USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 534 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 TYR OH : rot 180:sc= -0.24 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0863 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.165 USER MOD Single : A 10 LYS NZ :NH3+ 159:sc= -0.0494 (180deg=-0.323) USER MOD Single : A 13 THR OG1 : rot 135:sc= 1.24 USER MOD Single : A 15 GLN : amide:sc= -0.179 K(o=-0.18,f=-4.8!) USER MOD Single : A 17 TYR OH : rot -143:sc= 1.03 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 40:sc= 0.217 USER MOD Single : A 20 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.16) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -154:sc= 0.347 (180deg=0.132) USER MOD Single : A 39 ASN : amide:sc= 0.444 K(o=0.44,f=-7!) USER MOD Single : A 45 TYR OH : rot -39:sc= 0.75 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 163:sc= -0.0587 (180deg=-0.319) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.671 13.163 -12.686 1.00 0.00 N ATOM 2 CA GLY A 1 -8.268 12.040 -11.861 1.00 0.00 C ATOM 3 C GLY A 1 -8.500 12.293 -10.385 1.00 0.00 C ATOM 4 O GLY A 1 -9.216 13.223 -10.012 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.210 12.816 -13.505 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.266 13.808 -12.128 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.826 13.671 -13.017 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.822 11.152 -12.166 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.212 11.830 -12.029 1.00 0.00 H new ATOM 8 N SER A 2 -7.895 11.463 -9.541 1.00 0.00 N ATOM 9 CA SER A 2 -8.044 11.598 -8.097 1.00 0.00 C ATOM 10 C SER A 2 -7.593 12.978 -7.630 1.00 0.00 C ATOM 11 O SER A 2 -7.008 13.744 -8.397 1.00 0.00 O ATOM 12 CB SER A 2 -7.237 10.515 -7.376 1.00 0.00 C ATOM 13 OG SER A 2 -7.984 9.317 -7.255 1.00 0.00 O ATOM 0 H SER A 2 -7.297 10.690 -9.833 1.00 0.00 H new ATOM 0 HA SER A 2 -9.100 11.478 -7.854 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.315 10.319 -7.924 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.950 10.870 -6.386 1.00 0.00 H new ATOM 0 HG SER A 2 -7.446 8.641 -6.793 1.00 0.00 H new ATOM 19 N SER A 3 -7.871 13.290 -6.369 1.00 0.00 N ATOM 20 CA SER A 3 -7.498 14.580 -5.800 1.00 0.00 C ATOM 21 C SER A 3 -7.640 14.566 -4.281 1.00 0.00 C ATOM 22 O SER A 3 -8.268 13.674 -3.713 1.00 0.00 O ATOM 23 CB SER A 3 -8.365 15.693 -6.394 1.00 0.00 C ATOM 24 OG SER A 3 -7.700 16.943 -6.336 1.00 0.00 O ATOM 0 H SER A 3 -8.353 12.667 -5.721 1.00 0.00 H new ATOM 0 HA SER A 3 -6.454 14.770 -6.048 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.609 15.455 -7.429 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.308 15.753 -5.850 1.00 0.00 H new ATOM 0 HG SER A 3 -8.274 17.637 -6.723 1.00 0.00 H new ATOM 30 N GLY A 4 -7.051 15.563 -3.628 1.00 0.00 N ATOM 31 CA GLY A 4 -7.121 15.647 -2.181 1.00 0.00 C ATOM 32 C GLY A 4 -6.415 14.493 -1.498 1.00 0.00 C ATOM 33 O GLY A 4 -7.048 13.512 -1.106 1.00 0.00 O ATOM 0 H GLY A 4 -6.526 16.314 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.676 16.586 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.166 15.664 -1.871 1.00 0.00 H new ATOM 37 N SER A 5 -5.099 14.608 -1.355 1.00 0.00 N ATOM 38 CA SER A 5 -4.304 13.564 -0.719 1.00 0.00 C ATOM 39 C SER A 5 -3.062 14.153 -0.057 1.00 0.00 C ATOM 40 O SER A 5 -2.573 15.209 -0.457 1.00 0.00 O ATOM 41 CB SER A 5 -3.895 12.507 -1.748 1.00 0.00 C ATOM 42 OG SER A 5 -2.913 13.014 -2.636 1.00 0.00 O ATOM 0 H SER A 5 -4.560 15.414 -1.671 1.00 0.00 H new ATOM 0 HA SER A 5 -4.916 13.094 0.051 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.507 11.627 -1.235 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.770 12.187 -2.313 1.00 0.00 H new ATOM 0 HG SER A 5 -2.667 12.320 -3.283 1.00 0.00 H new ATOM 48 N SER A 6 -2.557 13.460 0.960 1.00 0.00 N ATOM 49 CA SER A 6 -1.375 13.916 1.681 1.00 0.00 C ATOM 50 C SER A 6 -0.137 13.141 1.241 1.00 0.00 C ATOM 51 O SER A 6 0.888 13.728 0.898 1.00 0.00 O ATOM 52 CB SER A 6 -1.580 13.759 3.189 1.00 0.00 C ATOM 53 OG SER A 6 -1.784 12.401 3.537 1.00 0.00 O ATOM 0 H SER A 6 -2.948 12.582 1.302 1.00 0.00 H new ATOM 0 HA SER A 6 -1.223 14.970 1.450 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.711 14.147 3.720 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.438 14.352 3.506 1.00 0.00 H new ATOM 0 HG SER A 6 -1.911 12.327 4.506 1.00 0.00 H new ATOM 59 N GLY A 7 -0.242 11.815 1.254 1.00 0.00 N ATOM 60 CA GLY A 7 0.875 10.979 0.855 1.00 0.00 C ATOM 61 C GLY A 7 2.088 11.167 1.746 1.00 0.00 C ATOM 62 O GLY A 7 2.772 12.186 1.666 1.00 0.00 O ATOM 0 H GLY A 7 -1.080 11.306 1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.569 9.933 0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.146 11.208 -0.176 1.00 0.00 H new ATOM 66 N GLU A 8 2.352 10.182 2.598 1.00 0.00 N ATOM 67 CA GLU A 8 3.489 10.244 3.510 1.00 0.00 C ATOM 68 C GLU A 8 4.589 9.281 3.074 1.00 0.00 C ATOM 69 O GLU A 8 5.747 9.670 2.930 1.00 0.00 O ATOM 70 CB GLU A 8 3.045 9.918 4.936 1.00 0.00 C ATOM 71 CG GLU A 8 2.290 11.050 5.613 1.00 0.00 C ATOM 72 CD GLU A 8 1.457 10.575 6.788 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.045 10.073 7.768 1.00 0.00 O ATOM 74 OE2 GLU A 8 0.217 10.706 6.726 1.00 0.00 O ATOM 0 H GLU A 8 1.794 9.331 2.676 1.00 0.00 H new ATOM 0 HA GLU A 8 3.888 11.258 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.412 9.031 4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.923 9.670 5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.001 11.801 5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.640 11.535 4.885 1.00 0.00 H new ATOM 81 N GLU A 9 4.217 8.021 2.866 1.00 0.00 N ATOM 82 CA GLU A 9 5.173 7.002 2.450 1.00 0.00 C ATOM 83 C GLU A 9 4.617 6.176 1.293 1.00 0.00 C ATOM 84 O GLU A 9 3.540 5.588 1.396 1.00 0.00 O ATOM 85 CB GLU A 9 5.521 6.086 3.624 1.00 0.00 C ATOM 86 CG GLU A 9 6.283 6.786 4.737 1.00 0.00 C ATOM 87 CD GLU A 9 6.147 6.080 6.072 1.00 0.00 C ATOM 88 OE1 GLU A 9 5.040 6.113 6.649 1.00 0.00 O ATOM 89 OE2 GLU A 9 7.146 5.494 6.539 1.00 0.00 O ATOM 0 H GLU A 9 3.261 7.682 2.979 1.00 0.00 H new ATOM 0 HA GLU A 9 6.079 7.506 2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.601 5.667 4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.117 5.250 3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.338 6.846 4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.920 7.809 4.833 1.00 0.00 H new ATOM 96 N LYS A 10 5.359 6.137 0.192 1.00 0.00 N ATOM 97 CA LYS A 10 4.944 5.382 -0.984 1.00 0.00 C ATOM 98 C LYS A 10 5.617 4.014 -1.020 1.00 0.00 C ATOM 99 O LYS A 10 6.843 3.916 -1.094 1.00 0.00 O ATOM 100 CB LYS A 10 5.279 6.161 -2.259 1.00 0.00 C ATOM 101 CG LYS A 10 4.184 7.121 -2.691 1.00 0.00 C ATOM 102 CD LYS A 10 4.220 7.372 -4.189 1.00 0.00 C ATOM 103 CE LYS A 10 3.665 8.744 -4.538 1.00 0.00 C ATOM 104 NZ LYS A 10 4.564 9.839 -4.081 1.00 0.00 N ATOM 0 H LYS A 10 6.252 6.620 0.089 1.00 0.00 H new ATOM 0 HA LYS A 10 3.866 5.234 -0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.200 6.722 -2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.471 5.454 -3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.212 6.714 -2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.298 8.066 -2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.246 7.291 -4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.642 6.603 -4.702 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.525 8.815 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.683 8.866 -4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.360 10.704 -4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.406 10.018 -3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.555 9.561 -4.233 1.00 0.00 H new ATOM 118 N TYR A 11 4.809 2.961 -0.969 1.00 0.00 N ATOM 119 CA TYR A 11 5.327 1.598 -0.995 1.00 0.00 C ATOM 120 C TYR A 11 4.977 0.906 -2.309 1.00 0.00 C ATOM 121 O TYR A 11 4.195 1.423 -3.107 1.00 0.00 O ATOM 122 CB TYR A 11 4.768 0.795 0.181 1.00 0.00 C ATOM 123 CG TYR A 11 5.601 0.904 1.438 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.970 2.144 1.945 1.00 0.00 C ATOM 125 CD2 TYR A 11 6.019 -0.233 2.119 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.732 2.249 3.094 1.00 0.00 C ATOM 127 CE2 TYR A 11 6.779 -0.138 3.269 1.00 0.00 C ATOM 128 CZ TYR A 11 7.133 1.105 3.752 1.00 0.00 C ATOM 129 OH TYR A 11 7.892 1.204 4.896 1.00 0.00 O ATOM 0 H TYR A 11 3.793 3.025 -0.909 1.00 0.00 H new ATOM 0 HA TYR A 11 6.413 1.648 -0.910 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.755 1.137 0.395 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.696 -0.254 -0.107 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.656 3.041 1.433 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.745 -1.208 1.743 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.011 3.221 3.474 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.094 -1.032 3.787 1.00 0.00 H new ATOM 0 HH TYR A 11 8.089 0.306 5.236 1.00 0.00 H new ATOM 139 N VAL A 12 5.563 -0.266 -2.527 1.00 0.00 N ATOM 140 CA VAL A 12 5.312 -1.032 -3.743 1.00 0.00 C ATOM 141 C VAL A 12 4.896 -2.461 -3.417 1.00 0.00 C ATOM 142 O VAL A 12 5.336 -3.036 -2.421 1.00 0.00 O ATOM 143 CB VAL A 12 6.557 -1.065 -4.650 1.00 0.00 C ATOM 144 CG1 VAL A 12 7.707 -1.776 -3.954 1.00 0.00 C ATOM 145 CG2 VAL A 12 6.230 -1.736 -5.976 1.00 0.00 C ATOM 0 H VAL A 12 6.215 -0.707 -1.878 1.00 0.00 H new ATOM 0 HA VAL A 12 4.499 -0.533 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 12 6.865 -0.039 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.577 -1.789 -4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.956 -1.250 -3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.414 -2.799 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.120 -1.751 -6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.896 -2.758 -5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.439 -1.180 -6.480 1.00 0.00 H new ATOM 155 N THR A 13 4.044 -3.031 -4.264 1.00 0.00 N ATOM 156 CA THR A 13 3.566 -4.394 -4.065 1.00 0.00 C ATOM 157 C THR A 13 4.415 -5.392 -4.844 1.00 0.00 C ATOM 158 O THR A 13 4.727 -5.178 -6.016 1.00 0.00 O ATOM 159 CB THR A 13 2.096 -4.542 -4.497 1.00 0.00 C ATOM 160 OG1 THR A 13 1.958 -4.221 -5.886 1.00 0.00 O ATOM 161 CG2 THR A 13 1.196 -3.635 -3.671 1.00 0.00 C ATOM 0 H THR A 13 3.671 -2.570 -5.094 1.00 0.00 H new ATOM 0 HA THR A 13 3.647 -4.605 -2.999 1.00 0.00 H new ATOM 0 HB THR A 13 1.795 -5.576 -4.332 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.396 -4.894 -6.323 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.162 -3.757 -3.994 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.281 -3.900 -2.617 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.500 -2.597 -3.809 1.00 0.00 H new ATOM 169 N VAL A 14 4.786 -6.487 -4.187 1.00 0.00 N ATOM 170 CA VAL A 14 5.597 -7.520 -4.818 1.00 0.00 C ATOM 171 C VAL A 14 4.751 -8.732 -5.192 1.00 0.00 C ATOM 172 O VAL A 14 5.181 -9.585 -5.967 1.00 0.00 O ATOM 173 CB VAL A 14 6.746 -7.974 -3.896 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.790 -6.876 -3.763 1.00 0.00 C ATOM 175 CG2 VAL A 14 6.205 -8.376 -2.532 1.00 0.00 C ATOM 0 H VAL A 14 4.537 -6.681 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 14 6.019 -7.082 -5.723 1.00 0.00 H new ATOM 0 HB VAL A 14 7.226 -8.845 -4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.593 -7.215 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.198 -6.641 -4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.328 -5.984 -3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.029 -8.694 -1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.700 -7.525 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.498 -9.198 -2.649 1.00 0.00 H new ATOM 185 N GLN A 15 3.545 -8.799 -4.636 1.00 0.00 N ATOM 186 CA GLN A 15 2.639 -9.907 -4.912 1.00 0.00 C ATOM 187 C GLN A 15 1.188 -9.437 -4.904 1.00 0.00 C ATOM 188 O GLN A 15 0.812 -8.517 -4.178 1.00 0.00 O ATOM 189 CB GLN A 15 2.833 -11.021 -3.881 1.00 0.00 C ATOM 190 CG GLN A 15 4.230 -11.619 -3.887 1.00 0.00 C ATOM 191 CD GLN A 15 4.391 -12.714 -4.923 1.00 0.00 C ATOM 192 OE1 GLN A 15 3.456 -13.031 -5.659 1.00 0.00 O ATOM 193 NE2 GLN A 15 5.582 -13.299 -4.987 1.00 0.00 N ATOM 0 H GLN A 15 3.174 -8.100 -3.993 1.00 0.00 H new ATOM 0 HA GLN A 15 2.871 -10.296 -5.904 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.620 -10.626 -2.888 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.108 -11.812 -4.072 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.958 -10.831 -4.081 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.453 -12.023 -2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.329 -13.005 -4.358 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.749 -14.042 -5.665 1.00 0.00 H new ATOM 202 N PRO A 16 0.352 -10.083 -5.730 1.00 0.00 N ATOM 203 CA PRO A 16 -1.071 -9.749 -5.836 1.00 0.00 C ATOM 204 C PRO A 16 -1.852 -10.135 -4.585 1.00 0.00 C ATOM 205 O PRO A 16 -1.489 -11.077 -3.881 1.00 0.00 O ATOM 206 CB PRO A 16 -1.541 -10.575 -7.036 1.00 0.00 C ATOM 207 CG PRO A 16 -0.592 -11.721 -7.103 1.00 0.00 C ATOM 208 CD PRO A 16 0.731 -11.190 -6.624 1.00 0.00 C ATOM 0 HA PRO A 16 -1.230 -8.677 -5.951 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.567 -10.918 -6.903 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.518 -9.988 -7.954 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.931 -12.546 -6.477 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.514 -12.104 -8.120 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.303 -11.954 -6.097 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.349 -10.844 -7.453 1.00 0.00 H new ATOM 216 N TYR A 17 -2.928 -9.403 -4.315 1.00 0.00 N ATOM 217 CA TYR A 17 -3.759 -9.668 -3.147 1.00 0.00 C ATOM 218 C TYR A 17 -5.235 -9.717 -3.529 1.00 0.00 C ATOM 219 O TYR A 17 -5.698 -8.945 -4.370 1.00 0.00 O ATOM 220 CB TYR A 17 -3.533 -8.596 -2.079 1.00 0.00 C ATOM 221 CG TYR A 17 -4.313 -8.836 -0.807 1.00 0.00 C ATOM 222 CD1 TYR A 17 -3.907 -9.797 0.110 1.00 0.00 C ATOM 223 CD2 TYR A 17 -5.456 -8.098 -0.520 1.00 0.00 C ATOM 224 CE1 TYR A 17 -4.617 -10.020 1.274 1.00 0.00 C ATOM 225 CE2 TYR A 17 -6.171 -8.313 0.643 1.00 0.00 C ATOM 226 CZ TYR A 17 -5.748 -9.275 1.536 1.00 0.00 C ATOM 227 OH TYR A 17 -6.456 -9.493 2.696 1.00 0.00 O ATOM 0 H TYR A 17 -3.245 -8.622 -4.889 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.474 -10.639 -2.743 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.470 -8.551 -1.841 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.810 -7.624 -2.487 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.020 -10.380 -0.090 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.791 -7.344 -1.217 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.288 -10.773 1.975 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.056 -7.731 0.851 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.415 -9.397 2.517 1.00 0.00 H new ATOM 237 N THR A 18 -5.972 -10.630 -2.904 1.00 0.00 N ATOM 238 CA THR A 18 -7.396 -10.782 -3.177 1.00 0.00 C ATOM 239 C THR A 18 -8.236 -10.304 -1.999 1.00 0.00 C ATOM 240 O THR A 18 -8.312 -10.972 -0.968 1.00 0.00 O ATOM 241 CB THR A 18 -7.755 -12.247 -3.488 1.00 0.00 C ATOM 242 OG1 THR A 18 -6.956 -12.727 -4.576 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.229 -12.381 -3.838 1.00 0.00 C ATOM 0 H THR A 18 -5.606 -11.276 -2.205 1.00 0.00 H new ATOM 0 HA THR A 18 -7.617 -10.168 -4.050 1.00 0.00 H new ATOM 0 HB THR A 18 -7.554 -12.844 -2.598 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.189 -13.660 -4.766 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.458 -13.425 -4.054 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.835 -12.043 -2.997 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.452 -11.772 -4.714 1.00 0.00 H new ATOM 251 N SER A 19 -8.865 -9.145 -2.159 1.00 0.00 N ATOM 252 CA SER A 19 -9.699 -8.575 -1.106 1.00 0.00 C ATOM 253 C SER A 19 -11.024 -9.324 -0.998 1.00 0.00 C ATOM 254 O SER A 19 -11.820 -9.333 -1.936 1.00 0.00 O ATOM 255 CB SER A 19 -9.957 -7.093 -1.377 1.00 0.00 C ATOM 256 OG SER A 19 -10.448 -6.892 -2.691 1.00 0.00 O ATOM 0 H SER A 19 -8.814 -8.581 -3.008 1.00 0.00 H new ATOM 0 HA SER A 19 -9.167 -8.676 -0.160 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.676 -6.708 -0.654 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.034 -6.529 -1.240 1.00 0.00 H new ATOM 0 HG SER A 19 -11.082 -7.604 -2.916 1.00 0.00 H new ATOM 262 N GLN A 20 -11.252 -9.948 0.153 1.00 0.00 N ATOM 263 CA GLN A 20 -12.481 -10.698 0.384 1.00 0.00 C ATOM 264 C GLN A 20 -13.661 -9.758 0.606 1.00 0.00 C ATOM 265 O GLN A 20 -14.727 -9.933 0.015 1.00 0.00 O ATOM 266 CB GLN A 20 -12.318 -11.625 1.589 1.00 0.00 C ATOM 267 CG GLN A 20 -11.239 -12.680 1.405 1.00 0.00 C ATOM 268 CD GLN A 20 -11.470 -13.542 0.179 1.00 0.00 C ATOM 269 OE1 GLN A 20 -12.575 -14.035 -0.049 1.00 0.00 O ATOM 270 NE2 GLN A 20 -10.426 -13.727 -0.621 1.00 0.00 N ATOM 0 H GLN A 20 -10.603 -9.949 0.939 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.682 -11.298 -0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.082 -11.026 2.468 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.269 -12.120 1.787 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.268 -12.191 1.323 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.203 -13.315 2.290 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.528 -13.300 -0.394 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.522 -14.296 -1.462 1.00 0.00 H new ATOM 279 N SER A 21 -13.463 -8.760 1.461 1.00 0.00 N ATOM 280 CA SER A 21 -14.511 -7.794 1.765 1.00 0.00 C ATOM 281 C SER A 21 -14.025 -6.368 1.521 1.00 0.00 C ATOM 282 O SER A 21 -12.827 -6.125 1.374 1.00 0.00 O ATOM 283 CB SER A 21 -14.970 -7.946 3.217 1.00 0.00 C ATOM 284 OG SER A 21 -15.733 -9.127 3.389 1.00 0.00 O ATOM 0 H SER A 21 -12.586 -8.599 1.956 1.00 0.00 H new ATOM 0 HA SER A 21 -15.354 -7.991 1.102 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.102 -7.971 3.876 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.565 -7.080 3.506 1.00 0.00 H new ATOM 0 HG SER A 21 -16.013 -9.202 4.325 1.00 0.00 H new ATOM 290 N LYS A 22 -14.963 -5.429 1.476 1.00 0.00 N ATOM 291 CA LYS A 22 -14.633 -4.027 1.250 1.00 0.00 C ATOM 292 C LYS A 22 -13.480 -3.589 2.148 1.00 0.00 C ATOM 293 O LYS A 22 -12.471 -3.072 1.669 1.00 0.00 O ATOM 294 CB LYS A 22 -15.857 -3.145 1.508 1.00 0.00 C ATOM 295 CG LYS A 22 -16.996 -3.385 0.532 1.00 0.00 C ATOM 296 CD LYS A 22 -18.029 -2.272 0.595 1.00 0.00 C ATOM 297 CE LYS A 22 -19.104 -2.449 -0.468 1.00 0.00 C ATOM 298 NZ LYS A 22 -20.163 -1.407 -0.362 1.00 0.00 N ATOM 0 H LYS A 22 -15.959 -5.614 1.593 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.325 -3.915 0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.215 -3.323 2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.558 -2.098 1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.599 -3.457 -0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.474 -4.339 0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.491 -2.258 1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.537 -1.309 0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.648 -2.405 -1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.554 -3.437 -0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.877 -1.561 -1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.615 -1.466 0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.737 -0.466 -0.482 1.00 0.00 H new ATOM 312 N ASP A 23 -13.636 -3.799 3.449 1.00 0.00 N ATOM 313 CA ASP A 23 -12.606 -3.428 4.413 1.00 0.00 C ATOM 314 C ASP A 23 -11.214 -3.648 3.832 1.00 0.00 C ATOM 315 O ASP A 23 -10.287 -2.888 4.113 1.00 0.00 O ATOM 316 CB ASP A 23 -12.768 -4.237 5.701 1.00 0.00 C ATOM 317 CG ASP A 23 -12.305 -5.672 5.546 1.00 0.00 C ATOM 318 OD1 ASP A 23 -12.507 -6.245 4.456 1.00 0.00 O ATOM 319 OD2 ASP A 23 -11.742 -6.222 6.515 1.00 0.00 O ATOM 0 H ASP A 23 -14.466 -4.224 3.862 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.722 -2.368 4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.201 -3.760 6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.815 -4.227 6.004 1.00 0.00 H new ATOM 324 N GLU A 24 -11.074 -4.691 3.021 1.00 0.00 N ATOM 325 CA GLU A 24 -9.792 -5.011 2.401 1.00 0.00 C ATOM 326 C GLU A 24 -9.775 -4.584 0.937 1.00 0.00 C ATOM 327 O GLU A 24 -10.798 -4.631 0.253 1.00 0.00 O ATOM 328 CB GLU A 24 -9.509 -6.511 2.510 1.00 0.00 C ATOM 329 CG GLU A 24 -9.275 -6.984 3.935 1.00 0.00 C ATOM 330 CD GLU A 24 -9.552 -8.465 4.110 1.00 0.00 C ATOM 331 OE1 GLU A 24 -8.753 -9.282 3.606 1.00 0.00 O ATOM 332 OE2 GLU A 24 -10.567 -8.806 4.752 1.00 0.00 O ATOM 0 H GLU A 24 -11.831 -5.329 2.777 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.013 -4.462 2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.348 -7.062 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.633 -6.752 1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.244 -6.775 4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.913 -6.416 4.612 1.00 0.00 H new ATOM 339 N ILE A 25 -8.606 -4.168 0.462 1.00 0.00 N ATOM 340 CA ILE A 25 -8.454 -3.732 -0.920 1.00 0.00 C ATOM 341 C ILE A 25 -7.589 -4.708 -1.712 1.00 0.00 C ATOM 342 O ILE A 25 -6.564 -5.182 -1.223 1.00 0.00 O ATOM 343 CB ILE A 25 -7.831 -2.326 -1.003 1.00 0.00 C ATOM 344 CG1 ILE A 25 -7.992 -1.756 -2.414 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.362 -2.375 -0.610 1.00 0.00 C ATOM 346 CD1 ILE A 25 -7.819 -0.255 -2.481 1.00 0.00 C ATOM 0 H ILE A 25 -7.750 -4.124 1.015 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.454 -3.702 -1.353 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.352 -1.671 -0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.263 -2.228 -3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.980 -2.017 -2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.935 -1.374 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.271 -2.745 0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.827 -3.041 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.946 0.080 -3.510 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.565 0.226 -1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.821 0.012 -2.133 1.00 0.00 H new ATOM 358 N GLY A 26 -8.008 -5.001 -2.939 1.00 0.00 N ATOM 359 CA GLY A 26 -7.259 -5.917 -3.779 1.00 0.00 C ATOM 360 C GLY A 26 -6.439 -5.199 -4.832 1.00 0.00 C ATOM 361 O GLY A 26 -6.944 -4.316 -5.527 1.00 0.00 O ATOM 0 H GLY A 26 -8.852 -4.621 -3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.598 -6.519 -3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.950 -6.605 -4.267 1.00 0.00 H new ATOM 365 N PHE A 27 -5.170 -5.576 -4.951 1.00 0.00 N ATOM 366 CA PHE A 27 -4.277 -4.959 -5.925 1.00 0.00 C ATOM 367 C PHE A 27 -3.478 -6.019 -6.677 1.00 0.00 C ATOM 368 O PHE A 27 -3.618 -7.215 -6.421 1.00 0.00 O ATOM 369 CB PHE A 27 -3.325 -3.983 -5.230 1.00 0.00 C ATOM 370 CG PHE A 27 -2.723 -4.531 -3.967 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.730 -5.494 -4.018 1.00 0.00 C ATOM 372 CD2 PHE A 27 -3.153 -4.081 -2.729 1.00 0.00 C ATOM 373 CE1 PHE A 27 -1.174 -5.999 -2.857 1.00 0.00 C ATOM 374 CE2 PHE A 27 -2.601 -4.582 -1.565 1.00 0.00 C ATOM 375 CZ PHE A 27 -1.611 -5.544 -1.629 1.00 0.00 C ATOM 0 H PHE A 27 -4.737 -6.306 -4.385 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.886 -4.411 -6.643 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.524 -3.716 -5.919 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.864 -3.065 -4.998 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.385 -5.855 -4.976 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.928 -3.331 -2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.399 -6.749 -2.911 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.943 -4.222 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.180 -5.939 -0.721 1.00 0.00 H new ATOM 385 N GLU A 28 -2.639 -5.571 -7.606 1.00 0.00 N ATOM 386 CA GLU A 28 -1.818 -6.481 -8.397 1.00 0.00 C ATOM 387 C GLU A 28 -0.342 -6.323 -8.048 1.00 0.00 C ATOM 388 O GLU A 28 0.037 -5.434 -7.284 1.00 0.00 O ATOM 389 CB GLU A 28 -2.031 -6.228 -9.891 1.00 0.00 C ATOM 390 CG GLU A 28 -1.592 -4.846 -10.342 1.00 0.00 C ATOM 391 CD GLU A 28 -1.651 -4.678 -11.849 1.00 0.00 C ATOM 392 OE1 GLU A 28 -2.634 -5.146 -12.459 1.00 0.00 O ATOM 393 OE2 GLU A 28 -0.713 -4.080 -12.416 1.00 0.00 O ATOM 0 H GLU A 28 -2.510 -4.584 -7.829 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.122 -7.501 -8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.482 -6.978 -10.460 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.087 -6.359 -10.126 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.227 -4.095 -9.871 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.574 -4.662 -9.999 1.00 0.00 H new ATOM 400 N LYS A 29 0.490 -7.192 -8.613 1.00 0.00 N ATOM 401 CA LYS A 29 1.926 -7.150 -8.365 1.00 0.00 C ATOM 402 C LYS A 29 2.627 -6.245 -9.374 1.00 0.00 C ATOM 403 O LYS A 29 2.647 -6.530 -10.570 1.00 0.00 O ATOM 404 CB LYS A 29 2.517 -8.560 -8.433 1.00 0.00 C ATOM 405 CG LYS A 29 3.993 -8.584 -8.791 1.00 0.00 C ATOM 406 CD LYS A 29 4.492 -10.004 -9.003 1.00 0.00 C ATOM 407 CE LYS A 29 5.973 -10.028 -9.348 1.00 0.00 C ATOM 408 NZ LYS A 29 6.221 -9.616 -10.757 1.00 0.00 N ATOM 0 H LYS A 29 0.194 -7.935 -9.246 1.00 0.00 H new ATOM 0 HA LYS A 29 2.085 -6.743 -7.366 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.377 -9.050 -7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.963 -9.142 -9.170 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.158 -8.000 -9.697 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.569 -8.110 -7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.318 -10.591 -8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.923 -10.475 -9.804 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.514 -9.363 -8.675 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.367 -11.032 -9.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.242 -9.646 -10.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.726 -10.266 -11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.868 -8.649 -10.903 1.00 0.00 H new ATOM 422 N GLY A 30 3.202 -5.152 -8.881 1.00 0.00 N ATOM 423 CA GLY A 30 3.897 -4.222 -9.753 1.00 0.00 C ATOM 424 C GLY A 30 3.215 -2.870 -9.820 1.00 0.00 C ATOM 425 O GLY A 30 3.218 -2.217 -10.864 1.00 0.00 O ATOM 0 H GLY A 30 3.199 -4.894 -7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.920 -4.092 -9.399 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.958 -4.645 -10.756 1.00 0.00 H new ATOM 429 N VAL A 31 2.628 -2.449 -8.706 1.00 0.00 N ATOM 430 CA VAL A 31 1.938 -1.167 -8.642 1.00 0.00 C ATOM 431 C VAL A 31 2.389 -0.358 -7.431 1.00 0.00 C ATOM 432 O VAL A 31 2.960 -0.902 -6.485 1.00 0.00 O ATOM 433 CB VAL A 31 0.410 -1.353 -8.580 1.00 0.00 C ATOM 434 CG1 VAL A 31 -0.131 -1.789 -9.933 1.00 0.00 C ATOM 435 CG2 VAL A 31 0.040 -2.358 -7.500 1.00 0.00 C ATOM 0 H VAL A 31 2.616 -2.978 -7.834 1.00 0.00 H new ATOM 0 HA VAL A 31 2.194 -0.626 -9.553 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.045 -0.396 -8.326 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.212 -1.915 -9.869 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.102 -1.030 -10.680 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.328 -2.735 -10.221 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.043 -2.477 -7.470 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.505 -3.319 -7.722 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.393 -1.999 -6.533 1.00 0.00 H new ATOM 445 N THR A 32 2.130 0.945 -7.466 1.00 0.00 N ATOM 446 CA THR A 32 2.510 1.830 -6.373 1.00 0.00 C ATOM 447 C THR A 32 1.354 2.030 -5.400 1.00 0.00 C ATOM 448 O THR A 32 0.215 2.252 -5.811 1.00 0.00 O ATOM 449 CB THR A 32 2.971 3.204 -6.895 1.00 0.00 C ATOM 450 OG1 THR A 32 4.108 3.047 -7.751 1.00 0.00 O ATOM 451 CG2 THR A 32 3.321 4.131 -5.741 1.00 0.00 C ATOM 0 H THR A 32 1.658 1.411 -8.241 1.00 0.00 H new ATOM 0 HA THR A 32 3.340 1.351 -5.853 1.00 0.00 H new ATOM 0 HB THR A 32 2.151 3.647 -7.460 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.394 3.925 -8.080 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.644 5.095 -6.134 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.444 4.272 -5.109 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.126 3.691 -5.152 1.00 0.00 H new ATOM 459 N VAL A 33 1.653 1.951 -4.107 1.00 0.00 N ATOM 460 CA VAL A 33 0.639 2.125 -3.075 1.00 0.00 C ATOM 461 C VAL A 33 1.058 3.187 -2.065 1.00 0.00 C ATOM 462 O VAL A 33 2.246 3.458 -1.892 1.00 0.00 O ATOM 463 CB VAL A 33 0.363 0.805 -2.330 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.267 -0.215 -3.266 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.646 0.260 -1.720 1.00 0.00 C ATOM 0 H VAL A 33 2.591 1.767 -3.750 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.272 2.447 -3.579 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.341 1.004 -1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.455 -1.141 -2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.208 0.177 -3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.410 -0.413 -4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.433 -0.673 -1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.374 0.075 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.051 0.986 -1.015 1.00 0.00 H new ATOM 475 N GLU A 34 0.075 3.787 -1.402 1.00 0.00 N ATOM 476 CA GLU A 34 0.343 4.820 -0.408 1.00 0.00 C ATOM 477 C GLU A 34 -0.041 4.345 0.989 1.00 0.00 C ATOM 478 O GLU A 34 -1.224 4.242 1.320 1.00 0.00 O ATOM 479 CB GLU A 34 -0.422 6.100 -0.752 1.00 0.00 C ATOM 480 CG GLU A 34 0.092 6.800 -1.999 1.00 0.00 C ATOM 481 CD GLU A 34 -0.580 6.305 -3.265 1.00 0.00 C ATOM 482 OE1 GLU A 34 -1.827 6.245 -3.292 1.00 0.00 O ATOM 483 OE2 GLU A 34 0.143 5.977 -4.230 1.00 0.00 O ATOM 0 H GLU A 34 -0.914 3.576 -1.535 1.00 0.00 H new ATOM 0 HA GLU A 34 1.413 5.030 -0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.476 5.857 -0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.361 6.788 0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.071 7.873 -1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.168 6.647 -2.080 1.00 0.00 H new ATOM 490 N VAL A 35 0.966 4.056 1.807 1.00 0.00 N ATOM 491 CA VAL A 35 0.734 3.592 3.171 1.00 0.00 C ATOM 492 C VAL A 35 0.257 4.730 4.066 1.00 0.00 C ATOM 493 O VAL A 35 1.037 5.607 4.439 1.00 0.00 O ATOM 494 CB VAL A 35 2.009 2.976 3.777 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.764 2.553 5.218 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.482 1.797 2.940 1.00 0.00 C ATOM 0 H VAL A 35 1.950 4.135 1.550 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.041 2.828 3.118 1.00 0.00 H new ATOM 0 HB VAL A 35 2.794 3.732 3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.675 2.120 5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.476 3.423 5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.964 1.813 5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.384 1.375 3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.702 1.036 2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.700 2.134 1.927 1.00 0.00 H new ATOM 506 N ILE A 36 -1.027 4.710 4.406 1.00 0.00 N ATOM 507 CA ILE A 36 -1.607 5.740 5.258 1.00 0.00 C ATOM 508 C ILE A 36 -1.218 5.529 6.717 1.00 0.00 C ATOM 509 O ILE A 36 -0.562 6.377 7.324 1.00 0.00 O ATOM 510 CB ILE A 36 -3.143 5.763 5.147 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.568 5.999 3.696 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.724 6.837 6.055 1.00 0.00 C ATOM 513 CD1 ILE A 36 -5.026 5.691 3.434 1.00 0.00 C ATOM 0 H ILE A 36 -1.685 3.992 4.104 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.211 6.695 4.913 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.530 4.795 5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.372 7.039 3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.952 5.383 3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.810 6.841 5.965 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.446 6.629 7.088 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.332 7.811 5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.255 5.881 2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.224 4.644 3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.651 6.325 4.063 1.00 0.00 H new ATOM 525 N ARG A 37 -1.624 4.394 7.274 1.00 0.00 N ATOM 526 CA ARG A 37 -1.318 4.071 8.663 1.00 0.00 C ATOM 527 C ARG A 37 -0.791 2.645 8.786 1.00 0.00 C ATOM 528 O ARG A 37 -0.968 1.826 7.884 1.00 0.00 O ATOM 529 CB ARG A 37 -2.562 4.245 9.536 1.00 0.00 C ATOM 530 CG ARG A 37 -3.112 5.662 9.540 1.00 0.00 C ATOM 531 CD ARG A 37 -4.578 5.689 9.941 1.00 0.00 C ATOM 532 NE ARG A 37 -5.180 7.002 9.724 1.00 0.00 N ATOM 533 CZ ARG A 37 -6.354 7.365 10.229 1.00 0.00 C ATOM 534 NH1 ARG A 37 -7.048 6.518 10.977 1.00 0.00 N ATOM 535 NH2 ARG A 37 -6.835 8.578 9.986 1.00 0.00 N ATOM 0 H ARG A 37 -2.166 3.682 6.785 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.544 4.757 9.007 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.338 3.564 9.187 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.321 3.955 10.559 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.533 6.276 10.230 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.997 6.101 8.549 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.125 4.940 9.368 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.672 5.416 10.992 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.671 7.677 9.153 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.681 5.585 11.166 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.949 6.799 11.364 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.303 9.232 9.411 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.736 8.856 10.374 1.00 0.00 H new ATOM 549 N LYS A 38 -0.143 2.353 9.909 1.00 0.00 N ATOM 550 CA LYS A 38 0.409 1.026 10.152 1.00 0.00 C ATOM 551 C LYS A 38 -0.192 0.409 11.411 1.00 0.00 C ATOM 552 O LYS A 38 -0.458 1.106 12.389 1.00 0.00 O ATOM 553 CB LYS A 38 1.932 1.101 10.285 1.00 0.00 C ATOM 554 CG LYS A 38 2.621 1.686 9.064 1.00 0.00 C ATOM 555 CD LYS A 38 3.936 2.352 9.432 1.00 0.00 C ATOM 556 CE LYS A 38 4.718 2.761 8.193 1.00 0.00 C ATOM 557 NZ LYS A 38 5.981 3.468 8.544 1.00 0.00 N ATOM 0 H LYS A 38 0.013 3.019 10.666 1.00 0.00 H new ATOM 0 HA LYS A 38 0.155 0.393 9.302 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.183 1.704 11.157 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.322 0.100 10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.803 0.897 8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.964 2.414 8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.741 3.230 10.047 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.536 1.669 10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.950 1.876 7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.100 3.408 7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.256 4.096 7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.836 4.031 9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.735 2.771 8.709 1.00 0.00 H new ATOM 571 N ASN A 39 -0.402 -0.903 11.378 1.00 0.00 N ATOM 572 CA ASN A 39 -0.970 -1.614 12.518 1.00 0.00 C ATOM 573 C ASN A 39 -0.018 -2.699 13.014 1.00 0.00 C ATOM 574 O ASN A 39 0.910 -3.095 12.307 1.00 0.00 O ATOM 575 CB ASN A 39 -2.316 -2.236 12.139 1.00 0.00 C ATOM 576 CG ASN A 39 -3.254 -2.352 13.324 1.00 0.00 C ATOM 577 OD1 ASN A 39 -2.818 -2.376 14.475 1.00 0.00 O ATOM 578 ND2 ASN A 39 -4.550 -2.425 13.048 1.00 0.00 N ATOM 0 H ASN A 39 -0.188 -1.495 10.575 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.123 -0.894 13.322 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.787 -1.631 11.364 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.149 -3.225 11.713 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.229 -2.505 13.805 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.867 -2.401 12.079 1.00 0.00 H new ATOM 585 N LEU A 40 -0.254 -3.175 14.230 1.00 0.00 N ATOM 586 CA LEU A 40 0.581 -4.214 14.820 1.00 0.00 C ATOM 587 C LEU A 40 0.184 -5.592 14.302 1.00 0.00 C ATOM 588 O LEU A 40 1.031 -6.467 14.122 1.00 0.00 O ATOM 589 CB LEU A 40 0.472 -4.181 16.346 1.00 0.00 C ATOM 590 CG LEU A 40 1.457 -3.262 17.069 1.00 0.00 C ATOM 591 CD1 LEU A 40 1.083 -3.128 18.538 1.00 0.00 C ATOM 592 CD2 LEU A 40 2.879 -3.786 16.926 1.00 0.00 C ATOM 0 H LEU A 40 -1.017 -2.858 14.828 1.00 0.00 H new ATOM 0 HA LEU A 40 1.614 -4.020 14.531 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.540 -3.876 16.612 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.609 -5.195 16.722 1.00 0.00 H new ATOM 0 HG LEU A 40 1.406 -2.275 16.610 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.795 -2.470 19.036 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.081 -2.707 18.621 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.105 -4.110 19.010 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.566 -3.119 17.447 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.944 -4.784 17.359 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.146 -3.830 15.870 1.00 0.00 H new ATOM 604 N GLU A 41 -1.110 -5.779 14.061 1.00 0.00 N ATOM 605 CA GLU A 41 -1.619 -7.050 13.562 1.00 0.00 C ATOM 606 C GLU A 41 -1.361 -7.189 12.064 1.00 0.00 C ATOM 607 O GLU A 41 -2.277 -7.458 11.288 1.00 0.00 O ATOM 608 CB GLU A 41 -3.117 -7.173 13.846 1.00 0.00 C ATOM 609 CG GLU A 41 -3.464 -7.109 15.324 1.00 0.00 C ATOM 610 CD GLU A 41 -4.935 -6.838 15.567 1.00 0.00 C ATOM 611 OE1 GLU A 41 -5.774 -7.520 14.943 1.00 0.00 O ATOM 612 OE2 GLU A 41 -5.248 -5.943 16.382 1.00 0.00 O ATOM 0 H GLU A 41 -1.825 -5.065 14.204 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.092 -7.851 14.080 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.644 -6.375 13.323 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.479 -8.116 13.437 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.189 -8.051 15.799 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.871 -6.327 15.799 1.00 0.00 H new ATOM 619 N GLY A 42 -0.107 -7.001 11.665 1.00 0.00 N ATOM 620 CA GLY A 42 0.249 -7.108 10.263 1.00 0.00 C ATOM 621 C GLY A 42 -0.772 -6.454 9.353 1.00 0.00 C ATOM 622 O GLY A 42 -1.096 -6.983 8.290 1.00 0.00 O ATOM 0 H GLY A 42 0.669 -6.776 12.288 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.223 -6.646 10.103 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.348 -8.160 9.996 1.00 0.00 H new ATOM 626 N TRP A 43 -1.282 -5.302 9.772 1.00 0.00 N ATOM 627 CA TRP A 43 -2.276 -4.576 8.989 1.00 0.00 C ATOM 628 C TRP A 43 -1.797 -3.161 8.678 1.00 0.00 C ATOM 629 O TRP A 43 -1.652 -2.335 9.579 1.00 0.00 O ATOM 630 CB TRP A 43 -3.608 -4.523 9.738 1.00 0.00 C ATOM 631 CG TRP A 43 -4.507 -5.684 9.434 1.00 0.00 C ATOM 632 CD1 TRP A 43 -5.082 -6.533 10.335 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.932 -6.122 8.139 1.00 0.00 C ATOM 634 NE1 TRP A 43 -5.839 -7.473 9.678 1.00 0.00 N ATOM 635 CE2 TRP A 43 -5.763 -7.242 8.331 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.692 -5.677 6.837 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -6.353 -7.921 7.268 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -5.277 -6.352 5.783 1.00 0.00 C ATOM 639 CH2 TRP A 43 -6.101 -7.463 6.004 1.00 0.00 C ATOM 0 H TRP A 43 -1.024 -4.850 10.649 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.418 -5.107 8.048 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.413 -4.495 10.810 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.123 -3.597 9.483 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.960 -6.475 11.406 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.371 -8.221 10.122 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.060 -4.820 6.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.987 -8.779 7.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.096 -6.018 4.772 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.546 -7.968 5.160 1.00 0.00 H new ATOM 650 N TRP A 44 -1.553 -2.891 7.401 1.00 0.00 N ATOM 651 CA TRP A 44 -1.091 -1.576 6.973 1.00 0.00 C ATOM 652 C TRP A 44 -2.088 -0.933 6.017 1.00 0.00 C ATOM 653 O TRP A 44 -2.229 -1.362 4.872 1.00 0.00 O ATOM 654 CB TRP A 44 0.279 -1.688 6.302 1.00 0.00 C ATOM 655 CG TRP A 44 1.415 -1.756 7.278 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.377 -2.261 8.546 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.756 -1.302 7.063 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.614 -2.147 9.134 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.477 -1.563 8.245 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.418 -0.703 5.989 1.00 0.00 C ATOM 661 CZ2 TRP A 44 4.826 -1.244 8.380 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.756 -0.385 6.125 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.449 -0.657 7.312 1.00 0.00 C ATOM 0 H TRP A 44 -1.667 -3.565 6.644 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.005 -0.943 7.856 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.296 -2.578 5.673 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.425 -0.831 5.645 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.504 -2.687 9.017 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.851 -2.448 10.079 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.894 -0.492 5.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.361 -1.452 9.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.277 0.081 5.302 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.495 -0.398 7.386 1.00 0.00 H new ATOM 674 N TYR A 45 -2.778 0.097 6.494 1.00 0.00 N ATOM 675 CA TYR A 45 -3.765 0.799 5.680 1.00 0.00 C ATOM 676 C TYR A 45 -3.090 1.567 4.548 1.00 0.00 C ATOM 677 O TYR A 45 -2.319 2.496 4.788 1.00 0.00 O ATOM 678 CB TYR A 45 -4.583 1.758 6.547 1.00 0.00 C ATOM 679 CG TYR A 45 -5.987 1.985 6.038 1.00 0.00 C ATOM 680 CD1 TYR A 45 -6.848 0.918 5.815 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.454 3.269 5.780 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.133 1.123 5.348 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.737 3.483 5.316 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.573 2.406 5.100 1.00 0.00 C ATOM 685 OH TYR A 45 -9.852 2.614 4.637 1.00 0.00 O ATOM 0 H TYR A 45 -2.673 0.465 7.440 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.433 0.057 5.243 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.633 1.364 7.562 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.066 2.716 6.602 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.508 -0.088 6.010 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.802 4.114 5.945 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.789 0.282 5.178 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.084 4.487 5.123 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.083 1.916 3.989 1.00 0.00 H new ATOM 695 N ILE A 46 -3.388 1.173 3.315 1.00 0.00 N ATOM 696 CA ILE A 46 -2.813 1.826 2.145 1.00 0.00 C ATOM 697 C ILE A 46 -3.903 2.359 1.222 1.00 0.00 C ATOM 698 O ILE A 46 -5.088 2.088 1.421 1.00 0.00 O ATOM 699 CB ILE A 46 -1.908 0.865 1.352 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.714 -0.339 0.859 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.738 0.410 2.211 1.00 0.00 C ATOM 702 CD1 ILE A 46 -2.166 -0.954 -0.410 1.00 0.00 C ATOM 0 H ILE A 46 -4.024 0.405 3.100 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.212 2.658 2.511 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.513 1.394 0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.734 -1.098 1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.745 -0.030 0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.107 -0.269 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.153 1.277 2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.114 -0.105 3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.786 -1.802 -0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.171 -0.210 -1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.145 -1.294 -0.238 1.00 0.00 H new ATOM 714 N ARG A 47 -3.495 3.117 0.209 1.00 0.00 N ATOM 715 CA ARG A 47 -4.437 3.688 -0.747 1.00 0.00 C ATOM 716 C ARG A 47 -4.090 3.263 -2.171 1.00 0.00 C ATOM 717 O ARG A 47 -2.959 3.436 -2.623 1.00 0.00 O ATOM 718 CB ARG A 47 -4.438 5.214 -0.644 1.00 0.00 C ATOM 719 CG ARG A 47 -5.556 5.876 -1.432 1.00 0.00 C ATOM 720 CD ARG A 47 -5.418 7.391 -1.430 1.00 0.00 C ATOM 721 NE ARG A 47 -5.838 7.978 -0.162 1.00 0.00 N ATOM 722 CZ ARG A 47 -5.047 8.075 0.901 1.00 0.00 C ATOM 723 NH1 ARG A 47 -3.801 7.627 0.847 1.00 0.00 N ATOM 724 NH2 ARG A 47 -5.503 8.622 2.021 1.00 0.00 N ATOM 0 H ARG A 47 -2.518 3.350 0.029 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.432 3.314 -0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.526 5.499 0.404 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.480 5.594 -0.999 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.545 5.510 -2.459 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.519 5.597 -1.004 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.381 7.660 -1.628 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.016 7.810 -2.239 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.791 8.333 -0.088 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.447 7.206 -0.012 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.196 7.703 1.665 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.461 8.968 2.066 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.895 8.696 2.837 1.00 0.00 H new ATOM 738 N TYR A 48 -5.071 2.706 -2.871 1.00 0.00 N ATOM 739 CA TYR A 48 -4.870 2.254 -4.243 1.00 0.00 C ATOM 740 C TYR A 48 -6.145 2.420 -5.065 1.00 0.00 C ATOM 741 O TYR A 48 -7.238 2.072 -4.614 1.00 0.00 O ATOM 742 CB TYR A 48 -4.427 0.790 -4.260 1.00 0.00 C ATOM 743 CG TYR A 48 -4.380 0.187 -5.645 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.611 0.762 -6.649 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.105 -0.958 -5.950 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.565 0.215 -7.916 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.065 -1.513 -7.215 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.293 -0.922 -8.195 1.00 0.00 C ATOM 749 OH TYR A 48 -4.250 -1.471 -9.456 1.00 0.00 O ATOM 0 H TYR A 48 -6.014 2.556 -2.511 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.089 2.869 -4.690 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.439 0.713 -3.806 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.109 0.206 -3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.039 1.653 -6.435 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.710 -1.422 -5.186 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.962 0.675 -8.684 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.634 -2.404 -7.436 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.818 -2.269 -9.485 1.00 0.00 H new ATOM 759 N LEU A 49 -5.997 2.954 -6.271 1.00 0.00 N ATOM 760 CA LEU A 49 -7.136 3.168 -7.159 1.00 0.00 C ATOM 761 C LEU A 49 -8.144 4.125 -6.531 1.00 0.00 C ATOM 762 O LEU A 49 -9.353 3.933 -6.646 1.00 0.00 O ATOM 763 CB LEU A 49 -7.814 1.834 -7.480 1.00 0.00 C ATOM 764 CG LEU A 49 -7.203 1.029 -8.627 1.00 0.00 C ATOM 765 CD1 LEU A 49 -7.790 -0.373 -8.667 1.00 0.00 C ATOM 766 CD2 LEU A 49 -7.425 1.739 -9.954 1.00 0.00 C ATOM 0 H LEU A 49 -5.100 3.247 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.767 3.614 -8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.800 1.217 -6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.860 2.029 -7.716 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.130 0.947 -8.456 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.343 -0.931 -9.490 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.580 -0.882 -7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.868 -0.312 -8.813 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.984 1.152 -10.759 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.494 1.852 -10.132 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.956 2.723 -9.923 1.00 0.00 H new ATOM 778 N GLY A 50 -7.636 5.159 -5.867 1.00 0.00 N ATOM 779 CA GLY A 50 -8.505 6.133 -5.233 1.00 0.00 C ATOM 780 C GLY A 50 -9.403 5.511 -4.182 1.00 0.00 C ATOM 781 O GLY A 50 -10.551 5.920 -4.015 1.00 0.00 O ATOM 0 H GLY A 50 -6.638 5.339 -5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.897 6.912 -4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.120 6.616 -5.993 1.00 0.00 H new ATOM 785 N LYS A 51 -8.880 4.517 -3.473 1.00 0.00 N ATOM 786 CA LYS A 51 -9.641 3.835 -2.432 1.00 0.00 C ATOM 787 C LYS A 51 -8.730 3.398 -1.290 1.00 0.00 C ATOM 788 O LYS A 51 -7.648 2.859 -1.519 1.00 0.00 O ATOM 789 CB LYS A 51 -10.366 2.620 -3.016 1.00 0.00 C ATOM 790 CG LYS A 51 -11.632 2.249 -2.263 1.00 0.00 C ATOM 791 CD LYS A 51 -11.340 1.295 -1.117 1.00 0.00 C ATOM 792 CE LYS A 51 -11.343 -0.153 -1.582 1.00 0.00 C ATOM 793 NZ LYS A 51 -11.463 -1.102 -0.440 1.00 0.00 N ATOM 0 H LYS A 51 -7.931 4.165 -3.600 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.378 4.534 -2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.618 2.823 -4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.688 1.767 -3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.103 3.152 -1.875 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.343 1.788 -2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.371 1.536 -0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.085 1.428 -0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.171 -0.311 -2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.425 -0.360 -2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.461 -2.078 -0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.660 -0.969 0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.352 -0.922 0.069 1.00 0.00 H new ATOM 807 N GLU A 52 -9.178 3.631 -0.060 1.00 0.00 N ATOM 808 CA GLU A 52 -8.402 3.260 1.118 1.00 0.00 C ATOM 809 C GLU A 52 -8.948 1.983 1.748 1.00 0.00 C ATOM 810 O GLU A 52 -10.125 1.905 2.098 1.00 0.00 O ATOM 811 CB GLU A 52 -8.413 4.395 2.143 1.00 0.00 C ATOM 812 CG GLU A 52 -7.865 5.706 1.608 1.00 0.00 C ATOM 813 CD GLU A 52 -8.910 6.515 0.863 1.00 0.00 C ATOM 814 OE1 GLU A 52 -9.676 7.248 1.522 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.961 6.414 -0.382 1.00 0.00 O ATOM 0 H GLU A 52 -10.073 4.074 0.146 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.375 3.078 0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.435 4.552 2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.827 4.094 3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.476 6.298 2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.027 5.500 0.942 1.00 0.00 H new ATOM 822 N GLY A 53 -8.083 0.982 1.891 1.00 0.00 N ATOM 823 CA GLY A 53 -8.498 -0.279 2.478 1.00 0.00 C ATOM 824 C GLY A 53 -7.391 -0.936 3.280 1.00 0.00 C ATOM 825 O GLY A 53 -6.291 -0.396 3.390 1.00 0.00 O ATOM 0 H GLY A 53 -7.103 1.022 1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.360 -0.110 3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.821 -0.956 1.687 1.00 0.00 H new ATOM 829 N TRP A 54 -7.683 -2.105 3.838 1.00 0.00 N ATOM 830 CA TRP A 54 -6.705 -2.836 4.635 1.00 0.00 C ATOM 831 C TRP A 54 -5.907 -3.802 3.766 1.00 0.00 C ATOM 832 O TRP A 54 -6.465 -4.480 2.903 1.00 0.00 O ATOM 833 CB TRP A 54 -7.401 -3.602 5.761 1.00 0.00 C ATOM 834 CG TRP A 54 -7.729 -2.746 6.947 1.00 0.00 C ATOM 835 CD1 TRP A 54 -8.973 -2.403 7.392 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.796 -2.124 7.838 1.00 0.00 C ATOM 837 NE1 TRP A 54 -8.871 -1.605 8.507 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.546 -1.420 8.801 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.402 -2.095 7.918 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -6.946 -0.696 9.827 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.807 -1.376 8.937 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.579 -0.684 9.881 1.00 0.00 C ATOM 0 H TRP A 54 -8.589 -2.567 3.753 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.016 -2.112 5.070 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.320 -4.044 5.376 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.761 -4.424 6.081 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.901 -2.713 6.935 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.655 -1.214 9.030 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.799 -2.626 7.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.539 -0.162 10.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.730 -1.347 9.007 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.085 -0.131 10.666 1.00 0.00 H new ATOM 853 N ALA A 55 -4.600 -3.858 3.996 1.00 0.00 N ATOM 854 CA ALA A 55 -3.727 -4.742 3.235 1.00 0.00 C ATOM 855 C ALA A 55 -2.574 -5.250 4.094 1.00 0.00 C ATOM 856 O ALA A 55 -2.045 -4.538 4.948 1.00 0.00 O ATOM 857 CB ALA A 55 -3.193 -4.025 2.003 1.00 0.00 C ATOM 0 H ALA A 55 -4.122 -3.301 4.704 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.314 -5.603 2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.542 -4.698 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.026 -3.718 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.627 -3.145 2.310 1.00 0.00 H new ATOM 863 N PRO A 56 -2.174 -6.510 3.866 1.00 0.00 N ATOM 864 CA PRO A 56 -1.080 -7.140 4.611 1.00 0.00 C ATOM 865 C PRO A 56 0.278 -6.543 4.261 1.00 0.00 C ATOM 866 O PRO A 56 0.653 -6.471 3.091 1.00 0.00 O ATOM 867 CB PRO A 56 -1.150 -8.605 4.170 1.00 0.00 C ATOM 868 CG PRO A 56 -1.792 -8.566 2.827 1.00 0.00 C ATOM 869 CD PRO A 56 -2.761 -7.416 2.864 1.00 0.00 C ATOM 0 HA PRO A 56 -1.184 -6.998 5.687 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.157 -9.052 4.121 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.734 -9.202 4.871 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.048 -8.424 2.043 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.306 -9.503 2.613 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.851 -6.935 1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.761 -7.741 3.152 1.00 0.00 H new ATOM 877 N ALA A 57 1.012 -6.115 5.283 1.00 0.00 N ATOM 878 CA ALA A 57 2.330 -5.526 5.084 1.00 0.00 C ATOM 879 C ALA A 57 3.254 -6.485 4.340 1.00 0.00 C ATOM 880 O ALA A 57 4.244 -6.068 3.740 1.00 0.00 O ATOM 881 CB ALA A 57 2.941 -5.132 6.420 1.00 0.00 C ATOM 0 H ALA A 57 0.716 -6.165 6.258 1.00 0.00 H new ATOM 0 HA ALA A 57 2.211 -4.631 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.925 -4.694 6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.298 -4.404 6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.039 -6.016 7.050 1.00 0.00 H new ATOM 887 N SER A 58 2.923 -7.772 4.386 1.00 0.00 N ATOM 888 CA SER A 58 3.726 -8.791 3.720 1.00 0.00 C ATOM 889 C SER A 58 3.735 -8.574 2.210 1.00 0.00 C ATOM 890 O SER A 58 4.701 -8.919 1.528 1.00 0.00 O ATOM 891 CB SER A 58 3.187 -10.186 4.043 1.00 0.00 C ATOM 892 OG SER A 58 3.571 -10.591 5.345 1.00 0.00 O ATOM 0 H SER A 58 2.105 -8.133 4.877 1.00 0.00 H new ATOM 0 HA SER A 58 4.749 -8.710 4.087 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.100 -10.187 3.964 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.560 -10.902 3.311 1.00 0.00 H new ATOM 0 HG SER A 58 3.213 -11.485 5.528 1.00 0.00 H new ATOM 898 N TYR A 59 2.654 -8.001 1.694 1.00 0.00 N ATOM 899 CA TYR A 59 2.535 -7.740 0.264 1.00 0.00 C ATOM 900 C TYR A 59 2.955 -6.311 -0.066 1.00 0.00 C ATOM 901 O TYR A 59 2.636 -5.788 -1.134 1.00 0.00 O ATOM 902 CB TYR A 59 1.099 -7.982 -0.203 1.00 0.00 C ATOM 903 CG TYR A 59 0.689 -9.437 -0.171 1.00 0.00 C ATOM 904 CD1 TYR A 59 0.580 -10.123 1.032 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.413 -10.127 -1.344 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.207 -11.452 1.066 1.00 0.00 C ATOM 907 CE2 TYR A 59 0.038 -11.456 -1.320 1.00 0.00 C ATOM 908 CZ TYR A 59 -0.063 -12.114 -0.112 1.00 0.00 C ATOM 909 OH TYR A 59 -0.435 -13.439 -0.085 1.00 0.00 O ATOM 0 H TYR A 59 1.847 -7.708 2.245 1.00 0.00 H new ATOM 0 HA TYR A 59 3.201 -8.425 -0.261 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.419 -7.408 0.427 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.988 -7.604 -1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.791 -9.608 1.957 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.493 -9.615 -2.292 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.127 -11.970 2.010 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.175 -11.977 -2.242 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.590 -13.754 -1.000 1.00 0.00 H new ATOM 919 N LEU A 60 3.672 -5.683 0.861 1.00 0.00 N ATOM 920 CA LEU A 60 4.137 -4.314 0.671 1.00 0.00 C ATOM 921 C LEU A 60 5.563 -4.147 1.184 1.00 0.00 C ATOM 922 O LEU A 60 5.936 -4.714 2.211 1.00 0.00 O ATOM 923 CB LEU A 60 3.207 -3.334 1.388 1.00 0.00 C ATOM 924 CG LEU A 60 1.709 -3.541 1.162 1.00 0.00 C ATOM 925 CD1 LEU A 60 0.903 -2.833 2.240 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.305 -3.050 -0.220 1.00 0.00 C ATOM 0 H LEU A 60 3.943 -6.101 1.751 1.00 0.00 H new ATOM 0 HA LEU A 60 4.127 -4.099 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.404 -3.394 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.465 -2.323 1.073 1.00 0.00 H new ATOM 0 HG LEU A 60 1.496 -4.608 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.161 -2.992 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.171 -3.234 3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.120 -1.765 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.236 -3.205 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.533 -1.988 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.857 -3.605 -0.979 1.00 0.00 H new ATOM 938 N LYS A 61 6.358 -3.363 0.462 1.00 0.00 N ATOM 939 CA LYS A 61 7.744 -3.118 0.845 1.00 0.00 C ATOM 940 C LYS A 61 8.140 -1.674 0.554 1.00 0.00 C ATOM 941 O LYS A 61 7.796 -1.123 -0.492 1.00 0.00 O ATOM 942 CB LYS A 61 8.677 -4.074 0.100 1.00 0.00 C ATOM 943 CG LYS A 61 8.951 -3.662 -1.336 1.00 0.00 C ATOM 944 CD LYS A 61 10.053 -4.504 -1.957 1.00 0.00 C ATOM 945 CE LYS A 61 10.430 -3.996 -3.340 1.00 0.00 C ATOM 946 NZ LYS A 61 11.019 -2.630 -3.288 1.00 0.00 N ATOM 0 H LYS A 61 6.066 -2.887 -0.391 1.00 0.00 H new ATOM 0 HA LYS A 61 7.836 -3.293 1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.623 -4.137 0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.240 -5.072 0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.039 -3.763 -1.925 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.235 -2.610 -1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.931 -4.490 -1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.725 -5.541 -2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.144 -4.682 -3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.545 -3.986 -3.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.519 -2.433 -4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.261 -1.930 -3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.689 -2.571 -2.494 1.00 0.00 H new ATOM 960 N LYS A 62 8.868 -1.066 1.485 1.00 0.00 N ATOM 961 CA LYS A 62 9.316 0.312 1.328 1.00 0.00 C ATOM 962 C LYS A 62 10.095 0.487 0.027 1.00 0.00 C ATOM 963 O LYS A 62 11.073 -0.216 -0.220 1.00 0.00 O ATOM 964 CB LYS A 62 10.186 0.727 2.516 1.00 0.00 C ATOM 965 CG LYS A 62 10.133 2.214 2.821 1.00 0.00 C ATOM 966 CD LYS A 62 11.369 2.673 3.576 1.00 0.00 C ATOM 967 CE LYS A 62 11.145 4.020 4.244 1.00 0.00 C ATOM 968 NZ LYS A 62 10.435 3.883 5.546 1.00 0.00 N ATOM 0 H LYS A 62 9.160 -1.507 2.357 1.00 0.00 H new ATOM 0 HA LYS A 62 8.434 0.952 1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.868 0.172 3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.219 0.443 2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.045 2.774 1.890 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.243 2.434 3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.633 1.931 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.212 2.742 2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.105 4.510 4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.566 4.662 3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.302 4.824 5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.508 3.439 5.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.999 3.291 6.189 1.00 0.00 H new ATOM 982 N ALA A 63 9.654 1.431 -0.798 1.00 0.00 N ATOM 983 CA ALA A 63 10.313 1.700 -2.071 1.00 0.00 C ATOM 984 C ALA A 63 11.489 2.653 -1.889 1.00 0.00 C ATOM 985 O ALA A 63 11.452 3.549 -1.045 1.00 0.00 O ATOM 986 CB ALA A 63 9.317 2.272 -3.070 1.00 0.00 C ATOM 0 H ALA A 63 8.844 2.022 -0.608 1.00 0.00 H new ATOM 0 HA ALA A 63 10.699 0.757 -2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.822 2.468 -4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.511 1.556 -3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.904 3.202 -2.680 1.00 0.00 H new ATOM 992 N LYS A 64 12.535 2.454 -2.686 1.00 0.00 N ATOM 993 CA LYS A 64 13.724 3.295 -2.614 1.00 0.00 C ATOM 994 C LYS A 64 14.200 3.683 -4.010 1.00 0.00 C ATOM 995 O LYS A 64 14.267 2.844 -4.909 1.00 0.00 O ATOM 996 CB LYS A 64 14.843 2.569 -1.865 1.00 0.00 C ATOM 997 CG LYS A 64 15.957 3.488 -1.397 1.00 0.00 C ATOM 998 CD LYS A 64 16.690 2.910 -0.197 1.00 0.00 C ATOM 999 CE LYS A 64 15.864 3.037 1.073 1.00 0.00 C ATOM 1000 NZ LYS A 64 16.073 4.351 1.742 1.00 0.00 N ATOM 0 H LYS A 64 12.583 1.717 -3.389 1.00 0.00 H new ATOM 0 HA LYS A 64 13.464 4.204 -2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.418 2.058 -1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.265 1.802 -2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.663 3.650 -2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.542 4.461 -1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.919 1.860 -0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.641 3.426 -0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.808 2.916 0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.129 2.233 1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.492 4.398 2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.076 4.456 1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.796 5.117 1.096 1.00 0.00 H new ATOM 1014 N ASP A 65 14.531 4.958 -4.184 1.00 0.00 N ATOM 1015 CA ASP A 65 15.004 5.457 -5.470 1.00 0.00 C ATOM 1016 C ASP A 65 16.492 5.788 -5.410 1.00 0.00 C ATOM 1017 O ASP A 65 16.952 6.457 -4.485 1.00 0.00 O ATOM 1018 CB ASP A 65 14.209 6.696 -5.884 1.00 0.00 C ATOM 1019 CG ASP A 65 12.968 6.347 -6.682 1.00 0.00 C ATOM 1020 OD1 ASP A 65 12.187 5.490 -6.219 1.00 0.00 O ATOM 1021 OD2 ASP A 65 12.778 6.931 -7.769 1.00 0.00 O ATOM 0 H ASP A 65 14.480 5.665 -3.450 1.00 0.00 H new ATOM 0 HA ASP A 65 14.854 4.674 -6.213 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.920 7.253 -4.993 1.00 0.00 H new ATOM 0 HB3 ASP A 65 14.846 7.352 -6.477 1.00 0.00 H new ATOM 1026 N SER A 66 17.238 5.315 -6.403 1.00 0.00 N ATOM 1027 CA SER A 66 18.675 5.556 -6.460 1.00 0.00 C ATOM 1028 C SER A 66 18.969 7.031 -6.717 1.00 0.00 C ATOM 1029 O SER A 66 19.712 7.668 -5.971 1.00 0.00 O ATOM 1030 CB SER A 66 19.314 4.699 -7.555 1.00 0.00 C ATOM 1031 OG SER A 66 19.457 3.355 -7.132 1.00 0.00 O ATOM 0 H SER A 66 16.872 4.763 -7.179 1.00 0.00 H new ATOM 0 HA SER A 66 19.103 5.281 -5.496 1.00 0.00 H new ATOM 0 HB2 SER A 66 18.701 4.737 -8.455 1.00 0.00 H new ATOM 0 HB3 SER A 66 20.290 5.107 -7.817 1.00 0.00 H new ATOM 0 HG SER A 66 19.866 2.828 -7.850 1.00 0.00 H new ATOM 1037 N GLY A 67 18.378 7.569 -7.779 1.00 0.00 N ATOM 1038 CA GLY A 67 18.587 8.965 -8.117 1.00 0.00 C ATOM 1039 C GLY A 67 17.575 9.880 -7.456 1.00 0.00 C ATOM 1040 O GLY A 67 16.952 9.529 -6.454 1.00 0.00 O ATOM 0 H GLY A 67 17.758 7.063 -8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.592 9.262 -7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.530 9.086 -9.199 1.00 0.00 H new ATOM 1044 N PRO A 68 17.401 11.083 -8.021 1.00 0.00 N ATOM 1045 CA PRO A 68 16.460 12.076 -7.495 1.00 0.00 C ATOM 1046 C PRO A 68 15.006 11.662 -7.699 1.00 0.00 C ATOM 1047 O PRO A 68 14.459 11.802 -8.793 1.00 0.00 O ATOM 1048 CB PRO A 68 16.777 13.333 -8.310 1.00 0.00 C ATOM 1049 CG PRO A 68 17.365 12.822 -9.580 1.00 0.00 C ATOM 1050 CD PRO A 68 18.111 11.568 -9.217 1.00 0.00 C ATOM 0 HA PRO A 68 16.569 12.210 -6.419 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.878 13.920 -8.498 1.00 0.00 H new ATOM 0 HB3 PRO A 68 17.477 13.981 -7.782 1.00 0.00 H new ATOM 0 HG2 PRO A 68 16.587 12.614 -10.314 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.034 13.559 -10.024 1.00 0.00 H new ATOM 0 HD2 PRO A 68 18.084 10.836 -10.025 1.00 0.00 H new ATOM 0 HD3 PRO A 68 19.161 11.772 -9.006 1.00 0.00 H new ATOM 1058 N SER A 69 14.387 11.153 -6.640 1.00 0.00 N ATOM 1059 CA SER A 69 12.997 10.715 -6.704 1.00 0.00 C ATOM 1060 C SER A 69 12.091 11.851 -7.168 1.00 0.00 C ATOM 1061 O SER A 69 12.462 13.023 -7.100 1.00 0.00 O ATOM 1062 CB SER A 69 12.537 10.206 -5.337 1.00 0.00 C ATOM 1063 OG SER A 69 12.522 11.252 -4.382 1.00 0.00 O ATOM 0 H SER A 69 14.825 11.033 -5.727 1.00 0.00 H new ATOM 0 HA SER A 69 12.931 9.902 -7.427 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.540 9.774 -5.423 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.201 9.411 -4.999 1.00 0.00 H new ATOM 0 HG SER A 69 12.223 10.901 -3.517 1.00 0.00 H new ATOM 1069 N SER A 70 10.900 11.495 -7.640 1.00 0.00 N ATOM 1070 CA SER A 70 9.941 12.484 -8.119 1.00 0.00 C ATOM 1071 C SER A 70 8.933 12.835 -7.029 1.00 0.00 C ATOM 1072 O SER A 70 8.365 11.953 -6.386 1.00 0.00 O ATOM 1073 CB SER A 70 9.210 11.958 -9.356 1.00 0.00 C ATOM 1074 OG SER A 70 8.662 13.021 -10.115 1.00 0.00 O ATOM 0 H SER A 70 10.576 10.530 -7.701 1.00 0.00 H new ATOM 0 HA SER A 70 10.490 13.387 -8.386 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.901 11.384 -9.974 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.415 11.278 -9.051 1.00 0.00 H new ATOM 0 HG SER A 70 8.202 12.659 -10.901 1.00 0.00 H new ATOM 1080 N GLY A 71 8.715 14.131 -6.829 1.00 0.00 N ATOM 1081 CA GLY A 71 7.776 14.577 -5.816 1.00 0.00 C ATOM 1082 C GLY A 71 7.322 16.007 -6.036 1.00 0.00 C ATOM 1083 O GLY A 71 6.134 16.267 -6.223 1.00 0.00 O ATOM 0 H GLY A 71 9.171 14.880 -7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.907 13.919 -5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.240 14.493 -4.833 1.00 0.00 H new TER 1087 GLY A 71