USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=11 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+ 180:sc= 0 (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=-0.013) 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 -11:sc= -0.317 USER MOD Single : A 23 THR OG1 : rot -90:sc= 1.24 USER MOD Single : A 24 MET CE :methyl 176:sc= 0 (180deg=-0.0119) USER MOD Single : A 27 HIS : no HD1:sc= -0.704 K(o=-0.7,f=-1.4) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.0893 (180deg=-0.431) USER MOD Single : A 34 GLN : amide:sc= -1.78 K(o=-1.8,f=-5.5!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 170:sc= -0.866 USER MOD Single : A 50 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0381) 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= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.35) USER MOD Single : A 70 MET CE :methyl 160:sc= 0 (180deg=-0.342) USER MOD Single : A 73 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.46) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.061) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.003 0.395 0.854 1.00 12.15 N ATOM 2 CA GLY A 1 1.962 0.636 -0.207 1.00 40.15 C ATOM 3 C GLY A 1 1.358 0.457 -1.586 1.00 52.31 C ATOM 4 O GLY A 1 0.694 -0.544 -1.855 1.00 44.43 O ATOM 0 H1 GLY A 1 1.464 0.530 1.776 1.00 12.15 H new ATOM 0 H2 GLY A 1 0.210 1.061 0.763 1.00 12.15 H new ATOM 0 H3 GLY A 1 0.646 -0.579 0.785 1.00 12.15 H new ATOM 0 HA2 GLY A 1 2.355 1.649 -0.114 1.00 40.15 H new ATOM 0 HA3 GLY A 1 2.805 -0.045 -0.092 1.00 40.15 H new ATOM 8 N ALA A 2 1.586 1.431 -2.461 1.00 62.04 N ATOM 9 CA ALA A 2 1.060 1.376 -3.819 1.00 53.35 C ATOM 10 C ALA A 2 1.751 2.397 -4.718 1.00 33.44 C ATOM 11 O ALA A 2 2.682 3.080 -4.294 1.00 12.53 O ATOM 12 CB ALA A 2 -0.444 1.609 -3.812 1.00 41.14 C ATOM 0 H ALA A 2 2.131 2.268 -2.253 1.00 62.04 H new ATOM 0 HA ALA A 2 1.261 0.383 -4.220 1.00 53.35 H new ATOM 0 HB1 ALA A 2 -0.824 1.565 -4.833 1.00 41.14 H new ATOM 0 HB2 ALA A 2 -0.929 0.839 -3.211 1.00 41.14 H new ATOM 0 HB3 ALA A 2 -0.658 2.590 -3.387 1.00 41.14 H new ATOM 18 N MET A 3 1.289 2.493 -5.960 1.00 50.01 N ATOM 19 CA MET A 3 1.863 3.431 -6.918 1.00 3.02 C ATOM 20 C MET A 3 1.789 4.860 -6.390 1.00 51.43 C ATOM 21 O MET A 3 2.593 5.713 -6.766 1.00 32.01 O ATOM 22 CB MET A 3 1.136 3.332 -8.260 1.00 61.11 C ATOM 23 CG MET A 3 1.425 2.044 -9.014 1.00 33.21 C ATOM 24 SD MET A 3 1.371 2.259 -10.803 1.00 55.23 S ATOM 25 CE MET A 3 -0.394 2.184 -11.100 1.00 72.21 C ATOM 0 H MET A 3 0.519 1.933 -6.327 1.00 50.01 H new ATOM 0 HA MET A 3 2.911 3.169 -7.062 1.00 3.02 H new ATOM 0 HB2 MET A 3 0.062 3.410 -8.089 1.00 61.11 H new ATOM 0 HB3 MET A 3 1.422 4.180 -8.882 1.00 61.11 H new ATOM 0 HG2 MET A 3 2.408 1.672 -8.726 1.00 33.21 H new ATOM 0 HG3 MET A 3 0.699 1.285 -8.721 1.00 33.21 H new ATOM 0 HE1 MET A 3 -0.589 2.302 -12.166 1.00 72.21 H new ATOM 0 HE2 MET A 3 -0.779 1.221 -10.765 1.00 72.21 H new ATOM 0 HE3 MET A 3 -0.890 2.984 -10.550 1.00 72.21 H new ATOM 35 N ALA A 4 0.819 5.115 -5.518 1.00 71.22 N ATOM 36 CA ALA A 4 0.641 6.440 -4.938 1.00 43.34 C ATOM 37 C ALA A 4 0.366 7.480 -6.019 1.00 71.04 C ATOM 38 O ALA A 4 0.132 7.137 -7.178 1.00 51.14 O ATOM 39 CB ALA A 4 1.869 6.831 -4.128 1.00 74.33 C ATOM 0 H ALA A 4 0.144 4.421 -5.198 1.00 71.22 H new ATOM 0 HA ALA A 4 -0.223 6.406 -4.275 1.00 43.34 H new ATOM 0 HB1 ALA A 4 1.722 7.823 -3.701 1.00 74.33 H new ATOM 0 HB2 ALA A 4 2.021 6.109 -3.326 1.00 74.33 H new ATOM 0 HB3 ALA A 4 2.745 6.842 -4.777 1.00 74.33 H new ATOM 45 N ARG A 5 0.395 8.751 -5.632 1.00 54.04 N ATOM 46 CA ARG A 5 0.146 9.841 -6.569 1.00 30.53 C ATOM 47 C ARG A 5 1.449 10.323 -7.200 1.00 32.11 C ATOM 48 O ARG A 5 1.478 10.711 -8.367 1.00 70.13 O ATOM 49 CB ARG A 5 -0.550 11.003 -5.858 1.00 71.04 C ATOM 50 CG ARG A 5 -1.688 10.568 -4.950 1.00 30.24 C ATOM 51 CD ARG A 5 -2.725 9.753 -5.707 1.00 20.24 C ATOM 52 NE ARG A 5 -4.077 9.987 -5.206 1.00 62.30 N ATOM 53 CZ ARG A 5 -5.175 9.630 -5.862 1.00 54.54 C ATOM 54 NH1 ARG A 5 -5.082 9.027 -7.039 1.00 72.02 N ATOM 55 NH2 ARG A 5 -6.370 9.877 -5.341 1.00 55.54 N ATOM 0 H ARG A 5 0.588 9.052 -4.677 1.00 54.04 H new ATOM 0 HA ARG A 5 -0.504 9.467 -7.360 1.00 30.53 H new ATOM 0 HB2 ARG A 5 0.186 11.550 -5.268 1.00 71.04 H new ATOM 0 HB3 ARG A 5 -0.937 11.695 -6.605 1.00 71.04 H new ATOM 0 HG2 ARG A 5 -1.291 9.977 -4.125 1.00 30.24 H new ATOM 0 HG3 ARG A 5 -2.162 11.447 -4.513 1.00 30.24 H new ATOM 0 HD2 ARG A 5 -2.682 10.006 -6.766 1.00 20.24 H new ATOM 0 HD3 ARG A 5 -2.485 8.693 -5.622 1.00 20.24 H new ATOM 0 HE ARG A 5 -4.183 10.450 -4.303 1.00 62.30 H new ATOM 0 HH11 ARG A 5 -4.165 8.836 -7.443 1.00 72.02 H new ATOM 0 HH12 ARG A 5 -5.927 8.754 -7.540 1.00 72.02 H new ATOM 0 HH21 ARG A 5 -6.446 10.341 -4.436 1.00 55.54 H new ATOM 0 HH22 ARG A 5 -7.213 9.603 -5.845 1.00 55.54 H new ATOM 69 N ALA A 6 2.524 10.296 -6.419 1.00 60.13 N ATOM 70 CA ALA A 6 3.830 10.729 -6.902 1.00 35.40 C ATOM 71 C ALA A 6 3.750 12.115 -7.531 1.00 41.51 C ATOM 72 O ALA A 6 4.447 12.407 -8.502 1.00 64.31 O ATOM 73 CB ALA A 6 4.382 9.724 -7.902 1.00 50.02 C ATOM 0 H ALA A 6 2.516 9.979 -5.450 1.00 60.13 H new ATOM 0 HA ALA A 6 4.506 10.785 -6.049 1.00 35.40 H new ATOM 0 HB1 ALA A 6 5.357 10.060 -8.255 1.00 50.02 H new ATOM 0 HB2 ALA A 6 4.485 8.751 -7.421 1.00 50.02 H new ATOM 0 HB3 ALA A 6 3.700 9.640 -8.748 1.00 50.02 H new ATOM 79 N GLU A 7 2.896 12.966 -6.971 1.00 55.24 N ATOM 80 CA GLU A 7 2.725 14.322 -7.480 1.00 51.10 C ATOM 81 C GLU A 7 4.061 15.057 -7.529 1.00 4.01 C ATOM 82 O GLU A 7 4.293 15.887 -8.408 1.00 32.43 O ATOM 83 CB GLU A 7 1.736 15.097 -6.607 1.00 52.32 C ATOM 84 CG GLU A 7 2.309 15.517 -5.264 1.00 54.41 C ATOM 85 CD GLU A 7 2.652 14.334 -4.380 1.00 72.14 C ATOM 86 OE1 GLU A 7 1.749 13.515 -4.107 1.00 4.41 O ATOM 87 OE2 GLU A 7 3.824 14.227 -3.963 1.00 31.44 O ATOM 0 H GLU A 7 2.312 12.741 -6.165 1.00 55.24 H new ATOM 0 HA GLU A 7 2.329 14.255 -8.493 1.00 51.10 H new ATOM 0 HB2 GLU A 7 1.407 15.985 -7.146 1.00 52.32 H new ATOM 0 HB3 GLU A 7 0.853 14.481 -6.439 1.00 52.32 H new ATOM 0 HG2 GLU A 7 3.205 16.116 -5.427 1.00 54.41 H new ATOM 0 HG3 GLU A 7 1.589 16.154 -4.749 1.00 54.41 H new ATOM 94 N GLU A 8 4.936 14.746 -6.578 1.00 25.33 N ATOM 95 CA GLU A 8 6.249 15.378 -6.512 1.00 31.43 C ATOM 96 C GLU A 8 7.194 14.778 -7.549 1.00 41.41 C ATOM 97 O GLU A 8 8.145 15.427 -7.987 1.00 60.10 O ATOM 98 CB GLU A 8 6.845 15.220 -5.111 1.00 43.54 C ATOM 99 CG GLU A 8 7.319 13.809 -4.806 1.00 54.22 C ATOM 100 CD GLU A 8 8.788 13.605 -5.122 1.00 13.53 C ATOM 101 OE1 GLU A 8 9.582 14.538 -4.875 1.00 75.40 O ATOM 102 OE2 GLU A 8 9.144 12.515 -5.615 1.00 55.12 O ATOM 0 H GLU A 8 4.760 14.061 -5.843 1.00 25.33 H new ATOM 0 HA GLU A 8 6.125 16.439 -6.729 1.00 31.43 H new ATOM 0 HB2 GLU A 8 7.684 15.907 -5.003 1.00 43.54 H new ATOM 0 HB3 GLU A 8 6.098 15.511 -4.373 1.00 43.54 H new ATOM 0 HG2 GLU A 8 7.144 13.591 -3.752 1.00 54.22 H new ATOM 0 HG3 GLU A 8 6.726 13.098 -5.381 1.00 54.22 H new ATOM 109 N HIS A 9 6.926 13.536 -7.938 1.00 32.22 N ATOM 110 CA HIS A 9 7.752 12.848 -8.924 1.00 13.02 C ATOM 111 C HIS A 9 7.435 13.337 -10.334 1.00 2.31 C ATOM 112 O HIS A 9 8.083 12.934 -11.301 1.00 14.33 O ATOM 113 CB HIS A 9 7.537 11.337 -8.835 1.00 75.15 C ATOM 114 CG HIS A 9 8.805 10.561 -8.658 1.00 20.34 C ATOM 115 ND1 HIS A 9 9.849 10.609 -9.557 1.00 61.50 N ATOM 116 CD2 HIS A 9 9.195 9.715 -7.675 1.00 42.22 C ATOM 117 CE1 HIS A 9 10.826 9.825 -9.137 1.00 32.34 C ATOM 118 NE2 HIS A 9 10.454 9.271 -7.996 1.00 43.23 N ATOM 0 H HIS A 9 6.143 12.985 -7.586 1.00 32.22 H new ATOM 0 HA HIS A 9 8.796 13.072 -8.707 1.00 13.02 H new ATOM 0 HB2 HIS A 9 6.870 11.122 -8.000 1.00 75.15 H new ATOM 0 HB3 HIS A 9 7.035 10.996 -9.741 1.00 75.15 H new ATOM 0 HD2 HIS A 9 8.622 9.441 -6.801 1.00 42.22 H new ATOM 0 HE1 HIS A 9 11.768 9.664 -9.640 1.00 32.34 H new ATOM 0 HE2 HIS A 9 11.012 8.620 -7.444 1.00 43.23 H new ATOM 126 N ILE A 10 6.436 14.207 -10.443 1.00 22.50 N ATOM 127 CA ILE A 10 6.035 14.750 -11.735 1.00 11.15 C ATOM 128 C ILE A 10 7.080 15.723 -12.270 1.00 72.02 C ATOM 129 O ILE A 10 7.398 15.716 -13.460 1.00 33.03 O ATOM 130 CB ILE A 10 4.677 15.471 -11.644 1.00 51.24 C ATOM 131 CG1 ILE A 10 3.624 14.546 -11.031 1.00 14.52 C ATOM 132 CG2 ILE A 10 4.236 15.945 -13.021 1.00 64.24 C ATOM 133 CD1 ILE A 10 3.354 13.307 -11.855 1.00 23.23 C ATOM 0 H ILE A 10 5.890 14.550 -9.653 1.00 22.50 H new ATOM 0 HA ILE A 10 5.944 13.906 -12.419 1.00 11.15 H new ATOM 0 HB ILE A 10 4.787 16.343 -10.999 1.00 51.24 H new ATOM 0 HG12 ILE A 10 3.951 14.246 -10.035 1.00 14.52 H new ATOM 0 HG13 ILE A 10 2.693 15.100 -10.907 1.00 14.52 H new ATOM 0 HG21 ILE A 10 3.275 16.453 -12.940 1.00 64.24 H new ATOM 0 HG22 ILE A 10 4.978 16.635 -13.423 1.00 64.24 H new ATOM 0 HG23 ILE A 10 4.139 15.088 -13.687 1.00 64.24 H new ATOM 0 HD11 ILE A 10 2.597 12.698 -11.360 1.00 23.23 H new ATOM 0 HD12 ILE A 10 2.996 13.598 -12.843 1.00 23.23 H new ATOM 0 HD13 ILE A 10 4.273 12.731 -11.957 1.00 23.23 H new ATOM 145 N TYR A 11 7.612 16.558 -11.384 1.00 71.44 N ATOM 146 CA TYR A 11 8.621 17.537 -11.768 1.00 3.42 C ATOM 147 C TYR A 11 9.713 17.638 -10.707 1.00 44.22 C ATOM 148 O TYR A 11 9.431 17.850 -9.528 1.00 20.12 O ATOM 149 CB TYR A 11 7.976 18.908 -11.983 1.00 63.55 C ATOM 150 CG TYR A 11 7.302 19.054 -13.329 1.00 13.24 C ATOM 151 CD1 TYR A 11 8.044 19.293 -14.478 1.00 65.33 C ATOM 152 CD2 TYR A 11 5.921 18.953 -13.450 1.00 1.31 C ATOM 153 CE1 TYR A 11 7.432 19.428 -15.709 1.00 41.21 C ATOM 154 CE2 TYR A 11 5.300 19.086 -14.677 1.00 23.00 C ATOM 155 CZ TYR A 11 6.060 19.324 -15.803 1.00 70.24 C ATOM 156 OH TYR A 11 5.446 19.457 -17.028 1.00 23.32 O ATOM 0 H TYR A 11 7.361 16.576 -10.396 1.00 71.44 H new ATOM 0 HA TYR A 11 9.075 17.206 -12.702 1.00 3.42 H new ATOM 0 HB2 TYR A 11 7.241 19.082 -11.197 1.00 63.55 H new ATOM 0 HB3 TYR A 11 8.739 19.680 -11.882 1.00 63.55 H new ATOM 0 HD1 TYR A 11 9.119 19.375 -14.408 1.00 65.33 H new ATOM 0 HD2 TYR A 11 5.323 18.767 -12.570 1.00 1.31 H new ATOM 0 HE1 TYR A 11 8.024 19.614 -16.593 1.00 41.21 H new ATOM 0 HE2 TYR A 11 4.226 19.004 -14.754 1.00 23.00 H new ATOM 0 HH TYR A 11 4.477 19.356 -16.921 1.00 23.32 H new ATOM 166 N ARG A 12 10.962 17.485 -11.137 1.00 12.55 N ATOM 167 CA ARG A 12 12.097 17.558 -10.225 1.00 44.51 C ATOM 168 C ARG A 12 12.292 18.982 -9.712 1.00 12.24 C ATOM 169 O ARG A 12 12.507 19.198 -8.519 1.00 62.45 O ATOM 170 CB ARG A 12 13.371 17.079 -10.924 1.00 31.42 C ATOM 171 CG ARG A 12 13.676 17.824 -12.213 1.00 23.03 C ATOM 172 CD ARG A 12 14.285 16.903 -13.258 1.00 75.54 C ATOM 173 NE ARG A 12 15.461 17.493 -13.890 1.00 42.24 N ATOM 174 CZ ARG A 12 16.203 16.865 -14.796 1.00 35.41 C ATOM 175 NH1 ARG A 12 15.890 15.633 -15.174 1.00 22.33 N ATOM 176 NH2 ARG A 12 17.259 17.469 -15.326 1.00 35.43 N ATOM 0 H ARG A 12 11.213 17.310 -12.110 1.00 12.55 H new ATOM 0 HA ARG A 12 11.890 16.908 -9.375 1.00 44.51 H new ATOM 0 HB2 ARG A 12 14.214 17.191 -10.242 1.00 31.42 H new ATOM 0 HB3 ARG A 12 13.277 16.015 -11.143 1.00 31.42 H new ATOM 0 HG2 ARG A 12 12.760 18.265 -12.605 1.00 23.03 H new ATOM 0 HG3 ARG A 12 14.362 18.645 -12.006 1.00 23.03 H new ATOM 0 HD2 ARG A 12 14.561 15.957 -12.791 1.00 75.54 H new ATOM 0 HD3 ARG A 12 13.539 16.677 -14.020 1.00 75.54 H new ATOM 0 HE ARG A 12 15.728 18.440 -13.621 1.00 42.24 H new ATOM 0 HH11 ARG A 12 15.079 15.166 -14.769 1.00 22.33 H new ATOM 0 HH12 ARG A 12 16.461 15.152 -15.870 1.00 22.33 H new ATOM 0 HH21 ARG A 12 17.502 18.417 -15.038 1.00 35.43 H new ATOM 0 HH22 ARG A 12 17.827 16.985 -16.021 1.00 35.43 H new ATOM 190 N GLU A 13 12.214 19.949 -10.620 1.00 44.44 N ATOM 191 CA GLU A 13 12.383 21.352 -10.259 1.00 24.24 C ATOM 192 C GLU A 13 11.348 21.774 -9.220 1.00 51.44 C ATOM 193 O GLU A 13 11.653 22.527 -8.295 1.00 51.52 O ATOM 194 CB GLU A 13 12.269 22.239 -11.500 1.00 13.11 C ATOM 195 CG GLU A 13 13.368 22.002 -12.521 1.00 61.45 C ATOM 196 CD GLU A 13 14.539 22.949 -12.349 1.00 44.01 C ATOM 197 OE1 GLU A 13 15.282 22.801 -11.356 1.00 61.44 O ATOM 198 OE2 GLU A 13 14.713 23.839 -13.208 1.00 0.11 O ATOM 0 H GLU A 13 12.035 19.787 -11.611 1.00 44.44 H new ATOM 0 HA GLU A 13 13.376 21.473 -9.827 1.00 24.24 H new ATOM 0 HB2 GLU A 13 11.302 22.065 -11.973 1.00 13.11 H new ATOM 0 HB3 GLU A 13 12.290 23.284 -11.192 1.00 13.11 H new ATOM 0 HG2 GLU A 13 13.721 20.974 -12.437 1.00 61.45 H new ATOM 0 HG3 GLU A 13 12.957 22.117 -13.524 1.00 61.45 H new ATOM 205 N ILE A 14 10.123 21.285 -9.382 1.00 22.23 N ATOM 206 CA ILE A 14 9.043 21.611 -8.459 1.00 21.10 C ATOM 207 C ILE A 14 9.415 21.246 -7.026 1.00 5.51 C ATOM 208 O ILE A 14 8.862 21.793 -6.072 1.00 44.21 O ATOM 209 CB ILE A 14 7.739 20.884 -8.839 1.00 43.52 C ATOM 210 CG1 ILE A 14 7.189 21.434 -10.157 1.00 10.43 C ATOM 211 CG2 ILE A 14 6.710 21.027 -7.728 1.00 50.41 C ATOM 212 CD1 ILE A 14 6.934 22.925 -10.129 1.00 53.25 C ATOM 0 H ILE A 14 9.854 20.662 -10.143 1.00 22.23 H new ATOM 0 HA ILE A 14 8.884 22.687 -8.528 1.00 21.10 H new ATOM 0 HB ILE A 14 7.956 19.824 -8.972 1.00 43.52 H new ATOM 0 HG12 ILE A 14 7.894 21.209 -10.958 1.00 10.43 H new ATOM 0 HG13 ILE A 14 6.259 20.919 -10.397 1.00 10.43 H new ATOM 0 HG21 ILE A 14 5.794 20.508 -8.011 1.00 50.41 H new ATOM 0 HG22 ILE A 14 7.104 20.593 -6.809 1.00 50.41 H new ATOM 0 HG23 ILE A 14 6.494 22.083 -7.566 1.00 50.41 H new ATOM 0 HD11 ILE A 14 6.545 23.246 -11.095 1.00 53.25 H new ATOM 0 HD12 ILE A 14 6.206 23.155 -9.351 1.00 53.25 H new ATOM 0 HD13 ILE A 14 7.866 23.450 -9.921 1.00 53.25 H new ATOM 224 N MET A 15 10.358 20.321 -6.882 1.00 70.54 N ATOM 225 CA MET A 15 10.807 19.885 -5.565 1.00 11.30 C ATOM 226 C MET A 15 11.102 21.083 -4.668 1.00 42.21 C ATOM 227 O MET A 15 10.954 21.008 -3.449 1.00 14.01 O ATOM 228 CB MET A 15 12.054 19.008 -5.692 1.00 1.44 C ATOM 229 CG MET A 15 11.772 17.629 -6.264 1.00 74.04 C ATOM 230 SD MET A 15 13.275 16.749 -6.730 1.00 31.11 S ATOM 231 CE MET A 15 13.511 15.701 -5.297 1.00 3.14 C ATOM 0 H MET A 15 10.826 19.859 -7.661 1.00 70.54 H new ATOM 0 HA MET A 15 10.007 19.301 -5.110 1.00 11.30 H new ATOM 0 HB2 MET A 15 12.781 19.514 -6.327 1.00 1.44 H new ATOM 0 HB3 MET A 15 12.512 18.898 -4.709 1.00 1.44 H new ATOM 0 HG2 MET A 15 11.224 17.040 -5.528 1.00 74.04 H new ATOM 0 HG3 MET A 15 11.128 17.727 -7.138 1.00 74.04 H new ATOM 0 HE1 MET A 15 14.405 15.093 -5.434 1.00 3.14 H new ATOM 0 HE2 MET A 15 13.627 16.321 -4.408 1.00 3.14 H new ATOM 0 HE3 MET A 15 12.645 15.050 -5.175 1.00 3.14 H new ATOM 241 N GLU A 16 11.521 22.186 -5.280 1.00 42.43 N ATOM 242 CA GLU A 16 11.838 23.399 -4.535 1.00 42.23 C ATOM 243 C GLU A 16 10.651 23.840 -3.684 1.00 2.51 C ATOM 244 O GLU A 16 10.789 24.084 -2.484 1.00 63.33 O ATOM 245 CB GLU A 16 12.238 24.523 -5.494 1.00 23.04 C ATOM 246 CG GLU A 16 13.581 24.298 -6.169 1.00 33.11 C ATOM 247 CD GLU A 16 14.670 23.909 -5.188 1.00 14.54 C ATOM 248 OE1 GLU A 16 14.849 24.630 -4.184 1.00 1.02 O ATOM 249 OE2 GLU A 16 15.342 22.884 -5.424 1.00 61.10 O ATOM 0 H GLU A 16 11.649 22.265 -6.289 1.00 42.43 H new ATOM 0 HA GLU A 16 12.676 23.180 -3.873 1.00 42.23 H new ATOM 0 HB2 GLU A 16 11.469 24.627 -6.259 1.00 23.04 H new ATOM 0 HB3 GLU A 16 12.270 25.464 -4.945 1.00 23.04 H new ATOM 0 HG2 GLU A 16 13.479 23.516 -6.921 1.00 33.11 H new ATOM 0 HG3 GLU A 16 13.877 25.207 -6.693 1.00 33.11 H new ATOM 256 N LEU A 17 9.485 23.942 -4.312 1.00 44.44 N ATOM 257 CA LEU A 17 8.273 24.355 -3.614 1.00 30.02 C ATOM 258 C LEU A 17 7.621 23.170 -2.908 1.00 3.20 C ATOM 259 O LEU A 17 7.300 23.242 -1.721 1.00 52.22 O ATOM 260 CB LEU A 17 7.284 24.985 -4.596 1.00 60.12 C ATOM 261 CG LEU A 17 6.221 25.899 -3.985 1.00 44.14 C ATOM 262 CD1 LEU A 17 6.496 27.351 -4.344 1.00 43.11 C ATOM 263 CD2 LEU A 17 4.832 25.487 -4.450 1.00 62.20 C ATOM 0 H LEU A 17 9.353 23.744 -5.304 1.00 44.44 H new ATOM 0 HA LEU A 17 8.550 25.095 -2.863 1.00 30.02 H new ATOM 0 HB2 LEU A 17 7.848 25.559 -5.331 1.00 60.12 H new ATOM 0 HB3 LEU A 17 6.779 24.184 -5.136 1.00 60.12 H new ATOM 0 HG LEU A 17 6.264 25.800 -2.900 1.00 44.14 H new ATOM 0 HD11 LEU A 17 5.730 27.987 -3.901 1.00 43.11 H new ATOM 0 HD12 LEU A 17 7.474 27.641 -3.961 1.00 43.11 H new ATOM 0 HD13 LEU A 17 6.481 27.467 -5.428 1.00 43.11 H new ATOM 0 HD21 LEU A 17 4.088 26.148 -4.005 1.00 62.20 H new ATOM 0 HD22 LEU A 17 4.776 25.557 -5.536 1.00 62.20 H new ATOM 0 HD23 LEU A 17 4.635 24.460 -4.142 1.00 62.20 H new ATOM 275 N CYS A 18 7.431 22.081 -3.644 1.00 45.13 N ATOM 276 CA CYS A 18 6.819 20.879 -3.088 1.00 44.45 C ATOM 277 C CYS A 18 7.464 20.507 -1.757 1.00 71.03 C ATOM 278 O CYS A 18 6.803 19.982 -0.861 1.00 10.43 O ATOM 279 CB CYS A 18 6.945 19.716 -4.073 1.00 60.10 C ATOM 280 SG CYS A 18 6.375 18.130 -3.418 1.00 75.02 S ATOM 0 H CYS A 18 7.692 22.005 -4.627 1.00 45.13 H new ATOM 0 HA CYS A 18 5.763 21.085 -2.914 1.00 44.45 H new ATOM 0 HB2 CYS A 18 6.375 19.952 -4.972 1.00 60.10 H new ATOM 0 HB3 CYS A 18 7.988 19.619 -4.373 1.00 60.10 H new ATOM 0 HG CYS A 18 6.184 18.233 -2.136 1.00 75.02 H new ATOM 286 N PHE A 19 8.759 20.780 -1.636 1.00 12.12 N ATOM 287 CA PHE A 19 9.494 20.471 -0.415 1.00 10.31 C ATOM 288 C PHE A 19 8.882 21.188 0.785 1.00 53.42 C ATOM 289 O PHE A 19 8.742 20.611 1.863 1.00 70.42 O ATOM 290 CB PHE A 19 10.964 20.869 -0.565 1.00 71.32 C ATOM 291 CG PHE A 19 11.753 20.738 0.706 1.00 1.51 C ATOM 292 CD1 PHE A 19 11.641 19.604 1.493 1.00 21.15 C ATOM 293 CD2 PHE A 19 12.607 21.751 1.114 1.00 34.00 C ATOM 294 CE1 PHE A 19 12.366 19.481 2.664 1.00 62.32 C ATOM 295 CE2 PHE A 19 13.334 21.633 2.283 1.00 44.10 C ATOM 296 CZ PHE A 19 13.213 20.497 3.059 1.00 2.34 C ATOM 0 H PHE A 19 9.321 21.214 -2.368 1.00 12.12 H new ATOM 0 HA PHE A 19 9.431 19.396 -0.245 1.00 10.31 H new ATOM 0 HB2 PHE A 19 11.424 20.248 -1.334 1.00 71.32 H new ATOM 0 HB3 PHE A 19 11.019 21.901 -0.913 1.00 71.32 H new ATOM 0 HD1 PHE A 19 10.980 18.806 1.189 1.00 21.15 H new ATOM 0 HD2 PHE A 19 12.705 22.642 0.512 1.00 34.00 H new ATOM 0 HE1 PHE A 19 12.270 18.591 3.269 1.00 62.32 H new ATOM 0 HE2 PHE A 19 13.997 22.429 2.590 1.00 44.10 H new ATOM 0 HZ PHE A 19 13.780 20.404 3.973 1.00 2.34 H new ATOM 306 N VAL A 20 8.519 22.452 0.589 1.00 15.12 N ATOM 307 CA VAL A 20 7.921 23.249 1.654 1.00 52.23 C ATOM 308 C VAL A 20 6.455 22.883 1.858 1.00 62.50 C ATOM 309 O VAL A 20 5.948 22.914 2.979 1.00 33.15 O ATOM 310 CB VAL A 20 8.024 24.756 1.352 1.00 3.11 C ATOM 311 CG1 VAL A 20 7.256 25.562 2.388 1.00 10.23 C ATOM 312 CG2 VAL A 20 9.481 25.190 1.301 1.00 65.25 C ATOM 0 H VAL A 20 8.629 22.946 -0.297 1.00 15.12 H new ATOM 0 HA VAL A 20 8.478 23.029 2.565 1.00 52.23 H new ATOM 0 HB VAL A 20 7.577 24.945 0.376 1.00 3.11 H new ATOM 0 HG11 VAL A 20 7.340 26.624 2.158 1.00 10.23 H new ATOM 0 HG12 VAL A 20 6.206 25.269 2.372 1.00 10.23 H new ATOM 0 HG13 VAL A 20 7.670 25.371 3.378 1.00 10.23 H new ATOM 0 HG21 VAL A 20 9.535 26.257 1.087 1.00 65.25 H new ATOM 0 HG22 VAL A 20 9.955 24.988 2.262 1.00 65.25 H new ATOM 0 HG23 VAL A 20 9.999 24.636 0.518 1.00 65.25 H new ATOM 322 N ILE A 21 5.781 22.535 0.767 1.00 35.45 N ATOM 323 CA ILE A 21 4.373 22.160 0.827 1.00 2.15 C ATOM 324 C ILE A 21 4.191 20.816 1.524 1.00 23.20 C ATOM 325 O ILE A 21 3.222 20.610 2.254 1.00 33.32 O ATOM 326 CB ILE A 21 3.750 22.085 -0.579 1.00 0.30 C ATOM 327 CG1 ILE A 21 4.039 23.370 -1.358 1.00 12.45 C ATOM 328 CG2 ILE A 21 2.251 21.844 -0.482 1.00 21.20 C ATOM 329 CD1 ILE A 21 3.624 24.627 -0.625 1.00 20.03 C ATOM 0 H ILE A 21 6.186 22.505 -0.168 1.00 35.45 H new ATOM 0 HA ILE A 21 3.864 22.935 1.400 1.00 2.15 H new ATOM 0 HB ILE A 21 4.199 21.249 -1.115 1.00 0.30 H new ATOM 0 HG12 ILE A 21 5.106 23.421 -1.576 1.00 12.45 H new ATOM 0 HG13 ILE A 21 3.520 23.329 -2.316 1.00 12.45 H new ATOM 0 HG21 ILE A 21 1.825 21.793 -1.484 1.00 21.20 H new ATOM 0 HG22 ILE A 21 2.067 20.904 0.039 1.00 21.20 H new ATOM 0 HG23 ILE A 21 1.786 22.661 0.069 1.00 21.20 H new ATOM 0 HD11 ILE A 21 3.859 25.499 -1.236 1.00 20.03 H new ATOM 0 HD12 ILE A 21 2.552 24.598 -0.431 1.00 20.03 H new ATOM 0 HD13 ILE A 21 4.162 24.691 0.321 1.00 20.03 H new ATOM 341 N ARG A 22 5.131 19.905 1.294 1.00 21.35 N ATOM 342 CA ARG A 22 5.075 18.580 1.900 1.00 21.24 C ATOM 343 C ARG A 22 5.200 18.671 3.419 1.00 71.45 C ATOM 344 O ARG A 22 4.815 17.750 4.141 1.00 43.23 O ATOM 345 CB ARG A 22 6.187 17.691 1.339 1.00 53.41 C ATOM 346 CG ARG A 22 7.541 17.928 1.987 1.00 21.51 C ATOM 347 CD ARG A 22 7.914 16.793 2.928 1.00 34.24 C ATOM 348 NE ARG A 22 8.881 17.214 3.938 1.00 43.33 N ATOM 349 CZ ARG A 22 9.175 16.499 5.018 1.00 43.11 C ATOM 350 NH1 ARG A 22 8.580 15.333 5.227 1.00 13.24 N ATOM 351 NH2 ARG A 22 10.067 16.950 5.891 1.00 62.31 N ATOM 0 H ARG A 22 5.940 20.060 0.693 1.00 21.35 H new ATOM 0 HA ARG A 22 4.109 18.138 1.657 1.00 21.24 H new ATOM 0 HB2 ARG A 22 5.907 16.646 1.473 1.00 53.41 H new ATOM 0 HB3 ARG A 22 6.272 17.863 0.266 1.00 53.41 H new ATOM 0 HG2 ARG A 22 8.303 18.027 1.214 1.00 21.51 H new ATOM 0 HG3 ARG A 22 7.522 18.868 2.538 1.00 21.51 H new ATOM 0 HD2 ARG A 22 7.016 16.420 3.420 1.00 34.24 H new ATOM 0 HD3 ARG A 22 8.329 15.966 2.352 1.00 34.24 H new ATOM 0 HE ARG A 22 9.357 18.107 3.807 1.00 43.33 H new ATOM 0 HH11 ARG A 22 7.895 14.983 4.558 1.00 13.24 H new ATOM 0 HH12 ARG A 22 8.808 14.786 6.057 1.00 13.24 H new ATOM 0 HH21 ARG A 22 10.527 17.846 5.733 1.00 62.31 H new ATOM 0 HH22 ARG A 22 10.292 16.400 6.720 1.00 62.31 H new ATOM 365 N THR A 23 5.741 19.787 3.897 1.00 31.21 N ATOM 366 CA THR A 23 5.918 19.998 5.328 1.00 22.42 C ATOM 367 C THR A 23 4.613 20.430 5.986 1.00 11.21 C ATOM 368 O THR A 23 4.372 20.140 7.157 1.00 35.04 O ATOM 369 CB THR A 23 6.998 21.059 5.610 1.00 24.01 C ATOM 370 OG1 THR A 23 6.452 22.371 5.439 1.00 41.51 O ATOM 371 CG2 THR A 23 8.191 20.876 4.684 1.00 5.03 C ATOM 0 H THR A 23 6.064 20.559 3.314 1.00 31.21 H new ATOM 0 HA THR A 23 6.236 19.045 5.751 1.00 22.42 H new ATOM 0 HB THR A 23 7.335 20.938 6.639 1.00 24.01 H new ATOM 0 HG1 THR A 23 6.573 22.657 4.509 1.00 41.51 H new ATOM 0 HG21 THR A 23 8.941 21.637 4.902 1.00 5.03 H new ATOM 0 HG22 THR A 23 8.622 19.887 4.838 1.00 5.03 H new ATOM 0 HG23 THR A 23 7.866 20.973 3.648 1.00 5.03 H new ATOM 379 N MET A 24 3.774 21.125 5.225 1.00 51.20 N ATOM 380 CA MET A 24 2.491 21.596 5.735 1.00 64.01 C ATOM 381 C MET A 24 1.427 20.509 5.617 1.00 44.31 C ATOM 382 O MET A 24 0.763 20.169 6.596 1.00 43.15 O ATOM 383 CB MET A 24 2.045 22.847 4.977 1.00 41.45 C ATOM 384 CG MET A 24 2.946 24.050 5.205 1.00 65.05 C ATOM 385 SD MET A 24 2.144 25.347 6.167 1.00 62.14 S ATOM 386 CE MET A 24 1.910 24.511 7.733 1.00 31.41 C ATOM 0 H MET A 24 3.959 21.375 4.253 1.00 51.20 H new ATOM 0 HA MET A 24 2.616 21.844 6.789 1.00 64.01 H new ATOM 0 HB2 MET A 24 2.014 22.624 3.911 1.00 41.45 H new ATOM 0 HB3 MET A 24 1.029 23.102 5.279 1.00 41.45 H new ATOM 0 HG2 MET A 24 3.851 23.728 5.720 1.00 65.05 H new ATOM 0 HG3 MET A 24 3.254 24.456 4.241 1.00 65.05 H new ATOM 0 HE1 MET A 24 1.488 25.207 8.458 1.00 31.41 H new ATOM 0 HE2 MET A 24 1.229 23.670 7.599 1.00 31.41 H new ATOM 0 HE3 MET A 24 2.870 24.146 8.097 1.00 31.41 H new ATOM 396 N ALA A 25 1.271 19.969 4.413 1.00 61.30 N ATOM 397 CA ALA A 25 0.289 18.920 4.168 1.00 21.43 C ATOM 398 C ALA A 25 0.915 17.537 4.316 1.00 34.24 C ATOM 399 O ALA A 25 2.117 17.364 4.116 1.00 50.41 O ATOM 400 CB ALA A 25 -0.320 19.080 2.783 1.00 34.25 C ATOM 0 H ALA A 25 1.812 20.241 3.592 1.00 61.30 H new ATOM 0 HA ALA A 25 -0.501 19.015 4.913 1.00 21.43 H new ATOM 0 HB1 ALA A 25 -1.052 18.290 2.614 1.00 34.25 H new ATOM 0 HB2 ALA A 25 -0.811 20.051 2.711 1.00 34.25 H new ATOM 0 HB3 ALA A 25 0.466 19.014 2.030 1.00 34.25 H new ATOM 406 N ARG A 26 0.092 16.555 4.669 1.00 35.21 N ATOM 407 CA ARG A 26 0.565 15.187 4.846 1.00 41.31 C ATOM 408 C ARG A 26 0.365 14.373 3.571 1.00 52.52 C ATOM 409 O ARG A 26 -0.374 13.389 3.560 1.00 74.40 O ATOM 410 CB ARG A 26 -0.166 14.518 6.011 1.00 54.21 C ATOM 411 CG ARG A 26 -1.681 14.582 5.896 1.00 23.42 C ATOM 412 CD ARG A 26 -2.279 15.520 6.932 1.00 11.13 C ATOM 413 NE ARG A 26 -3.411 16.273 6.400 1.00 53.24 N ATOM 414 CZ ARG A 26 -4.012 17.259 7.056 1.00 11.41 C ATOM 415 NH1 ARG A 26 -3.591 17.610 8.263 1.00 23.13 N ATOM 416 NH2 ARG A 26 -5.037 17.898 6.505 1.00 65.43 N ATOM 0 H ARG A 26 -0.906 16.681 4.838 1.00 35.21 H new ATOM 0 HA ARG A 26 1.631 15.224 5.069 1.00 41.31 H new ATOM 0 HB2 ARG A 26 0.142 13.474 6.071 1.00 54.21 H new ATOM 0 HB3 ARG A 26 0.140 14.994 6.943 1.00 54.21 H new ATOM 0 HG2 ARG A 26 -1.957 14.918 4.897 1.00 23.42 H new ATOM 0 HG3 ARG A 26 -2.099 13.583 6.023 1.00 23.42 H new ATOM 0 HD2 ARG A 26 -2.602 14.944 7.799 1.00 11.13 H new ATOM 0 HD3 ARG A 26 -1.513 16.214 7.278 1.00 11.13 H new ATOM 0 HE ARG A 26 -3.760 16.028 5.473 1.00 53.24 H new ATOM 0 HH11 ARG A 26 -2.804 17.122 8.690 1.00 23.13 H new ATOM 0 HH12 ARG A 26 -4.055 18.368 8.764 1.00 23.13 H new ATOM 0 HH21 ARG A 26 -5.364 17.632 5.576 1.00 65.43 H new ATOM 0 HH22 ARG A 26 -5.497 18.655 7.010 1.00 65.43 H new ATOM 430 N HIS A 27 1.028 14.792 2.497 1.00 11.04 N ATOM 431 CA HIS A 27 0.923 14.102 1.217 1.00 72.04 C ATOM 432 C HIS A 27 1.240 12.618 1.372 1.00 75.43 C ATOM 433 O HIS A 27 0.805 11.793 0.567 1.00 2.12 O ATOM 434 CB HIS A 27 1.868 14.733 0.194 1.00 3.12 C ATOM 435 CG HIS A 27 3.309 14.395 0.423 1.00 45.41 C ATOM 436 ND1 HIS A 27 3.907 14.448 1.665 1.00 71.44 N ATOM 437 CD2 HIS A 27 4.273 13.997 -0.440 1.00 42.42 C ATOM 438 CE1 HIS A 27 5.176 14.098 1.555 1.00 1.11 C ATOM 439 NE2 HIS A 27 5.424 13.819 0.288 1.00 52.50 N ATOM 0 H HIS A 27 1.643 15.606 2.488 1.00 11.04 H new ATOM 0 HA HIS A 27 -0.103 14.201 0.862 1.00 72.04 H new ATOM 0 HB2 HIS A 27 1.581 14.405 -0.805 1.00 3.12 H new ATOM 0 HB3 HIS A 27 1.748 15.816 0.221 1.00 3.12 H new ATOM 0 HD2 HIS A 27 4.158 13.847 -1.503 1.00 42.42 H new ATOM 0 HE1 HIS A 27 5.890 14.048 2.364 1.00 1.11 H new ATOM 0 HE2 HIS A 27 6.324 13.520 -0.088 1.00 52.50 H new ATOM 447 N ARG A 28 1.999 12.285 2.410 1.00 23.11 N ATOM 448 CA ARG A 28 2.376 10.900 2.669 1.00 14.40 C ATOM 449 C ARG A 28 1.153 9.988 2.627 1.00 24.13 C ATOM 450 O ARG A 28 1.222 8.865 2.128 1.00 31.41 O ATOM 451 CB ARG A 28 3.067 10.783 4.029 1.00 52.22 C ATOM 452 CG ARG A 28 3.906 9.525 4.179 1.00 62.02 C ATOM 453 CD ARG A 28 5.129 9.560 3.275 1.00 75.31 C ATOM 454 NE ARG A 28 6.374 9.493 4.035 1.00 13.22 N ATOM 455 CZ ARG A 28 7.562 9.798 3.527 1.00 65.43 C ATOM 456 NH1 ARG A 28 7.667 10.188 2.264 1.00 72.12 N ATOM 457 NH2 ARG A 28 8.650 9.712 4.282 1.00 41.40 N ATOM 0 H ARG A 28 2.365 12.955 3.086 1.00 23.11 H new ATOM 0 HA ARG A 28 3.070 10.586 1.889 1.00 14.40 H new ATOM 0 HB2 ARG A 28 3.704 11.655 4.180 1.00 52.22 H new ATOM 0 HB3 ARG A 28 2.311 10.801 4.814 1.00 52.22 H new ATOM 0 HG2 ARG A 28 4.222 9.419 5.217 1.00 62.02 H new ATOM 0 HG3 ARG A 28 3.300 8.651 3.939 1.00 62.02 H new ATOM 0 HD2 ARG A 28 5.086 8.725 2.575 1.00 75.31 H new ATOM 0 HD3 ARG A 28 5.115 10.474 2.682 1.00 75.31 H new ATOM 0 HE ARG A 28 6.328 9.196 5.010 1.00 13.22 H new ATOM 0 HH11 ARG A 28 6.834 10.254 1.680 1.00 72.12 H new ATOM 0 HH12 ARG A 28 8.581 10.422 1.877 1.00 72.12 H new ATOM 0 HH21 ARG A 28 8.574 9.411 5.254 1.00 41.40 H new ATOM 0 HH22 ARG A 28 9.562 9.947 3.891 1.00 41.40 H new ATOM 471 N ARG A 29 0.037 10.478 3.155 1.00 12.44 N ATOM 472 CA ARG A 29 -1.200 9.707 3.180 1.00 21.31 C ATOM 473 C ARG A 29 -2.350 10.503 2.570 1.00 63.22 C ATOM 474 O ARG A 29 -3.471 10.007 2.460 1.00 15.52 O ATOM 475 CB ARG A 29 -1.548 9.306 4.615 1.00 3.51 C ATOM 476 CG ARG A 29 -0.932 7.985 5.045 1.00 73.21 C ATOM 477 CD ARG A 29 -1.335 7.618 6.465 1.00 52.43 C ATOM 478 NE ARG A 29 -2.158 6.412 6.506 1.00 0.52 N ATOM 479 CZ ARG A 29 -2.848 6.030 7.575 1.00 51.11 C ATOM 480 NH1 ARG A 29 -2.815 6.756 8.684 1.00 23.42 N ATOM 481 NH2 ARG A 29 -3.574 4.920 7.535 1.00 1.02 N ATOM 0 H ARG A 29 -0.036 11.406 3.572 1.00 12.44 H new ATOM 0 HA ARG A 29 -1.049 8.806 2.585 1.00 21.31 H new ATOM 0 HB2 ARG A 29 -1.214 10.091 5.294 1.00 3.51 H new ATOM 0 HB3 ARG A 29 -2.632 9.240 4.712 1.00 3.51 H new ATOM 0 HG2 ARG A 29 -1.246 7.196 4.361 1.00 73.21 H new ATOM 0 HG3 ARG A 29 0.154 8.050 4.979 1.00 73.21 H new ATOM 0 HD2 ARG A 29 -0.440 7.467 7.068 1.00 52.43 H new ATOM 0 HD3 ARG A 29 -1.884 8.447 6.912 1.00 52.43 H new ATOM 0 HE ARG A 29 -2.206 5.832 5.669 1.00 0.52 H new ATOM 0 HH11 ARG A 29 -2.259 7.610 8.718 1.00 23.42 H new ATOM 0 HH12 ARG A 29 -3.346 6.460 9.503 1.00 23.42 H new ATOM 0 HH21 ARG A 29 -3.602 4.360 6.683 1.00 1.02 H new ATOM 0 HH22 ARG A 29 -4.104 4.627 8.356 1.00 1.02 H new ATOM 495 N ASP A 30 -2.063 11.738 2.175 1.00 42.31 N ATOM 496 CA ASP A 30 -3.072 12.603 1.575 1.00 13.12 C ATOM 497 C ASP A 30 -2.839 12.751 0.075 1.00 75.32 C ATOM 498 O ASP A 30 -3.377 13.657 -0.561 1.00 23.31 O ATOM 499 CB ASP A 30 -3.059 13.979 2.244 1.00 65.32 C ATOM 500 CG ASP A 30 -4.418 14.650 2.216 1.00 63.41 C ATOM 501 OD1 ASP A 30 -5.273 14.225 1.410 1.00 2.34 O ATOM 502 OD2 ASP A 30 -4.627 15.598 3.000 1.00 3.41 O ATOM 0 H ASP A 30 -1.140 12.163 2.259 1.00 42.31 H new ATOM 0 HA ASP A 30 -4.048 12.142 1.729 1.00 13.12 H new ATOM 0 HB2 ASP A 30 -2.730 13.874 3.278 1.00 65.32 H new ATOM 0 HB3 ASP A 30 -2.332 14.617 1.742 1.00 65.32 H new ATOM 507 N GLY A 31 -2.033 11.854 -0.485 1.00 73.31 N ATOM 508 CA GLY A 31 -1.742 11.902 -1.906 1.00 54.50 C ATOM 509 C GLY A 31 -1.285 13.275 -2.357 1.00 41.34 C ATOM 510 O GLY A 31 -0.141 13.665 -2.123 1.00 43.14 O ATOM 0 H GLY A 31 -1.576 11.095 0.020 1.00 73.31 H new ATOM 0 HA2 GLY A 31 -0.969 11.170 -2.141 1.00 54.50 H new ATOM 0 HA3 GLY A 31 -2.632 11.616 -2.466 1.00 54.50 H new ATOM 514 N LYS A 32 -2.180 14.011 -3.008 1.00 63.02 N ATOM 515 CA LYS A 32 -1.863 15.349 -3.495 1.00 21.53 C ATOM 516 C LYS A 32 -1.663 16.317 -2.333 1.00 61.22 C ATOM 517 O LYS A 32 -2.219 16.126 -1.251 1.00 62.32 O ATOM 518 CB LYS A 32 -2.978 15.858 -4.411 1.00 31.32 C ATOM 519 CG LYS A 32 -3.460 14.825 -5.414 1.00 71.44 C ATOM 520 CD LYS A 32 -2.311 14.270 -6.239 1.00 41.15 C ATOM 521 CE LYS A 32 -1.624 15.363 -7.044 1.00 54.13 C ATOM 522 NZ LYS A 32 -2.604 16.198 -7.794 1.00 5.35 N ATOM 0 H LYS A 32 -3.131 13.703 -3.211 1.00 63.02 H new ATOM 0 HA LYS A 32 -0.934 15.292 -4.062 1.00 21.53 H new ATOM 0 HB2 LYS A 32 -3.821 16.179 -3.799 1.00 31.32 H new ATOM 0 HB3 LYS A 32 -2.622 16.736 -4.949 1.00 31.32 H new ATOM 0 HG2 LYS A 32 -3.958 14.011 -4.888 1.00 71.44 H new ATOM 0 HG3 LYS A 32 -4.199 15.276 -6.076 1.00 71.44 H new ATOM 0 HD2 LYS A 32 -1.586 13.792 -5.580 1.00 41.15 H new ATOM 0 HD3 LYS A 32 -2.685 13.500 -6.914 1.00 41.15 H new ATOM 0 HE2 LYS A 32 -1.044 15.997 -6.374 1.00 54.13 H new ATOM 0 HE3 LYS A 32 -0.921 14.911 -7.744 1.00 54.13 H new ATOM 0 HZ1 LYS A 32 -2.100 16.781 -8.493 1.00 5.35 H new ATOM 0 HZ2 LYS A 32 -3.284 15.581 -8.283 1.00 5.35 H new ATOM 0 HZ3 LYS A 32 -3.113 16.816 -7.130 1.00 5.35 H new ATOM 536 N ILE A 33 -0.868 17.356 -2.565 1.00 63.32 N ATOM 537 CA ILE A 33 -0.597 18.354 -1.539 1.00 15.54 C ATOM 538 C ILE A 33 -1.335 19.657 -1.831 1.00 30.32 C ATOM 539 O ILE A 33 -1.366 20.121 -2.970 1.00 42.20 O ATOM 540 CB ILE A 33 0.910 18.647 -1.421 1.00 20.25 C ATOM 541 CG1 ILE A 33 1.723 17.508 -2.040 1.00 74.02 C ATOM 542 CG2 ILE A 33 1.298 18.849 0.037 1.00 53.54 C ATOM 543 CD1 ILE A 33 3.217 17.675 -1.879 1.00 23.11 C ATOM 0 H ILE A 33 -0.400 17.528 -3.455 1.00 63.32 H new ATOM 0 HA ILE A 33 -0.953 17.940 -0.596 1.00 15.54 H new ATOM 0 HB ILE A 33 1.130 19.565 -1.966 1.00 20.25 H new ATOM 0 HG12 ILE A 33 1.420 16.566 -1.583 1.00 74.02 H new ATOM 0 HG13 ILE A 33 1.486 17.438 -3.102 1.00 74.02 H new ATOM 0 HG21 ILE A 33 2.366 19.055 0.104 1.00 53.54 H new ATOM 0 HG22 ILE A 33 0.740 19.690 0.449 1.00 53.54 H new ATOM 0 HG23 ILE A 33 1.066 17.947 0.603 1.00 53.54 H new ATOM 0 HD11 ILE A 33 3.729 16.831 -2.341 1.00 23.11 H new ATOM 0 HD12 ILE A 33 3.534 18.600 -2.361 1.00 23.11 H new ATOM 0 HD13 ILE A 33 3.467 17.714 -0.819 1.00 23.11 H new ATOM 555 N GLN A 34 -1.926 20.241 -0.794 1.00 12.22 N ATOM 556 CA GLN A 34 -2.663 21.491 -0.940 1.00 3.14 C ATOM 557 C GLN A 34 -2.534 22.348 0.315 1.00 0.41 C ATOM 558 O GLN A 34 -2.576 21.839 1.435 1.00 75.31 O ATOM 559 CB GLN A 34 -4.138 21.208 -1.229 1.00 22.42 C ATOM 560 CG GLN A 34 -4.372 20.484 -2.545 1.00 64.11 C ATOM 561 CD GLN A 34 -4.450 18.979 -2.378 1.00 15.32 C ATOM 562 OE1 GLN A 34 -3.871 18.415 -1.449 1.00 51.12 O ATOM 563 NE2 GLN A 34 -5.170 18.320 -3.278 1.00 52.23 N ATOM 0 H GLN A 34 -1.909 19.869 0.156 1.00 12.22 H new ATOM 0 HA GLN A 34 -2.235 22.040 -1.779 1.00 3.14 H new ATOM 0 HB2 GLN A 34 -4.551 20.610 -0.416 1.00 22.42 H new ATOM 0 HB3 GLN A 34 -4.685 22.151 -1.240 1.00 22.42 H new ATOM 0 HG2 GLN A 34 -5.298 20.844 -2.994 1.00 64.11 H new ATOM 0 HG3 GLN A 34 -3.566 20.728 -3.237 1.00 64.11 H new ATOM 0 HE21 GLN A 34 -5.633 18.828 -4.032 1.00 52.23 H new ATOM 0 HE22 GLN A 34 -5.260 17.306 -3.216 1.00 52.23 H new ATOM 572 N VAL A 35 -2.376 23.654 0.120 1.00 21.24 N ATOM 573 CA VAL A 35 -2.242 24.583 1.236 1.00 25.53 C ATOM 574 C VAL A 35 -2.647 25.994 0.828 1.00 14.33 C ATOM 575 O VAL A 35 -2.477 26.393 -0.324 1.00 51.23 O ATOM 576 CB VAL A 35 -0.798 24.610 1.773 1.00 50.11 C ATOM 577 CG1 VAL A 35 -0.540 23.412 2.674 1.00 52.01 C ATOM 578 CG2 VAL A 35 0.197 24.646 0.623 1.00 51.53 C ATOM 0 H VAL A 35 -2.338 24.092 -0.800 1.00 21.24 H new ATOM 0 HA VAL A 35 -2.908 24.230 2.023 1.00 25.53 H new ATOM 0 HB VAL A 35 -0.667 25.515 2.366 1.00 50.11 H new ATOM 0 HG11 VAL A 35 0.485 23.449 3.043 1.00 52.01 H new ATOM 0 HG12 VAL A 35 -1.231 23.435 3.517 1.00 52.01 H new ATOM 0 HG13 VAL A 35 -0.689 22.492 2.108 1.00 52.01 H new ATOM 0 HG21 VAL A 35 1.212 24.665 1.020 1.00 51.53 H new ATOM 0 HG22 VAL A 35 0.067 23.760 0.002 1.00 51.53 H new ATOM 0 HG23 VAL A 35 0.026 25.539 0.022 1.00 51.53 H new ATOM 588 N THR A 36 -3.186 26.748 1.782 1.00 44.42 N ATOM 589 CA THR A 36 -3.617 28.116 1.522 1.00 2.13 C ATOM 590 C THR A 36 -2.443 29.086 1.593 1.00 23.43 C ATOM 591 O THR A 36 -1.431 28.805 2.237 1.00 51.32 O ATOM 592 CB THR A 36 -4.699 28.564 2.523 1.00 24.45 C ATOM 593 OG1 THR A 36 -4.311 28.207 3.855 1.00 33.11 O ATOM 594 CG2 THR A 36 -6.040 27.926 2.192 1.00 45.30 C ATOM 0 H THR A 36 -3.334 26.434 2.741 1.00 44.42 H new ATOM 0 HA THR A 36 -4.035 28.129 0.515 1.00 2.13 H new ATOM 0 HB THR A 36 -4.803 29.647 2.452 1.00 24.45 H new ATOM 0 HG1 THR A 36 -5.003 28.496 4.486 1.00 33.11 H new ATOM 0 HG21 THR A 36 -6.788 28.257 2.912 1.00 45.30 H new ATOM 0 HG22 THR A 36 -6.346 28.222 1.189 1.00 45.30 H new ATOM 0 HG23 THR A 36 -5.948 26.841 2.238 1.00 45.30 H new ATOM 602 N PHE A 37 -2.583 30.228 0.929 1.00 74.23 N ATOM 603 CA PHE A 37 -1.533 31.240 0.916 1.00 33.54 C ATOM 604 C PHE A 37 -1.114 31.606 2.337 1.00 32.32 C ATOM 605 O PHE A 37 0.073 31.640 2.657 1.00 64.44 O ATOM 606 CB PHE A 37 -2.009 32.490 0.175 1.00 55.32 C ATOM 607 CG PHE A 37 -1.171 33.706 0.450 1.00 34.10 C ATOM 608 CD1 PHE A 37 0.212 33.634 0.409 1.00 73.12 C ATOM 609 CD2 PHE A 37 -1.767 34.921 0.749 1.00 24.35 C ATOM 610 CE1 PHE A 37 0.985 34.751 0.662 1.00 21.25 C ATOM 611 CE2 PHE A 37 -0.998 36.041 1.004 1.00 52.33 C ATOM 612 CZ PHE A 37 0.379 35.956 0.959 1.00 5.30 C ATOM 0 H PHE A 37 -3.414 30.476 0.392 1.00 74.23 H new ATOM 0 HA PHE A 37 -0.669 30.825 0.396 1.00 33.54 H new ATOM 0 HB2 PHE A 37 -2.005 32.291 -0.897 1.00 55.32 H new ATOM 0 HB3 PHE A 37 -3.041 32.699 0.457 1.00 55.32 H new ATOM 0 HD1 PHE A 37 0.691 32.694 0.177 1.00 73.12 H new ATOM 0 HD2 PHE A 37 -2.844 34.994 0.783 1.00 24.35 H new ATOM 0 HE1 PHE A 37 2.062 34.682 0.628 1.00 21.25 H new ATOM 0 HE2 PHE A 37 -1.474 36.982 1.238 1.00 52.33 H new ATOM 0 HZ PHE A 37 0.982 36.830 1.156 1.00 5.30 H new ATOM 622 N GLY A 38 -2.100 31.880 3.187 1.00 62.14 N ATOM 623 CA GLY A 38 -1.814 32.241 4.563 1.00 60.21 C ATOM 624 C GLY A 38 -0.890 31.249 5.242 1.00 14.44 C ATOM 625 O GLY A 38 0.083 31.640 5.886 1.00 31.52 O ATOM 0 H GLY A 38 -3.091 31.858 2.947 1.00 62.14 H new ATOM 0 HA2 GLY A 38 -1.361 33.232 4.589 1.00 60.21 H new ATOM 0 HA3 GLY A 38 -2.748 32.303 5.121 1.00 60.21 H new ATOM 629 N GLU A 39 -1.197 29.964 5.100 1.00 31.33 N ATOM 630 CA GLU A 39 -0.388 28.914 5.708 1.00 3.24 C ATOM 631 C GLU A 39 1.006 28.874 5.088 1.00 71.41 C ATOM 632 O GLU A 39 2.014 28.885 5.796 1.00 72.31 O ATOM 633 CB GLU A 39 -1.070 27.554 5.546 1.00 51.40 C ATOM 634 CG GLU A 39 -1.699 27.032 6.827 1.00 42.02 C ATOM 635 CD GLU A 39 -2.395 25.699 6.633 1.00 14.14 C ATOM 636 OE1 GLU A 39 -3.551 25.698 6.161 1.00 75.31 O ATOM 637 OE2 GLU A 39 -1.785 24.658 6.954 1.00 12.04 O ATOM 0 H GLU A 39 -2.000 29.625 4.570 1.00 31.33 H new ATOM 0 HA GLU A 39 -0.288 29.137 6.770 1.00 3.24 H new ATOM 0 HB2 GLU A 39 -1.840 27.632 4.779 1.00 51.40 H new ATOM 0 HB3 GLU A 39 -0.337 26.830 5.190 1.00 51.40 H new ATOM 0 HG2 GLU A 39 -0.928 26.927 7.590 1.00 42.02 H new ATOM 0 HG3 GLU A 39 -2.418 27.762 7.199 1.00 42.02 H new ATOM 644 N LEU A 40 1.055 28.826 3.761 1.00 30.22 N ATOM 645 CA LEU A 40 2.324 28.783 3.044 1.00 64.13 C ATOM 646 C LEU A 40 3.229 29.936 3.467 1.00 33.24 C ATOM 647 O LEU A 40 4.384 29.728 3.840 1.00 52.14 O ATOM 648 CB LEU A 40 2.082 28.838 1.534 1.00 13.14 C ATOM 649 CG LEU A 40 2.519 27.608 0.739 1.00 72.33 C ATOM 650 CD1 LEU A 40 2.191 27.782 -0.736 1.00 62.41 C ATOM 651 CD2 LEU A 40 4.006 27.350 0.930 1.00 63.23 C ATOM 0 H LEU A 40 0.231 28.816 3.160 1.00 30.22 H new ATOM 0 HA LEU A 40 2.821 27.845 3.293 1.00 64.13 H new ATOM 0 HB2 LEU A 40 1.017 28.997 1.362 1.00 13.14 H new ATOM 0 HB3 LEU A 40 2.603 29.708 1.134 1.00 13.14 H new ATOM 0 HG LEU A 40 1.970 26.744 1.113 1.00 72.33 H new ATOM 0 HD11 LEU A 40 2.509 26.897 -1.286 1.00 62.41 H new ATOM 0 HD12 LEU A 40 1.116 27.917 -0.856 1.00 62.41 H new ATOM 0 HD13 LEU A 40 2.712 28.657 -1.124 1.00 62.41 H new ATOM 0 HD21 LEU A 40 4.299 26.471 0.357 1.00 63.23 H new ATOM 0 HD22 LEU A 40 4.573 28.214 0.584 1.00 63.23 H new ATOM 0 HD23 LEU A 40 4.213 27.180 1.987 1.00 63.23 H new ATOM 663 N PHE A 41 2.695 31.151 3.410 1.00 10.41 N ATOM 664 CA PHE A 41 3.453 32.338 3.789 1.00 23.02 C ATOM 665 C PHE A 41 3.945 32.232 5.230 1.00 64.34 C ATOM 666 O PHE A 41 5.130 32.422 5.508 1.00 75.20 O ATOM 667 CB PHE A 41 2.594 33.593 3.623 1.00 31.01 C ATOM 668 CG PHE A 41 3.392 34.865 3.587 1.00 15.24 C ATOM 669 CD1 PHE A 41 3.978 35.298 2.409 1.00 72.01 C ATOM 670 CD2 PHE A 41 3.555 35.629 4.732 1.00 34.41 C ATOM 671 CE1 PHE A 41 4.713 36.468 2.374 1.00 72.24 C ATOM 672 CE2 PHE A 41 4.288 36.800 4.703 1.00 63.32 C ATOM 673 CZ PHE A 41 4.867 37.220 3.522 1.00 43.35 C ATOM 0 H PHE A 41 1.740 31.340 3.105 1.00 10.41 H new ATOM 0 HA PHE A 41 4.319 32.410 3.132 1.00 23.02 H new ATOM 0 HB2 PHE A 41 2.017 33.509 2.702 1.00 31.01 H new ATOM 0 HB3 PHE A 41 1.879 33.645 4.444 1.00 31.01 H new ATOM 0 HD1 PHE A 41 3.859 34.715 1.508 1.00 72.01 H new ATOM 0 HD2 PHE A 41 3.104 35.305 5.658 1.00 34.41 H new ATOM 0 HE1 PHE A 41 5.167 36.794 1.450 1.00 72.24 H new ATOM 0 HE2 PHE A 41 4.408 37.386 5.602 1.00 63.32 H new ATOM 0 HZ PHE A 41 5.440 38.135 3.496 1.00 43.35 H new ATOM 683 N ASP A 42 3.028 31.928 6.141 1.00 71.42 N ATOM 684 CA ASP A 42 3.367 31.795 7.553 1.00 42.31 C ATOM 685 C ASP A 42 4.442 30.732 7.756 1.00 34.34 C ATOM 686 O ASP A 42 5.106 30.697 8.792 1.00 23.11 O ATOM 687 CB ASP A 42 2.122 31.442 8.368 1.00 52.43 C ATOM 688 CG ASP A 42 1.556 32.639 9.107 1.00 34.42 C ATOM 689 OD1 ASP A 42 0.901 33.482 8.459 1.00 71.01 O ATOM 690 OD2 ASP A 42 1.766 32.731 10.334 1.00 4.14 O ATOM 0 H ASP A 42 2.043 31.769 5.927 1.00 71.42 H new ATOM 0 HA ASP A 42 3.758 32.752 7.899 1.00 42.31 H new ATOM 0 HB2 ASP A 42 1.360 31.035 7.704 1.00 52.43 H new ATOM 0 HB3 ASP A 42 2.370 30.660 9.085 1.00 52.43 H new ATOM 695 N ARG A 43 4.605 29.865 6.762 1.00 43.41 N ATOM 696 CA ARG A 43 5.597 28.799 6.833 1.00 41.32 C ATOM 697 C ARG A 43 6.905 29.228 6.173 1.00 14.33 C ATOM 698 O ARG A 43 7.989 28.844 6.613 1.00 74.24 O ATOM 699 CB ARG A 43 5.065 27.533 6.159 1.00 2.10 C ATOM 700 CG ARG A 43 6.130 26.473 5.927 1.00 52.52 C ATOM 701 CD ARG A 43 6.819 26.083 7.225 1.00 65.14 C ATOM 702 NE ARG A 43 5.901 25.440 8.160 1.00 30.15 N ATOM 703 CZ ARG A 43 6.139 25.325 9.462 1.00 24.22 C ATOM 704 NH1 ARG A 43 7.261 25.807 9.979 1.00 12.33 N ATOM 705 NH2 ARG A 43 5.255 24.726 10.250 1.00 53.44 N ATOM 0 H ARG A 43 4.063 29.880 5.898 1.00 43.41 H new ATOM 0 HA ARG A 43 5.793 28.588 7.884 1.00 41.32 H new ATOM 0 HB2 ARG A 43 4.271 27.110 6.775 1.00 2.10 H new ATOM 0 HB3 ARG A 43 4.617 27.802 5.202 1.00 2.10 H new ATOM 0 HG2 ARG A 43 5.675 25.591 5.476 1.00 52.52 H new ATOM 0 HG3 ARG A 43 6.870 26.847 5.219 1.00 52.52 H new ATOM 0 HD2 ARG A 43 7.647 25.408 7.007 1.00 65.14 H new ATOM 0 HD3 ARG A 43 7.246 26.972 7.690 1.00 65.14 H new ATOM 0 HE ARG A 43 5.029 25.058 7.794 1.00 30.15 H new ATOM 0 HH11 ARG A 43 7.944 26.267 9.377 1.00 12.33 H new ATOM 0 HH12 ARG A 43 7.441 25.718 10.979 1.00 12.33 H new ATOM 0 HH21 ARG A 43 4.391 24.353 9.856 1.00 53.44 H new ATOM 0 HH22 ARG A 43 5.439 24.639 11.249 1.00 53.44 H new ATOM 719 N TYR A 44 6.794 30.026 5.117 1.00 2.11 N ATOM 720 CA TYR A 44 7.967 30.505 4.395 1.00 10.01 C ATOM 721 C TYR A 44 8.629 31.661 5.138 1.00 43.42 C ATOM 722 O TYR A 44 9.830 31.895 5.002 1.00 4.31 O ATOM 723 CB TYR A 44 7.577 30.947 2.984 1.00 45.34 C ATOM 724 CG TYR A 44 8.084 30.024 1.898 1.00 35.15 C ATOM 725 CD1 TYR A 44 7.350 28.910 1.508 1.00 2.34 C ATOM 726 CD2 TYR A 44 9.295 30.266 1.262 1.00 1.05 C ATOM 727 CE1 TYR A 44 7.809 28.064 0.518 1.00 22.31 C ATOM 728 CE2 TYR A 44 9.761 29.426 0.270 1.00 23.40 C ATOM 729 CZ TYR A 44 9.015 28.326 -0.098 1.00 61.42 C ATOM 730 OH TYR A 44 9.475 27.485 -1.086 1.00 41.52 O ATOM 0 H TYR A 44 5.904 30.355 4.742 1.00 2.11 H new ATOM 0 HA TYR A 44 8.681 29.684 4.327 1.00 10.01 H new ATOM 0 HB2 TYR A 44 6.491 31.009 2.919 1.00 45.34 H new ATOM 0 HB3 TYR A 44 7.964 31.950 2.807 1.00 45.34 H new ATOM 0 HD1 TYR A 44 6.405 28.703 1.987 1.00 2.34 H new ATOM 0 HD2 TYR A 44 9.882 31.126 1.548 1.00 1.05 H new ATOM 0 HE1 TYR A 44 7.227 27.202 0.228 1.00 22.31 H new ATOM 0 HE2 TYR A 44 10.704 29.629 -0.215 1.00 23.40 H new ATOM 0 HH TYR A 44 10.338 27.811 -1.418 1.00 41.52 H new ATOM 740 N VAL A 45 7.837 32.382 5.925 1.00 53.12 N ATOM 741 CA VAL A 45 8.345 33.514 6.692 1.00 75.55 C ATOM 742 C VAL A 45 9.500 33.092 7.592 1.00 2.53 C ATOM 743 O VAL A 45 10.372 33.899 7.919 1.00 74.53 O ATOM 744 CB VAL A 45 7.239 34.147 7.556 1.00 14.22 C ATOM 745 CG1 VAL A 45 6.169 34.778 6.678 1.00 44.55 C ATOM 746 CG2 VAL A 45 6.631 33.109 8.487 1.00 14.45 C ATOM 0 H VAL A 45 6.841 32.202 6.048 1.00 53.12 H new ATOM 0 HA VAL A 45 8.700 34.252 5.972 1.00 75.55 H new ATOM 0 HB VAL A 45 7.685 34.933 8.166 1.00 14.22 H new ATOM 0 HG11 VAL A 45 5.396 35.220 7.307 1.00 44.55 H new ATOM 0 HG12 VAL A 45 6.618 35.553 6.057 1.00 44.55 H new ATOM 0 HG13 VAL A 45 5.725 34.014 6.040 1.00 44.55 H new ATOM 0 HG21 VAL A 45 5.851 33.574 9.090 1.00 14.45 H new ATOM 0 HG22 VAL A 45 6.200 32.300 7.898 1.00 14.45 H new ATOM 0 HG23 VAL A 45 7.406 32.709 9.141 1.00 14.45 H new ATOM 756 N ARG A 46 9.501 31.825 7.991 1.00 61.44 N ATOM 757 CA ARG A 46 10.550 31.296 8.855 1.00 53.03 C ATOM 758 C ARG A 46 11.698 30.723 8.029 1.00 53.34 C ATOM 759 O ARG A 46 12.583 30.052 8.560 1.00 74.43 O ATOM 760 CB ARG A 46 9.983 30.216 9.778 1.00 70.21 C ATOM 761 CG ARG A 46 9.477 30.754 11.106 1.00 15.00 C ATOM 762 CD ARG A 46 8.706 29.695 11.879 1.00 23.10 C ATOM 763 NE ARG A 46 7.442 30.208 12.399 1.00 74.04 N ATOM 764 CZ ARG A 46 6.739 29.604 13.350 1.00 32.23 C ATOM 765 NH1 ARG A 46 7.176 28.471 13.884 1.00 54.23 N ATOM 766 NH2 ARG A 46 5.597 30.133 13.771 1.00 72.24 N ATOM 0 H ARG A 46 8.787 31.145 7.730 1.00 61.44 H new ATOM 0 HA ARG A 46 10.935 32.116 9.460 1.00 53.03 H new ATOM 0 HB2 ARG A 46 9.166 29.706 9.267 1.00 70.21 H new ATOM 0 HB3 ARG A 46 10.755 29.471 9.968 1.00 70.21 H new ATOM 0 HG2 ARG A 46 10.320 31.101 11.704 1.00 15.00 H new ATOM 0 HG3 ARG A 46 8.835 31.617 10.929 1.00 15.00 H new ATOM 0 HD2 ARG A 46 8.511 28.842 11.229 1.00 23.10 H new ATOM 0 HD3 ARG A 46 9.317 29.333 12.705 1.00 23.10 H new ATOM 0 HE ARG A 46 7.079 31.078 12.010 1.00 74.04 H new ATOM 0 HH11 ARG A 46 8.054 28.062 13.564 1.00 54.23 H new ATOM 0 HH12 ARG A 46 6.634 28.009 14.614 1.00 54.23 H new ATOM 0 HH21 ARG A 46 5.258 31.005 13.364 1.00 72.24 H new ATOM 0 HH22 ARG A 46 5.058 29.668 14.502 1.00 72.24 H new ATOM 780 N ILE A 47 11.676 30.993 6.728 1.00 53.12 N ATOM 781 CA ILE A 47 12.715 30.505 5.829 1.00 14.13 C ATOM 782 C ILE A 47 13.233 31.622 4.930 1.00 3.45 C ATOM 783 O ILE A 47 14.359 32.093 5.094 1.00 20.33 O ATOM 784 CB ILE A 47 12.201 29.350 4.949 1.00 11.32 C ATOM 785 CG1 ILE A 47 11.725 28.187 5.822 1.00 4.33 C ATOM 786 CG2 ILE A 47 13.289 28.890 3.991 1.00 3.10 C ATOM 787 CD1 ILE A 47 11.003 27.107 5.048 1.00 23.45 C ATOM 0 H ILE A 47 10.950 31.547 6.273 1.00 53.12 H new ATOM 0 HA ILE A 47 13.528 30.139 6.456 1.00 14.13 H new ATOM 0 HB ILE A 47 11.355 29.708 4.362 1.00 11.32 H new ATOM 0 HG12 ILE A 47 12.585 27.747 6.328 1.00 4.33 H new ATOM 0 HG13 ILE A 47 11.062 28.572 6.597 1.00 4.33 H new ATOM 0 HG21 ILE A 47 12.911 28.073 3.376 1.00 3.10 H new ATOM 0 HG22 ILE A 47 13.584 29.721 3.350 1.00 3.10 H new ATOM 0 HG23 ILE A 47 14.153 28.546 4.560 1.00 3.10 H new ATOM 0 HD11 ILE A 47 10.694 26.315 5.730 1.00 23.45 H new ATOM 0 HD12 ILE A 47 10.124 27.532 4.564 1.00 23.45 H new ATOM 0 HD13 ILE A 47 11.670 26.694 4.291 1.00 23.45 H new ATOM 799 N SER A 48 12.404 32.044 3.981 1.00 11.34 N ATOM 800 CA SER A 48 12.779 33.106 3.055 1.00 62.34 C ATOM 801 C SER A 48 11.746 34.229 3.068 1.00 64.44 C ATOM 802 O SER A 48 12.085 35.400 2.899 1.00 51.21 O ATOM 803 CB SER A 48 12.924 32.547 1.638 1.00 71.03 C ATOM 804 OG SER A 48 14.025 33.136 0.967 1.00 14.12 O ATOM 0 H SER A 48 11.468 31.667 3.833 1.00 11.34 H new ATOM 0 HA SER A 48 13.737 33.514 3.377 1.00 62.34 H new ATOM 0 HB2 SER A 48 13.057 31.466 1.682 1.00 71.03 H new ATOM 0 HB3 SER A 48 12.009 32.733 1.075 1.00 71.03 H new ATOM 0 HG SER A 48 14.196 32.653 0.132 1.00 14.12 H new ATOM 810 N ASP A 49 10.486 33.862 3.269 1.00 33.30 N ATOM 811 CA ASP A 49 9.402 34.837 3.305 1.00 21.04 C ATOM 812 C ASP A 49 9.168 35.441 1.924 1.00 33.32 C ATOM 813 O ASP A 49 9.358 36.639 1.718 1.00 43.40 O ATOM 814 CB ASP A 49 9.717 35.944 4.313 1.00 62.13 C ATOM 815 CG ASP A 49 8.480 36.710 4.737 1.00 33.23 C ATOM 816 OD1 ASP A 49 7.746 37.192 3.849 1.00 41.31 O ATOM 817 OD2 ASP A 49 8.244 36.826 5.958 1.00 61.10 O ATOM 0 H ASP A 49 10.189 32.896 3.410 1.00 33.30 H new ATOM 0 HA ASP A 49 8.493 34.322 3.615 1.00 21.04 H new ATOM 0 HB2 ASP A 49 10.189 35.507 5.193 1.00 62.13 H new ATOM 0 HB3 ASP A 49 10.437 36.636 3.875 1.00 62.13 H new ATOM 822 N LYS A 50 8.754 34.602 0.980 1.00 1.21 N ATOM 823 CA LYS A 50 8.493 35.052 -0.382 1.00 62.42 C ATOM 824 C LYS A 50 7.914 33.921 -1.226 1.00 53.05 C ATOM 825 O LYS A 50 8.216 33.802 -2.414 1.00 20.31 O ATOM 826 CB LYS A 50 9.780 35.574 -1.024 1.00 65.43 C ATOM 827 CG LYS A 50 10.801 34.486 -1.311 1.00 45.31 C ATOM 828 CD LYS A 50 12.110 34.745 -0.584 1.00 24.41 C ATOM 829 CE LYS A 50 12.738 36.061 -1.016 1.00 60.24 C ATOM 830 NZ LYS A 50 12.858 37.017 0.119 1.00 40.45 N ATOM 0 H LYS A 50 8.592 33.607 1.134 1.00 1.21 H new ATOM 0 HA LYS A 50 7.763 35.860 -0.338 1.00 62.42 H new ATOM 0 HB2 LYS A 50 9.531 36.082 -1.956 1.00 65.43 H new ATOM 0 HB3 LYS A 50 10.229 36.318 -0.365 1.00 65.43 H new ATOM 0 HG2 LYS A 50 10.400 33.519 -1.007 1.00 45.31 H new ATOM 0 HG3 LYS A 50 10.984 34.431 -2.384 1.00 45.31 H new ATOM 0 HD2 LYS A 50 11.933 34.761 0.491 1.00 24.41 H new ATOM 0 HD3 LYS A 50 12.804 33.928 -0.780 1.00 24.41 H new ATOM 0 HE2 LYS A 50 13.725 35.871 -1.437 1.00 60.24 H new ATOM 0 HE3 LYS A 50 12.135 36.509 -1.806 1.00 60.24 H new ATOM 0 HZ1 LYS A 50 12.979 37.982 -0.251 1.00 40.45 H new ATOM 0 HZ2 LYS A 50 11.997 36.975 0.701 1.00 40.45 H new ATOM 0 HZ3 LYS A 50 13.682 36.764 0.701 1.00 40.45 H new ATOM 844 N VAL A 51 7.078 33.094 -0.606 1.00 62.24 N ATOM 845 CA VAL A 51 6.454 31.974 -1.302 1.00 2.43 C ATOM 846 C VAL A 51 5.733 32.443 -2.560 1.00 73.44 C ATOM 847 O VAL A 51 5.862 31.838 -3.625 1.00 22.43 O ATOM 848 CB VAL A 51 5.452 31.237 -0.393 1.00 43.51 C ATOM 849 CG1 VAL A 51 4.441 32.213 0.188 1.00 13.34 C ATOM 850 CG2 VAL A 51 4.753 30.127 -1.162 1.00 51.04 C ATOM 0 H VAL A 51 6.817 33.178 0.376 1.00 62.24 H new ATOM 0 HA VAL A 51 7.254 31.288 -1.580 1.00 2.43 H new ATOM 0 HB VAL A 51 6.001 30.785 0.433 1.00 43.51 H new ATOM 0 HG11 VAL A 51 3.741 31.675 0.827 1.00 13.34 H new ATOM 0 HG12 VAL A 51 4.961 32.969 0.776 1.00 13.34 H new ATOM 0 HG13 VAL A 51 3.894 32.696 -0.622 1.00 13.34 H new ATOM 0 HG21 VAL A 51 4.049 29.617 -0.505 1.00 51.04 H new ATOM 0 HG22 VAL A 51 4.215 30.554 -2.009 1.00 51.04 H new ATOM 0 HG23 VAL A 51 5.493 29.414 -1.524 1.00 51.04 H new ATOM 860 N VAL A 52 4.972 33.525 -2.432 1.00 10.11 N ATOM 861 CA VAL A 52 4.230 34.077 -3.560 1.00 24.34 C ATOM 862 C VAL A 52 5.151 34.343 -4.745 1.00 72.44 C ATOM 863 O VAL A 52 4.761 34.167 -5.899 1.00 21.31 O ATOM 864 CB VAL A 52 3.516 35.386 -3.175 1.00 34.41 C ATOM 865 CG1 VAL A 52 2.935 36.060 -4.409 1.00 24.12 C ATOM 866 CG2 VAL A 52 2.430 35.116 -2.144 1.00 53.22 C ATOM 0 H VAL A 52 4.853 34.037 -1.558 1.00 10.11 H new ATOM 0 HA VAL A 52 3.484 33.334 -3.843 1.00 24.34 H new ATOM 0 HB VAL A 52 4.247 36.062 -2.731 1.00 34.41 H new ATOM 0 HG11 VAL A 52 2.434 36.983 -4.118 1.00 24.12 H new ATOM 0 HG12 VAL A 52 3.737 36.288 -5.111 1.00 24.12 H new ATOM 0 HG13 VAL A 52 2.217 35.392 -4.884 1.00 24.12 H new ATOM 0 HG21 VAL A 52 1.935 36.052 -1.883 1.00 53.22 H new ATOM 0 HG22 VAL A 52 1.699 34.422 -2.559 1.00 53.22 H new ATOM 0 HG23 VAL A 52 2.877 34.680 -1.250 1.00 53.22 H new ATOM 876 N GLY A 53 6.376 34.768 -4.453 1.00 24.41 N ATOM 877 CA GLY A 53 7.334 35.051 -5.506 1.00 23.24 C ATOM 878 C GLY A 53 7.833 33.793 -6.189 1.00 52.25 C ATOM 879 O GLY A 53 8.137 33.807 -7.383 1.00 33.33 O ATOM 0 H GLY A 53 6.722 34.921 -3.506 1.00 24.41 H new ATOM 0 HA2 GLY A 53 6.873 35.704 -6.247 1.00 23.24 H new ATOM 0 HA3 GLY A 53 8.181 35.593 -5.086 1.00 23.24 H new ATOM 883 N ILE A 54 7.919 32.705 -5.433 1.00 31.53 N ATOM 884 CA ILE A 54 8.385 31.434 -5.973 1.00 72.35 C ATOM 885 C ILE A 54 7.297 30.755 -6.799 1.00 15.35 C ATOM 886 O ILE A 54 7.583 30.077 -7.786 1.00 53.34 O ATOM 887 CB ILE A 54 8.836 30.477 -4.854 1.00 41.11 C ATOM 888 CG1 ILE A 54 9.939 31.125 -4.014 1.00 35.35 C ATOM 889 CG2 ILE A 54 9.317 29.160 -5.445 1.00 4.33 C ATOM 890 CD1 ILE A 54 9.756 30.930 -2.525 1.00 2.14 C ATOM 0 H ILE A 54 7.672 32.678 -4.444 1.00 31.53 H new ATOM 0 HA ILE A 54 9.238 31.658 -6.613 1.00 72.35 H new ATOM 0 HB ILE A 54 7.984 30.272 -4.206 1.00 41.11 H new ATOM 0 HG12 ILE A 54 10.902 30.710 -4.311 1.00 35.35 H new ATOM 0 HG13 ILE A 54 9.971 32.193 -4.232 1.00 35.35 H new ATOM 0 HG21 ILE A 54 9.632 28.494 -4.642 1.00 4.33 H new ATOM 0 HG22 ILE A 54 8.506 28.694 -6.005 1.00 4.33 H new ATOM 0 HG23 ILE A 54 10.158 29.346 -6.113 1.00 4.33 H new ATOM 0 HD11 ILE A 54 10.573 31.415 -1.991 1.00 2.14 H new ATOM 0 HD12 ILE A 54 8.808 31.370 -2.214 1.00 2.14 H new ATOM 0 HD13 ILE A 54 9.754 29.865 -2.295 1.00 2.14 H new ATOM 902 N LEU A 55 6.047 30.943 -6.388 1.00 42.43 N ATOM 903 CA LEU A 55 4.914 30.351 -7.091 1.00 11.25 C ATOM 904 C LEU A 55 4.968 30.673 -8.581 1.00 22.24 C ATOM 905 O LEU A 55 4.545 29.872 -9.414 1.00 11.40 O ATOM 906 CB LEU A 55 3.599 30.858 -6.496 1.00 32.45 C ATOM 907 CG LEU A 55 3.280 30.388 -5.076 1.00 11.45 C ATOM 908 CD1 LEU A 55 1.908 30.884 -4.645 1.00 71.32 C ATOM 909 CD2 LEU A 55 3.353 28.871 -4.986 1.00 44.10 C ATOM 0 H LEU A 55 5.793 31.500 -5.572 1.00 42.43 H new ATOM 0 HA LEU A 55 4.968 29.269 -6.970 1.00 11.25 H new ATOM 0 HB2 LEU A 55 3.617 31.948 -6.501 1.00 32.45 H new ATOM 0 HB3 LEU A 55 2.784 30.550 -7.151 1.00 32.45 H new ATOM 0 HG LEU A 55 4.025 30.808 -4.400 1.00 11.45 H new ATOM 0 HD11 LEU A 55 1.698 30.540 -3.632 1.00 71.32 H new ATOM 0 HD12 LEU A 55 1.891 31.974 -4.669 1.00 71.32 H new ATOM 0 HD13 LEU A 55 1.150 30.494 -5.325 1.00 71.32 H new ATOM 0 HD21 LEU A 55 3.123 28.555 -3.968 1.00 44.10 H new ATOM 0 HD22 LEU A 55 2.632 28.431 -5.674 1.00 44.10 H new ATOM 0 HD23 LEU A 55 4.357 28.539 -5.251 1.00 44.10 H new ATOM 921 N MET A 56 5.494 31.849 -8.908 1.00 70.41 N ATOM 922 CA MET A 56 5.607 32.274 -10.298 1.00 51.14 C ATOM 923 C MET A 56 6.402 31.260 -11.115 1.00 32.25 C ATOM 924 O MET A 56 6.139 31.061 -12.301 1.00 4.41 O ATOM 925 CB MET A 56 6.274 33.648 -10.381 1.00 5.21 C ATOM 926 CG MET A 56 5.556 34.722 -9.580 1.00 23.24 C ATOM 927 SD MET A 56 6.056 36.390 -10.048 1.00 63.45 S ATOM 928 CE MET A 56 4.521 37.029 -10.712 1.00 15.41 C ATOM 0 H MET A 56 5.848 32.524 -8.230 1.00 70.41 H new ATOM 0 HA MET A 56 4.602 32.340 -10.714 1.00 51.14 H new ATOM 0 HB2 MET A 56 7.301 33.566 -10.025 1.00 5.21 H new ATOM 0 HB3 MET A 56 6.322 33.957 -11.425 1.00 5.21 H new ATOM 0 HG2 MET A 56 4.480 34.617 -9.721 1.00 23.24 H new ATOM 0 HG3 MET A 56 5.755 34.572 -8.519 1.00 23.24 H new ATOM 0 HE1 MET A 56 4.668 38.056 -11.045 1.00 15.41 H new ATOM 0 HE2 MET A 56 4.206 36.415 -11.556 1.00 15.41 H new ATOM 0 HE3 MET A 56 3.752 37.005 -9.939 1.00 15.41 H new ATOM 938 N ARG A 57 7.374 30.621 -10.472 1.00 12.04 N ATOM 939 CA ARG A 57 8.208 29.629 -11.139 1.00 34.51 C ATOM 940 C ARG A 57 7.408 28.366 -11.448 1.00 22.03 C ATOM 941 O ARG A 57 7.466 27.839 -12.558 1.00 25.40 O ATOM 942 CB ARG A 57 9.417 29.279 -10.269 1.00 51.44 C ATOM 943 CG ARG A 57 10.209 28.086 -10.779 1.00 1.44 C ATOM 944 CD ARG A 57 11.360 27.742 -9.846 1.00 15.44 C ATOM 945 NE ARG A 57 12.307 28.846 -9.714 1.00 54.31 N ATOM 946 CZ ARG A 57 13.145 29.214 -10.676 1.00 64.44 C ATOM 947 NH1 ARG A 57 13.154 28.568 -11.835 1.00 1.43 N ATOM 948 NH2 ARG A 57 13.977 30.229 -10.481 1.00 64.43 N ATOM 0 H ARG A 57 7.603 30.773 -9.490 1.00 12.04 H new ATOM 0 HA ARG A 57 8.557 30.057 -12.079 1.00 34.51 H new ATOM 0 HB2 ARG A 57 10.076 30.145 -10.213 1.00 51.44 H new ATOM 0 HB3 ARG A 57 9.076 29.071 -9.255 1.00 51.44 H new ATOM 0 HG2 ARG A 57 9.549 27.224 -10.877 1.00 1.44 H new ATOM 0 HG3 ARG A 57 10.598 28.304 -11.774 1.00 1.44 H new ATOM 0 HD2 ARG A 57 10.965 27.484 -8.863 1.00 15.44 H new ATOM 0 HD3 ARG A 57 11.880 26.861 -10.222 1.00 15.44 H new ATOM 0 HE ARG A 57 12.326 29.363 -8.835 1.00 54.31 H new ATOM 0 HH11 ARG A 57 12.516 27.787 -11.988 1.00 1.43 H new ATOM 0 HH12 ARG A 57 13.799 28.853 -12.572 1.00 1.43 H new ATOM 0 HH21 ARG A 57 13.973 30.728 -9.591 1.00 64.43 H new ATOM 0 HH22 ARG A 57 14.620 30.511 -11.221 1.00 64.43 H new ATOM 962 N ALA A 58 6.663 27.887 -10.457 1.00 72.22 N ATOM 963 CA ALA A 58 5.851 26.688 -10.623 1.00 71.34 C ATOM 964 C ALA A 58 4.717 26.926 -11.614 1.00 74.33 C ATOM 965 O ALA A 58 4.282 26.006 -12.308 1.00 25.11 O ATOM 966 CB ALA A 58 5.295 26.236 -9.281 1.00 5.23 C ATOM 0 H ALA A 58 6.605 28.311 -9.531 1.00 72.22 H new ATOM 0 HA ALA A 58 6.489 25.900 -11.023 1.00 71.34 H new ATOM 0 HB1 ALA A 58 4.691 25.340 -9.421 1.00 5.23 H new ATOM 0 HB2 ALA A 58 6.118 26.016 -8.601 1.00 5.23 H new ATOM 0 HB3 ALA A 58 4.677 27.028 -8.858 1.00 5.23 H new ATOM 972 N ARG A 59 4.240 28.165 -11.675 1.00 23.01 N ATOM 973 CA ARG A 59 3.155 28.523 -12.580 1.00 33.12 C ATOM 974 C ARG A 59 3.582 28.354 -14.035 1.00 11.21 C ATOM 975 O ARG A 59 2.754 28.108 -14.912 1.00 52.32 O ATOM 976 CB ARG A 59 2.710 29.965 -12.332 1.00 10.44 C ATOM 977 CG ARG A 59 1.472 30.365 -13.118 1.00 44.13 C ATOM 978 CD ARG A 59 1.273 31.873 -13.115 1.00 60.41 C ATOM 979 NE ARG A 59 -0.131 32.239 -13.283 1.00 45.52 N ATOM 980 CZ ARG A 59 -0.556 33.494 -13.379 1.00 43.33 C ATOM 981 NH1 ARG A 59 0.310 34.497 -13.325 1.00 11.15 N ATOM 982 NH2 ARG A 59 -1.849 33.748 -13.531 1.00 73.00 N ATOM 0 H ARG A 59 4.588 28.938 -11.108 1.00 23.01 H new ATOM 0 HA ARG A 59 2.317 27.853 -12.385 1.00 33.12 H new ATOM 0 HB2 ARG A 59 2.513 30.097 -11.268 1.00 10.44 H new ATOM 0 HB3 ARG A 59 3.527 30.638 -12.591 1.00 10.44 H new ATOM 0 HG2 ARG A 59 1.562 30.011 -14.145 1.00 44.13 H new ATOM 0 HG3 ARG A 59 0.595 29.880 -12.689 1.00 44.13 H new ATOM 0 HD2 ARG A 59 1.646 32.286 -12.178 1.00 60.41 H new ATOM 0 HD3 ARG A 59 1.862 32.318 -13.917 1.00 60.41 H new ATOM 0 HE ARG A 59 -0.822 31.491 -13.329 1.00 45.52 H new ATOM 0 HH11 ARG A 59 1.305 34.306 -13.210 1.00 11.15 H new ATOM 0 HH12 ARG A 59 -0.019 35.460 -13.399 1.00 11.15 H new ATOM 0 HH21 ARG A 59 -2.518 32.979 -13.574 1.00 73.00 H new ATOM 0 HH22 ARG A 59 -2.174 34.712 -13.605 1.00 73.00 H new ATOM 996 N LYS A 60 4.880 28.489 -14.284 1.00 61.43 N ATOM 997 CA LYS A 60 5.419 28.351 -15.632 1.00 60.31 C ATOM 998 C LYS A 60 4.972 27.037 -16.265 1.00 52.02 C ATOM 999 O LYS A 60 4.825 26.942 -17.484 1.00 52.01 O ATOM 1000 CB LYS A 60 6.948 28.420 -15.602 1.00 15.31 C ATOM 1001 CG LYS A 60 7.486 29.681 -14.948 1.00 22.22 C ATOM 1002 CD LYS A 60 7.872 30.725 -15.982 1.00 71.33 C ATOM 1003 CE LYS A 60 7.107 32.023 -15.776 1.00 2.22 C ATOM 1004 NZ LYS A 60 7.110 32.869 -17.001 1.00 51.41 N ATOM 0 H LYS A 60 5.579 28.694 -13.570 1.00 61.43 H new ATOM 0 HA LYS A 60 5.036 29.174 -16.235 1.00 60.31 H new ATOM 0 HB2 LYS A 60 7.332 27.551 -15.068 1.00 15.31 H new ATOM 0 HB3 LYS A 60 7.326 28.360 -16.622 1.00 15.31 H new ATOM 0 HG2 LYS A 60 6.733 30.094 -14.277 1.00 22.22 H new ATOM 0 HG3 LYS A 60 8.355 29.433 -14.338 1.00 22.22 H new ATOM 0 HD2 LYS A 60 8.943 30.919 -15.922 1.00 71.33 H new ATOM 0 HD3 LYS A 60 7.673 30.339 -16.982 1.00 71.33 H new ATOM 0 HE2 LYS A 60 6.079 31.798 -15.493 1.00 2.22 H new ATOM 0 HE3 LYS A 60 7.551 32.579 -14.950 1.00 2.22 H new ATOM 0 HZ1 LYS A 60 6.578 33.744 -16.820 1.00 51.41 H new ATOM 0 HZ2 LYS A 60 8.090 33.106 -17.257 1.00 51.41 H new ATOM 0 HZ3 LYS A 60 6.664 32.349 -17.783 1.00 51.41 H new ATOM 1018 N HIS A 61 4.755 26.026 -15.430 1.00 4.14 N ATOM 1019 CA HIS A 61 4.323 24.718 -15.908 1.00 75.01 C ATOM 1020 C HIS A 61 2.912 24.400 -15.420 1.00 5.14 C ATOM 1021 O HIS A 61 2.526 23.236 -15.324 1.00 14.20 O ATOM 1022 CB HIS A 61 5.293 23.633 -15.440 1.00 44.43 C ATOM 1023 CG HIS A 61 6.647 23.727 -16.075 1.00 32.10 C ATOM 1024 ND1 HIS A 61 7.821 23.571 -15.370 1.00 23.15 N ATOM 1025 CD2 HIS A 61 7.009 23.960 -17.358 1.00 53.23 C ATOM 1026 CE1 HIS A 61 8.847 23.706 -16.191 1.00 20.00 C ATOM 1027 NE2 HIS A 61 8.381 23.942 -17.404 1.00 50.40 N ATOM 0 H HIS A 61 4.871 26.088 -14.419 1.00 4.14 H new ATOM 0 HA HIS A 61 4.316 24.742 -16.998 1.00 75.01 H new ATOM 0 HB2 HIS A 61 5.403 23.698 -14.357 1.00 44.43 H new ATOM 0 HB3 HIS A 61 4.865 22.655 -15.659 1.00 44.43 H new ATOM 0 HD2 HIS A 61 6.342 24.129 -18.191 1.00 53.23 H new ATOM 0 HE1 HIS A 61 9.889 23.635 -15.917 1.00 20.00 H new ATOM 0 HE2 HIS A 61 8.948 24.087 -18.239 1.00 50.40 H new ATOM 1035 N GLY A 62 2.149 25.444 -15.111 1.00 32.12 N ATOM 1036 CA GLY A 62 0.791 25.255 -14.635 1.00 71.41 C ATOM 1037 C GLY A 62 0.714 24.286 -13.472 1.00 32.12 C ATOM 1038 O GLY A 62 0.147 23.199 -13.595 1.00 54.53 O ATOM 0 H GLY A 62 2.447 26.417 -15.182 1.00 32.12 H new ATOM 0 HA2 GLY A 62 0.379 26.217 -14.330 1.00 71.41 H new ATOM 0 HA3 GLY A 62 0.171 24.887 -15.452 1.00 71.41 H new ATOM 1042 N LEU A 63 1.287 24.677 -12.339 1.00 53.51 N ATOM 1043 CA LEU A 63 1.282 23.835 -11.148 1.00 61.12 C ATOM 1044 C LEU A 63 0.455 24.470 -10.035 1.00 72.21 C ATOM 1045 O LEU A 63 0.055 23.798 -9.084 1.00 3.32 O ATOM 1046 CB LEU A 63 2.713 23.596 -10.663 1.00 31.10 C ATOM 1047 CG LEU A 63 2.859 23.085 -9.229 1.00 50.31 C ATOM 1048 CD1 LEU A 63 4.046 22.142 -9.117 1.00 22.42 C ATOM 1049 CD2 LEU A 63 3.008 24.250 -8.261 1.00 35.22 C ATOM 0 H LEU A 63 1.761 25.572 -12.220 1.00 53.51 H new ATOM 0 HA LEU A 63 0.829 22.879 -11.411 1.00 61.12 H new ATOM 0 HB2 LEU A 63 3.187 22.879 -11.333 1.00 31.10 H new ATOM 0 HB3 LEU A 63 3.267 24.531 -10.753 1.00 31.10 H new ATOM 0 HG LEU A 63 1.957 22.533 -8.966 1.00 50.31 H new ATOM 0 HD11 LEU A 63 4.134 21.789 -8.090 1.00 22.42 H new ATOM 0 HD12 LEU A 63 3.899 21.291 -9.782 1.00 22.42 H new ATOM 0 HD13 LEU A 63 4.957 22.669 -9.399 1.00 22.42 H new ATOM 0 HD21 LEU A 63 3.111 23.868 -7.245 1.00 35.22 H new ATOM 0 HD22 LEU A 63 3.894 24.829 -8.522 1.00 35.22 H new ATOM 0 HD23 LEU A 63 2.126 24.888 -8.321 1.00 35.22 H new ATOM 1061 N VAL A 64 0.199 25.768 -10.162 1.00 3.24 N ATOM 1062 CA VAL A 64 -0.583 26.494 -9.168 1.00 74.33 C ATOM 1063 C VAL A 64 -1.920 26.945 -9.745 1.00 54.41 C ATOM 1064 O VAL A 64 -1.967 27.744 -10.681 1.00 42.23 O ATOM 1065 CB VAL A 64 0.179 27.725 -8.643 1.00 32.31 C ATOM 1066 CG1 VAL A 64 1.246 27.306 -7.643 1.00 72.42 C ATOM 1067 CG2 VAL A 64 0.793 28.503 -9.797 1.00 25.44 C ATOM 0 H VAL A 64 0.522 26.339 -10.943 1.00 3.24 H new ATOM 0 HA VAL A 64 -0.760 25.807 -8.341 1.00 74.33 H new ATOM 0 HB VAL A 64 -0.528 28.378 -8.131 1.00 32.31 H new ATOM 0 HG11 VAL A 64 1.774 28.189 -7.283 1.00 72.42 H new ATOM 0 HG12 VAL A 64 0.776 26.796 -6.802 1.00 72.42 H new ATOM 0 HG13 VAL A 64 1.953 26.632 -8.127 1.00 72.42 H new ATOM 0 HG21 VAL A 64 1.328 29.370 -9.408 1.00 25.44 H new ATOM 0 HG22 VAL A 64 1.488 27.862 -10.339 1.00 25.44 H new ATOM 0 HG23 VAL A 64 0.004 28.836 -10.472 1.00 25.44 H new ATOM 1077 N HIS A 65 -3.007 26.429 -9.180 1.00 52.40 N ATOM 1078 CA HIS A 65 -4.347 26.781 -9.638 1.00 21.45 C ATOM 1079 C HIS A 65 -4.812 28.089 -9.004 1.00 64.35 C ATOM 1080 O HIS A 65 -5.931 28.542 -9.242 1.00 75.12 O ATOM 1081 CB HIS A 65 -5.333 25.661 -9.304 1.00 23.41 C ATOM 1082 CG HIS A 65 -6.451 25.532 -10.292 1.00 43.52 C ATOM 1083 ND1 HIS A 65 -7.241 24.407 -10.393 1.00 12.13 N ATOM 1084 CD2 HIS A 65 -6.910 26.398 -11.226 1.00 70.34 C ATOM 1085 CE1 HIS A 65 -8.137 24.585 -11.347 1.00 72.10 C ATOM 1086 NE2 HIS A 65 -7.958 25.785 -11.868 1.00 50.15 N ATOM 0 H HIS A 65 -2.987 25.766 -8.405 1.00 52.40 H new ATOM 0 HA HIS A 65 -4.311 26.914 -10.719 1.00 21.45 H new ATOM 0 HB2 HIS A 65 -4.793 24.716 -9.254 1.00 23.41 H new ATOM 0 HB3 HIS A 65 -5.753 25.841 -8.314 1.00 23.41 H new ATOM 0 HD2 HIS A 65 -6.524 27.386 -11.428 1.00 70.34 H new ATOM 0 HE1 HIS A 65 -8.888 23.871 -11.649 1.00 72.10 H new ATOM 0 HE2 HIS A 65 -8.509 26.191 -12.625 1.00 50.15 H new ATOM 1094 N PHE A 66 -3.945 28.691 -8.197 1.00 65.51 N ATOM 1095 CA PHE A 66 -4.267 29.946 -7.528 1.00 62.32 C ATOM 1096 C PHE A 66 -4.766 30.983 -8.530 1.00 3.12 C ATOM 1097 O PHE A 66 -4.541 30.857 -9.733 1.00 2.11 O ATOM 1098 CB PHE A 66 -3.040 30.483 -6.788 1.00 52.32 C ATOM 1099 CG PHE A 66 -2.086 31.231 -7.674 1.00 45.14 C ATOM 1100 CD1 PHE A 66 -1.576 30.641 -8.820 1.00 2.12 C ATOM 1101 CD2 PHE A 66 -1.697 32.524 -7.362 1.00 33.12 C ATOM 1102 CE1 PHE A 66 -0.697 31.327 -9.638 1.00 34.53 C ATOM 1103 CE2 PHE A 66 -0.820 33.214 -8.176 1.00 44.40 C ATOM 1104 CZ PHE A 66 -0.318 32.615 -9.315 1.00 31.43 C ATOM 0 H PHE A 66 -3.014 28.330 -7.990 1.00 65.51 H new ATOM 0 HA PHE A 66 -5.061 29.752 -6.807 1.00 62.32 H new ATOM 0 HB2 PHE A 66 -3.370 31.142 -5.985 1.00 52.32 H new ATOM 0 HB3 PHE A 66 -2.513 29.650 -6.322 1.00 52.32 H new ATOM 0 HD1 PHE A 66 -1.869 29.634 -9.077 1.00 2.12 H new ATOM 0 HD2 PHE A 66 -2.084 32.998 -6.472 1.00 33.12 H new ATOM 0 HE1 PHE A 66 -0.307 30.856 -10.528 1.00 34.53 H new ATOM 0 HE2 PHE A 66 -0.527 34.222 -7.922 1.00 44.40 H new ATOM 0 HZ PHE A 66 0.369 33.153 -9.951 1.00 31.43 H new ATOM 1114 N GLU A 67 -5.445 32.008 -8.023 1.00 24.40 N ATOM 1115 CA GLU A 67 -5.977 33.066 -8.873 1.00 63.02 C ATOM 1116 C GLU A 67 -5.276 34.392 -8.594 1.00 12.55 C ATOM 1117 O GLU A 67 -4.688 34.584 -7.530 1.00 14.40 O ATOM 1118 CB GLU A 67 -7.484 33.217 -8.655 1.00 63.42 C ATOM 1119 CG GLU A 67 -7.867 33.469 -7.207 1.00 1.22 C ATOM 1120 CD GLU A 67 -8.833 34.628 -7.052 1.00 61.24 C ATOM 1121 OE1 GLU A 67 -8.386 35.790 -7.143 1.00 4.11 O ATOM 1122 OE2 GLU A 67 -10.037 34.371 -6.841 1.00 41.52 O ATOM 0 H GLU A 67 -5.639 32.127 -7.029 1.00 24.40 H new ATOM 0 HA GLU A 67 -5.794 32.789 -9.911 1.00 63.02 H new ATOM 0 HB2 GLU A 67 -7.850 34.041 -9.268 1.00 63.42 H new ATOM 0 HB3 GLU A 67 -7.985 32.314 -9.003 1.00 63.42 H new ATOM 0 HG2 GLU A 67 -8.318 32.567 -6.792 1.00 1.22 H new ATOM 0 HG3 GLU A 67 -6.967 33.671 -6.627 1.00 1.22 H new ATOM 1129 N GLY A 68 -5.343 35.306 -9.558 1.00 33.51 N ATOM 1130 CA GLY A 68 -4.711 36.602 -9.397 1.00 73.02 C ATOM 1131 C GLY A 68 -3.238 36.576 -9.751 1.00 44.43 C ATOM 1132 O GLY A 68 -2.620 35.513 -9.786 1.00 20.31 O ATOM 0 H GLY A 68 -5.824 35.171 -10.447 1.00 33.51 H new ATOM 0 HA2 GLY A 68 -5.220 37.332 -10.027 1.00 73.02 H new ATOM 0 HA3 GLY A 68 -4.828 36.934 -8.365 1.00 73.02 H new ATOM 1136 N GLU A 69 -2.674 37.751 -10.017 1.00 23.34 N ATOM 1137 CA GLU A 69 -1.264 37.857 -10.372 1.00 43.25 C ATOM 1138 C GLU A 69 -0.383 37.805 -9.127 1.00 62.45 C ATOM 1139 O GLU A 69 0.824 37.584 -9.218 1.00 25.14 O ATOM 1140 CB GLU A 69 -1.005 39.156 -11.139 1.00 60.11 C ATOM 1141 CG GLU A 69 -1.969 39.385 -12.291 1.00 64.24 C ATOM 1142 CD GLU A 69 -1.359 40.213 -13.406 1.00 11.02 C ATOM 1143 OE1 GLU A 69 -0.557 39.660 -14.187 1.00 34.52 O ATOM 1144 OE2 GLU A 69 -1.685 41.415 -13.497 1.00 3.44 O ATOM 0 H GLU A 69 -3.172 38.641 -9.993 1.00 23.34 H new ATOM 0 HA GLU A 69 -1.012 37.010 -11.010 1.00 43.25 H new ATOM 0 HB2 GLU A 69 -1.072 39.996 -10.448 1.00 60.11 H new ATOM 0 HB3 GLU A 69 0.014 39.143 -11.526 1.00 60.11 H new ATOM 0 HG2 GLU A 69 -2.287 38.422 -12.691 1.00 64.24 H new ATOM 0 HG3 GLU A 69 -2.862 39.886 -11.918 1.00 64.24 H new ATOM 1151 N MET A 70 -0.996 38.010 -7.967 1.00 35.54 N ATOM 1152 CA MET A 70 -0.269 37.985 -6.703 1.00 63.11 C ATOM 1153 C MET A 70 -1.226 37.817 -5.527 1.00 50.15 C ATOM 1154 O MET A 70 -2.443 37.922 -5.685 1.00 52.00 O ATOM 1155 CB MET A 70 0.545 39.269 -6.534 1.00 4.12 C ATOM 1156 CG MET A 70 -0.263 40.536 -6.763 1.00 31.22 C ATOM 1157 SD MET A 70 0.394 41.546 -8.104 1.00 1.34 S ATOM 1158 CE MET A 70 1.750 42.371 -7.273 1.00 31.10 C ATOM 0 H MET A 70 -1.995 38.195 -7.875 1.00 35.54 H new ATOM 0 HA MET A 70 0.409 37.132 -6.720 1.00 63.11 H new ATOM 0 HB2 MET A 70 0.966 39.293 -5.529 1.00 4.12 H new ATOM 0 HB3 MET A 70 1.384 39.252 -7.230 1.00 4.12 H new ATOM 0 HG2 MET A 70 -1.295 40.268 -6.987 1.00 31.22 H new ATOM 0 HG3 MET A 70 -0.278 41.123 -5.845 1.00 31.22 H new ATOM 0 HE1 MET A 70 2.459 42.742 -8.013 1.00 31.10 H new ATOM 0 HE2 MET A 70 1.364 43.207 -6.689 1.00 31.10 H new ATOM 0 HE3 MET A 70 2.253 41.667 -6.610 1.00 31.10 H new ATOM 1168 N LEU A 71 -0.670 37.556 -4.350 1.00 25.11 N ATOM 1169 CA LEU A 71 -1.474 37.373 -3.147 1.00 14.31 C ATOM 1170 C LEU A 71 -0.976 38.268 -2.017 1.00 4.30 C ATOM 1171 O LEU A 71 0.184 38.186 -1.613 1.00 23.22 O ATOM 1172 CB LEU A 71 -1.442 35.909 -2.705 1.00 51.13 C ATOM 1173 CG LEU A 71 -1.698 34.872 -3.800 1.00 12.24 C ATOM 1174 CD1 LEU A 71 -1.875 33.489 -3.193 1.00 61.22 C ATOM 1175 CD2 LEU A 71 -2.919 35.256 -4.623 1.00 34.25 C ATOM 0 H LEU A 71 0.335 37.466 -4.203 1.00 25.11 H new ATOM 0 HA LEU A 71 -2.501 37.653 -3.381 1.00 14.31 H new ATOM 0 HB2 LEU A 71 -0.468 35.706 -2.260 1.00 51.13 H new ATOM 0 HB3 LEU A 71 -2.186 35.771 -1.920 1.00 51.13 H new ATOM 0 HG LEU A 71 -0.832 34.848 -4.462 1.00 12.24 H new ATOM 0 HD11 LEU A 71 -2.056 32.764 -3.986 1.00 61.22 H new ATOM 0 HD12 LEU A 71 -0.972 33.213 -2.648 1.00 61.22 H new ATOM 0 HD13 LEU A 71 -2.723 33.498 -2.509 1.00 61.22 H new ATOM 0 HD21 LEU A 71 -3.086 34.507 -5.397 1.00 34.25 H new ATOM 0 HD22 LEU A 71 -3.793 35.309 -3.974 1.00 34.25 H new ATOM 0 HD23 LEU A 71 -2.753 36.228 -5.088 1.00 34.25 H new ATOM 1187 N TRP A 72 -1.859 39.120 -1.511 1.00 13.44 N ATOM 1188 CA TRP A 72 -1.509 40.029 -0.425 1.00 41.40 C ATOM 1189 C TRP A 72 -1.869 39.426 0.928 1.00 24.40 C ATOM 1190 O TRP A 72 -3.004 39.003 1.146 1.00 4.12 O ATOM 1191 CB TRP A 72 -2.222 41.370 -0.605 1.00 14.41 C ATOM 1192 CG TRP A 72 -1.730 42.151 -1.786 1.00 12.45 C ATOM 1193 CD1 TRP A 72 -2.488 42.686 -2.788 1.00 41.02 C ATOM 1194 CD2 TRP A 72 -0.370 42.483 -2.087 1.00 15.52 C ATOM 1195 NE1 TRP A 72 -1.681 43.330 -3.695 1.00 0.43 N ATOM 1196 CE2 TRP A 72 -0.378 43.221 -3.287 1.00 1.43 C ATOM 1197 CE3 TRP A 72 0.852 42.231 -1.459 1.00 2.30 C ATOM 1198 CZ2 TRP A 72 0.790 43.707 -3.869 1.00 70.30 C ATOM 1199 CZ3 TRP A 72 2.010 42.713 -2.038 1.00 44.34 C ATOM 1200 CH2 TRP A 72 1.973 43.445 -3.233 1.00 31.21 C ATOM 0 H TRP A 72 -2.823 39.201 -1.835 1.00 13.44 H new ATOM 0 HA TRP A 72 -0.432 40.191 -0.454 1.00 41.40 H new ATOM 0 HB2 TRP A 72 -3.292 41.192 -0.716 1.00 14.41 H new ATOM 0 HB3 TRP A 72 -2.090 41.967 0.297 1.00 14.41 H new ATOM 0 HD1 TRP A 72 -3.563 42.614 -2.857 1.00 41.02 H new ATOM 0 HE1 TRP A 72 -2.001 43.811 -4.536 1.00 0.43 H new ATOM 0 HE3 TRP A 72 0.891 41.669 -0.537 1.00 2.30 H new ATOM 0 HZ2 TRP A 72 0.763 44.271 -4.790 1.00 70.30 H new ATOM 0 HZ3 TRP A 72 2.960 42.523 -1.562 1.00 44.34 H new ATOM 0 HH2 TRP A 72 2.896 43.809 -3.660 1.00 31.21 H new ATOM 1211 N GLN A 73 -0.895 39.389 1.832 1.00 33.24 N ATOM 1212 CA GLN A 73 -1.111 38.836 3.164 1.00 31.31 C ATOM 1213 C GLN A 73 -2.321 39.481 3.832 1.00 2.21 C ATOM 1214 O GLN A 73 -2.441 40.705 3.871 1.00 35.23 O ATOM 1215 CB GLN A 73 0.133 39.037 4.031 1.00 40.41 C ATOM 1216 CG GLN A 73 0.159 38.159 5.272 1.00 51.34 C ATOM 1217 CD GLN A 73 -0.122 38.936 6.543 1.00 53.35 C ATOM 1218 OE1 GLN A 73 0.391 40.039 6.736 1.00 21.44 O ATOM 1219 NE2 GLN A 73 -0.942 38.365 7.417 1.00 22.41 N ATOM 0 H GLN A 73 0.050 39.735 1.667 1.00 33.24 H new ATOM 0 HA GLN A 73 -1.303 37.768 3.059 1.00 31.31 H new ATOM 0 HB2 GLN A 73 1.020 38.831 3.432 1.00 40.41 H new ATOM 0 HB3 GLN A 73 0.189 40.082 4.335 1.00 40.41 H new ATOM 0 HG2 GLN A 73 -0.580 37.364 5.166 1.00 51.34 H new ATOM 0 HG3 GLN A 73 1.134 37.679 5.352 1.00 51.34 H new ATOM 0 HE21 GLN A 73 -1.345 37.450 7.216 1.00 22.41 H new ATOM 0 HE22 GLN A 73 -1.170 38.842 8.290 1.00 22.41 H new ATOM 1228 N GLY A 74 -3.215 38.649 4.357 1.00 74.13 N ATOM 1229 CA GLY A 74 -4.404 39.157 5.016 1.00 54.15 C ATOM 1230 C GLY A 74 -5.500 39.522 4.034 1.00 72.22 C ATOM 1231 O GLY A 74 -6.590 39.933 4.432 1.00 10.23 O ATOM 0 H GLY A 74 -3.137 37.632 4.338 1.00 74.13 H new ATOM 0 HA2 GLY A 74 -4.779 38.406 5.712 1.00 54.15 H new ATOM 0 HA3 GLY A 74 -4.142 40.035 5.606 1.00 54.15 H new ATOM 1235 N LYS A 75 -5.212 39.373 2.745 1.00 24.14 N ATOM 1236 CA LYS A 75 -6.180 39.690 1.702 1.00 20.43 C ATOM 1237 C LYS A 75 -6.450 38.473 0.823 1.00 70.10 C ATOM 1238 O LYS A 75 -7.597 38.058 0.656 1.00 31.14 O ATOM 1239 CB LYS A 75 -5.674 40.851 0.843 1.00 22.44 C ATOM 1240 CG LYS A 75 -5.098 42.000 1.652 1.00 14.15 C ATOM 1241 CD LYS A 75 -6.167 42.683 2.489 1.00 13.11 C ATOM 1242 CE LYS A 75 -5.621 43.916 3.193 1.00 51.03 C ATOM 1243 NZ LYS A 75 -6.142 44.038 4.583 1.00 63.34 N ATOM 0 H LYS A 75 -4.315 39.034 2.398 1.00 24.14 H new ATOM 0 HA LYS A 75 -7.113 39.983 2.184 1.00 20.43 H new ATOM 0 HB2 LYS A 75 -4.910 40.480 0.159 1.00 22.44 H new ATOM 0 HB3 LYS A 75 -6.495 41.224 0.231 1.00 22.44 H new ATOM 0 HG2 LYS A 75 -4.307 41.627 2.303 1.00 14.15 H new ATOM 0 HG3 LYS A 75 -4.641 42.727 0.980 1.00 14.15 H new ATOM 0 HD2 LYS A 75 -7.003 42.968 1.851 1.00 13.11 H new ATOM 0 HD3 LYS A 75 -6.554 41.982 3.229 1.00 13.11 H new ATOM 0 HE2 LYS A 75 -4.532 43.869 3.216 1.00 51.03 H new ATOM 0 HE3 LYS A 75 -5.889 44.807 2.625 1.00 51.03 H new ATOM 0 HZ1 LYS A 75 -5.746 44.891 5.028 1.00 63.34 H new ATOM 0 HZ2 LYS A 75 -7.179 44.109 4.560 1.00 63.34 H new ATOM 0 HZ3 LYS A 75 -5.864 43.200 5.133 1.00 63.34 H new ATOM 1257 N ASP A 76 -5.387 37.905 0.264 1.00 11.01 N ATOM 1258 CA ASP A 76 -5.510 36.734 -0.596 1.00 65.22 C ATOM 1259 C ASP A 76 -5.222 35.454 0.184 1.00 52.55 C ATOM 1260 O ASP A 76 -5.014 34.392 -0.403 1.00 5.23 O ATOM 1261 CB ASP A 76 -4.555 36.846 -1.786 1.00 3.33 C ATOM 1262 CG ASP A 76 -5.224 37.437 -3.011 1.00 63.13 C ATOM 1263 OD1 ASP A 76 -5.974 36.704 -3.689 1.00 23.44 O ATOM 1264 OD2 ASP A 76 -4.997 38.632 -3.294 1.00 4.24 O ATOM 0 H ASP A 76 -4.431 38.237 0.391 1.00 11.01 H new ATOM 0 HA ASP A 76 -6.535 36.691 -0.965 1.00 65.22 H new ATOM 0 HB2 ASP A 76 -3.702 37.465 -1.507 1.00 3.33 H new ATOM 0 HB3 ASP A 76 -4.165 35.858 -2.030 1.00 3.33 H new ATOM 1269 N ASP A 77 -5.212 35.564 1.507 1.00 1.33 N ATOM 1270 CA ASP A 77 -4.950 34.416 2.368 1.00 51.42 C ATOM 1271 C ASP A 77 -5.934 33.287 2.081 1.00 32.31 C ATOM 1272 O ASP A 77 -5.633 32.114 2.308 1.00 40.32 O ATOM 1273 CB ASP A 77 -5.037 34.825 3.839 1.00 34.42 C ATOM 1274 CG ASP A 77 -3.673 35.051 4.459 1.00 3.12 C ATOM 1275 OD1 ASP A 77 -2.827 35.701 3.810 1.00 70.01 O ATOM 1276 OD2 ASP A 77 -3.450 34.578 5.593 1.00 21.24 O ATOM 0 H ASP A 77 -5.382 36.436 2.007 1.00 1.33 H new ATOM 0 HA ASP A 77 -3.942 34.057 2.158 1.00 51.42 H new ATOM 0 HB2 ASP A 77 -5.627 35.737 3.925 1.00 34.42 H new ATOM 0 HB3 ASP A 77 -5.563 34.051 4.398 1.00 34.42 H new ATOM 1281 N HIS A 78 -7.112 33.647 1.582 1.00 15.34 N ATOM 1282 CA HIS A 78 -8.142 32.664 1.265 1.00 22.32 C ATOM 1283 C HIS A 78 -7.738 31.826 0.055 1.00 14.14 C ATOM 1284 O HIS A 78 -8.238 30.718 -0.140 1.00 11.11 O ATOM 1285 CB HIS A 78 -9.476 33.360 0.996 1.00 34.42 C ATOM 1286 CG HIS A 78 -9.445 34.278 -0.186 1.00 53.05 C ATOM 1287 ND1 HIS A 78 -9.325 35.647 -0.073 1.00 61.03 N ATOM 1288 CD2 HIS A 78 -9.518 34.017 -1.513 1.00 31.44 C ATOM 1289 CE1 HIS A 78 -9.327 36.188 -1.278 1.00 43.05 C ATOM 1290 NE2 HIS A 78 -9.442 35.220 -2.170 1.00 13.04 N ATOM 0 H HIS A 78 -7.377 34.613 1.388 1.00 15.34 H new ATOM 0 HA HIS A 78 -8.254 32.001 2.123 1.00 22.32 H new ATOM 0 HB2 HIS A 78 -10.245 32.604 0.838 1.00 34.42 H new ATOM 0 HB3 HIS A 78 -9.764 33.929 1.880 1.00 34.42 H new ATOM 0 HD2 HIS A 78 -9.618 33.043 -1.970 1.00 31.44 H new ATOM 0 HE1 HIS A 78 -9.248 37.243 -1.497 1.00 43.05 H new ATOM 0 HE2 HIS A 78 -9.470 35.346 -3.182 1.00 13.04 H new ATOM 1298 N VAL A 79 -6.832 32.363 -0.755 1.00 3.44 N ATOM 1299 CA VAL A 79 -6.361 31.666 -1.945 1.00 61.41 C ATOM 1300 C VAL A 79 -5.810 30.288 -1.593 1.00 51.31 C ATOM 1301 O VAL A 79 -4.802 30.170 -0.897 1.00 4.40 O ATOM 1302 CB VAL A 79 -5.269 32.472 -2.674 1.00 15.04 C ATOM 1303 CG1 VAL A 79 -4.732 31.691 -3.863 1.00 73.30 C ATOM 1304 CG2 VAL A 79 -5.811 33.824 -3.114 1.00 21.22 C ATOM 0 H VAL A 79 -6.409 33.280 -0.608 1.00 3.44 H new ATOM 0 HA VAL A 79 -7.221 31.553 -2.606 1.00 61.41 H new ATOM 0 HB VAL A 79 -4.445 32.644 -1.982 1.00 15.04 H new ATOM 0 HG11 VAL A 79 -3.962 32.277 -4.365 1.00 73.30 H new ATOM 0 HG12 VAL A 79 -4.305 30.750 -3.517 1.00 73.30 H new ATOM 0 HG13 VAL A 79 -5.544 31.486 -4.560 1.00 73.30 H new ATOM 0 HG21 VAL A 79 -5.027 34.381 -3.627 1.00 21.22 H new ATOM 0 HG22 VAL A 79 -6.653 33.676 -3.790 1.00 21.22 H new ATOM 0 HG23 VAL A 79 -6.142 34.385 -2.240 1.00 21.22 H new ATOM 1314 N VAL A 80 -6.479 29.247 -2.079 1.00 40.52 N ATOM 1315 CA VAL A 80 -6.056 27.877 -1.818 1.00 22.04 C ATOM 1316 C VAL A 80 -5.130 27.368 -2.917 1.00 10.31 C ATOM 1317 O VAL A 80 -5.536 27.236 -4.072 1.00 21.41 O ATOM 1318 CB VAL A 80 -7.264 26.929 -1.700 1.00 12.30 C ATOM 1319 CG1 VAL A 80 -6.800 25.489 -1.543 1.00 54.12 C ATOM 1320 CG2 VAL A 80 -8.153 27.342 -0.536 1.00 62.51 C ATOM 0 H VAL A 80 -7.316 29.327 -2.656 1.00 40.52 H new ATOM 0 HA VAL A 80 -5.518 27.888 -0.870 1.00 22.04 H new ATOM 0 HB VAL A 80 -7.849 26.998 -2.617 1.00 12.30 H new ATOM 0 HG11 VAL A 80 -7.667 24.834 -1.461 1.00 54.12 H new ATOM 0 HG12 VAL A 80 -6.208 25.201 -2.412 1.00 54.12 H new ATOM 0 HG13 VAL A 80 -6.191 25.399 -0.643 1.00 54.12 H new ATOM 0 HG21 VAL A 80 -9.002 26.662 -0.467 1.00 62.51 H new ATOM 0 HG22 VAL A 80 -7.581 27.303 0.391 1.00 62.51 H new ATOM 0 HG23 VAL A 80 -8.514 28.358 -0.697 1.00 62.51 H new ATOM 1330 N ILE A 81 -3.885 27.085 -2.550 1.00 21.31 N ATOM 1331 CA ILE A 81 -2.902 26.589 -3.505 1.00 23.21 C ATOM 1332 C ILE A 81 -2.867 25.064 -3.517 1.00 13.41 C ATOM 1333 O ILE A 81 -2.406 24.435 -2.565 1.00 24.45 O ATOM 1334 CB ILE A 81 -1.491 27.121 -3.188 1.00 74.53 C ATOM 1335 CG1 ILE A 81 -1.485 28.651 -3.199 1.00 71.51 C ATOM 1336 CG2 ILE A 81 -0.483 26.574 -4.188 1.00 3.14 C ATOM 1337 CD1 ILE A 81 -1.745 29.265 -1.842 1.00 14.51 C ATOM 0 H ILE A 81 -3.533 27.191 -1.598 1.00 21.31 H new ATOM 0 HA ILE A 81 -3.206 26.951 -4.487 1.00 23.21 H new ATOM 0 HB ILE A 81 -1.206 26.783 -2.192 1.00 74.53 H new ATOM 0 HG12 ILE A 81 -0.521 29.000 -3.568 1.00 71.51 H new ATOM 0 HG13 ILE A 81 -2.241 29.004 -3.900 1.00 71.51 H new ATOM 0 HG21 ILE A 81 0.509 26.958 -3.952 1.00 3.14 H new ATOM 0 HG22 ILE A 81 -0.472 25.485 -4.136 1.00 3.14 H new ATOM 0 HG23 ILE A 81 -0.763 26.886 -5.194 1.00 3.14 H new ATOM 0 HD11 ILE A 81 -1.726 30.352 -1.925 1.00 14.51 H new ATOM 0 HD12 ILE A 81 -2.722 28.945 -1.479 1.00 14.51 H new ATOM 0 HD13 ILE A 81 -0.974 28.941 -1.142 1.00 14.51 H new ATOM 1349 N THR A 82 -3.358 24.475 -4.603 1.00 44.22 N ATOM 1350 CA THR A 82 -3.383 23.024 -4.740 1.00 44.55 C ATOM 1351 C THR A 82 -2.319 22.547 -5.723 1.00 33.33 C ATOM 1352 O THR A 82 -2.412 22.799 -6.925 1.00 20.41 O ATOM 1353 CB THR A 82 -4.762 22.529 -5.214 1.00 32.35 C ATOM 1354 OG1 THR A 82 -4.687 21.146 -5.578 1.00 33.13 O ATOM 1355 CG2 THR A 82 -5.253 23.345 -6.400 1.00 20.13 C ATOM 0 H THR A 82 -3.744 24.981 -5.400 1.00 44.22 H new ATOM 0 HA THR A 82 -3.175 22.609 -3.754 1.00 44.55 H new ATOM 0 HB THR A 82 -5.469 22.651 -4.393 1.00 32.35 H new ATOM 0 HG1 THR A 82 -5.568 20.838 -5.877 1.00 33.13 H new ATOM 0 HG21 THR A 82 -6.229 22.976 -6.716 1.00 20.13 H new ATOM 0 HG22 THR A 82 -5.337 24.393 -6.111 1.00 20.13 H new ATOM 0 HG23 THR A 82 -4.545 23.252 -7.224 1.00 20.13 H new ATOM 1363 N LEU A 83 -1.310 21.856 -5.205 1.00 20.33 N ATOM 1364 CA LEU A 83 -0.228 21.341 -6.037 1.00 51.22 C ATOM 1365 C LEU A 83 -0.780 20.613 -7.258 1.00 61.34 C ATOM 1366 O LEU A 83 -1.280 19.492 -7.153 1.00 11.03 O ATOM 1367 CB LEU A 83 0.662 20.398 -5.226 1.00 0.23 C ATOM 1368 CG LEU A 83 2.163 20.484 -5.506 1.00 53.53 C ATOM 1369 CD1 LEU A 83 2.694 21.865 -5.152 1.00 35.23 C ATOM 1370 CD2 LEU A 83 2.912 19.408 -4.734 1.00 42.35 C ATOM 0 H LEU A 83 -1.218 21.639 -4.213 1.00 20.33 H new ATOM 0 HA LEU A 83 0.368 22.187 -6.379 1.00 51.22 H new ATOM 0 HB2 LEU A 83 0.498 20.598 -4.167 1.00 0.23 H new ATOM 0 HB3 LEU A 83 0.336 19.374 -5.411 1.00 0.23 H new ATOM 0 HG LEU A 83 2.325 20.318 -6.571 1.00 53.53 H new ATOM 0 HD11 LEU A 83 3.764 21.907 -5.358 1.00 35.23 H new ATOM 0 HD12 LEU A 83 2.179 22.617 -5.750 1.00 35.23 H new ATOM 0 HD13 LEU A 83 2.520 22.061 -4.094 1.00 35.23 H new ATOM 0 HD21 LEU A 83 3.979 19.484 -4.945 1.00 42.35 H new ATOM 0 HD22 LEU A 83 2.743 19.543 -3.666 1.00 42.35 H new ATOM 0 HD23 LEU A 83 2.551 18.425 -5.037 1.00 42.35 H new ATOM 1382 N LEU A 84 -0.684 21.255 -8.417 1.00 62.12 N ATOM 1383 CA LEU A 84 -1.171 20.667 -9.660 1.00 53.44 C ATOM 1384 C LEU A 84 -0.057 19.915 -10.381 1.00 1.31 C ATOM 1385 O LEU A 84 0.613 20.467 -11.253 1.00 71.34 O ATOM 1386 CB LEU A 84 -1.741 21.755 -10.573 1.00 2.13 C ATOM 1387 CG LEU A 84 -3.022 22.435 -10.088 1.00 61.21 C ATOM 1388 CD1 LEU A 84 -3.528 23.423 -11.128 1.00 31.34 C ATOM 1389 CD2 LEU A 84 -4.089 21.397 -9.771 1.00 51.25 C ATOM 0 H LEU A 84 -0.273 22.183 -8.522 1.00 62.12 H new ATOM 0 HA LEU A 84 -1.961 19.958 -9.412 1.00 53.44 H new ATOM 0 HB2 LEU A 84 -0.978 22.520 -10.713 1.00 2.13 H new ATOM 0 HB3 LEU A 84 -1.935 21.315 -11.551 1.00 2.13 H new ATOM 0 HG LEU A 84 -2.796 22.985 -9.174 1.00 61.21 H new ATOM 0 HD11 LEU A 84 -4.440 23.897 -10.766 1.00 31.34 H new ATOM 0 HD12 LEU A 84 -2.769 24.185 -11.306 1.00 31.34 H new ATOM 0 HD13 LEU A 84 -3.738 22.896 -12.059 1.00 31.34 H new ATOM 0 HD21 LEU A 84 -4.994 21.898 -9.427 1.00 51.25 H new ATOM 0 HD22 LEU A 84 -4.313 20.819 -10.668 1.00 51.25 H new ATOM 0 HD23 LEU A 84 -3.726 20.729 -8.990 1.00 51.25 H new ATOM 1401 N GLU A 85 0.134 18.653 -10.011 1.00 34.24 N ATOM 1402 CA GLU A 85 1.166 17.825 -10.623 1.00 41.33 C ATOM 1403 C GLU A 85 0.609 16.458 -11.010 1.00 42.22 C ATOM 1404 O GLU A 85 0.160 16.257 -12.138 1.00 32.02 O ATOM 1405 CB GLU A 85 2.348 17.655 -9.667 1.00 63.40 C ATOM 1406 CG GLU A 85 3.203 18.903 -9.527 1.00 61.00 C ATOM 1407 CD GLU A 85 4.594 18.602 -9.003 1.00 32.02 C ATOM 1408 OE1 GLU A 85 4.759 18.534 -7.767 1.00 3.33 O ATOM 1409 OE2 GLU A 85 5.516 18.435 -9.828 1.00 21.44 O ATOM 0 H GLU A 85 -0.413 18.182 -9.290 1.00 34.24 H new ATOM 0 HA GLU A 85 1.509 18.327 -11.528 1.00 41.33 H new ATOM 0 HB2 GLU A 85 1.971 17.371 -8.684 1.00 63.40 H new ATOM 0 HB3 GLU A 85 2.973 16.834 -10.018 1.00 63.40 H new ATOM 0 HG2 GLU A 85 3.283 19.395 -10.496 1.00 61.00 H new ATOM 0 HG3 GLU A 85 2.709 19.604 -8.854 1.00 61.00 H new TER 1416 GLU A 85