1.00 23.22 C ATOM 153 CE1 TYR A 11 7.307 18.999 -15.667 1.00 12.05 C ATOM 154 CE2 TYR A 11 5.255 18.798 -14.452 1.00 32.13 C ATOM 155 CZ TYR A 11 5.930 18.920 -15.648 1.00 71.23 C ATOM 156 OH TYR A 11 5.226 18.963 -16.830 1.00 13.53 O ATOM 0 H TYR A 11 7.597 16.315 -10.344 1.00 44.32 H new ATOM 0 HA TYR A 11 9.288 17.084 -12.578 1.00 54.32 H new ATOM 0 HB2 TYR A 11 7.456 19.036 -11.139 1.00 20.00 H new ATOM 0 HB3 TYR A 11 8.903 19.549 -11.983 1.00 20.00 H new ATOM 0 HD1 TYR A 11 9.087 19.017 -14.496 1.00 22.43 H new ATOM 0 HD2 TYR A 11 5.433 18.662 -12.333 1.00 23.22 H new ATOM 0 HE1 TYR A 11 7.833 19.095 -16.605 1.00 12.05 H new ATOM 0 HE2 TYR A 11 4.177 18.736 -14.441 1.00 32.13 H new ATOM 0 HH TYR A 11 4.267 18.895 -16.642 1.00 13.53 H new ATOM 166 N ARG A 12 11.064 17.375 -10.896 1.00 11.44 N ATOM 167 CA ARG A 12 12.138 17.473 -9.915 1.00 23.31 C ATOM 168 C ARG A 12 12.309 18.911 -9.436 1.00 52.41 C ATOM 169 O ARG A 12 12.514 19.160 -8.249 1.00 20.35 O ATOM 170 CB ARG A 12 13.451 16.964 -10.513 1.00 62.01 C ATOM 171 CG ARG A 12 13.876 17.706 -11.770 1.00 12.02 C ATOM 172 CD ARG A 12 15.106 17.074 -12.401 1.00 64.11 C ATOM 173 NE ARG A 12 16.328 17.802 -12.068 1.00 32.23 N ATOM 174 CZ ARG A 12 17.537 17.434 -12.476 1.00 41.44 C ATOM 175 NH1 ARG A 12 17.686 16.354 -13.230 1.00 72.22 N ATOM 176 NH2 ARG A 12 18.601 18.149 -12.132 1.00 32.34 N ATOM 0 H ARG A 12 11.376 17.158 -11.843 1.00 11.44 H new ATOM 0 HA ARG A 12 11.871 16.853 -9.059 1.00 23.31 H new ATOM 0 HB2 ARG A 12 14.239 17.052 -9.765 1.00 62.01 H new ATOM 0 HB3 ARG A 12 13.348 15.904 -10.744 1.00 62.01 H new ATOM 0 HG2 ARG A 12 13.056 17.706 -12.489 1.00 12.02 H new ATOM 0 HG3 ARG A 12 14.085 18.747 -11.526 1.00 12.02 H new ATOM 0 HD2 ARG A 12 15.196 16.041 -12.064 1.00 64.11 H new ATOM 0 HD3 ARG A 12 14.984 17.046 -13.484 1.00 64.11 H new ATOM 0 HE ARG A 12 16.248 18.639 -11.490 1.00 32.23 H new ATOM 0 HH11 ARG A 12 16.871 15.803 -13.498 1.00 72.22 H new ATOM 0 HH12 ARG A 12 18.616 16.074 -13.542 1.00 72.22 H new ATOM 0 HH21 ARG A 12 18.490 18.982 -11.554 1.00 32.34 H new ATOM 0 HH22 ARG A 12 19.529 17.865 -12.446 1.00 32.34 H new ATOM 190 N GLU A 13 12.223 19.854 -10.369 1.00 52.42 N ATOM 191 CA GLU A 13 12.369 21.268 -10.042 1.00 21.23 C ATOM 192 C GLU A 13 11.342 21.693 -8.997 1.00 11.25 C ATOM 193 O GLU A 13 11.656 22.442 -8.071 1.00 42.42 O ATOM 194 CB GLU A 13 12.217 22.124 -11.300 1.00 50.25 C ATOM 195 CG GLU A 13 13.203 21.769 -12.401 1.00 12.51 C ATOM 196 CD GLU A 13 12.537 21.620 -13.755 1.00 32.31 C ATOM 197 OE1 GLU A 13 12.348 22.646 -14.441 1.00 24.21 O ATOM 198 OE2 GLU A 13 12.204 20.475 -14.128 1.00 41.22 O ATOM 0 H GLU A 13 12.053 19.665 -11.357 1.00 52.42 H new ATOM 0 HA GLU A 13 13.366 21.418 -9.628 1.00 21.23 H new ATOM 0 HB2 GLU A 13 11.203 22.015 -11.683 1.00 50.25 H new ATOM 0 HB3 GLU A 13 12.345 23.173 -11.033 1.00 50.25 H new ATOM 0 HG2 GLU A 13 13.969 22.542 -12.460 1.00 12.51 H new ATOM 0 HG3 GLU A 13 13.708 20.838 -12.145 1.00 12.51 H new ATOM 205 N ILE A 14 10.114 21.211 -9.152 1.00 32.50 N ATOM 206 CA ILE A 14 9.041 21.540 -8.222 1.00 73.02 C ATOM 207 C ILE A 14 9.427 21.189 -6.790 1.00 24.34 C ATOM 208 O ILE A 14 8.876 21.736 -5.835 1.00 72.12 O ATOM 209 CB ILE A 14 7.736 20.806 -8.585 1.00 24.53 C ATOM 210 CG1 ILE A 14 7.211 21.291 -9.937 1.00 50.22 C ATOM 211 CG2 ILE A 14 6.692 21.014 -7.499 1.00 13.14 C ATOM 212 CD1 ILE A 14 6.999 22.788 -10.001 1.00 33.50 C ATOM 0 H ILE A 14 9.837 20.591 -9.913 1.00 32.50 H new ATOM 0 HA ILE A 14 8.877 22.615 -8.298 1.00 73.02 H new ATOM 0 HB ILE A 14 7.946 19.739 -8.660 1.00 24.53 H new ATOM 0 HG12 ILE A 14 7.914 20.998 -10.717 1.00 50.22 H new ATOM 0 HG13 ILE A 14 6.268 20.789 -10.153 1.00 50.22 H new ATOM 0 HG21 ILE A 14 5.776 20.489 -7.770 1.00 13.14 H new ATOM 0 HG22 ILE A 14 7.068 20.623 -6.553 1.00 13.14 H new ATOM 0 HG23 ILE A 14 6.483 22.079 -7.394 1.00 13.14 H new ATOM 0 HD11 ILE A 14 6.626 23.061 -10.988 1.00 33.50 H new ATOM 0 HD12 ILE A 14 6.273 23.085 -9.244 1.00 33.50 H new ATOM 0 HD13 ILE A 14 7.945 23.298 -9.817 1.00 33.50 H new ATOM 224 N MET A 15 10.380 20.273 -6.647 1.00 42.22 N ATOM 225 CA MET A 15 10.843 19.851 -5.330 1.00 43.14 C ATOM 226 C MET A 15 11.128 21.058 -4.442 1.00 23.32 C ATOM 227 O MET A 15 10.988 20.987 -3.221 1.00 51.24 O ATOM 228 CB MET A 15 12.101 18.990 -5.460 1.00 43.24 C ATOM 229 CG MET A 15 12.525 18.332 -4.157 1.00 54.02 C ATOM 230 SD MET A 15 12.464 16.532 -4.236 1.00 72.35 S ATOM 231 CE MET A 15 14.034 16.107 -3.486 1.00 73.43 C ATOM 0 H MET A 15 10.846 19.809 -7.427 1.00 42.22 H new ATOM 0 HA MET A 15 10.053 19.260 -4.867 1.00 43.14 H new ATOM 0 HB2 MET A 15 11.926 18.217 -6.208 1.00 43.24 H new ATOM 0 HB3 MET A 15 12.919 19.610 -5.827 1.00 43.24 H new ATOM 0 HG2 MET A 15 13.539 18.647 -3.909 1.00 54.02 H new ATOM 0 HG3 MET A 15 11.877 18.679 -3.352 1.00 54.02 H new ATOM 0 HE1 MET A 15 14.144 15.023 -3.462 1.00 73.43 H new ATOM 0 HE2 MET A 15 14.846 16.542 -4.070 1.00 73.43 H new ATOM 0 HE3 MET A 15 14.069 16.498 -2.469 1.00 73.43 H new ATOM 241 N GLU A 16 11.529 22.163 -5.062 1.00 62.25 N ATOM 242 CA GLU A 16 11.835 23.384 -4.326 1.00 33.30 C ATOM 243 C GLU A 16 10.637 23.831 -3.494 1.00 15.25 C ATOM 244 O GLU A 16 10.763 24.102 -2.299 1.00 13.05 O ATOM 245 CB GLU A 16 12.244 24.499 -5.291 1.00 24.45 C ATOM 246 CG GLU A 16 13.580 24.253 -5.973 1.00 13.14 C ATOM 247 CD GLU A 16 14.664 23.836 -4.998 1.00 44.15 C ATOM 248 OE1 GLU A 16 15.250 24.726 -4.346 1.00 55.24 O ATOM 249 OE2 GLU A 16 14.928 22.621 -4.888 1.00 64.43 O ATOM 0 H GLU A 16 11.650 22.238 -6.072 1.00 62.25 H new ATOM 0 HA GLU A 16 12.666 23.174 -3.653 1.00 33.30 H new ATOM 0 HB2 GLU A 16 11.472 24.611 -6.052 1.00 24.45 H new ATOM 0 HB3 GLU A 16 12.292 25.441 -4.745 1.00 24.45 H new ATOM 0 HG2 GLU A 16 13.460 23.478 -6.730 1.00 13.14 H new ATOM 0 HG3 GLU A 16 13.892 25.160 -6.491 1.00 13.14 H new ATOM 256 N LEU A 17 9.475 23.907 -4.133 1.00 53.11 N ATOM 257 CA LEU A 17 8.253 24.322 -3.453 1.00 53.21 C ATOM 258 C LEU A 17 7.608 23.146 -2.726 1.00 52.52 C ATOM 259 O LEU A 17 7.286 23.238 -1.541 1.00 22.33 O ATOM 260 CB LEU A 17 7.265 24.920 -4.457 1.00 30.23 C ATOM 261 CG LEU A 17 6.206 25.859 -3.878 1.00 71.22 C ATOM 262 CD1 LEU A 17 6.516 27.302 -4.243 1.00 53.30 C ATOM 263 CD2 LEU A 17 4.820 25.468 -4.371 1.00 22.11 C ATOM 0 H LEU A 17 9.353 23.687 -5.121 1.00 53.11 H new ATOM 0 HA LEU A 17 8.516 25.081 -2.716 1.00 53.21 H new ATOM 0 HB2 LEU A 17 7.831 25.465 -5.213 1.00 30.23 H new ATOM 0 HB3 LEU A 17 6.757 24.102 -4.967 1.00 30.23 H new ATOM 0 HG LEU A 17 6.222 25.769 -2.792 1.00 71.22 H new ATOM 0 HD11 LEU A 17 5.752 27.956 -3.823 1.00 53.30 H new ATOM 0 HD12 LEU A 17 7.491 27.578 -3.841 1.00 53.30 H new ATOM 0 HD13 LEU A 17 6.528 27.408 -5.328 1.00 53.30 H new ATOM 0 HD21 LEU A 17 4.079 26.147 -3.949 1.00 22.11 H new ATOM 0 HD22 LEU A 17 4.790 25.529 -5.459 1.00 22.11 H new ATOM 0 HD23 LEU A 17 4.597 24.448 -4.059 1.00 22.11 H new ATOM 275 N CYS A 18 7.424 22.044 -3.443 1.00 72.51 N ATOM 276 CA CYS A 18 6.819 20.848 -2.866 1.00 15.51 C ATOM 277 C CYS A 18 7.458 20.510 -1.523 1.00 73.32 C ATOM 278 O CYS A 18 6.785 20.043 -0.604 1.00 22.33 O ATOM 279 CB CYS A 18 6.960 19.666 -3.825 1.00 24.31 C ATOM 280 SG CYS A 18 6.420 18.085 -3.133 1.00 13.22 S ATOM 0 H CYS A 18 7.685 21.953 -4.425 1.00 72.51 H new ATOM 0 HA CYS A 18 5.760 21.048 -2.703 1.00 15.51 H new ATOM 0 HB2 CYS A 18 6.382 19.872 -4.726 1.00 24.31 H new ATOM 0 HB3 CYS A 18 8.004 19.580 -4.128 1.00 24.31 H new ATOM 0 HG CYS A 18 6.275 18.201 -1.846 1.00 13.22 H new ATOM 286 N PHE A 19 8.761 20.746 -1.418 1.00 1.53 N ATOM 287 CA PHE A 19 9.492 20.464 -0.188 1.00 64.12 C ATOM 288 C PHE A 19 8.871 21.200 0.995 1.00 22.35 C ATOM 289 O PHE A 19 8.723 20.639 2.081 1.00 33.32 O ATOM 290 CB PHE A 19 10.961 20.866 -0.339 1.00 50.13 C ATOM 291 CG PHE A 19 11.755 20.725 0.928 1.00 33.20 C ATOM 292 CD1 PHE A 19 11.796 21.755 1.853 1.00 5.43 C ATOM 293 CD2 PHE A 19 12.458 19.561 1.194 1.00 4.53 C ATOM 294 CE1 PHE A 19 12.527 21.628 3.020 1.00 53.12 C ATOM 295 CE2 PHE A 19 13.190 19.428 2.359 1.00 1.34 C ATOM 296 CZ PHE A 19 13.223 20.463 3.274 1.00 64.22 C ATOM 0 H PHE A 19 9.333 21.132 -2.169 1.00 1.53 H new ATOM 0 HA PHE A 19 9.433 19.392 0.002 1.00 64.12 H new ATOM 0 HB2 PHE A 19 11.419 20.253 -1.115 1.00 50.13 H new ATOM 0 HB3 PHE A 19 11.013 21.901 -0.678 1.00 50.13 H new ATOM 0 HD1 PHE A 19 11.251 22.667 1.661 1.00 5.43 H new ATOM 0 HD2 PHE A 19 12.434 18.748 0.483 1.00 4.53 H new ATOM 0 HE1 PHE A 19 12.553 22.440 3.732 1.00 53.12 H new ATOM 0 HE2 PHE A 19 13.735 18.516 2.554 1.00 1.34 H new ATOM 0 HZ PHE A 19 13.792 20.361 4.186 1.00 64.22 H new ATOM 306 N VAL A 20 8.510 22.460 0.778 1.00 41.35 N ATOM 307 CA VAL A 20 7.904 23.274 1.825 1.00 44.02 C ATOM 308 C VAL A 20 6.447 22.885 2.049 1.00 5.34 C ATOM 309 O VAL A 20 5.961 22.888 3.181 1.00 41.24 O ATOM 310 CB VAL A 20 7.977 24.774 1.483 1.00 41.12 C ATOM 311 CG1 VAL A 20 7.213 25.594 2.511 1.00 54.02 C ATOM 312 CG2 VAL A 20 9.426 25.230 1.395 1.00 14.40 C ATOM 0 H VAL A 20 8.627 22.940 -0.114 1.00 41.35 H new ATOM 0 HA VAL A 20 8.471 23.089 2.738 1.00 44.02 H new ATOM 0 HB VAL A 20 7.511 24.930 0.510 1.00 41.12 H new ATOM 0 HG11 VAL A 20 7.276 26.651 2.253 1.00 54.02 H new ATOM 0 HG12 VAL A 20 6.168 25.284 2.520 1.00 54.02 H new ATOM 0 HG13 VAL A 20 7.647 25.435 3.498 1.00 54.02 H new ATOM 0 HG21 VAL A 20 9.459 26.292 1.153 1.00 14.40 H new ATOM 0 HG22 VAL A 20 9.919 25.061 2.352 1.00 14.40 H new ATOM 0 HG23 VAL A 20 9.939 24.664 0.617 1.00 14.40 H new ATOM 322 N ILE A 21 5.756 22.551 0.965 1.00 64.40 N ATOM 323 CA ILE A 21 4.355 22.158 1.044 1.00 30.40 C ATOM 324 C ILE A 21 4.196 20.833 1.783 1.00 3.43 C ATOM 325 O ILE A 21 3.221 20.627 2.505 1.00 33.13 O ATOM 326 CB ILE A 21 3.726 22.030 -0.356 1.00 64.41 C ATOM 327 CG1 ILE A 21 4.015 23.283 -1.185 1.00 75.10 C ATOM 328 CG2 ILE A 21 2.227 21.795 -0.244 1.00 64.13 C ATOM 329 CD1 ILE A 21 3.582 24.566 -0.511 1.00 34.02 C ATOM 0 H ILE A 21 6.143 22.545 0.021 1.00 64.40 H new ATOM 0 HA ILE A 21 3.838 22.943 1.595 1.00 30.40 H new ATOM 0 HB ILE A 21 4.171 21.173 -0.861 1.00 64.41 H new ATOM 0 HG12 ILE A 21 5.084 23.333 -1.392 1.00 75.10 H new ATOM 0 HG13 ILE A 21 3.508 23.198 -2.146 1.00 75.10 H new ATOM 0 HG21 ILE A 21 1.797 21.707 -1.242 1.00 64.13 H new ATOM 0 HG22 ILE A 21 2.043 20.876 0.313 1.00 64.13 H new ATOM 0 HG23 ILE A 21 1.765 22.634 0.277 1.00 64.13 H new ATOM 0 HD11 ILE A 21 3.818 25.413 -1.155 1.00 34.02 H new ATOM 0 HD12 ILE A 21 2.508 24.537 -0.329 1.00 34.02 H new ATOM 0 HD13 ILE A 21 4.108 24.674 0.437 1.00 34.02 H new ATOM 341 N ARG A 22 5.163 19.940 1.599 1.00 33.24 N ATOM 342 CA ARG A 22 5.131 18.635 2.249 1.00 13.24 C ATOM 343 C ARG A 22 5.253 18.779 3.764 1.00 41.14 C ATOM 344 O ARG A 22 4.752 17.947 4.520 1.00 23.53 O ATOM 345 CB ARG A 22 6.259 17.749 1.718 1.00 52.12 C ATOM 346 CG ARG A 22 6.281 16.358 2.331 1.00 41.44 C ATOM 347 CD ARG A 22 7.065 15.382 1.468 1.00 71.12 C ATOM 348 NE ARG A 22 8.410 15.151 1.987 1.00 44.14 N ATOM 349 CZ ARG A 22 8.675 14.351 3.013 1.00 30.04 C ATOM 350 NH1 ARG A 22 7.691 13.708 3.628 1.00 45.13 N ATOM 351 NH2 ARG A 22 9.926 14.192 3.427 1.00 14.23 N ATOM 0 H ARG A 22 5.978 20.096 1.006 1.00 33.24 H new ATOM 0 HA ARG A 22 4.173 18.167 2.021 1.00 13.24 H new ATOM 0 HB2 ARG A 22 6.160 17.659 0.636 1.00 52.12 H new ATOM 0 HB3 ARG A 22 7.214 18.237 1.911 1.00 52.12 H new ATOM 0 HG2 ARG A 22 6.725 16.404 3.325 1.00 41.44 H new ATOM 0 HG3 ARG A 22 5.260 15.997 2.454 1.00 41.44 H new ATOM 0 HD2 ARG A 22 6.529 14.434 1.415 1.00 71.12 H new ATOM 0 HD3 ARG A 22 7.130 15.769 0.451 1.00 71.12 H new ATOM 0 HE ARG A 22 9.189 15.631 1.536 1.00 44.14 H new ATOM 0 HH11 ARG A 22 6.728 13.828 3.313 1.00 45.13 H new ATOM 0 HH12 ARG A 22 7.897 13.094 4.416 1.00 45.13 H new ATOM 0 HH21 ARG A 22 10.685 14.685 2.957 1.00 14.23 H new ATOM 0 HH22 ARG A 22 10.128 13.577 4.215 1.00 14.23 H new ATOM 365 N THR A 23 5.923 19.841 4.200 1.00 43.32 N ATOM 366 CA THR A 23 6.113 20.094 5.623 1.00 62.34 C ATOM 367 C THR A 23 4.806 20.509 6.287 1.00 55.13 C ATOM 368 O THR A 23 4.541 20.153 7.434 1.00 30.35 O ATOM 369 CB THR A 23 7.169 21.190 5.863 1.00 74.24 C ATOM 370 OG1 THR A 23 6.588 22.482 5.655 1.00 3.42 O ATOM 371 CG2 THR A 23 8.359 21.008 4.933 1.00 30.42 C ATOM 0 H THR A 23 6.343 20.540 3.588 1.00 43.32 H new ATOM 0 HA THR A 23 6.462 19.161 6.066 1.00 62.34 H new ATOM 0 HB THR A 23 7.518 21.109 6.893 1.00 74.24 H new ATOM 0 HG1 THR A 23 6.660 22.725 4.708 1.00 3.42 H new ATOM 0 HG21 THR A 23 9.091 21.793 5.121 1.00 30.42 H new ATOM 0 HG22 THR A 23 8.816 20.035 5.113 1.00 30.42 H new ATOM 0 HG23 THR A 23 8.024 21.065 3.897 1.00 30.42 H new ATOM 379 N MET A 24 3.991 21.264 5.557 1.00 14.13 N ATOM 380 CA MET A 24 2.709 21.726 6.076 1.00 15.24 C ATOM 381 C MET A 24 1.676 20.604 6.052 1.00 54.15 C ATOM 382 O MET A 24 1.093 20.261 7.080 1.00 51.52 O ATOM 383 CB MET A 24 2.204 22.918 5.261 1.00 54.20 C ATOM 384 CG MET A 24 3.159 24.100 5.257 1.00 2.30 C ATOM 385 SD MET A 24 2.309 25.680 5.075 1.00 62.03 S ATOM 386 CE MET A 24 1.856 25.623 3.343 1.00 64.23 C ATOM 0 H MET A 24 4.196 21.568 4.605 1.00 14.13 H new ATOM 0 HA MET A 24 2.856 22.038 7.110 1.00 15.24 H new ATOM 0 HB2 MET A 24 2.031 22.598 4.234 1.00 54.20 H new ATOM 0 HB3 MET A 24 1.242 23.240 5.661 1.00 54.20 H new ATOM 0 HG2 MET A 24 3.730 24.104 6.186 1.00 2.30 H new ATOM 0 HG3 MET A 24 3.875 23.981 4.443 1.00 2.30 H new ATOM 0 HE1 MET A 24 1.093 26.375 3.142 1.00 64.23 H new ATOM 0 HE2 MET A 24 2.735 25.825 2.730 1.00 64.23 H new ATOM 0 HE3 MET A 24 1.465 24.635 3.102 1.00 64.23 H new ATOM 396 N ALA A 25 1.454 20.036 4.871 1.00 52.13 N ATOM 397 CA ALA A 25 0.492 18.952 4.713 1.00 25.21 C ATOM 398 C ALA A 25 1.089 17.621 5.158 1.00 34.42 C ATOM 399 O ALA A 25 2.258 17.336 4.900 1.00 4.44 O ATOM 400 CB ALA A 25 0.026 18.866 3.267 1.00 12.24 C ATOM 0 H ALA A 25 1.927 20.309 4.010 1.00 52.13 H new ATOM 0 HA ALA A 25 -0.368 19.166 5.348 1.00 25.21 H new ATOM 0 HB1 ALA A 25 -0.692 18.052 3.164 1.00 12.24 H new ATOM 0 HB2 ALA A 25 -0.447 19.805 2.981 1.00 12.24 H new ATOM 0 HB3 ALA A 25 0.882 18.679 2.619 1.00 12.24 H new ATOM 406 N ARG A 26 0.277 16.809 5.828 1.00 23.22 N ATOM 407 CA ARG A 26 0.726 15.508 6.311 1.00 52.31 C ATOM 408 C ARG A 26 0.043 14.379 5.544 1.00 4.04 C ATOM 409 O ARG A 26 0.653 13.741 4.685 1.00 34.01 O ATOM 410 CB ARG A 26 0.439 15.369 7.807 1.00 2.31 C ATOM 411 CG ARG A 26 0.747 13.987 8.360 1.00 10.44 C ATOM 412 CD ARG A 26 0.293 13.852 9.806 1.00 43.25 C ATOM 413 NE ARG A 26 -0.074 12.478 10.138 1.00 44.23 N ATOM 414 CZ ARG A 26 -0.602 12.120 11.303 1.00 61.24 C ATOM 415 NH1 ARG A 26 -0.824 13.029 12.241 1.00 13.43 N ATOM 416 NH2 ARG A 26 -0.909 10.849 11.530 1.00 13.33 N ATOM 0 H ARG A 26 -0.694 17.029 6.049 1.00 23.22 H new ATOM 0 HA ARG A 26 1.801 15.438 6.146 1.00 52.31 H new ATOM 0 HB2 ARG A 26 1.027 16.108 8.351 1.00 2.31 H new ATOM 0 HB3 ARG A 26 -0.611 15.599 7.990 1.00 2.31 H new ATOM 0 HG2 ARG A 26 0.252 13.231 7.750 1.00 10.44 H new ATOM 0 HG3 ARG A 26 1.819 13.798 8.295 1.00 10.44 H new ATOM 0 HD2 ARG A 26 1.092 14.184 10.469 1.00 43.25 H new ATOM 0 HD3 ARG A 26 -0.560 14.508 9.981 1.00 43.25 H new ATOM 0 HE ARG A 26 0.084 11.754 9.437 1.00 44.23 H new ATOM 0 HH11 ARG A 26 -0.589 14.007 12.069 1.00 13.43 H new ATOM 0 HH12 ARG A 26 -1.230 12.751 13.135 1.00 13.43 H new ATOM 0 HH21 ARG A 26 -0.739 10.147 10.810 1.00 13.33 H new ATOM 0 HH22 ARG A 26 -1.314 10.574 12.425 1.00 13.33 H new ATOM 430 N HIS A 27 -1.225 14.137 5.862 1.00 44.24 N ATOM 431 CA HIS A 27 -1.990 13.085 5.203 1.00 72.22 C ATOM 432 C HIS A 27 -1.936 13.242 3.686 1.00 13.11 C ATOM 433 O HIS A 27 -1.982 12.258 2.948 1.00 34.44 O ATOM 434 CB HIS A 27 -3.443 13.108 5.678 1.00 11.03 C ATOM 435 CG HIS A 27 -4.104 11.764 5.651 1.00 3.13 C ATOM 436 ND1 HIS A 27 -3.884 10.838 4.654 1.00 32.50 N ATOM 437 CD2 HIS A 27 -4.982 11.192 6.508 1.00 25.21 C ATOM 438 CE1 HIS A 27 -4.600 9.754 4.898 1.00 42.05 C ATOM 439 NE2 HIS A 27 -5.274 9.943 6.017 1.00 14.22 N ATOM 0 H HIS A 27 -1.744 14.655 6.571 1.00 44.24 H new ATOM 0 HA HIS A 27 -1.544 12.126 5.467 1.00 72.22 H new ATOM 0 HB2 HIS A 27 -3.478 13.501 6.694 1.00 11.03 H new ATOM 0 HB3 HIS A 27 -4.011 13.796 5.051 1.00 11.03 H new ATOM 0 HD1 HIS A 27 -3.266 10.969 3.853 1.00 32.50 H new ATOM 0 HD2 HIS A 27 -5.379 11.635 7.409 1.00 25.21 H new ATOM 0 HE1 HIS A 27 -4.629 8.865 4.286 1.00 42.05 H new ATOM 447 N ARG A 28 -1.839 14.486 3.228 1.00 33.11 N ATOM 448 CA ARG A 28 -1.781 14.772 1.800 1.00 74.33 C ATOM 449 C ARG A 28 -0.655 13.987 1.133 1.00 33.44 C ATOM 450 O ARG A 28 -0.719 13.680 -0.057 1.00 73.41 O ATOM 451 CB ARG A 28 -1.581 16.270 1.565 1.00 2.14 C ATOM 452 CG ARG A 28 -2.866 17.013 1.240 1.00 13.15 C ATOM 453 CD ARG A 28 -3.715 17.228 2.484 1.00 40.22 C ATOM 454 NE ARG A 28 -5.010 17.825 2.166 1.00 24.04 N ATOM 455 CZ ARG A 28 -6.040 17.135 1.692 1.00 74.43 C ATOM 456 NH1 ARG A 28 -5.929 15.830 1.481 1.00 5.41 N ATOM 457 NH2 ARG A 28 -7.186 17.749 1.427 1.00 34.11 N ATOM 0 H ARG A 28 -1.799 15.312 3.825 1.00 33.11 H new ATOM 0 HA ARG A 28 -2.728 14.465 1.356 1.00 74.33 H new ATOM 0 HB2 ARG A 28 -1.131 16.712 2.454 1.00 2.14 H new ATOM 0 HB3 ARG A 28 -0.874 16.410 0.747 1.00 2.14 H new ATOM 0 HG2 ARG A 28 -2.627 17.977 0.790 1.00 13.15 H new ATOM 0 HG3 ARG A 28 -3.437 16.450 0.502 1.00 13.15 H new ATOM 0 HD2 ARG A 28 -3.870 16.273 2.987 1.00 40.22 H new ATOM 0 HD3 ARG A 28 -3.180 17.873 3.181 1.00 40.22 H new ATOM 0 HE ARG A 28 -5.129 18.827 2.316 1.00 24.04 H new ATOM 0 HH11 ARG A 28 -5.050 15.354 1.683 1.00 5.41 H new ATOM 0 HH12 ARG A 28 -6.723 15.303 1.117 1.00 5.41 H new ATOM 0 HH21 ARG A 28 -7.276 18.752 1.588 1.00 34.11 H new ATOM 0 HH22 ARG A 28 -7.977 17.218 1.063 1.00 34.11 H new ATOM 471 N ARG A 29 0.375 13.666 1.909 1.00 31.43 N ATOM 472 CA ARG A 29 1.516 12.918 1.394 1.00 13.21 C ATOM 473 C ARG A 29 1.057 11.652 0.677 1.00 30.44 C ATOM 474 O ARG A 29 1.719 11.173 -0.244 1.00 1.24 O ATOM 475 CB ARG A 29 2.471 12.555 2.533 1.00 51.34 C ATOM 476 CG ARG A 29 1.950 11.449 3.435 1.00 22.31 C ATOM 477 CD ARG A 29 2.754 11.356 4.723 1.00 73.42 C ATOM 478 NE ARG A 29 3.930 10.503 4.574 1.00 73.43 N ATOM 479 CZ ARG A 29 4.618 10.014 5.599 1.00 32.25 C ATOM 480 NH1 ARG A 29 4.249 10.292 6.842 1.00 32.32 N ATOM 481 NH2 ARG A 29 5.677 9.245 5.383 1.00 21.50 N ATOM 0 H ARG A 29 0.443 13.912 2.897 1.00 31.43 H new ATOM 0 HA ARG A 29 2.040 13.551 0.678 1.00 13.21 H new ATOM 0 HB2 ARG A 29 3.427 12.247 2.110 1.00 51.34 H new ATOM 0 HB3 ARG A 29 2.660 13.444 3.135 1.00 51.34 H new ATOM 0 HG2 ARG A 29 0.902 11.634 3.671 1.00 22.31 H new ATOM 0 HG3 ARG A 29 1.994 10.496 2.907 1.00 22.31 H new ATOM 0 HD2 ARG A 29 3.067 12.355 5.028 1.00 73.42 H new ATOM 0 HD3 ARG A 29 2.120 10.964 5.518 1.00 73.42 H new ATOM 0 HE ARG A 29 4.240 10.270 3.631 1.00 73.43 H new ATOM 0 HH11 ARG A 29 3.435 10.883 7.012 1.00 32.32 H new ATOM 0 HH12 ARG A 29 4.779 9.915 7.628 1.00 32.32 H new ATOM 0 HH21 ARG A 29 5.964 9.029 4.428 1.00 21.50 H new ATOM 0 HH22 ARG A 29 6.204 8.870 6.171 1.00 21.50 H new ATOM 495 N ASP A 30 -0.079 11.114 1.107 1.00 73.22 N ATOM 496 CA ASP A 30 -0.627 9.903 0.506 1.00 11.12 C ATOM 497 C ASP A 30 -0.943 10.124 -0.970 1.00 34.12 C ATOM 498 O ASP A 30 -0.844 9.204 -1.781 1.00 3.22 O ATOM 499 CB ASP A 30 -1.889 9.465 1.251 1.00 71.31 C ATOM 500 CG ASP A 30 -2.218 8.003 1.022 1.00 22.52 C ATOM 501 OD1 ASP A 30 -1.440 7.140 1.482 1.00 42.22 O ATOM 502 OD2 ASP A 30 -3.254 7.720 0.384 1.00 5.55 O ATOM 0 H ASP A 30 -0.638 11.497 1.869 1.00 73.22 H new ATOM 0 HA ASP A 30 0.123 9.116 0.584 1.00 11.12 H new ATOM 0 HB2 ASP A 30 -1.757 9.642 2.318 1.00 71.31 H new ATOM 0 HB3 ASP A 30 -2.730 10.079 0.928 1.00 71.31 H new ATOM 507 N GLY A 31 -1.326 11.351 -1.311 1.00 35.32 N ATOM 508 CA GLY A 31 -1.653 11.670 -2.688 1.00 62.14 C ATOM 509 C GLY A 31 -1.204 13.063 -3.083 1.00 31.03 C ATOM 510 O GLY A 31 -0.007 13.338 -3.164 1.00 2.54 O ATOM 0 H GLY A 31 -1.415 12.129 -0.658 1.00 35.32 H new ATOM 0 HA2 GLY A 31 -1.184 10.940 -3.348 1.00 62.14 H new ATOM 0 HA3 GLY A 31 -2.730 11.584 -2.832 1.00 62.14 H new ATOM 514 N LYS A 32 -2.167 13.945 -3.331 1.00 25.23 N ATOM 515 CA LYS A 32 -1.866 15.317 -3.720 1.00 4.54 C ATOM 516 C LYS A 32 -1.764 16.220 -2.494 1.00 53.33 C ATOM 517 O LYS A 32 -2.378 15.951 -1.461 1.00 63.11 O ATOM 518 CB LYS A 32 -2.942 15.848 -4.669 1.00 61.14 C ATOM 519 CG LYS A 32 -3.387 14.835 -5.710 1.00 54.20 C ATOM 520 CD LYS A 32 -2.207 14.279 -6.488 1.00 23.31 C ATOM 521 CE LYS A 32 -1.461 15.377 -7.230 1.00 60.14 C ATOM 522 NZ LYS A 32 -2.385 16.246 -8.010 1.00 75.42 N ATOM 0 H LYS A 32 -3.163 13.733 -3.269 1.00 25.23 H new ATOM 0 HA LYS A 32 -0.904 15.320 -4.233 1.00 4.54 H new ATOM 0 HB2 LYS A 32 -3.808 16.161 -4.085 1.00 61.14 H new ATOM 0 HB3 LYS A 32 -2.562 16.735 -5.176 1.00 61.14 H new ATOM 0 HG2 LYS A 32 -3.918 14.019 -5.221 1.00 54.20 H new ATOM 0 HG3 LYS A 32 -4.089 15.305 -6.399 1.00 54.20 H new ATOM 0 HD2 LYS A 32 -1.525 13.773 -5.805 1.00 23.31 H new ATOM 0 HD3 LYS A 32 -2.559 13.532 -7.199 1.00 23.31 H new ATOM 0 HE2 LYS A 32 -0.906 15.986 -6.516 1.00 60.14 H new ATOM 0 HE3 LYS A 32 -0.730 14.929 -7.903 1.00 60.14 H new ATOM 0 HZ1 LYS A 32 -1.891 16.615 -8.848 1.00 75.42 H new ATOM 0 HZ2 LYS A 32 -3.211 15.691 -8.312 1.00 75.42 H new ATOM 0 HZ3 LYS A 32 -2.699 17.040 -7.416 1.00 75.42 H new ATOM 536 N ILE A 33 -0.988 17.292 -2.617 1.00 72.21 N ATOM 537 CA ILE A 33 -0.810 18.235 -1.520 1.00 63.21 C ATOM 538 C ILE A 33 -1.497 19.563 -1.820 1.00 24.14 C ATOM 539 O ILE A 33 -1.514 20.019 -2.962 1.00 42.53 O ATOM 540 CB ILE A 33 0.682 18.494 -1.237 1.00 70.42 C ATOM 541 CG1 ILE A 33 1.502 17.231 -1.512 1.00 10.31 C ATOM 542 CG2 ILE A 33 0.876 18.956 0.199 1.00 22.11 C ATOM 543 CD1 ILE A 33 2.972 17.384 -1.190 1.00 61.10 C ATOM 0 H ILE A 33 -0.473 17.529 -3.465 1.00 72.21 H new ATOM 0 HA ILE A 33 -1.266 17.784 -0.639 1.00 63.21 H new ATOM 0 HB ILE A 33 1.032 19.284 -1.902 1.00 70.42 H new ATOM 0 HG12 ILE A 33 1.094 16.408 -0.926 1.00 10.31 H new ATOM 0 HG13 ILE A 33 1.395 16.959 -2.562 1.00 10.31 H new ATOM 0 HG21 ILE A 33 1.935 19.135 0.384 1.00 22.11 H new ATOM 0 HG22 ILE A 33 0.318 19.878 0.363 1.00 22.11 H new ATOM 0 HG23 ILE A 33 0.514 18.187 0.881 1.00 22.11 H new ATOM 0 HD11 ILE A 33 3.491 16.451 -1.409 1.00 61.10 H new ATOM 0 HD12 ILE A 33 3.395 18.186 -1.795 1.00 61.10 H new ATOM 0 HD13 ILE A 33 3.090 17.626 -0.134 1.00 61.10 H new ATOM 555 N GLN A 34 -2.060 20.178 -0.785 1.00 1.12 N ATOM 556 CA GLN A 34 -2.747 21.455 -0.938 1.00 32.05 C ATOM 557 C GLN A 34 -2.622 22.296 0.329 1.00 65.33 C ATOM 558 O GLN A 34 -2.698 21.776 1.442 1.00 74.51 O ATOM 559 CB GLN A 34 -4.223 21.227 -1.268 1.00 52.34 C ATOM 560 CG GLN A 34 -4.445 20.428 -2.543 1.00 2.53 C ATOM 561 CD GLN A 34 -4.388 18.931 -2.310 1.00 40.53 C ATOM 562 OE1 GLN A 34 -3.660 18.212 -2.996 1.00 13.44 O ATOM 563 NE2 GLN A 34 -5.158 18.453 -1.339 1.00 45.25 N ATOM 0 H GLN A 34 -2.054 19.813 0.167 1.00 1.12 H new ATOM 0 HA GLN A 34 -2.277 21.996 -1.759 1.00 32.05 H new ATOM 0 HB2 GLN A 34 -4.697 20.706 -0.436 1.00 52.34 H new ATOM 0 HB3 GLN A 34 -4.719 22.193 -1.363 1.00 52.34 H new ATOM 0 HG2 GLN A 34 -5.415 20.689 -2.967 1.00 2.53 H new ATOM 0 HG3 GLN A 34 -3.690 20.707 -3.278 1.00 2.53 H new ATOM 0 HE21 GLN A 34 -5.745 19.086 -0.796 1.00 45.25 H new ATOM 0 HE22 GLN A 34 -5.162 17.453 -1.137 1.00 45.25 H new ATOM 572 N VAL A 35 -2.427 23.599 0.151 1.00 34.32 N ATOM 573 CA VAL A 35 -2.292 24.512 1.280 1.00 43.14 C ATOM 574 C VAL A 35 -2.692 25.930 0.890 1.00 51.54 C ATOM 575 O VAL A 35 -2.559 26.330 -0.268 1.00 25.13 O ATOM 576 CB VAL A 35 -0.849 24.528 1.819 1.00 70.52 C ATOM 577 CG1 VAL A 35 -0.585 23.297 2.674 1.00 52.52 C ATOM 578 CG2 VAL A 35 0.147 24.614 0.672 1.00 30.43 C ATOM 0 H VAL A 35 -2.359 24.046 -0.763 1.00 34.32 H new ATOM 0 HA VAL A 35 -2.960 24.150 2.062 1.00 43.14 H new ATOM 0 HB VAL A 35 -0.723 25.411 2.446 1.00 70.52 H new ATOM 0 HG11 VAL A 35 0.439 23.325 3.046 1.00 52.52 H new ATOM 0 HG12 VAL A 35 -1.277 23.284 3.516 1.00 52.52 H new ATOM 0 HG13 VAL A 35 -0.728 22.399 2.073 1.00 52.52 H new ATOM 0 HG21 VAL A 35 1.161 24.624 1.071 1.00 30.43 H new ATOM 0 HG22 VAL A 35 0.023 23.751 0.017 1.00 30.43 H new ATOM 0 HG23 VAL A 35 -0.029 25.528 0.105 1.00 30.43 H new ATOM 588 N THR A 36 -3.184 26.690 1.864 1.00 60.22 N ATOM 589 CA THR A 36 -3.605 28.064 1.623 1.00 2.22 C ATOM 590 C THR A 36 -2.415 29.016 1.649 1.00 45.20 C ATOM 591 O THR A 36 -1.374 28.709 2.230 1.00 4.04 O ATOM 592 CB THR A 36 -4.640 28.526 2.667 1.00 64.23 C ATOM 593 OG1 THR A 36 -4.164 28.242 3.987 1.00 30.41 O ATOM 594 CG2 THR A 36 -5.977 27.836 2.444 1.00 30.24 C ATOM 0 H THR A 36 -3.301 26.376 2.828 1.00 60.22 H new ATOM 0 HA THR A 36 -4.063 28.085 0.634 1.00 2.22 H new ATOM 0 HB THR A 36 -4.781 29.601 2.556 1.00 64.23 H new ATOM 0 HG1 THR A 36 -4.826 28.540 4.645 1.00 30.41 H new ATOM 0 HG21 THR A 36 -6.692 28.177 3.193 1.00 30.24 H new ATOM 0 HG22 THR A 36 -6.350 28.078 1.449 1.00 30.24 H new ATOM 0 HG23 THR A 36 -5.849 26.757 2.531 1.00 30.24 H new ATOM 602 N PHE A 37 -2.575 30.174 1.016 1.00 63.41 N ATOM 603 CA PHE A 37 -1.512 31.171 0.966 1.00 12.22 C ATOM 604 C PHE A 37 -1.084 31.581 2.373 1.00 73.55 C ATOM 605 O PHE A 37 0.106 31.658 2.673 1.00 21.13 O ATOM 606 CB PHE A 37 -1.975 32.402 0.183 1.00 31.44 C ATOM 607 CG PHE A 37 -1.124 33.617 0.419 1.00 74.13 C ATOM 608 CD1 PHE A 37 0.256 33.542 0.321 1.00 13.01 C ATOM 609 CD2 PHE A 37 -1.705 34.834 0.737 1.00 43.00 C ATOM 610 CE1 PHE A 37 1.041 34.659 0.538 1.00 72.40 C ATOM 611 CE2 PHE A 37 -0.925 35.954 0.955 1.00 42.34 C ATOM 612 CZ PHE A 37 0.450 35.866 0.854 1.00 52.51 C ATOM 0 H PHE A 37 -3.430 30.445 0.531 1.00 63.41 H new ATOM 0 HA PHE A 37 -0.655 30.727 0.459 1.00 12.22 H new ATOM 0 HB2 PHE A 37 -1.973 32.168 -0.882 1.00 31.44 H new ATOM 0 HB3 PHE A 37 -3.005 32.631 0.457 1.00 31.44 H new ATOM 0 HD1 PHE A 37 0.723 32.601 0.072 1.00 13.01 H new ATOM 0 HD2 PHE A 37 -2.780 34.908 0.815 1.00 43.00 H new ATOM 0 HE1 PHE A 37 2.116 34.587 0.460 1.00 72.40 H new ATOM 0 HE2 PHE A 37 -1.390 36.897 1.204 1.00 42.34 H new ATOM 0 HZ PHE A 37 1.062 36.740 1.022 1.00 52.51 H new ATOM 622 N GLY A 38 -2.066 31.842 3.231 1.00 44.43 N ATOM 623 CA GLY A 38 -1.772 32.241 4.595 1.00 45.43 C ATOM 624 C GLY A 38 -0.799 31.300 5.277 1.00 11.02 C ATOM 625 O GLY A 38 0.157 31.741 5.914 1.00 32.34 O ATOM 0 H GLY A 38 -3.059 31.784 3.006 1.00 44.43 H new ATOM 0 HA2 GLY A 38 -1.358 33.249 4.594 1.00 45.43 H new ATOM 0 HA3 GLY A 38 -2.699 32.278 5.167 1.00 45.43 H new ATOM 629 N GLU A 39 -1.045 30.000 5.145 1.00 5.21 N ATOM 630 CA GLU A 39 -0.184 28.995 5.757 1.00 24.11 C ATOM 631 C GLU A 39 1.186 28.970 5.086 1.00 44.25 C ATOM 632 O GLU A 39 2.220 29.000 5.756 1.00 54.35 O ATOM 633 CB GLU A 39 -0.833 27.612 5.667 1.00 2.31 C ATOM 634 CG GLU A 39 -1.996 27.422 6.627 1.00 43.35 C ATOM 635 CD GLU A 39 -1.603 26.657 7.875 1.00 3.03 C ATOM 636 OE1 GLU A 39 -0.923 27.244 8.742 1.00 1.44 O ATOM 637 OE2 GLU A 39 -1.976 25.470 7.985 1.00 43.11 O ATOM 0 H GLU A 39 -1.832 29.619 4.620 1.00 5.21 H new ATOM 0 HA GLU A 39 -0.051 29.259 6.806 1.00 24.11 H new ATOM 0 HB2 GLU A 39 -1.184 27.450 4.648 1.00 2.31 H new ATOM 0 HB3 GLU A 39 -0.078 26.852 5.869 1.00 2.31 H new ATOM 0 HG2 GLU A 39 -2.390 28.398 6.912 1.00 43.35 H new ATOM 0 HG3 GLU A 39 -2.800 26.890 6.118 1.00 43.35 H new ATOM 644 N LEU A 40 1.187 28.915 3.758 1.00 20.43 N ATOM 645 CA LEU A 40 2.429 28.885 2.994 1.00 5.23 C ATOM 646 C LEU A 40 3.326 30.061 3.368 1.00 44.01 C ATOM 647 O LEU A 40 4.524 29.893 3.600 1.00 71.13 O ATOM 648 CB LEU A 40 2.130 28.914 1.495 1.00 72.05 C ATOM 649 CG LEU A 40 2.539 27.670 0.704 1.00 13.44 C ATOM 650 CD1 LEU A 40 2.254 27.862 -0.777 1.00 64.13 C ATOM 651 CD2 LEU A 40 4.010 27.355 0.931 1.00 61.35 C ATOM 0 H LEU A 40 0.341 28.890 3.188 1.00 20.43 H new ATOM 0 HA LEU A 40 2.953 27.960 3.235 1.00 5.23 H new ATOM 0 HB2 LEU A 40 1.059 29.069 1.361 1.00 72.05 H new ATOM 0 HB3 LEU A 40 2.634 29.778 1.061 1.00 72.05 H new ATOM 0 HG LEU A 40 1.948 26.825 1.059 1.00 13.44 H new ATOM 0 HD11 LEU A 40 2.551 26.967 -1.324 1.00 64.13 H new ATOM 0 HD12 LEU A 40 1.188 28.039 -0.923 1.00 64.13 H new ATOM 0 HD13 LEU A 40 2.818 28.718 -1.148 1.00 64.13 H new ATOM 0 HD21 LEU A 40 4.284 26.467 0.361 1.00 61.35 H new ATOM 0 HD22 LEU A 40 4.618 28.199 0.603 1.00 61.35 H new ATOM 0 HD23 LEU A 40 4.184 27.173 1.992 1.00 61.35 H new ATOM 663 N PHE A 41 2.739 31.251 3.427 1.00 52.54 N ATOM 664 CA PHE A 41 3.484 32.456 3.774 1.00 63.25 C ATOM 665 C PHE A 41 4.008 32.378 5.204 1.00 24.35 C ATOM 666 O PHE A 41 5.201 32.556 5.451 1.00 43.23 O ATOM 667 CB PHE A 41 2.600 33.694 3.609 1.00 21.31 C ATOM 668 CG PHE A 41 3.374 34.980 3.554 1.00 72.15 C ATOM 669 CD1 PHE A 41 3.941 35.411 2.365 1.00 4.45 C ATOM 670 CD2 PHE A 41 3.533 35.758 4.689 1.00 20.41 C ATOM 671 CE1 PHE A 41 4.654 36.594 2.312 1.00 44.11 C ATOM 672 CE2 PHE A 41 4.245 36.942 4.641 1.00 33.45 C ATOM 673 CZ PHE A 41 4.805 37.361 3.451 1.00 62.21 C ATOM 0 H PHE A 41 1.749 31.407 3.239 1.00 52.54 H new ATOM 0 HA PHE A 41 4.335 32.534 3.098 1.00 63.25 H new ATOM 0 HB2 PHE A 41 2.014 33.593 2.696 1.00 21.31 H new ATOM 0 HB3 PHE A 41 1.894 33.739 4.438 1.00 21.31 H new ATOM 0 HD1 PHE A 41 3.825 34.817 1.471 1.00 4.45 H new ATOM 0 HD2 PHE A 41 3.096 35.436 5.622 1.00 20.41 H new ATOM 0 HE1 PHE A 41 5.093 36.919 1.380 1.00 44.11 H new ATOM 0 HE2 PHE A 41 4.363 37.538 5.534 1.00 33.45 H new ATOM 0 HZ PHE A 41 5.360 38.287 3.410 1.00 62.21 H new ATOM 683 N ASP A 42 3.108 32.110 6.144 1.00 50.41 N ATOM 684 CA ASP A 42 3.478 32.008 7.551 1.00 62.13 C ATOM 685 C ASP A 42 4.530 30.923 7.758 1.00 20.42 C ATOM 686 O ASP A 42 5.210 30.891 8.784 1.00 15.13 O ATOM 687 CB ASP A 42 2.245 31.710 8.404 1.00 34.33 C ATOM 688 CG ASP A 42 1.729 32.939 9.126 1.00 2.14 C ATOM 689 OD1 ASP A 42 1.673 34.016 8.497 1.00 3.23 O ATOM 690 OD2 ASP A 42 1.383 32.824 10.321 1.00 53.41 O ATOM 0 H ASP A 42 2.117 31.959 5.957 1.00 50.41 H new ATOM 0 HA ASP A 42 3.901 32.963 7.861 1.00 62.13 H new ATOM 0 HB2 ASP A 42 1.456 31.308 7.769 1.00 34.33 H new ATOM 0 HB3 ASP A 42 2.490 30.939 9.135 1.00 34.33 H new ATOM 695 N ARG A 43 4.658 30.034 6.778 1.00 53.41 N ATOM 696 CA ARG A 43 5.625 28.946 6.854 1.00 10.22 C ATOM 697 C ARG A 43 6.933 29.333 6.170 1.00 22.34 C ATOM 698 O ARG A 43 8.014 28.939 6.609 1.00 64.05 O ATOM 699 CB ARG A 43 5.054 27.682 6.209 1.00 22.12 C ATOM 700 CG ARG A 43 6.089 26.592 5.985 1.00 24.24 C ATOM 701 CD ARG A 43 6.786 26.210 7.282 1.00 1.42 C ATOM 702 NE ARG A 43 5.862 25.619 8.247 1.00 43.54 N ATOM 703 CZ ARG A 43 6.188 25.349 9.506 1.00 60.13 C ATOM 704 NH1 ARG A 43 7.408 25.615 9.950 1.00 4.41 N ATOM 705 NH2 ARG A 43 5.292 24.811 10.323 1.00 12.12 N ATOM 0 H ARG A 43 4.104 30.046 5.922 1.00 53.41 H new ATOM 0 HA ARG A 43 5.830 28.748 7.906 1.00 10.22 H new ATOM 0 HB2 ARG A 43 4.257 27.290 6.841 1.00 22.12 H new ATOM 0 HB3 ARG A 43 4.602 27.945 5.252 1.00 22.12 H new ATOM 0 HG2 ARG A 43 5.607 25.713 5.557 1.00 24.24 H new ATOM 0 HG3 ARG A 43 6.828 26.934 5.261 1.00 24.24 H new ATOM 0 HD2 ARG A 43 7.588 25.503 7.068 1.00 1.42 H new ATOM 0 HD3 ARG A 43 7.249 27.095 7.719 1.00 1.42 H new ATOM 0 HE ARG A 43 4.915 25.402 7.937 1.00 43.54 H new ATOM 0 HH11 ARG A 43 8.100 26.028 9.324 1.00 4.41 H new ATOM 0 HH12 ARG A 43 7.655 25.407 10.917 1.00 4.41 H new ATOM 0 HH21 ARG A 43 4.352 24.604 9.984 1.00 12.12 H new ATOM 0 HH22 ARG A 43 5.543 24.604 11.290 1.00 12.12 H new ATOM 719 N TYR A 44 6.827 30.105 5.095 1.00 73.22 N ATOM 720 CA TYR A 44 8.001 30.542 4.349 1.00 54.14 C ATOM 721 C TYR A 44 8.691 31.706 5.052 1.00 10.35 C ATOM 722 O TYR A 44 9.894 31.915 4.898 1.00 43.32 O ATOM 723 CB TYR A 44 7.605 30.952 2.929 1.00 11.01 C ATOM 724 CG TYR A 44 8.061 29.977 1.868 1.00 63.33 C ATOM 725 CD1 TYR A 44 9.303 30.112 1.259 1.00 11.12 C ATOM 726 CD2 TYR A 44 7.251 28.919 1.474 1.00 31.21 C ATOM 727 CE1 TYR A 44 9.723 29.224 0.289 1.00 64.34 C ATOM 728 CE2 TYR A 44 7.664 28.025 0.505 1.00 32.43 C ATOM 729 CZ TYR A 44 8.901 28.182 -0.085 1.00 35.42 C ATOM 730 OH TYR A 44 9.316 27.294 -1.050 1.00 64.43 O ATOM 0 H TYR A 44 5.940 30.441 4.720 1.00 73.22 H new ATOM 0 HA TYR A 44 8.699 29.707 4.298 1.00 54.14 H new ATOM 0 HB2 TYR A 44 6.521 31.051 2.878 1.00 11.01 H new ATOM 0 HB3 TYR A 44 8.025 31.934 2.713 1.00 11.01 H new ATOM 0 HD1 TYR A 44 9.951 30.926 1.550 1.00 11.12 H new ATOM 0 HD2 TYR A 44 6.282 28.793 1.933 1.00 31.21 H new ATOM 0 HE1 TYR A 44 10.691 29.345 -0.175 1.00 64.34 H new ATOM 0 HE2 TYR A 44 7.022 27.208 0.211 1.00 32.43 H new ATOM 0 HH TYR A 44 8.620 26.620 -1.195 1.00 64.43 H new ATOM 740 N VAL A 45 7.920 32.462 5.828 1.00 54.04 N ATOM 741 CA VAL A 45 8.455 33.605 6.558 1.00 63.32 C ATOM 742 C VAL A 45 9.613 33.188 7.458 1.00 70.10 C ATOM 743 O VAL A 45 10.502 33.987 7.752 1.00 25.42 O ATOM 744 CB VAL A 45 7.370 34.281 7.416 1.00 10.30 C ATOM 745 CG1 VAL A 45 6.309 34.917 6.531 1.00 11.51 C ATOM 746 CG2 VAL A 45 6.746 33.277 8.373 1.00 13.44 C ATOM 0 H VAL A 45 6.922 32.303 5.967 1.00 54.04 H new ATOM 0 HA VAL A 45 8.814 34.316 5.814 1.00 63.32 H new ATOM 0 HB VAL A 45 7.837 35.070 8.006 1.00 10.30 H new ATOM 0 HG11 VAL A 45 5.551 35.390 7.155 1.00 11.51 H new ATOM 0 HG12 VAL A 45 6.772 35.668 5.890 1.00 11.51 H new ATOM 0 HG13 VAL A 45 5.843 34.150 5.913 1.00 11.51 H new ATOM 0 HG21 VAL A 45 5.981 33.772 8.972 1.00 13.44 H new ATOM 0 HG22 VAL A 45 6.293 32.465 7.804 1.00 13.44 H new ATOM 0 HG23 VAL A 45 7.516 32.873 9.030 1.00 13.44 H new ATOM 756 N ARG A 46 9.595 31.932 7.892 1.00 64.11 N ATOM 757 CA ARG A 46 10.644 31.409 8.760 1.00 74.44 C ATOM 758 C ARG A 46 11.782 30.812 7.938 1.00 44.24 C ATOM 759 O ARG A 46 12.668 30.147 8.476 1.00 12.35 O ATOM 760 CB ARG A 46 10.072 30.349 9.703 1.00 22.23 C ATOM 761 CG ARG A 46 9.478 30.925 10.978 1.00 11.20 C ATOM 762 CD ARG A 46 10.293 30.531 12.200 1.00 13.52 C ATOM 763 NE ARG A 46 10.155 31.500 13.285 1.00 61.41 N ATOM 764 CZ ARG A 46 9.045 31.651 13.998 1.00 11.13 C ATOM 765 NH1 ARG A 46 7.982 30.901 13.743 1.00 14.33 N ATOM 766 NH2 ARG A 46 8.997 32.554 14.970 1.00 70.24 N ATOM 0 H ARG A 46 8.866 31.258 7.657 1.00 64.11 H new ATOM 0 HA ARG A 46 11.040 32.236 9.350 1.00 74.44 H new ATOM 0 HB2 ARG A 46 9.303 29.784 9.177 1.00 22.23 H new ATOM 0 HB3 ARG A 46 10.861 29.645 9.966 1.00 22.23 H new ATOM 0 HG2 ARG A 46 9.436 32.012 10.902 1.00 11.20 H new ATOM 0 HG3 ARG A 46 8.453 30.573 11.094 1.00 11.20 H new ATOM 0 HD2 ARG A 46 9.973 29.549 12.548 1.00 13.52 H new ATOM 0 HD3 ARG A 46 11.344 30.444 11.923 1.00 13.52 H new ATOM 0 HE ARG A 46 10.955 32.093 13.507 1.00 61.41 H new ATOM 0 HH11 ARG A 46 8.015 30.206 12.997 1.00 14.33 H new ATOM 0 HH12 ARG A 46 7.131 31.019 14.292 1.00 14.33 H new ATOM 0 HH21 ARG A 46 9.813 33.132 15.170 1.00 70.24 H new ATOM 0 HH22 ARG A 46 8.144 32.669 15.517 1.00 70.24 H new ATOM 780 N ILE A 47 11.752 31.054 6.631 1.00 2.25 N ATOM 781 CA ILE A 47 12.782 30.542 5.736 1.00 32.40 C ATOM 782 C ILE A 47 13.303 31.638 4.813 1.00 23.03 C ATOM 783 O ILE A 47 14.434 32.101 4.960 1.00 4.01 O ATOM 784 CB ILE A 47 12.254 29.375 4.881 1.00 70.51 C ATOM 785 CG1 ILE A 47 11.797 28.222 5.778 1.00 43.21 C ATOM 786 CG2 ILE A 47 13.325 28.904 3.909 1.00 62.35 C ATOM 787 CD1 ILE A 47 10.820 27.284 5.105 1.00 32.14 C ATOM 0 H ILE A 47 11.026 31.601 6.169 1.00 2.25 H new ATOM 0 HA ILE A 47 13.597 30.183 6.365 1.00 32.40 H new ATOM 0 HB ILE A 47 11.397 29.725 4.306 1.00 70.51 H new ATOM 0 HG12 ILE A 47 12.670 27.654 6.100 1.00 43.21 H new ATOM 0 HG13 ILE A 47 11.335 28.632 6.676 1.00 43.21 H new ATOM 0 HG21 ILE A 47 12.937 28.079 3.312 1.00 62.35 H new ATOM 0 HG22 ILE A 47 13.607 29.727 3.252 1.00 62.35 H new ATOM 0 HG23 ILE A 47 14.200 28.569 4.466 1.00 62.35 H new ATOM 0 HD11 ILE A 47 10.539 26.492 5.799 1.00 32.14 H new ATOM 0 HD12 ILE A 47 9.930 27.838 4.808 1.00 32.14 H new ATOM 0 HD13 ILE A 47 11.286 26.845 4.223 1.00 32.14 H new ATOM 799 N SER A 48 12.470 32.050 3.863 1.00 3.11 N ATOM 800 CA SER A 48 12.848 33.091 2.914 1.00 13.35 C ATOM 801 C SER A 48 11.846 34.242 2.943 1.00 31.44 C ATOM 802 O SER A 48 12.207 35.399 2.730 1.00 11.24 O ATOM 803 CB SER A 48 12.938 32.514 1.501 1.00 50.15 C ATOM 804 OG SER A 48 13.464 31.198 1.519 1.00 3.53 O ATOM 0 H SER A 48 11.529 31.679 3.730 1.00 3.11 H new ATOM 0 HA SER A 48 13.826 33.476 3.204 1.00 13.35 H new ATOM 0 HB2 SER A 48 11.948 32.507 1.044 1.00 50.15 H new ATOM 0 HB3 SER A 48 13.570 33.153 0.884 1.00 50.15 H new ATOM 0 HG SER A 48 14.363 31.210 1.908 1.00 3.53 H new ATOM 810 N ASP A 49 10.586 33.914 3.208 1.00 22.14 N ATOM 811 CA ASP A 49 9.531 34.919 3.267 1.00 72.44 C ATOM 812 C ASP A 49 9.258 35.501 1.883 1.00 1.13 C ATOM 813 O ASP A 49 9.443 36.696 1.653 1.00 2.44 O ATOM 814 CB ASP A 49 9.914 36.036 4.238 1.00 44.33 C ATOM 815 CG ASP A 49 8.704 36.750 4.807 1.00 73.25 C ATOM 816 OD1 ASP A 49 7.625 36.680 4.180 1.00 1.44 O ATOM 817 OD2 ASP A 49 8.834 37.377 5.878 1.00 25.03 O ATOM 0 H ASP A 49 10.271 32.960 3.385 1.00 22.14 H new ATOM 0 HA ASP A 49 8.622 34.435 3.624 1.00 72.44 H new ATOM 0 HB2 ASP A 49 10.502 35.617 5.055 1.00 44.33 H new ATOM 0 HB3 ASP A 49 10.550 36.757 3.725 1.00 44.33 H new ATOM 822 N LYS A 50 8.818 34.648 0.964 1.00 0.42 N ATOM 823 CA LYS A 50 8.519 35.077 -0.397 1.00 63.01 C ATOM 824 C LYS A 50 7.923 33.932 -1.209 1.00 72.14 C ATOM 825 O LYS A 50 8.232 33.768 -2.390 1.00 22.34 O ATOM 826 CB LYS A 50 9.787 35.595 -1.080 1.00 72.04 C ATOM 827 CG LYS A 50 10.822 34.515 -1.341 1.00 61.42 C ATOM 828 CD LYS A 50 12.112 34.785 -0.585 1.00 63.54 C ATOM 829 CE LYS A 50 12.763 36.082 -1.039 1.00 51.40 C ATOM 830 NZ LYS A 50 14.246 35.965 -1.106 1.00 51.53 N ATOM 0 H LYS A 50 8.661 33.655 1.137 1.00 0.42 H new ATOM 0 HA LYS A 50 7.786 35.882 -0.345 1.00 63.01 H new ATOM 0 HB2 LYS A 50 9.515 36.062 -2.027 1.00 72.04 H new ATOM 0 HB3 LYS A 50 10.233 36.371 -0.458 1.00 72.04 H new ATOM 0 HG2 LYS A 50 10.421 33.546 -1.044 1.00 61.42 H new ATOM 0 HG3 LYS A 50 11.030 34.460 -2.410 1.00 61.42 H new ATOM 0 HD2 LYS A 50 11.905 34.835 0.484 1.00 63.54 H new ATOM 0 HD3 LYS A 50 12.804 33.957 -0.737 1.00 63.54 H new ATOM 0 HE2 LYS A 50 12.376 36.359 -2.020 1.00 51.40 H new ATOM 0 HE3 LYS A 50 12.493 36.884 -0.352 1.00 51.40 H new ATOM 0 HZ1 LYS A 50 14.652 36.870 -1.419 1.00 51.53 H new ATOM 0 HZ2 LYS A 50 14.618 35.726 -0.165 1.00 51.53 H new ATOM 0 HZ3 LYS A 50 14.505 35.217 -1.781 1.00 51.53 H new ATOM 844 N VAL A 51 7.065 33.143 -0.570 1.00 71.12 N ATOM 845 CA VAL A 51 6.423 32.015 -1.234 1.00 70.24 C ATOM 846 C VAL A 51 5.725 32.456 -2.516 1.00 45.11 C ATOM 847 O VAL A 51 5.849 31.811 -3.557 1.00 65.31 O ATOM 848 CB VAL A 51 5.395 31.332 -0.313 1.00 23.43 C ATOM 849 CG1 VAL A 51 4.403 32.350 0.228 1.00 20.32 C ATOM 850 CG2 VAL A 51 4.675 30.215 -1.054 1.00 25.14 C ATOM 0 H VAL A 51 6.798 33.264 0.407 1.00 71.12 H new ATOM 0 HA VAL A 51 7.211 31.303 -1.479 1.00 70.24 H new ATOM 0 HB VAL A 51 5.926 30.893 0.532 1.00 23.43 H new ATOM 0 HG11 VAL A 51 3.685 31.849 0.877 1.00 20.32 H new ATOM 0 HG12 VAL A 51 4.937 33.111 0.797 1.00 20.32 H new ATOM 0 HG13 VAL A 51 3.876 32.821 -0.602 1.00 20.32 H new ATOM 0 HG21 VAL A 51 3.952 29.743 -0.388 1.00 25.14 H new ATOM 0 HG22 VAL A 51 4.156 30.628 -1.919 1.00 25.14 H new ATOM 0 HG23 VAL A 51 5.400 29.472 -1.387 1.00 25.14 H new ATOM 860 N VAL A 52 4.991 33.561 -2.434 1.00 3.24 N ATOM 861 CA VAL A 52 4.275 34.091 -3.588 1.00 35.25 C ATOM 862 C VAL A 52 5.220 34.330 -4.759 1.00 71.04 C ATOM 863 O VAL A 52 4.849 34.145 -5.918 1.00 30.24 O ATOM 864 CB VAL A 52 3.556 35.409 -3.245 1.00 15.21 C ATOM 865 CG1 VAL A 52 3.060 36.092 -4.511 1.00 32.23 C ATOM 866 CG2 VAL A 52 2.406 35.154 -2.282 1.00 30.12 C ATOM 0 H VAL A 52 4.877 34.107 -1.580 1.00 3.24 H new ATOM 0 HA VAL A 52 3.533 33.344 -3.871 1.00 35.25 H new ATOM 0 HB VAL A 52 4.268 36.074 -2.757 1.00 15.21 H new ATOM 0 HG11 VAL A 52 2.555 37.022 -4.249 1.00 32.23 H new ATOM 0 HG12 VAL A 52 3.906 36.310 -5.162 1.00 32.23 H new ATOM 0 HG13 VAL A 52 2.363 35.434 -5.030 1.00 32.23 H new ATOM 0 HG21 VAL A 52 1.909 36.096 -2.051 1.00 30.12 H new ATOM 0 HG22 VAL A 52 1.692 34.471 -2.741 1.00 30.12 H new ATOM 0 HG23 VAL A 52 2.792 34.712 -1.363 1.00 30.12 H new ATOM 876 N GLY A 53 6.445 34.743 -4.450 1.00 24.44 N ATOM 877 CA GLY A 53 7.426 35.000 -5.488 1.00 0.21 C ATOM 878 C GLY A 53 7.919 33.728 -6.148 1.00 71.03 C ATOM 879 O GLY A 53 8.248 33.724 -7.335 1.00 13.20 O ATOM 0 H GLY A 53 6.776 34.904 -3.499 1.00 24.44 H new ATOM 0 HA2 GLY A 53 6.988 35.652 -6.244 1.00 0.21 H new ATOM 0 HA3 GLY A 53 8.273 35.535 -5.058 1.00 0.21 H new ATOM 883 N ILE A 54 7.972 32.646 -5.379 1.00 1.12 N ATOM 884 CA ILE A 54 8.429 31.363 -5.897 1.00 22.43 C ATOM 885 C ILE A 54 7.348 30.693 -6.739 1.00 3.05 C ATOM 886 O ILE A 54 7.644 30.008 -7.719 1.00 4.52 O ATOM 887 CB ILE A 54 8.841 30.410 -4.758 1.00 51.53 C ATOM 888 CG1 ILE A 54 9.946 31.043 -3.910 1.00 20.22 C ATOM 889 CG2 ILE A 54 9.299 29.075 -5.325 1.00 30.24 C ATOM 890 CD1 ILE A 54 9.733 30.879 -2.421 1.00 41.32 C ATOM 0 H ILE A 54 7.704 32.632 -4.395 1.00 1.12 H new ATOM 0 HA ILE A 54 9.299 31.567 -6.522 1.00 22.43 H new ATOM 0 HB ILE A 54 7.975 30.233 -4.120 1.00 51.53 H new ATOM 0 HG12 ILE A 54 10.903 30.598 -4.183 1.00 20.22 H new ATOM 0 HG13 ILE A 54 10.010 32.105 -4.145 1.00 20.22 H new ATOM 0 HG21 ILE A 54 9.587 28.412 -4.509 1.00 30.24 H new ATOM 0 HG22 ILE A 54 8.485 28.621 -5.891 1.00 30.24 H new ATOM 0 HG23 ILE A 54 10.154 29.233 -5.983 1.00 30.24 H new ATOM 0 HD11 ILE A 54 10.554 31.352 -1.882 1.00 41.32 H new ATOM 0 HD12 ILE A 54 8.792 31.349 -2.134 1.00 41.32 H new ATOM 0 HD13 ILE A 54 9.699 29.818 -2.173 1.00 41.32 H new ATOM 902 N LEU A 55 6.094 30.896 -6.351 1.00 0.11 N ATOM 903 CA LEU A 55 4.967 30.314 -7.071 1.00 71.30 C ATOM 904 C LEU A 55 5.051 30.629 -8.561 1.00 40.10 C ATOM 905 O LEU A 55 4.605 29.844 -9.398 1.00 4.34 O ATOM 906 CB LEU A 55 3.647 30.837 -6.501 1.00 61.51 C ATOM 907 CG LEU A 55 3.301 30.382 -5.083 1.00 24.42 C ATOM 908 CD1 LEU A 55 1.908 30.853 -4.696 1.00 23.13 C ATOM 909 CD2 LEU A 55 3.405 28.868 -4.968 1.00 63.31 C ATOM 0 H LEU A 55 5.832 31.459 -5.542 1.00 0.11 H new ATOM 0 HA LEU A 55 5.007 29.232 -6.945 1.00 71.30 H new ATOM 0 HB2 LEU A 55 3.675 31.927 -6.515 1.00 61.51 H new ATOM 0 HB3 LEU A 55 2.840 30.530 -7.167 1.00 61.51 H new ATOM 0 HG LEU A 55 4.018 30.829 -4.394 1.00 24.42 H new ATOM 0 HD11 LEU A 55 1.679 30.520 -3.684 1.00 23.13 H new ATOM 0 HD12 LEU A 55 1.867 31.941 -4.738 1.00 23.13 H new ATOM 0 HD13 LEU A 55 1.177 30.436 -5.389 1.00 23.13 H new ATOM 0 HD21 LEU A 55 3.155 28.562 -3.952 1.00 63.31 H new ATOM 0 HD22 LEU A 55 2.712 28.401 -5.668 1.00 63.31 H new ATOM 0 HD23 LEU A 55 4.422 28.554 -5.202 1.00 63.31 H new ATOM 921 N MET A 56 5.627 31.782 -8.885 1.00 3.11 N ATOM 922 CA MET A 56 5.773 32.199 -10.275 1.00 10.34 C ATOM 923 C MET A 56 6.548 31.159 -11.076 1.00 62.53 C ATOM 924 O MET A 56 6.301 30.969 -12.267 1.00 64.04 O ATOM 925 CB MET A 56 6.483 33.552 -10.352 1.00 2.15 C ATOM 926 CG MET A 56 5.777 34.654 -9.578 1.00 24.10 C ATOM 927 SD MET A 56 6.274 36.304 -10.110 1.00 21.33 S ATOM 928 CE MET A 56 4.715 36.950 -10.710 1.00 30.33 C ATOM 0 H MET A 56 6.000 32.444 -8.204 1.00 3.11 H new ATOM 0 HA MET A 56 4.776 32.295 -10.706 1.00 10.34 H new ATOM 0 HB2 MET A 56 7.498 33.443 -9.969 1.00 2.15 H new ATOM 0 HB3 MET A 56 6.567 33.850 -11.397 1.00 2.15 H new ATOM 0 HG2 MET A 56 4.699 34.546 -9.701 1.00 24.10 H new ATOM 0 HG3 MET A 56 5.990 34.540 -8.515 1.00 24.10 H new ATOM 0 HE1 MET A 56 4.859 37.967 -11.074 1.00 30.33 H new ATOM 0 HE2 MET A 56 4.349 36.322 -11.522 1.00 30.33 H new ATOM 0 HE3 MET A 56 3.987 36.955 -9.899 1.00 30.33 H new ATOM 938 N ARG A 57 7.486 30.487 -10.416 1.00 11.34 N ATOM 939 CA ARG A 57 8.298 29.467 -11.068 1.00 11.03 C ATOM 940 C ARG A 57 7.467 28.225 -11.375 1.00 33.34 C ATOM 941 O ARG A 57 7.502 27.701 -12.488 1.00 4.42 O ATOM 942 CB ARG A 57 9.489 29.091 -10.184 1.00 40.34 C ATOM 943 CG ARG A 57 10.256 27.877 -10.681 1.00 20.44 C ATOM 944 CD ARG A 57 11.383 27.503 -9.731 1.00 1.15 C ATOM 945 NE ARG A 57 12.403 28.546 -9.655 1.00 30.35 N ATOM 946 CZ ARG A 57 13.288 28.638 -8.668 1.00 71.42 C ATOM 947 NH1 ARG A 57 13.278 27.754 -7.680 1.00 23.31 N ATOM 948 NH2 ARG A 57 14.185 29.615 -8.669 1.00 64.13 N ATOM 0 H ARG A 57 7.702 30.631 -9.430 1.00 11.34 H new ATOM 0 HA ARG A 57 8.667 29.878 -12.008 1.00 11.03 H new ATOM 0 HB2 ARG A 57 10.169 29.941 -10.124 1.00 40.34 H new ATOM 0 HB3 ARG A 57 9.133 28.896 -9.172 1.00 40.34 H new ATOM 0 HG2 ARG A 57 9.574 27.033 -10.788 1.00 20.44 H new ATOM 0 HG3 ARG A 57 10.666 28.084 -11.670 1.00 20.44 H new ATOM 0 HD2 ARG A 57 10.974 27.322 -8.737 1.00 1.15 H new ATOM 0 HD3 ARG A 57 11.841 26.571 -10.061 1.00 1.15 H new ATOM 0 HE ARG A 57 12.438 29.242 -10.400 1.00 30.35 H new ATOM 0 HH11 ARG A 57 12.590 27.001 -7.676 1.00 23.31 H new ATOM 0 HH12 ARG A 57 13.958 27.827 -6.924 1.00 23.31 H new ATOM 0 HH21 ARG A 57 14.196 30.297 -9.428 1.00 64.13 H new ATOM 0 HH22 ARG A 57 14.864 29.685 -7.911 1.00 64.13 H new ATOM 962 N ALA A 58 6.720 27.758 -10.379 1.00 53.23 N ATOM 963 CA ALA A 58 5.879 26.579 -10.543 1.00 72.02 C ATOM 964 C ALA A 58 4.755 26.840 -11.541 1.00 2.25 C ATOM 965 O ALA A 58 4.307 25.930 -12.237 1.00 35.51 O ATOM 966 CB ALA A 58 5.306 26.148 -9.201 1.00 1.51 C ATOM 0 H ALA A 58 6.681 28.178 -9.451 1.00 53.23 H new ATOM 0 HA ALA A 58 6.499 25.774 -10.936 1.00 72.02 H new ATOM 0 HB1 ALA A 58 4.680 25.266 -9.339 1.00 1.51 H new ATOM 0 HB2 ALA A 58 6.121 25.911 -8.517 1.00 1.51 H new ATOM 0 HB3 ALA A 58 4.706 26.957 -8.785 1.00 1.51 H new ATOM 972 N ARG A 59 4.305 28.089 -11.604 1.00 34.15 N ATOM 973 CA ARG A 59 3.232 28.469 -12.515 1.00 33.14 C ATOM 974 C ARG A 59 3.659 28.279 -13.967 1.00 71.50 C ATOM 975 O ARG A 59 2.828 28.046 -14.845 1.00 34.21 O ATOM 976 CB ARG A 59 2.825 29.924 -12.278 1.00 54.51 C ATOM 977 CG ARG A 59 1.471 30.282 -12.870 1.00 1.21 C ATOM 978 CD ARG A 59 1.604 30.791 -14.297 1.00 33.41 C ATOM 979 NE ARG A 59 1.277 32.210 -14.405 1.00 20.12 N ATOM 980 CZ ARG A 59 1.417 32.913 -15.523 1.00 14.20 C ATOM 981 NH1 ARG A 59 1.874 32.332 -16.623 1.00 70.42 N ATOM 982 NH2 ARG A 59 1.098 34.201 -15.542 1.00 52.23 N ATOM 0 H ARG A 59 4.667 28.855 -11.035 1.00 34.15 H new ATOM 0 HA ARG A 59 2.376 27.823 -12.319 1.00 33.14 H new ATOM 0 HB2 ARG A 59 2.806 30.117 -11.205 1.00 54.51 H new ATOM 0 HB3 ARG A 59 3.584 30.579 -12.706 1.00 54.51 H new ATOM 0 HG2 ARG A 59 0.823 29.406 -12.854 1.00 1.21 H new ATOM 0 HG3 ARG A 59 0.993 31.044 -12.254 1.00 1.21 H new ATOM 0 HD2 ARG A 59 2.623 30.626 -14.647 1.00 33.41 H new ATOM 0 HD3 ARG A 59 0.946 30.217 -14.949 1.00 33.41 H new ATOM 0 HE ARG A 59 0.922 32.687 -13.577 1.00 20.12 H new ATOM 0 HH11 ARG A 59 2.119 31.342 -16.613 1.00 70.42 H new ATOM 0 HH12 ARG A 59 1.980 32.875 -17.480 1.00 70.42 H new ATOM 0 HH21 ARG A 59 0.745 34.652 -14.698 1.00 52.23 H new ATOM 0 HH22 ARG A 59 1.206 34.740 -16.401 1.00 52.23 H new ATOM 996 N LYS A 60 4.961 28.380 -14.214 1.00 34.45 N ATOM 997 CA LYS A 60 5.500 28.218 -15.559 1.00 10.15 C ATOM 998 C LYS A 60 5.013 26.916 -16.187 1.00 44.32 C ATOM 999 O LYS A 60 4.844 26.828 -17.404 1.00 11.13 O ATOM 1000 CB LYS A 60 7.030 28.239 -15.523 1.00 12.03 C ATOM 1001 CG LYS A 60 7.606 29.487 -14.876 1.00 61.21 C ATOM 1002 CD LYS A 60 8.039 30.505 -15.917 1.00 44.04 C ATOM 1003 CE LYS A 60 7.533 31.899 -15.579 1.00 34.41 C ATOM 1004 NZ LYS A 60 8.136 32.937 -16.459 1.00 50.21 N ATOM 0 H LYS A 60 5.663 28.573 -13.499 1.00 34.45 H new ATOM 0 HA LYS A 60 5.146 29.049 -16.168 1.00 10.15 H new ATOM 0 HB2 LYS A 60 7.384 27.362 -14.981 1.00 12.03 H new ATOM 0 HB3 LYS A 60 7.410 28.159 -16.541 1.00 12.03 H new ATOM 0 HG2 LYS A 60 6.861 29.933 -14.217 1.00 61.21 H new ATOM 0 HG3 LYS A 60 8.459 29.215 -14.255 1.00 61.21 H new ATOM 0 HD2 LYS A 60 9.127 30.518 -15.984 1.00 44.04 H new ATOM 0 HD3 LYS A 60 7.663 30.208 -16.896 1.00 44.04 H new ATOM 0 HE2 LYS A 60 6.448 31.925 -15.678 1.00 34.41 H new ATOM 0 HE3 LYS A 60 7.764 32.127 -14.538 1.00 34.41 H new ATOM 0 HZ1 LYS A 60 7.765 33.873 -16.196 1.00 50.21 H new ATOM 0 HZ2 LYS A 60 9.170 32.930 -16.346 1.00 50.21 H new ATOM 0 HZ3 LYS A 60 7.895 32.735 -17.450 1.00 50.21 H new ATOM 1018 N HIS A 61 4.789 25.908 -15.351 1.00 20.04 N ATOM 1019 CA HIS A 61 4.319 24.611 -15.825 1.00 5.01 C ATOM 1020 C HIS A 61 2.910 24.325 -15.317 1.00 74.31 C ATOM 1021 O HIS A 61 2.496 23.170 -15.221 1.00 41.04 O ATOM 1022 CB HIS A 61 5.272 23.504 -15.373 1.00 33.44 C ATOM 1023 CG HIS A 61 6.610 23.554 -16.043 1.00 3.15 C ATOM 1024 ND1 HIS A 61 6.765 23.596 -17.412 1.00 44.31 N ATOM 1025 CD2 HIS A 61 7.860 23.571 -15.523 1.00 62.32 C ATOM 1026 CE1 HIS A 61 8.053 23.635 -17.706 1.00 73.12 C ATOM 1027 NE2 HIS A 61 8.739 23.621 -16.578 1.00 34.25 N ATOM 0 H HIS A 61 4.925 25.964 -14.342 1.00 20.04 H new ATOM 0 HA HIS A 61 4.295 24.637 -16.914 1.00 5.01 H new ATOM 0 HB2 HIS A 61 5.412 23.575 -14.294 1.00 33.44 H new ATOM 0 HB3 HIS A 61 4.812 22.536 -15.572 1.00 33.44 H new ATOM 0 HD2 HIS A 61 8.118 23.549 -14.475 1.00 62.32 H new ATOM 0 HE1 HIS A 61 8.473 23.672 -18.700 1.00 73.12 H new ATOM 0 HE2 HIS A 61 9.756 23.644 -16.502 1.00 34.25 H new ATOM 1035 N GLY A 62 2.176 25.385 -14.992 1.00 31.01 N ATOM 1036 CA GLY A 62 0.821 25.226 -14.497 1.00 20.01 C ATOM 1037 C GLY A 62 0.737 24.251 -13.339 1.00 63.25 C ATOM 1038 O GLY A 62 0.157 23.172 -13.468 1.00 24.33 O ATOM 0 H GLY A 62 2.496 26.351 -15.063 1.00 31.01 H new ATOM 0 HA2 GLY A 62 0.437 26.196 -14.180 1.00 20.01 H new ATOM 0 HA3 GLY A 62 0.180 24.879 -15.307 1.00 20.01 H new ATOM 1042 N LEU A 63 1.319 24.629 -12.206 1.00 74.24 N ATOM 1043 CA LEU A 63 1.309 23.779 -11.021 1.00 32.22 C ATOM 1044 C LEU A 63 0.493 24.416 -9.901 1.00 2.35 C ATOM 1045 O LEU A 63 0.096 23.745 -8.948 1.00 73.23 O ATOM 1046 CB LEU A 63 2.739 23.520 -10.543 1.00 13.43 C ATOM 1047 CG LEU A 63 2.885 23.009 -9.109 1.00 11.20 C ATOM 1048 CD1 LEU A 63 4.076 22.071 -8.996 1.00 20.52 C ATOM 1049 CD2 LEU A 63 3.027 24.174 -8.140 1.00 21.55 C ATOM 0 H LEU A 63 1.803 25.518 -12.083 1.00 74.24 H new ATOM 0 HA LEU A 63 0.845 22.830 -11.289 1.00 32.22 H new ATOM 0 HB2 LEU A 63 3.200 22.795 -11.214 1.00 13.43 H new ATOM 0 HB3 LEU A 63 3.306 24.446 -10.637 1.00 13.43 H new ATOM 0 HG LEU A 63 1.985 22.453 -8.848 1.00 11.20 H new ATOM 0 HD11 LEU A 63 4.164 21.717 -7.969 1.00 20.52 H new ATOM 0 HD12 LEU A 63 3.933 21.220 -9.662 1.00 20.52 H new ATOM 0 HD13 LEU A 63 4.986 22.602 -9.276 1.00 20.52 H new ATOM 0 HD21 LEU A 63 3.130 23.792 -7.124 1.00 21.55 H new ATOM 0 HD22 LEU A 63 3.910 24.757 -8.399 1.00 21.55 H new ATOM 0 HD23 LEU A 63 2.143 24.808 -8.201 1.00 21.55 H new ATOM 1061 N VAL A 64 0.245 25.717 -10.022 1.00 24.40 N ATOM 1062 CA VAL A 64 -0.526 26.445 -9.022 1.00 21.45 C ATOM 1063 C VAL A 64 -1.859 26.916 -9.592 1.00 1.24 C ATOM 1064 O VAL A 64 -1.898 27.722 -10.522 1.00 74.54 O ATOM 1065 CB VAL A 64 0.252 27.663 -8.490 1.00 24.21 C ATOM 1066 CG1 VAL A 64 1.330 27.222 -7.510 1.00 54.44 C ATOM 1067 CG2 VAL A 64 0.857 28.452 -9.641 1.00 63.22 C ATOM 0 H VAL A 64 0.567 26.288 -10.803 1.00 24.40 H new ATOM 0 HA VAL A 64 -0.710 25.754 -8.199 1.00 21.45 H new ATOM 0 HB VAL A 64 -0.443 28.313 -7.959 1.00 24.21 H new ATOM 0 HG11 VAL A 64 1.869 28.096 -7.145 1.00 54.44 H new ATOM 0 HG12 VAL A 64 0.868 26.703 -6.670 1.00 54.44 H new ATOM 0 HG13 VAL A 64 2.026 26.550 -8.013 1.00 54.44 H new ATOM 0 HG21 VAL A 64 1.403 29.309 -9.247 1.00 63.22 H new ATOM 0 HG22 VAL A 64 1.540 27.813 -10.201 1.00 63.22 H new ATOM 0 HG23 VAL A 64 0.062 28.800 -10.301 1.00 63.22 H new ATOM 1077 N HIS A 65 -2.950 26.410 -9.027 1.00 34.34 N ATOM 1078 CA HIS A 65 -4.287 26.780 -9.478 1.00 0.11 C ATOM 1079 C HIS A 65 -4.747 28.072 -8.810 1.00 14.23 C ATOM 1080 O HIS A 65 -5.876 28.521 -9.014 1.00 22.44 O ATOM 1081 CB HIS A 65 -5.279 25.656 -9.179 1.00 31.15 C ATOM 1082 CG HIS A 65 -6.354 25.514 -10.212 1.00 44.23 C ATOM 1083 ND1 HIS A 65 -7.693 25.417 -9.898 1.00 25.24 N ATOM 1084 CD2 HIS A 65 -6.281 25.456 -11.563 1.00 23.44 C ATOM 1085 CE1 HIS A 65 -8.397 25.302 -11.009 1.00 43.55 C ATOM 1086 NE2 HIS A 65 -7.564 25.324 -12.034 1.00 63.23 N ATOM 0 H HIS A 65 -2.935 25.743 -8.256 1.00 34.34 H new ATOM 0 HA HIS A 65 -4.248 26.942 -10.555 1.00 0.11 H new ATOM 0 HB2 HIS A 65 -4.735 24.714 -9.101 1.00 31.15 H new ATOM 0 HB3 HIS A 65 -5.741 25.839 -8.209 1.00 31.15 H new ATOM 0 HD2 HIS A 65 -5.382 25.505 -12.159 1.00 23.44 H new ATOM 0 HE1 HIS A 65 -9.471 25.206 -11.069 1.00 43.55 H new ATOM 0 HE2 HIS A 65 -7.831 25.254 -13.016 1.00 63.23 H new ATOM 1094 N PHE A 66 -3.867 28.666 -8.011 1.00 21.33 N ATOM 1095 CA PHE A 66 -4.184 29.905 -7.311 1.00 43.30 C ATOM 1096 C PHE A 66 -4.688 30.966 -8.285 1.00 73.01 C ATOM 1097 O PHE A 66 -4.470 30.868 -9.492 1.00 41.41 O ATOM 1098 CB PHE A 66 -2.952 30.425 -6.567 1.00 22.11 C ATOM 1099 CG PHE A 66 -1.995 31.179 -7.445 1.00 40.31 C ATOM 1100 CD1 PHE A 66 -1.480 30.597 -8.592 1.00 21.42 C ATOM 1101 CD2 PHE A 66 -1.611 32.471 -7.124 1.00 40.32 C ATOM 1102 CE1 PHE A 66 -0.599 31.288 -9.401 1.00 43.41 C ATOM 1103 CE2 PHE A 66 -0.730 33.168 -7.930 1.00 13.30 C ATOM 1104 CZ PHE A 66 -0.224 32.576 -9.070 1.00 54.35 C ATOM 0 H PHE A 66 -2.928 28.309 -7.832 1.00 21.33 H new ATOM 0 HA PHE A 66 -4.974 29.694 -6.590 1.00 43.30 H new ATOM 0 HB2 PHE A 66 -3.276 31.075 -5.754 1.00 22.11 H new ATOM 0 HB3 PHE A 66 -2.430 29.583 -6.113 1.00 22.11 H new ATOM 0 HD1 PHE A 66 -1.771 29.591 -8.857 1.00 21.42 H new ATOM 0 HD2 PHE A 66 -2.004 32.939 -6.234 1.00 40.32 H new ATOM 0 HE1 PHE A 66 -0.204 30.822 -10.291 1.00 43.41 H new ATOM 0 HE2 PHE A 66 -0.438 34.174 -7.668 1.00 13.30 H new ATOM 0 HZ PHE A 66 0.464 33.119 -9.702 1.00 54.35 H new ATOM 1114 N GLU A 67 -5.365 31.978 -7.751 1.00 25.05 N ATOM 1115 CA GLU A 67 -5.901 33.056 -8.573 1.00 35.03 C ATOM 1116 C GLU A 67 -5.069 34.325 -8.417 1.00 41.31 C ATOM 1117 O GLU A 67 -4.430 34.540 -7.388 1.00 33.44 O ATOM 1118 CB GLU A 67 -7.357 33.338 -8.196 1.00 13.34 C ATOM 1119 CG GLU A 67 -7.579 33.498 -6.701 1.00 2.21 C ATOM 1120 CD GLU A 67 -8.732 34.428 -6.378 1.00 51.22 C ATOM 1121 OE1 GLU A 67 -8.496 35.650 -6.268 1.00 65.41 O ATOM 1122 OE2 GLU A 67 -9.870 33.935 -6.236 1.00 15.44 O ATOM 0 H GLU A 67 -5.555 32.074 -6.753 1.00 25.05 H new ATOM 0 HA GLU A 67 -5.857 32.740 -9.615 1.00 35.03 H new ATOM 0 HB2 GLU A 67 -7.685 34.246 -8.703 1.00 13.34 H new ATOM 0 HB3 GLU A 67 -7.983 32.524 -8.563 1.00 13.34 H new ATOM 0 HG2 GLU A 67 -7.771 32.520 -6.260 1.00 2.21 H new ATOM 0 HG3 GLU A 67 -6.668 33.882 -6.241 1.00 2.21 H new ATOM 1129 N GLY A 68 -5.081 35.164 -9.449 1.00 11.45 N ATOM 1130 CA GLY A 68 -4.323 36.401 -9.407 1.00 55.54 C ATOM 1131 C GLY A 68 -2.842 36.182 -9.641 1.00 1.11 C ATOM 1132 O GLY A 68 -2.325 35.091 -9.402 1.00 41.40 O ATOM 0 H GLY A 68 -5.602 35.009 -10.312 1.00 11.45 H new ATOM 0 HA2 GLY A 68 -4.709 37.086 -10.162 1.00 55.54 H new ATOM 0 HA3 GLY A 68 -4.468 36.879 -8.438 1.00 55.54 H new ATOM 1136 N GLU A 69 -2.158 37.221 -10.110 1.00 71.15 N ATOM 1137 CA GLU A 69 -0.727 37.135 -10.379 1.00 34.44 C ATOM 1138 C GLU A 69 0.073 37.168 -9.079 1.00 74.25 C ATOM 1139 O GLU A 69 1.241 36.783 -9.048 1.00 1.20 O ATOM 1140 CB GLU A 69 -0.287 38.281 -11.291 1.00 42.11 C ATOM 1141 CG GLU A 69 -0.795 38.154 -12.717 1.00 74.22 C ATOM 1142 CD GLU A 69 0.146 38.777 -13.730 1.00 33.20 C ATOM 1143 OE1 GLU A 69 0.001 39.985 -14.011 1.00 32.33 O ATOM 1144 OE2 GLU A 69 1.028 38.055 -14.242 1.00 14.35 O ATOM 0 H GLU A 69 -2.571 38.132 -10.311 1.00 71.15 H new ATOM 0 HA GLU A 69 -0.534 36.187 -10.881 1.00 34.44 H new ATOM 0 HB2 GLU A 69 -0.639 39.223 -10.872 1.00 42.11 H new ATOM 0 HB3 GLU A 69 0.802 38.325 -11.305 1.00 42.11 H new ATOM 0 HG2 GLU A 69 -0.934 37.100 -12.956 1.00 74.22 H new ATOM 0 HG3 GLU A 69 -1.773 38.630 -12.794 1.00 74.22 H new ATOM 1151 N MET A 70 -0.566 37.631 -8.010 1.00 30.11 N ATOM 1152 CA MET A 70 0.085 37.714 -6.708 1.00 4.01 C ATOM 1153 C MET A 70 -0.935 37.593 -5.581 1.00 31.43 C ATOM 1154 O MET A 70 -2.140 37.719 -5.804 1.00 1.10 O ATOM 1155 CB MET A 70 0.850 39.033 -6.580 1.00 31.05 C ATOM 1156 CG MET A 70 1.930 39.214 -7.633 1.00 42.25 C ATOM 1157 SD MET A 70 2.840 40.759 -7.437 1.00 70.51 S ATOM 1158 CE MET A 70 4.348 40.168 -6.673 1.00 3.03 C ATOM 0 H MET A 70 -1.533 37.954 -8.020 1.00 30.11 H new ATOM 0 HA MET A 70 0.788 36.885 -6.628 1.00 4.01 H new ATOM 0 HB2 MET A 70 0.144 39.861 -6.649 1.00 31.05 H new ATOM 0 HB3 MET A 70 1.306 39.085 -5.591 1.00 31.05 H new ATOM 0 HG2 MET A 70 2.627 38.377 -7.581 1.00 42.25 H new ATOM 0 HG3 MET A 70 1.475 39.188 -8.623 1.00 42.25 H new ATOM 0 HE1 MET A 70 5.016 41.009 -6.488 1.00 3.03 H new ATOM 0 HE2 MET A 70 4.110 39.679 -5.728 1.00 3.03 H new ATOM 0 HE3 MET A 70 4.837 39.455 -7.337 1.00 3.03 H new ATOM 1168 N LEU A 71 -0.446 37.346 -4.370 1.00 54.52 N ATOM 1169 CA LEU A 71 -1.316 37.208 -3.207 1.00 74.35 C ATOM 1170 C LEU A 71 -0.847 38.105 -2.066 1.00 75.43 C ATOM 1171 O LEU A 71 0.287 37.993 -1.602 1.00 61.30 O ATOM 1172 CB LEU A 71 -1.353 35.750 -2.744 1.00 45.30 C ATOM 1173 CG LEU A 71 -1.678 34.712 -3.818 1.00 41.25 C ATOM 1174 CD1 LEU A 71 -1.902 33.346 -3.190 1.00 30.41 C ATOM 1175 CD2 LEU A 71 -2.899 35.139 -4.620 1.00 43.23 C ATOM 0 H LEU A 71 0.548 37.237 -4.168 1.00 54.52 H new ATOM 0 HA LEU A 71 -2.321 37.517 -3.496 1.00 74.35 H new ATOM 0 HB2 LEU A 71 -0.384 35.503 -2.310 1.00 45.30 H new ATOM 0 HB3 LEU A 71 -2.091 35.662 -1.947 1.00 45.30 H new ATOM 0 HG LEU A 71 -0.828 34.642 -4.497 1.00 41.25 H new ATOM 0 HD11 LEU A 71 -2.132 32.620 -3.970 1.00 30.41 H new ATOM 0 HD12 LEU A 71 -1.001 33.037 -2.661 1.00 30.41 H new ATOM 0 HD13 LEU A 71 -2.734 33.400 -2.488 1.00 30.41 H new ATOM 0 HD21 LEU A 71 -3.116 34.388 -5.380 1.00 43.23 H new ATOM 0 HD22 LEU A 71 -3.756 35.238 -3.953 1.00 43.23 H new ATOM 0 HD23 LEU A 71 -2.701 36.097 -5.102 1.00 43.23 H new ATOM 1187 N TRP A 72 -1.728 38.992 -1.618 1.00 72.23 N ATOM 1188 CA TRP A 72 -1.405 39.907 -0.529 1.00 62.33 C ATOM 1189 C TRP A 72 -1.828 39.324 0.815 1.00 43.23 C ATOM 1190 O TRP A 72 -2.964 38.882 0.979 1.00 54.23 O ATOM 1191 CB TRP A 72 -2.087 41.258 -0.751 1.00 71.51 C ATOM 1192 CG TRP A 72 -1.818 41.844 -2.104 1.00 3.12 C ATOM 1193 CD1 TRP A 72 -2.742 42.313 -2.993 1.00 14.34 C ATOM 1194 CD2 TRP A 72 -0.538 42.022 -2.721 1.00 74.35 C ATOM 1195 NE1 TRP A 72 -2.115 42.772 -4.126 1.00 22.03 N ATOM 1196 CE2 TRP A 72 -0.763 42.605 -3.984 1.00 3.11 C ATOM 1197 CE3 TRP A 72 0.775 41.747 -2.330 1.00 73.24 C ATOM 1198 CZ2 TRP A 72 0.278 42.916 -4.855 1.00 72.24 C ATOM 1199 CZ3 TRP A 72 1.806 42.056 -3.197 1.00 22.54 C ATOM 1200 CH2 TRP A 72 1.553 42.636 -4.447 1.00 24.32 C ATOM 0 H TRP A 72 -2.671 39.097 -1.992 1.00 72.23 H new ATOM 0 HA TRP A 72 -0.325 40.052 -0.517 1.00 62.33 H new ATOM 0 HB2 TRP A 72 -3.163 41.139 -0.622 1.00 71.51 H new ATOM 0 HB3 TRP A 72 -1.749 41.957 0.014 1.00 71.51 H new ATOM 0 HD1 TRP A 72 -3.810 42.322 -2.830 1.00 14.34 H new ATOM 0 HE1 TRP A 72 -2.581 43.172 -4.941 1.00 22.03 H new ATOM 0 HE3 TRP A 72 0.980 41.301 -1.368 1.00 73.24 H new ATOM 0 HZ2 TRP A 72 0.085 43.363 -5.819 1.00 72.24 H new ATOM 0 HZ3 TRP A 72 2.825 41.847 -2.906 1.00 22.54 H new ATOM 0 HH2 TRP A 72 2.381 42.866 -5.101 1.00 24.32 H new ATOM 1211 N GLN A 73 -0.906 39.327 1.773 1.00 52.54 N ATOM 1212 CA GLN A 73 -1.185 38.798 3.102 1.00 14.33 C ATOM 1213 C GLN A 73 -2.330 39.561 3.762 1.00 23.43 C ATOM 1214 O GLN A 73 -2.240 40.768 3.980 1.00 55.11 O ATOM 1215 CB GLN A 73 0.066 38.875 3.978 1.00 4.20 C ATOM 1216 CG GLN A 73 -0.038 38.067 5.261 1.00 13.13 C ATOM 1217 CD GLN A 73 -0.531 38.893 6.433 1.00 42.41 C ATOM 1218 OE1 GLN A 73 -0.276 40.096 6.510 1.00 75.21 O ATOM 1219 NE2 GLN A 73 -1.241 38.252 7.353 1.00 24.45 N ATOM 0 H GLN A 73 0.040 39.690 1.653 1.00 52.54 H new ATOM 0 HA GLN A 73 -1.481 37.754 2.995 1.00 14.33 H new ATOM 0 HB2 GLN A 73 0.923 38.522 3.405 1.00 4.20 H new ATOM 0 HB3 GLN A 73 0.259 39.918 4.230 1.00 4.20 H new ATOM 0 HG2 GLN A 73 -0.715 37.227 5.103 1.00 13.13 H new ATOM 0 HG3 GLN A 73 0.939 37.648 5.502 1.00 13.13 H new ATOM 0 HE21 GLN A 73 -1.429 37.255 7.249 1.00 24.45 H new ATOM 0 HE22 GLN A 73 -1.599 38.757 8.164 1.00 24.45 H new ATOM 1228 N GLY A 74 -3.406 38.846 4.078 1.00 3.24 N ATOM 1229 CA GLY A 74 -4.553 39.472 4.710 1.00 45.31 C ATOM 1230 C GLY A 74 -5.700 39.690 3.743 1.00 23.23 C ATOM 1231 O GLY A 74 -6.824 39.976 4.156 1.00 42.31 O ATOM 0 H GLY A 74 -3.504 37.845 3.908 1.00 3.24 H new ATOM 0 HA2 GLY A 74 -4.893 38.849 5.538 1.00 45.31 H new ATOM 0 HA3 GLY A 74 -4.252 40.430 5.134 1.00 45.31 H new ATOM 1235 N LYS A 75 -5.417 39.555 2.452 1.00 2.50 N ATOM 1236 CA LYS A 75 -6.433 39.739 1.423 1.00 42.45 C ATOM 1237 C LYS A 75 -6.573 38.485 0.566 1.00 32.24 C ATOM 1238 O LYS A 75 -7.684 38.051 0.262 1.00 74.11 O ATOM 1239 CB LYS A 75 -6.080 40.937 0.537 1.00 33.03 C ATOM 1240 CG LYS A 75 -5.668 42.172 1.320 1.00 32.41 C ATOM 1241 CD LYS A 75 -6.816 42.710 2.157 1.00 33.13 C ATOM 1242 CE LYS A 75 -6.627 44.184 2.481 1.00 40.13 C ATOM 1243 NZ LYS A 75 -7.332 44.572 3.734 1.00 43.02 N ATOM 0 H LYS A 75 -4.492 39.319 2.093 1.00 2.50 H new ATOM 0 HA LYS A 75 -7.385 39.928 1.918 1.00 42.45 H new ATOM 0 HB2 LYS A 75 -5.269 40.655 -0.134 1.00 33.03 H new ATOM 0 HB3 LYS A 75 -6.939 41.183 -0.087 1.00 33.03 H new ATOM 0 HG2 LYS A 75 -4.826 41.929 1.969 1.00 32.41 H new ATOM 0 HG3 LYS A 75 -5.326 42.944 0.630 1.00 32.41 H new ATOM 0 HD2 LYS A 75 -7.755 42.572 1.620 1.00 33.13 H new ATOM 0 HD3 LYS A 75 -6.891 42.140 3.083 1.00 33.13 H new ATOM 0 HE2 LYS A 75 -5.563 44.400 2.581 1.00 40.13 H new ATOM 0 HE3 LYS A 75 -6.999 44.788 1.653 1.00 40.13 H new ATOM 0 HZ1 LYS A 75 -7.179 45.584 3.920 1.00 43.02 H new ATOM 0 HZ2 LYS A 75 -8.351 44.390 3.630 1.00 43.02 H new ATOM 0 HZ3 LYS A 75 -6.960 44.014 4.529 1.00 43.02 H new ATOM 1257 N ASP A 76 -5.441 37.906 0.183 1.00 43.23 N ATOM 1258 CA ASP A 76 -5.438 36.700 -0.636 1.00 63.42 C ATOM 1259 C ASP A 76 -5.131 35.469 0.211 1.00 22.40 C ATOM 1260 O ASP A 76 -4.824 34.400 -0.317 1.00 62.15 O ATOM 1261 CB ASP A 76 -4.413 36.826 -1.765 1.00 20.24 C ATOM 1262 CG ASP A 76 -4.978 37.528 -2.984 1.00 21.32 C ATOM 1263 OD1 ASP A 76 -5.903 36.972 -3.613 1.00 11.40 O ATOM 1264 OD2 ASP A 76 -4.496 38.633 -3.308 1.00 64.34 O ATOM 0 H ASP A 76 -4.513 38.252 0.427 1.00 43.23 H new ATOM 0 HA ASP A 76 -6.431 36.583 -1.069 1.00 63.42 H new ATOM 0 HB2 ASP A 76 -3.544 37.375 -1.403 1.00 20.24 H new ATOM 0 HB3 ASP A 76 -4.066 35.833 -2.050 1.00 20.24 H new ATOM 1269 N ASP A 77 -5.215 35.627 1.527 1.00 21.13 N ATOM 1270 CA ASP A 77 -4.946 34.528 2.448 1.00 11.52 C ATOM 1271 C ASP A 77 -5.916 33.375 2.215 1.00 34.54 C ATOM 1272 O ASP A 77 -5.604 32.219 2.504 1.00 21.14 O ATOM 1273 CB ASP A 77 -5.047 35.012 3.896 1.00 51.03 C ATOM 1274 CG ASP A 77 -6.464 35.386 4.284 1.00 72.33 C ATOM 1275 OD1 ASP A 77 -6.903 36.500 3.928 1.00 21.12 O ATOM 1276 OD2 ASP A 77 -7.135 34.564 4.942 1.00 21.21 O ATOM 0 H ASP A 77 -5.467 36.505 1.981 1.00 21.13 H new ATOM 0 HA ASP A 77 -3.933 34.170 2.263 1.00 11.52 H new ATOM 0 HB2 ASP A 77 -4.685 34.230 4.563 1.00 51.03 H new ATOM 0 HB3 ASP A 77 -4.396 35.875 4.034 1.00 51.03 H new ATOM 1281 N HIS A 78 -7.095 33.696 1.692 1.00 34.32 N ATOM 1282 CA HIS A 78 -8.112 32.686 1.421 1.00 32.41 C ATOM 1283 C HIS A 78 -7.735 31.849 0.202 1.00 33.12 C ATOM 1284 O HIS A 78 -8.256 30.751 0.005 1.00 71.10 O ATOM 1285 CB HIS A 78 -9.472 33.348 1.199 1.00 34.40 C ATOM 1286 CG HIS A 78 -9.574 34.085 -0.100 1.00 55.25 C ATOM 1287 ND1 HIS A 78 -9.184 35.399 -0.253 1.00 34.11 N ATOM 1288 CD2 HIS A 78 -10.024 33.685 -1.313 1.00 34.23 C ATOM 1289 CE1 HIS A 78 -9.392 35.775 -1.502 1.00 45.41 C ATOM 1290 NE2 HIS A 78 -9.900 34.753 -2.166 1.00 54.43 N ATOM 0 H HIS A 78 -7.370 34.647 1.447 1.00 34.32 H new ATOM 0 HA HIS A 78 -8.174 32.027 2.287 1.00 32.41 H new ATOM 0 HB2 HIS A 78 -10.249 32.584 1.236 1.00 34.40 H new ATOM 0 HB3 HIS A 78 -9.667 34.041 2.017 1.00 34.40 H new ATOM 0 HD1 HIS A 78 -8.796 35.988 0.483 1.00 34.11 H new ATOM 0 HD2 HIS A 78 -10.409 32.707 -1.563 1.00 34.23 H new ATOM 0 HE1 HIS A 78 -9.182 36.752 -1.911 1.00 45.41 H new ATOM 1298 N VAL A 79 -6.827 32.376 -0.613 1.00 73.54 N ATOM 1299 CA VAL A 79 -6.381 31.677 -1.813 1.00 5.32 C ATOM 1300 C VAL A 79 -5.850 30.288 -1.475 1.00 14.42 C ATOM 1301 O VAL A 79 -4.835 30.149 -0.792 1.00 74.53 O ATOM 1302 CB VAL A 79 -5.282 32.469 -2.547 1.00 53.30 C ATOM 1303 CG1 VAL A 79 -4.776 31.690 -3.751 1.00 73.03 C ATOM 1304 CG2 VAL A 79 -5.802 33.836 -2.966 1.00 43.31 C ATOM 0 H VAL A 79 -6.386 33.284 -0.465 1.00 73.54 H new ATOM 0 HA VAL A 79 -7.249 31.582 -2.465 1.00 5.32 H new ATOM 0 HB VAL A 79 -4.446 32.617 -1.863 1.00 53.30 H new ATOM 0 HG11 VAL A 79 -4.000 32.265 -4.257 1.00 73.03 H new ATOM 0 HG12 VAL A 79 -4.364 30.737 -3.420 1.00 73.03 H new ATOM 0 HG13 VAL A 79 -5.601 31.509 -4.440 1.00 73.03 H new ATOM 0 HG21 VAL A 79 -5.013 34.382 -3.483 1.00 43.31 H new ATOM 0 HG22 VAL A 79 -6.655 33.712 -3.633 1.00 43.31 H new ATOM 0 HG23 VAL A 79 -6.111 34.394 -2.082 1.00 43.31 H new ATOM 1314 N VAL A 80 -6.544 29.262 -1.958 1.00 12.53 N ATOM 1315 CA VAL A 80 -6.143 27.883 -1.708 1.00 42.25 C ATOM 1316 C VAL A 80 -5.229 27.368 -2.815 1.00 3.44 C ATOM 1317 O VAL A 80 -5.652 27.209 -3.960 1.00 35.33 O ATOM 1318 CB VAL A 80 -7.366 26.954 -1.595 1.00 13.41 C ATOM 1319 CG1 VAL A 80 -6.926 25.504 -1.470 1.00 61.25 C ATOM 1320 CG2 VAL A 80 -8.235 27.360 -0.413 1.00 65.24 C ATOM 0 H VAL A 80 -7.387 29.360 -2.525 1.00 12.53 H new ATOM 0 HA VAL A 80 -5.603 27.877 -0.761 1.00 42.25 H new ATOM 0 HB VAL A 80 -7.959 27.051 -2.504 1.00 13.41 H new ATOM 0 HG11 VAL A 80 -7.804 24.863 -1.391 1.00 61.25 H new ATOM 0 HG12 VAL A 80 -6.348 25.222 -2.350 1.00 61.25 H new ATOM 0 HG13 VAL A 80 -6.310 25.386 -0.579 1.00 61.25 H new ATOM 0 HG21 VAL A 80 -9.095 26.693 -0.348 1.00 65.24 H new ATOM 0 HG22 VAL A 80 -7.653 27.293 0.506 1.00 65.24 H new ATOM 0 HG23 VAL A 80 -8.580 28.385 -0.550 1.00 65.24 H new ATOM 1330 N ILE A 81 -3.973 27.110 -2.465 1.00 12.13 N ATOM 1331 CA ILE A 81 -2.999 26.612 -3.428 1.00 33.42 C ATOM 1332 C ILE A 81 -2.951 25.088 -3.422 1.00 24.53 C ATOM 1333 O ILE A 81 -2.465 24.474 -2.471 1.00 1.04 O ATOM 1334 CB ILE A 81 -1.590 27.160 -3.138 1.00 43.35 C ATOM 1335 CG1 ILE A 81 -1.596 28.690 -3.180 1.00 25.20 C ATOM 1336 CG2 ILE A 81 -0.588 26.602 -4.138 1.00 73.34 C ATOM 1337 CD1 ILE A 81 -1.740 29.331 -1.817 1.00 74.34 C ATOM 0 H ILE A 81 -3.606 27.238 -1.522 1.00 12.13 H new ATOM 0 HA ILE A 81 -3.320 26.959 -4.410 1.00 33.42 H new ATOM 0 HB ILE A 81 -1.292 26.843 -2.139 1.00 43.35 H new ATOM 0 HG12 ILE A 81 -0.670 29.036 -3.640 1.00 25.20 H new ATOM 0 HG13 ILE A 81 -2.414 29.025 -3.818 1.00 25.20 H new ATOM 0 HG21 ILE A 81 0.403 26.999 -3.920 1.00 73.34 H new ATOM 0 HG22 ILE A 81 -0.568 25.515 -4.065 1.00 73.34 H new ATOM 0 HG23 ILE A 81 -0.881 26.892 -5.147 1.00 73.34 H new ATOM 0 HD11 ILE A 81 -1.736 30.416 -1.923 1.00 74.34 H new ATOM 0 HD12 ILE A 81 -2.679 29.014 -1.363 1.00 74.34 H new ATOM 0 HD13 ILE A 81 -0.909 29.026 -1.182 1.00 74.34 H new ATOM 1349 N THR A 82 -3.456 24.480 -4.491 1.00 42.30 N ATOM 1350 CA THR A 82 -3.470 23.028 -4.610 1.00 24.21 C ATOM 1351 C THR A 82 -2.387 22.544 -5.568 1.00 3.24 C ATOM 1352 O THR A 82 -2.455 22.788 -6.773 1.00 14.10 O ATOM 1353 CB THR A 82 -4.838 22.517 -5.100 1.00 42.20 C ATOM 1354 OG1 THR A 82 -4.747 21.131 -5.448 1.00 53.33 O ATOM 1355 CG2 THR A 82 -5.315 23.317 -6.303 1.00 2.54 C ATOM 0 H THR A 82 -3.861 24.972 -5.287 1.00 42.30 H new ATOM 0 HA THR A 82 -3.276 22.628 -3.615 1.00 24.21 H new ATOM 0 HB THR A 82 -5.559 22.642 -4.292 1.00 42.20 H new ATOM 0 HG1 THR A 82 -5.621 20.813 -5.757 1.00 53.33 H new ATOM 0 HG21 THR A 82 -6.283 22.938 -6.631 1.00 2.54 H new ATOM 0 HG22 THR A 82 -5.411 24.367 -6.027 1.00 2.54 H new ATOM 0 HG23 THR A 82 -4.593 23.220 -7.114 1.00 2.54 H new ATOM 1363 N LEU A 83 -1.388 21.857 -5.025 1.00 3.01 N ATOM 1364 CA LEU A 83 -0.289 21.338 -5.832 1.00 71.32 C ATOM 1365 C LEU A 83 -0.816 20.598 -7.058 1.00 32.04 C ATOM 1366 O LEU A 83 -1.314 19.476 -6.952 1.00 54.34 O ATOM 1367 CB LEU A 83 0.587 20.403 -4.996 1.00 11.21 C ATOM 1368 CG LEU A 83 2.086 20.443 -5.294 1.00 60.35 C ATOM 1369 CD1 LEU A 83 2.666 21.803 -4.938 1.00 33.31 C ATOM 1370 CD2 LEU A 83 2.810 19.338 -4.539 1.00 34.33 C ATOM 0 H LEU A 83 -1.316 21.646 -4.030 1.00 3.01 H new ATOM 0 HA LEU A 83 0.311 22.183 -6.170 1.00 71.32 H new ATOM 0 HB2 LEU A 83 0.440 20.644 -3.943 1.00 11.21 H new ATOM 0 HB3 LEU A 83 0.235 19.382 -5.141 1.00 11.21 H new ATOM 0 HG LEU A 83 2.228 20.279 -6.362 1.00 60.35 H new ATOM 0 HD11 LEU A 83 3.734 21.812 -5.157 1.00 33.31 H new ATOM 0 HD12 LEU A 83 2.169 22.575 -5.525 1.00 33.31 H new ATOM 0 HD13 LEU A 83 2.512 21.998 -3.877 1.00 33.31 H new ATOM 0 HD21 LEU A 83 3.876 19.382 -4.763 1.00 34.33 H new ATOM 0 HD22 LEU A 83 2.659 19.470 -3.468 1.00 34.33 H new ATOM 0 HD23 LEU A 83 2.415 18.369 -4.844 1.00 34.33 H new ATOM 1382 N LEU A 84 -0.701 21.232 -8.219 1.00 73.24 N ATOM 1383 CA LEU A 84 -1.164 20.633 -9.467 1.00 11.04 C ATOM 1384 C LEU A 84 -0.029 19.898 -10.172 1.00 42.10 C ATOM 1385 O LEU A 84 0.661 20.468 -11.017 1.00 20.32 O ATOM 1386 CB LEU A 84 -1.741 21.709 -10.388 1.00 60.25 C ATOM 1387 CG LEU A 84 -3.025 22.386 -9.908 1.00 42.41 C ATOM 1388 CD1 LEU A 84 -3.559 23.333 -10.972 1.00 2.33 C ATOM 1389 CD2 LEU A 84 -4.073 21.345 -9.543 1.00 50.34 C ATOM 0 H LEU A 84 -0.291 22.160 -8.323 1.00 73.24 H new ATOM 0 HA LEU A 84 -1.945 19.911 -9.228 1.00 11.04 H new ATOM 0 HB2 LEU A 84 -0.982 22.478 -10.536 1.00 60.25 H new ATOM 0 HB3 LEU A 84 -1.933 21.260 -11.362 1.00 60.25 H new ATOM 0 HG LEU A 84 -2.794 22.968 -9.016 1.00 42.41 H new ATOM 0 HD11 LEU A 84 -4.473 23.806 -10.613 1.00 2.33 H new ATOM 0 HD12 LEU A 84 -2.813 24.099 -11.184 1.00 2.33 H new ATOM 0 HD13 LEU A 84 -3.774 22.773 -11.882 1.00 2.33 H new ATOM 0 HD21 LEU A 84 -4.980 21.845 -9.204 1.00 50.34 H new ATOM 0 HD22 LEU A 84 -4.300 20.735 -10.418 1.00 50.34 H new ATOM 0 HD23 LEU A 84 -3.690 20.707 -8.746 1.00 50.34 H new ATOM 1401 N GLU A 85 0.157 18.630 -9.820 1.00 71.42 N ATOM 1402 CA GLU A 85 1.208 17.817 -10.421 1.00 71.13 C ATOM 1403 C GLU A 85 0.654 16.478 -10.899 1.00 31.42 C ATOM 1404 O GLU A 85 -0.440 16.411 -11.458 1.00 40.53 O ATOM 1405 CB GLU A 85 2.340 17.585 -9.419 1.00 21.33 C ATOM 1406 CG GLU A 85 3.282 18.769 -9.279 1.00 14.13 C ATOM 1407 CD GLU A 85 4.376 18.527 -8.257 1.00 70.14 C ATOM 1408 OE1 GLU A 85 4.112 18.711 -7.051 1.00 34.24 O ATOM 1409 OE2 GLU A 85 5.496 18.154 -8.664 1.00 40.13 O ATOM 0 H GLU A 85 -0.406 18.144 -9.122 1.00 71.42 H new ATOM 0 HA GLU A 85 1.601 18.356 -11.283 1.00 71.13 H new ATOM 0 HB2 GLU A 85 1.910 17.357 -8.444 1.00 21.33 H new ATOM 0 HB3 GLU A 85 2.913 16.710 -9.727 1.00 21.33 H new ATOM 0 HG2 GLU A 85 3.735 18.984 -10.247 1.00 14.13 H new ATOM 0 HG3 GLU A 85 2.710 19.651 -8.992 1.00 14.13 H new TER 1416 GLU A 85