USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 525 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 35:sc= 0.158 USER MOD Single : A 7 ASN : amide:sc= -2.68 K(o=-2.7,f=-0.43) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 35 ASN : amide:sc= -0.0539 X(o=-0.054,f=-0.34) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 95:sc= 1.22 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 4.045 -0.124 -1.427 1.00 42.14 N ATOM 19 CA LYS A 2 5.433 0.286 -1.248 1.00 13.54 C ATOM 20 C LYS A 2 5.978 0.933 -2.517 1.00 72.11 C ATOM 21 O LYS A 2 5.627 0.535 -3.628 1.00 42.11 O ATOM 22 CB LYS A 2 6.297 -0.917 -0.864 1.00 75.21 C ATOM 23 CG LYS A 2 6.168 -1.318 0.595 1.00 10.13 C ATOM 24 CD LYS A 2 7.529 -1.464 1.255 1.00 32.53 C ATOM 25 CE LYS A 2 7.507 -2.521 2.349 1.00 32.21 C ATOM 26 NZ LYS A 2 8.732 -3.367 2.328 1.00 5.32 N ATOM 0 HA LYS A 2 5.467 1.021 -0.444 1.00 13.54 H new ATOM 0 HB2 LYS A 2 6.023 -1.765 -1.491 1.00 75.21 H new ATOM 0 HB3 LYS A 2 7.341 -0.687 -1.078 1.00 75.21 H new ATOM 0 HG2 LYS A 2 5.582 -0.570 1.129 1.00 10.13 H new ATOM 0 HG3 LYS A 2 5.624 -2.260 0.668 1.00 10.13 H new ATOM 0 HD2 LYS A 2 8.272 -1.732 0.504 1.00 32.53 H new ATOM 0 HD3 LYS A 2 7.834 -0.507 1.678 1.00 32.53 H new ATOM 0 HE2 LYS A 2 7.417 -2.036 3.321 1.00 32.21 H new ATOM 0 HE3 LYS A 2 6.627 -3.153 2.226 1.00 32.21 H new ATOM 0 HZ1 LYS A 2 8.678 -4.075 3.088 1.00 5.32 H new ATOM 0 HZ2 LYS A 2 8.804 -3.850 1.410 1.00 5.32 H new ATOM 0 HZ3 LYS A 2 9.570 -2.768 2.471 1.00 5.32 H new ATOM 40 N VAL A 3 6.839 1.931 -2.345 1.00 14.21 N ATOM 41 CA VAL A 3 7.434 2.631 -3.477 1.00 22.21 C ATOM 42 C VAL A 3 8.954 2.661 -3.366 1.00 44.11 C ATOM 43 O VAL A 3 9.505 2.783 -2.272 1.00 2.14 O ATOM 44 CB VAL A 3 6.909 4.075 -3.583 1.00 63.15 C ATOM 45 CG1 VAL A 3 7.229 4.660 -4.950 1.00 45.15 C ATOM 46 CG2 VAL A 3 5.413 4.119 -3.313 1.00 20.23 C ATOM 0 H VAL A 3 7.140 2.273 -1.432 1.00 14.21 H new ATOM 0 HA VAL A 3 7.149 2.082 -4.375 1.00 22.21 H new ATOM 0 HB VAL A 3 7.409 4.681 -2.828 1.00 63.15 H new ATOM 0 HG11 VAL A 3 6.851 5.681 -5.007 1.00 45.15 H new ATOM 0 HG12 VAL A 3 8.309 4.664 -5.100 1.00 45.15 H new ATOM 0 HG13 VAL A 3 6.757 4.055 -5.724 1.00 45.15 H new ATOM 0 HG21 VAL A 3 5.059 5.147 -3.392 1.00 20.23 H new ATOM 0 HG22 VAL A 3 4.893 3.499 -4.043 1.00 20.23 H new ATOM 0 HG23 VAL A 3 5.213 3.743 -2.310 1.00 20.23 H new ATOM 56 N TYR A 4 9.627 2.550 -4.506 1.00 24.11 N ATOM 57 CA TYR A 4 11.085 2.563 -4.537 1.00 60.42 C ATOM 58 C TYR A 4 11.600 3.619 -5.511 1.00 31.44 C ATOM 59 O TYR A 4 11.310 3.572 -6.706 1.00 52.11 O ATOM 60 CB TYR A 4 11.620 1.185 -4.932 1.00 54.03 C ATOM 61 CG TYR A 4 12.677 1.233 -6.012 1.00 20.30 C ATOM 62 CD1 TYR A 4 13.965 1.673 -5.731 1.00 53.34 C ATOM 63 CD2 TYR A 4 12.389 0.838 -7.313 1.00 14.25 C ATOM 64 CE1 TYR A 4 14.934 1.719 -6.715 1.00 0.23 C ATOM 65 CE2 TYR A 4 13.352 0.879 -8.302 1.00 11.43 C ATOM 66 CZ TYR A 4 14.623 1.321 -7.998 1.00 71.20 C ATOM 67 OH TYR A 4 15.585 1.365 -8.981 1.00 30.30 O ATOM 0 H TYR A 4 9.186 2.450 -5.421 1.00 24.11 H new ATOM 0 HA TYR A 4 11.442 2.811 -3.538 1.00 60.42 H new ATOM 0 HB2 TYR A 4 12.036 0.699 -4.049 1.00 54.03 H new ATOM 0 HB3 TYR A 4 10.790 0.567 -5.275 1.00 54.03 H new ATOM 0 HD1 TYR A 4 14.213 1.984 -4.727 1.00 53.34 H new ATOM 0 HD2 TYR A 4 11.395 0.493 -7.555 1.00 14.25 H new ATOM 0 HE1 TYR A 4 15.930 2.065 -6.480 1.00 0.23 H new ATOM 0 HE2 TYR A 4 13.112 0.567 -9.308 1.00 11.43 H new ATOM 0 HH TYR A 4 16.457 1.140 -8.595 1.00 30.30 H new ATOM 77 N VAL A 5 12.367 4.571 -4.989 1.00 71.11 N ATOM 78 CA VAL A 5 12.925 5.639 -5.811 1.00 32.55 C ATOM 79 C VAL A 5 14.449 5.627 -5.765 1.00 54.44 C ATOM 80 O VAL A 5 15.054 6.059 -4.786 1.00 3.54 O ATOM 81 CB VAL A 5 12.419 7.020 -5.355 1.00 13.01 C ATOM 82 CG1 VAL A 5 10.967 7.219 -5.764 1.00 21.42 C ATOM 83 CG2 VAL A 5 12.584 7.178 -3.851 1.00 11.10 C ATOM 0 H VAL A 5 12.616 4.625 -4.001 1.00 71.11 H new ATOM 0 HA VAL A 5 12.594 5.459 -6.834 1.00 32.55 H new ATOM 0 HB VAL A 5 13.018 7.787 -5.846 1.00 13.01 H new ATOM 0 HG11 VAL A 5 10.627 8.200 -5.433 1.00 21.42 H new ATOM 0 HG12 VAL A 5 10.882 7.152 -6.849 1.00 21.42 H new ATOM 0 HG13 VAL A 5 10.350 6.447 -5.304 1.00 21.42 H new ATOM 0 HG21 VAL A 5 12.221 8.160 -3.546 1.00 11.10 H new ATOM 0 HG22 VAL A 5 12.011 6.405 -3.339 1.00 11.10 H new ATOM 0 HG23 VAL A 5 13.638 7.083 -3.589 1.00 11.10 H new ATOM 93 N GLY A 6 15.063 5.130 -6.834 1.00 45.14 N ATOM 94 CA GLY A 6 16.512 5.072 -6.897 1.00 2.21 C ATOM 95 C GLY A 6 17.091 6.079 -7.871 1.00 62.11 C ATOM 96 O GLY A 6 16.383 6.958 -8.360 1.00 74.41 O ATOM 0 H GLY A 6 14.583 4.767 -7.657 1.00 45.14 H new ATOM 0 HA2 GLY A 6 16.923 5.254 -5.904 1.00 2.21 H new ATOM 0 HA3 GLY A 6 16.820 4.069 -7.191 1.00 2.21 H new ATOM 100 N ASN A 7 18.384 5.952 -8.152 1.00 71.25 N ATOM 101 CA ASN A 7 19.059 6.860 -9.073 1.00 74.42 C ATOM 102 C ASN A 7 19.023 8.292 -8.548 1.00 63.25 C ATOM 103 O ASN A 7 18.381 9.164 -9.135 1.00 43.02 O ATOM 104 CB ASN A 7 18.406 6.795 -10.456 1.00 23.13 C ATOM 105 CG ASN A 7 18.696 5.489 -11.171 1.00 40.51 C ATOM 106 OD1 ASN A 7 19.269 5.480 -12.261 1.00 33.22 O ATOM 107 ND2 ASN A 7 18.300 4.379 -10.559 1.00 41.34 N ATOM 0 H ASN A 7 18.985 5.230 -7.755 1.00 71.25 H new ATOM 0 HA ASN A 7 20.100 6.548 -9.155 1.00 74.42 H new ATOM 0 HB2 ASN A 7 17.328 6.918 -10.352 1.00 23.13 H new ATOM 0 HB3 ASN A 7 18.764 7.626 -11.063 1.00 23.13 H new ATOM 0 HD21 ASN A 7 18.467 3.471 -10.992 1.00 41.34 H new ATOM 0 HD22 ASN A 7 17.829 4.435 -9.656 1.00 41.34 H new ATOM 114 N LEU A 8 19.718 8.527 -7.441 1.00 12.32 N ATOM 115 CA LEU A 8 19.767 9.854 -6.836 1.00 43.14 C ATOM 116 C LEU A 8 21.170 10.446 -6.936 1.00 33.34 C ATOM 117 O LEU A 8 22.062 10.086 -6.169 1.00 60.31 O ATOM 118 CB LEU A 8 19.333 9.785 -5.371 1.00 50.22 C ATOM 119 CG LEU A 8 18.082 8.956 -5.080 1.00 73.24 C ATOM 120 CD1 LEU A 8 18.036 8.554 -3.614 1.00 43.33 C ATOM 121 CD2 LEU A 8 16.828 9.729 -5.462 1.00 43.55 C ATOM 0 H LEU A 8 20.255 7.817 -6.944 1.00 12.32 H new ATOM 0 HA LEU A 8 19.080 10.501 -7.381 1.00 43.14 H new ATOM 0 HB2 LEU A 8 20.158 9.378 -4.787 1.00 50.22 H new ATOM 0 HB3 LEU A 8 19.162 10.801 -5.015 1.00 50.22 H new ATOM 0 HG LEU A 8 18.123 8.049 -5.683 1.00 73.24 H new ATOM 0 HD11 LEU A 8 17.138 7.965 -3.426 1.00 43.33 H new ATOM 0 HD12 LEU A 8 18.917 7.960 -3.372 1.00 43.33 H new ATOM 0 HD13 LEU A 8 18.019 9.449 -2.992 1.00 43.33 H new ATOM 0 HD21 LEU A 8 15.948 9.123 -5.248 1.00 43.55 H new ATOM 0 HD22 LEU A 8 16.781 10.653 -4.886 1.00 43.55 H new ATOM 0 HD23 LEU A 8 16.856 9.965 -6.526 1.00 43.55 H new ATOM 161 N ALA A 12 18.590 15.436 -7.163 1.00 0.33 N ATOM 162 CA ALA A 12 17.300 14.818 -6.884 1.00 12.23 C ATOM 163 C ALA A 12 17.425 13.750 -5.803 1.00 21.12 C ATOM 164 O ALA A 12 17.930 12.656 -6.053 1.00 4.43 O ATOM 165 CB ALA A 12 16.715 14.220 -8.155 1.00 24.23 C ATOM 0 HA ALA A 12 16.626 15.592 -6.517 1.00 12.23 H new ATOM 0 HB1 ALA A 12 15.752 13.762 -7.932 1.00 24.23 H new ATOM 0 HB2 ALA A 12 16.579 15.006 -8.898 1.00 24.23 H new ATOM 0 HB3 ALA A 12 17.394 13.463 -8.547 1.00 24.23 H new ATOM 171 N GLY A 13 16.962 14.075 -4.599 1.00 60.34 N ATOM 172 CA GLY A 13 17.033 13.132 -3.498 1.00 53.22 C ATOM 173 C GLY A 13 15.779 13.140 -2.647 1.00 14.33 C ATOM 174 O GLY A 13 14.672 12.961 -3.156 1.00 30.03 O ATOM 0 H GLY A 13 16.539 14.974 -4.367 1.00 60.34 H new ATOM 0 HA2 GLY A 13 17.194 12.129 -3.893 1.00 53.22 H new ATOM 0 HA3 GLY A 13 17.894 13.371 -2.874 1.00 53.22 H new ATOM 178 N LYS A 14 15.950 13.347 -1.345 1.00 43.25 N ATOM 179 CA LYS A 14 14.824 13.378 -0.420 1.00 70.30 C ATOM 180 C LYS A 14 13.866 14.513 -0.766 1.00 72.13 C ATOM 181 O LYS A 14 12.652 14.319 -0.821 1.00 22.11 O ATOM 182 CB LYS A 14 15.323 13.538 1.018 1.00 60.02 C ATOM 183 CG LYS A 14 14.265 13.239 2.066 1.00 60.13 C ATOM 184 CD LYS A 14 13.842 14.497 2.806 1.00 21.40 C ATOM 185 CE LYS A 14 13.252 14.169 4.169 1.00 12.20 C ATOM 186 NZ LYS A 14 12.682 15.375 4.831 1.00 4.51 N ATOM 0 H LYS A 14 16.859 13.496 -0.907 1.00 43.25 H new ATOM 0 HA LYS A 14 14.287 12.434 -0.509 1.00 70.30 H new ATOM 0 HB2 LYS A 14 16.174 12.875 1.174 1.00 60.02 H new ATOM 0 HB3 LYS A 14 15.683 14.557 1.158 1.00 60.02 H new ATOM 0 HG2 LYS A 14 13.396 12.787 1.588 1.00 60.13 H new ATOM 0 HG3 LYS A 14 14.652 12.510 2.778 1.00 60.13 H new ATOM 0 HD2 LYS A 14 14.702 15.155 2.929 1.00 21.40 H new ATOM 0 HD3 LYS A 14 13.108 15.041 2.212 1.00 21.40 H new ATOM 0 HE2 LYS A 14 12.473 13.415 4.056 1.00 12.20 H new ATOM 0 HE3 LYS A 14 14.025 13.737 4.805 1.00 12.20 H new ATOM 0 HZ1 LYS A 14 12.290 15.110 5.757 1.00 4.51 H new ATOM 0 HZ2 LYS A 14 13.430 16.085 4.962 1.00 4.51 H new ATOM 0 HZ3 LYS A 14 11.927 15.773 4.237 1.00 4.51 H new ATOM 200 N GLY A 15 14.420 15.699 -1.001 1.00 20.41 N ATOM 201 CA GLY A 15 13.600 16.847 -1.340 1.00 72.34 C ATOM 202 C GLY A 15 12.859 16.663 -2.650 1.00 41.11 C ATOM 203 O GLY A 15 11.688 17.022 -2.763 1.00 13.40 O ATOM 0 H GLY A 15 15.422 15.885 -0.963 1.00 20.41 H new ATOM 0 HA2 GLY A 15 12.880 17.024 -0.541 1.00 72.34 H new ATOM 0 HA3 GLY A 15 14.230 17.734 -1.404 1.00 72.34 H new ATOM 207 N GLU A 16 13.544 16.104 -3.642 1.00 64.25 N ATOM 208 CA GLU A 16 12.943 15.876 -4.951 1.00 45.25 C ATOM 209 C GLU A 16 11.763 14.915 -4.848 1.00 53.14 C ATOM 210 O GLU A 16 10.647 15.238 -5.258 1.00 13.44 O ATOM 211 CB GLU A 16 13.984 15.320 -5.925 1.00 44.04 C ATOM 212 CG GLU A 16 14.024 16.051 -7.257 1.00 33.21 C ATOM 213 CD GLU A 16 14.914 17.278 -7.223 1.00 13.02 C ATOM 214 OE1 GLU A 16 14.994 17.924 -6.157 1.00 62.22 O ATOM 215 OE2 GLU A 16 15.530 17.592 -8.263 1.00 10.23 O ATOM 0 H GLU A 16 14.515 15.801 -3.565 1.00 64.25 H new ATOM 0 HA GLU A 16 12.579 16.832 -5.326 1.00 45.25 H new ATOM 0 HB2 GLU A 16 14.969 15.374 -5.461 1.00 44.04 H new ATOM 0 HB3 GLU A 16 13.774 14.266 -6.105 1.00 44.04 H new ATOM 0 HG2 GLU A 16 14.380 15.370 -8.030 1.00 33.21 H new ATOM 0 HG3 GLU A 16 13.013 16.348 -7.535 1.00 33.21 H new ATOM 222 N LEU A 17 12.017 13.732 -4.300 1.00 14.33 N ATOM 223 CA LEU A 17 10.976 12.722 -4.143 1.00 15.44 C ATOM 224 C LEU A 17 9.880 13.211 -3.200 1.00 45.30 C ATOM 225 O LEU A 17 8.714 12.846 -3.346 1.00 45.45 O ATOM 226 CB LEU A 17 11.577 11.420 -3.612 1.00 30.10 C ATOM 227 CG LEU A 17 11.759 11.333 -2.096 1.00 50.13 C ATOM 228 CD1 LEU A 17 10.514 10.755 -1.441 1.00 40.33 C ATOM 229 CD2 LEU A 17 12.982 10.495 -1.753 1.00 41.31 C ATOM 0 H LEU A 17 12.935 13.448 -3.957 1.00 14.33 H new ATOM 0 HA LEU A 17 10.533 12.538 -5.122 1.00 15.44 H new ATOM 0 HB2 LEU A 17 10.941 10.594 -3.929 1.00 30.10 H new ATOM 0 HB3 LEU A 17 12.549 11.273 -4.083 1.00 30.10 H new ATOM 0 HG LEU A 17 11.913 12.340 -1.710 1.00 50.13 H new ATOM 0 HD11 LEU A 17 10.662 10.701 -0.362 1.00 40.33 H new ATOM 0 HD12 LEU A 17 9.658 11.395 -1.658 1.00 40.33 H new ATOM 0 HD13 LEU A 17 10.328 9.755 -1.832 1.00 40.33 H new ATOM 0 HD21 LEU A 17 13.096 10.444 -0.670 1.00 41.31 H new ATOM 0 HD22 LEU A 17 12.857 9.489 -2.153 1.00 41.31 H new ATOM 0 HD23 LEU A 17 13.870 10.951 -2.190 1.00 41.31 H new ATOM 241 N GLU A 18 10.264 14.040 -2.234 1.00 45.44 N ATOM 242 CA GLU A 18 9.314 14.580 -1.269 1.00 40.12 C ATOM 243 C GLU A 18 8.283 15.468 -1.959 1.00 54.13 C ATOM 244 O GLU A 18 7.077 15.278 -1.797 1.00 41.44 O ATOM 245 CB GLU A 18 10.048 15.377 -0.188 1.00 73.04 C ATOM 246 CG GLU A 18 9.118 16.064 0.798 1.00 62.20 C ATOM 247 CD GLU A 18 8.300 15.079 1.611 1.00 3.42 C ATOM 248 OE1 GLU A 18 8.797 14.618 2.659 1.00 22.45 O ATOM 249 OE2 GLU A 18 7.162 14.771 1.199 1.00 44.23 O ATOM 0 H GLU A 18 11.226 14.352 -2.099 1.00 45.44 H new ATOM 0 HA GLU A 18 8.794 13.743 -0.803 1.00 40.12 H new ATOM 0 HB2 GLU A 18 10.712 14.707 0.358 1.00 73.04 H new ATOM 0 HB3 GLU A 18 10.676 16.128 -0.666 1.00 73.04 H new ATOM 0 HG2 GLU A 18 9.706 16.687 1.473 1.00 62.20 H new ATOM 0 HG3 GLU A 18 8.446 16.728 0.255 1.00 62.20 H new ATOM 256 N ARG A 19 8.766 16.438 -2.729 1.00 32.02 N ATOM 257 CA ARG A 19 7.887 17.357 -3.442 1.00 70.32 C ATOM 258 C ARG A 19 7.047 16.613 -4.476 1.00 71.23 C ATOM 259 O ARG A 19 5.850 16.864 -4.616 1.00 4.43 O ATOM 260 CB ARG A 19 8.707 18.452 -4.128 1.00 34.45 C ATOM 261 CG ARG A 19 7.871 19.398 -4.974 1.00 2.32 C ATOM 262 CD ARG A 19 7.944 20.824 -4.451 1.00 11.32 C ATOM 263 NE ARG A 19 7.524 20.917 -3.055 1.00 43.50 N ATOM 264 CZ ARG A 19 7.694 22.002 -2.308 1.00 12.45 C ATOM 265 NH1 ARG A 19 8.271 23.081 -2.819 1.00 72.35 N ATOM 266 NH2 ARG A 19 7.285 22.010 -1.045 1.00 42.31 N ATOM 0 H ARG A 19 9.761 16.608 -2.875 1.00 32.02 H new ATOM 0 HA ARG A 19 7.216 17.816 -2.716 1.00 70.32 H new ATOM 0 HB2 ARG A 19 9.236 19.028 -3.369 1.00 34.45 H new ATOM 0 HB3 ARG A 19 9.464 17.986 -4.759 1.00 34.45 H new ATOM 0 HG2 ARG A 19 8.220 19.369 -6.006 1.00 2.32 H new ATOM 0 HG3 ARG A 19 6.834 19.064 -4.979 1.00 2.32 H new ATOM 0 HD2 ARG A 19 8.965 21.194 -4.548 1.00 11.32 H new ATOM 0 HD3 ARG A 19 7.312 21.468 -5.063 1.00 11.32 H new ATOM 0 HE ARG A 19 7.076 20.105 -2.631 1.00 43.50 H new ATOM 0 HH11 ARG A 19 8.586 23.080 -3.789 1.00 72.35 H new ATOM 0 HH12 ARG A 19 8.400 23.912 -2.242 1.00 72.35 H new ATOM 0 HH21 ARG A 19 6.840 21.183 -0.648 1.00 42.31 H new ATOM 0 HH22 ARG A 19 7.416 22.844 -0.472 1.00 42.31 H new ATOM 280 N ALA A 20 7.683 15.696 -5.199 1.00 54.40 N ATOM 281 CA ALA A 20 6.994 14.915 -6.219 1.00 0.21 C ATOM 282 C ALA A 20 5.880 14.074 -5.606 1.00 73.54 C ATOM 283 O ALA A 20 4.700 14.287 -5.888 1.00 3.10 O ATOM 284 CB ALA A 20 7.982 14.027 -6.960 1.00 43.02 C ATOM 0 H ALA A 20 8.674 15.476 -5.097 1.00 54.40 H new ATOM 0 HA ALA A 20 6.542 15.608 -6.929 1.00 0.21 H new ATOM 0 HB1 ALA A 20 7.454 13.449 -7.719 1.00 43.02 H new ATOM 0 HB2 ALA A 20 8.740 14.647 -7.438 1.00 43.02 H new ATOM 0 HB3 ALA A 20 8.461 13.348 -6.255 1.00 43.02 H new ATOM 290 N PHE A 21 6.261 13.116 -4.768 1.00 32.51 N ATOM 291 CA PHE A 21 5.293 12.240 -4.117 1.00 3.13 C ATOM 292 C PHE A 21 4.182 13.052 -3.458 1.00 1.21 C ATOM 293 O PHE A 21 2.999 12.759 -3.630 1.00 10.23 O ATOM 294 CB PHE A 21 5.988 11.364 -3.072 1.00 43.31 C ATOM 295 CG PHE A 21 6.642 10.143 -3.653 1.00 10.12 C ATOM 296 CD1 PHE A 21 7.688 10.263 -4.553 1.00 43.22 C ATOM 297 CD2 PHE A 21 6.211 8.875 -3.298 1.00 14.20 C ATOM 298 CE1 PHE A 21 8.291 9.141 -5.090 1.00 31.04 C ATOM 299 CE2 PHE A 21 6.810 7.749 -3.831 1.00 13.22 C ATOM 300 CZ PHE A 21 7.852 7.883 -4.727 1.00 70.51 C ATOM 0 H PHE A 21 7.233 12.926 -4.523 1.00 32.51 H new ATOM 0 HA PHE A 21 4.849 11.601 -4.880 1.00 3.13 H new ATOM 0 HB2 PHE A 21 6.741 11.958 -2.554 1.00 43.31 H new ATOM 0 HB3 PHE A 21 5.257 11.054 -2.325 1.00 43.31 H new ATOM 0 HD1 PHE A 21 8.037 11.245 -4.839 1.00 43.22 H new ATOM 0 HD2 PHE A 21 5.397 8.765 -2.596 1.00 14.20 H new ATOM 0 HE1 PHE A 21 9.104 9.248 -5.792 1.00 31.04 H new ATOM 0 HE2 PHE A 21 6.464 6.766 -3.547 1.00 13.22 H new ATOM 0 HZ PHE A 21 8.323 7.005 -5.143 1.00 70.51 H new ATOM 310 N SER A 22 4.572 14.074 -2.703 1.00 3.04 N ATOM 311 CA SER A 22 3.610 14.927 -2.014 1.00 25.42 C ATOM 312 C SER A 22 2.682 15.614 -3.011 1.00 4.13 C ATOM 313 O SER A 22 1.471 15.682 -2.803 1.00 73.00 O ATOM 314 CB SER A 22 4.339 15.975 -1.171 1.00 15.14 C ATOM 315 OG SER A 22 3.426 16.718 -0.381 1.00 30.44 O ATOM 0 H SER A 22 5.547 14.332 -2.553 1.00 3.04 H new ATOM 0 HA SER A 22 3.008 14.299 -1.358 1.00 25.42 H new ATOM 0 HB2 SER A 22 5.068 15.485 -0.526 1.00 15.14 H new ATOM 0 HB3 SER A 22 4.893 16.650 -1.823 1.00 15.14 H new ATOM 0 HG SER A 22 3.916 17.380 0.150 1.00 30.44 H new ATOM 321 N TYR A 23 3.260 16.123 -4.093 1.00 62.32 N ATOM 322 CA TYR A 23 2.487 16.808 -5.122 1.00 73.41 C ATOM 323 C TYR A 23 1.380 15.907 -5.662 1.00 31.23 C ATOM 324 O TYR A 23 0.244 16.344 -5.849 1.00 21.33 O ATOM 325 CB TYR A 23 3.400 17.252 -6.265 1.00 44.33 C ATOM 326 CG TYR A 23 3.843 18.694 -6.161 1.00 12.41 C ATOM 327 CD1 TYR A 23 4.222 19.239 -4.940 1.00 70.13 C ATOM 328 CD2 TYR A 23 3.883 19.512 -7.284 1.00 14.24 C ATOM 329 CE1 TYR A 23 4.626 20.556 -4.840 1.00 40.13 C ATOM 330 CE2 TYR A 23 4.287 20.830 -7.193 1.00 52.24 C ATOM 331 CZ TYR A 23 4.657 21.348 -5.970 1.00 30.54 C ATOM 332 OH TYR A 23 5.060 22.660 -5.874 1.00 63.24 O ATOM 0 H TYR A 23 4.261 16.074 -4.280 1.00 62.32 H new ATOM 0 HA TYR A 23 2.028 17.687 -4.670 1.00 73.41 H new ATOM 0 HB2 TYR A 23 4.281 16.611 -6.285 1.00 44.33 H new ATOM 0 HB3 TYR A 23 2.879 17.108 -7.212 1.00 44.33 H new ATOM 0 HD1 TYR A 23 4.200 18.622 -4.054 1.00 70.13 H new ATOM 0 HD2 TYR A 23 3.593 19.111 -8.244 1.00 14.24 H new ATOM 0 HE1 TYR A 23 4.916 20.964 -3.883 1.00 40.13 H new ATOM 0 HE2 TYR A 23 4.313 21.452 -8.076 1.00 52.24 H new ATOM 0 HH TYR A 23 5.026 23.078 -6.760 1.00 63.24 H new ATOM 342 N TYR A 24 1.720 14.647 -5.909 1.00 70.23 N ATOM 343 CA TYR A 24 0.757 13.683 -6.429 1.00 51.30 C ATOM 344 C TYR A 24 -0.257 13.295 -5.358 1.00 33.33 C ATOM 345 O TYR A 24 -1.423 13.037 -5.655 1.00 20.45 O ATOM 346 CB TYR A 24 1.478 12.435 -6.941 1.00 41.30 C ATOM 347 CG TYR A 24 2.007 12.577 -8.351 1.00 35.24 C ATOM 348 CD1 TYR A 24 3.067 13.428 -8.633 1.00 44.54 C ATOM 349 CD2 TYR A 24 1.445 11.860 -9.400 1.00 34.13 C ATOM 350 CE1 TYR A 24 3.553 13.562 -9.920 1.00 23.42 C ATOM 351 CE2 TYR A 24 1.925 11.986 -10.689 1.00 32.42 C ATOM 352 CZ TYR A 24 2.979 12.838 -10.944 1.00 20.22 C ATOM 353 OH TYR A 24 3.459 12.967 -12.227 1.00 23.11 O ATOM 0 H TYR A 24 2.655 14.269 -5.758 1.00 70.23 H new ATOM 0 HA TYR A 24 0.224 14.151 -7.256 1.00 51.30 H new ATOM 0 HB2 TYR A 24 2.307 12.205 -6.272 1.00 41.30 H new ATOM 0 HB3 TYR A 24 0.793 11.588 -6.902 1.00 41.30 H new ATOM 0 HD1 TYR A 24 3.520 13.995 -7.833 1.00 44.54 H new ATOM 0 HD2 TYR A 24 0.619 11.193 -9.204 1.00 34.13 H new ATOM 0 HE1 TYR A 24 4.377 14.230 -10.123 1.00 23.42 H new ATOM 0 HE2 TYR A 24 1.477 11.420 -11.493 1.00 32.42 H new ATOM 0 HH TYR A 24 4.415 13.181 -12.199 1.00 23.11 H new ATOM 363 N GLY A 25 0.196 13.256 -4.108 1.00 45.04 N ATOM 364 CA GLY A 25 -0.683 12.899 -3.011 1.00 22.15 C ATOM 365 C GLY A 25 0.076 12.614 -1.729 1.00 73.14 C ATOM 366 O GLY A 25 1.275 12.334 -1.742 1.00 13.32 O ATOM 0 H GLY A 25 1.157 13.466 -3.836 1.00 45.04 H new ATOM 0 HA2 GLY A 25 -1.391 13.710 -2.838 1.00 22.15 H new ATOM 0 HA3 GLY A 25 -1.266 12.020 -3.288 1.00 22.15 H new ATOM 370 N PRO A 26 -0.630 12.685 -0.591 1.00 1.20 N ATOM 371 CA PRO A 26 -0.035 12.437 0.726 1.00 54.03 C ATOM 372 C PRO A 26 0.331 10.971 0.929 1.00 34.25 C ATOM 373 O PRO A 26 -0.545 10.111 1.037 1.00 22.02 O ATOM 374 CB PRO A 26 -1.142 12.852 1.699 1.00 41.25 C ATOM 375 CG PRO A 26 -2.406 12.690 0.926 1.00 24.04 C ATOM 376 CD PRO A 26 -2.063 13.013 -0.502 1.00 3.24 C ATOM 0 HA PRO A 26 0.898 12.984 0.862 1.00 54.03 H new ATOM 0 HB2 PRO A 26 -1.140 12.226 2.591 1.00 41.25 H new ATOM 0 HB3 PRO A 26 -1.011 13.882 2.032 1.00 41.25 H new ATOM 0 HG2 PRO A 26 -2.790 11.674 1.015 1.00 24.04 H new ATOM 0 HG3 PRO A 26 -3.181 13.358 1.302 1.00 24.04 H new ATOM 0 HD2 PRO A 26 -2.655 12.422 -1.201 1.00 3.24 H new ATOM 0 HD3 PRO A 26 -2.250 14.062 -0.733 1.00 3.24 H new ATOM 384 N LEU A 27 1.628 10.692 0.982 1.00 22.30 N ATOM 385 CA LEU A 27 2.110 9.328 1.174 1.00 44.23 C ATOM 386 C LEU A 27 2.194 8.984 2.657 1.00 23.23 C ATOM 387 O LEU A 27 1.850 9.798 3.514 1.00 12.01 O ATOM 388 CB LEU A 27 3.482 9.155 0.520 1.00 63.21 C ATOM 389 CG LEU A 27 4.446 10.334 0.659 1.00 21.32 C ATOM 390 CD1 LEU A 27 4.625 10.707 2.123 1.00 70.24 C ATOM 391 CD2 LEU A 27 5.789 10.003 0.023 1.00 15.13 C ATOM 0 H LEU A 27 2.365 11.391 0.895 1.00 22.30 H new ATOM 0 HA LEU A 27 1.401 8.648 0.702 1.00 44.23 H new ATOM 0 HB2 LEU A 27 3.957 8.271 0.947 1.00 63.21 H new ATOM 0 HB3 LEU A 27 3.334 8.956 -0.541 1.00 63.21 H new ATOM 0 HG LEU A 27 4.020 11.190 0.136 1.00 21.32 H new ATOM 0 HD11 LEU A 27 5.314 11.548 2.203 1.00 70.24 H new ATOM 0 HD12 LEU A 27 3.661 10.987 2.548 1.00 70.24 H new ATOM 0 HD13 LEU A 27 5.028 9.854 2.669 1.00 70.24 H new ATOM 0 HD21 LEU A 27 6.462 10.853 0.131 1.00 15.13 H new ATOM 0 HD22 LEU A 27 6.221 9.133 0.517 1.00 15.13 H new ATOM 0 HD23 LEU A 27 5.647 9.786 -1.036 1.00 15.13 H new ATOM 403 N ARG A 28 2.656 7.773 2.953 1.00 0.33 N ATOM 404 CA ARG A 28 2.786 7.322 4.333 1.00 23.43 C ATOM 405 C ARG A 28 4.065 7.865 4.965 1.00 71.23 C ATOM 406 O ARG A 28 4.031 8.481 6.030 1.00 3.24 O ATOM 407 CB ARG A 28 2.784 5.793 4.394 1.00 1.15 C ATOM 408 CG ARG A 28 2.979 5.239 5.796 1.00 10.35 C ATOM 409 CD ARG A 28 1.896 5.730 6.745 1.00 43.22 C ATOM 410 NE ARG A 28 1.896 4.991 8.005 1.00 51.45 N ATOM 411 CZ ARG A 28 1.342 3.793 8.154 1.00 50.33 C ATOM 412 NH1 ARG A 28 0.747 3.202 7.127 1.00 64.32 N ATOM 413 NH2 ARG A 28 1.383 3.184 9.332 1.00 54.32 N ATOM 0 H ARG A 28 2.946 7.087 2.256 1.00 0.33 H new ATOM 0 HA ARG A 28 1.933 7.703 4.895 1.00 23.43 H new ATOM 0 HB2 ARG A 28 1.840 5.423 3.994 1.00 1.15 H new ATOM 0 HB3 ARG A 28 3.575 5.411 3.748 1.00 1.15 H new ATOM 0 HG2 ARG A 28 2.968 4.150 5.763 1.00 10.35 H new ATOM 0 HG3 ARG A 28 3.957 5.537 6.173 1.00 10.35 H new ATOM 0 HD2 ARG A 28 2.045 6.791 6.947 1.00 43.22 H new ATOM 0 HD3 ARG A 28 0.922 5.630 6.266 1.00 43.22 H new ATOM 0 HE ARG A 28 2.346 5.418 8.815 1.00 51.45 H new ATOM 0 HH11 ARG A 28 0.714 3.667 6.220 1.00 64.32 H new ATOM 0 HH12 ARG A 28 0.322 2.282 7.244 1.00 64.32 H new ATOM 0 HH21 ARG A 28 1.840 3.636 10.124 1.00 54.32 H new ATOM 0 HH22 ARG A 28 0.957 2.264 9.446 1.00 54.32 H new ATOM 427 N THR A 29 5.192 7.631 4.300 1.00 5.42 N ATOM 428 CA THR A 29 6.482 8.095 4.796 1.00 10.13 C ATOM 429 C THR A 29 7.557 7.983 3.722 1.00 62.04 C ATOM 430 O THR A 29 7.370 7.307 2.710 1.00 51.12 O ATOM 431 CB THR A 29 6.927 7.297 6.037 1.00 53.24 C ATOM 432 OG1 THR A 29 6.298 6.011 6.043 1.00 71.32 O ATOM 433 CG2 THR A 29 6.577 8.044 7.315 1.00 40.33 C ATOM 0 H THR A 29 5.238 7.123 3.417 1.00 5.42 H new ATOM 0 HA THR A 29 6.356 9.142 5.072 1.00 10.13 H new ATOM 0 HB THR A 29 8.009 7.172 5.993 1.00 53.24 H new ATOM 0 HG1 THR A 29 6.587 5.509 6.834 1.00 71.32 H new ATOM 0 HG21 THR A 29 6.901 7.461 8.177 1.00 40.33 H new ATOM 0 HG22 THR A 29 7.080 9.011 7.321 1.00 40.33 H new ATOM 0 HG23 THR A 29 5.499 8.196 7.364 1.00 40.33 H new ATOM 441 N VAL A 30 8.685 8.649 3.948 1.00 40.35 N ATOM 442 CA VAL A 30 9.792 8.623 2.999 1.00 72.22 C ATOM 443 C VAL A 30 11.076 8.143 3.666 1.00 71.43 C ATOM 444 O VAL A 30 11.248 8.282 4.877 1.00 50.25 O ATOM 445 CB VAL A 30 10.036 10.013 2.382 1.00 74.23 C ATOM 446 CG1 VAL A 30 8.763 10.543 1.740 1.00 74.02 C ATOM 447 CG2 VAL A 30 10.554 10.980 3.436 1.00 74.33 C ATOM 0 H VAL A 30 8.856 9.213 4.780 1.00 40.35 H new ATOM 0 HA VAL A 30 9.514 7.927 2.208 1.00 72.22 H new ATOM 0 HB VAL A 30 10.794 9.918 1.605 1.00 74.23 H new ATOM 0 HG11 VAL A 30 8.955 11.526 1.309 1.00 74.02 H new ATOM 0 HG12 VAL A 30 8.440 9.860 0.955 1.00 74.02 H new ATOM 0 HG13 VAL A 30 7.981 10.624 2.495 1.00 74.02 H new ATOM 0 HG21 VAL A 30 10.721 11.957 2.983 1.00 74.33 H new ATOM 0 HG22 VAL A 30 9.821 11.072 4.237 1.00 74.33 H new ATOM 0 HG23 VAL A 30 11.492 10.605 3.845 1.00 74.33 H new ATOM 457 N TRP A 31 11.974 7.577 2.868 1.00 43.13 N ATOM 458 CA TRP A 31 13.244 7.076 3.381 1.00 44.20 C ATOM 459 C TRP A 31 14.323 7.124 2.305 1.00 44.41 C ATOM 460 O TRP A 31 14.031 7.011 1.114 1.00 34.53 O ATOM 461 CB TRP A 31 13.082 5.644 3.894 1.00 54.42 C ATOM 462 CG TRP A 31 13.728 5.413 5.226 1.00 2.50 C ATOM 463 CD1 TRP A 31 13.222 5.744 6.451 1.00 65.12 C ATOM 464 CD2 TRP A 31 15.001 4.804 5.467 1.00 61.34 C ATOM 465 NE1 TRP A 31 14.104 5.376 7.438 1.00 4.33 N ATOM 466 CE2 TRP A 31 15.203 4.797 6.861 1.00 72.43 C ATOM 467 CE3 TRP A 31 15.989 4.261 4.640 1.00 10.24 C ATOM 468 CZ2 TRP A 31 16.352 4.269 7.444 1.00 41.45 C ATOM 469 CZ3 TRP A 31 17.129 3.739 5.220 1.00 22.44 C ATOM 470 CH2 TRP A 31 17.303 3.745 6.611 1.00 70.12 C ATOM 0 H TRP A 31 11.846 7.453 1.864 1.00 43.13 H new ATOM 0 HA TRP A 31 13.552 7.718 4.207 1.00 44.20 H new ATOM 0 HB2 TRP A 31 12.020 5.410 3.968 1.00 54.42 H new ATOM 0 HB3 TRP A 31 13.510 4.955 3.166 1.00 54.42 H new ATOM 0 HD1 TRP A 31 12.269 6.224 6.619 1.00 65.12 H new ATOM 0 HE1 TRP A 31 13.963 5.512 8.439 1.00 4.33 H new ATOM 0 HE3 TRP A 31 15.863 4.250 3.567 1.00 10.24 H new ATOM 0 HZ2 TRP A 31 16.488 4.273 8.515 1.00 41.45 H new ATOM 0 HZ3 TRP A 31 17.900 3.319 4.591 1.00 22.44 H new ATOM 0 HH2 TRP A 31 18.205 3.328 7.034 1.00 70.12 H new ATOM 481 N ILE A 32 15.571 7.293 2.731 1.00 54.32 N ATOM 482 CA ILE A 32 16.693 7.355 1.802 1.00 34.24 C ATOM 483 C ILE A 32 17.817 6.421 2.237 1.00 44.42 C ATOM 484 O ILE A 32 18.081 6.263 3.428 1.00 0.04 O ATOM 485 CB ILE A 32 17.246 8.787 1.683 1.00 65.11 C ATOM 486 CG1 ILE A 32 16.099 9.798 1.631 1.00 43.13 C ATOM 487 CG2 ILE A 32 18.127 8.913 0.449 1.00 63.11 C ATOM 488 CD1 ILE A 32 15.167 9.594 0.457 1.00 32.12 C ATOM 0 H ILE A 32 15.830 7.389 3.713 1.00 54.32 H new ATOM 0 HA ILE A 32 16.317 7.038 0.829 1.00 34.24 H new ATOM 0 HB ILE A 32 17.853 9.001 2.563 1.00 65.11 H new ATOM 0 HG12 ILE A 32 15.525 9.733 2.556 1.00 43.13 H new ATOM 0 HG13 ILE A 32 16.514 10.805 1.584 1.00 43.13 H new ATOM 0 HG21 ILE A 32 18.511 9.931 0.378 1.00 63.11 H new ATOM 0 HG22 ILE A 32 18.961 8.215 0.525 1.00 63.11 H new ATOM 0 HG23 ILE A 32 17.541 8.683 -0.441 1.00 63.11 H new ATOM 0 HD11 ILE A 32 14.378 10.346 0.484 1.00 32.12 H new ATOM 0 HD12 ILE A 32 15.727 9.689 -0.473 1.00 32.12 H new ATOM 0 HD13 ILE A 32 14.723 8.600 0.513 1.00 32.12 H new ATOM 500 N ALA A 33 18.479 5.807 1.262 1.00 73.34 N ATOM 501 CA ALA A 33 19.578 4.892 1.543 1.00 61.13 C ATOM 502 C ALA A 33 20.921 5.525 1.196 1.00 4.01 C ATOM 503 O ALA A 33 21.280 5.640 0.024 1.00 0.20 O ATOM 504 CB ALA A 33 19.392 3.591 0.775 1.00 12.33 C ATOM 0 H ALA A 33 18.273 5.927 0.270 1.00 73.34 H new ATOM 0 HA ALA A 33 19.573 4.675 2.611 1.00 61.13 H new ATOM 0 HB1 ALA A 33 20.220 2.917 0.995 1.00 12.33 H new ATOM 0 HB2 ALA A 33 18.454 3.123 1.074 1.00 12.33 H new ATOM 0 HB3 ALA A 33 19.368 3.800 -0.294 1.00 12.33 H new ATOM 510 N ARG A 34 21.660 5.935 2.222 1.00 33.45 N ATOM 511 CA ARG A 34 22.963 6.558 2.026 1.00 52.03 C ATOM 512 C ARG A 34 24.019 5.513 1.678 1.00 74.24 C ATOM 513 O ARG A 34 25.017 5.818 1.028 1.00 64.15 O ATOM 514 CB ARG A 34 23.381 7.322 3.283 1.00 4.21 C ATOM 515 CG ARG A 34 23.574 8.812 3.054 1.00 4.41 C ATOM 516 CD ARG A 34 24.433 9.437 4.143 1.00 34.22 C ATOM 517 NE ARG A 34 23.659 10.322 5.010 1.00 33.50 N ATOM 518 CZ ARG A 34 24.062 10.707 6.215 1.00 24.35 C ATOM 519 NH1 ARG A 34 25.226 10.287 6.694 1.00 14.41 N ATOM 520 NH2 ARG A 34 23.302 11.513 6.945 1.00 42.53 N ATOM 0 H ARG A 34 21.378 5.847 3.198 1.00 33.45 H new ATOM 0 HA ARG A 34 22.881 7.258 1.194 1.00 52.03 H new ATOM 0 HB2 ARG A 34 22.625 7.177 4.055 1.00 4.21 H new ATOM 0 HB3 ARG A 34 24.310 6.898 3.663 1.00 4.21 H new ATOM 0 HG2 ARG A 34 24.041 8.974 2.083 1.00 4.41 H new ATOM 0 HG3 ARG A 34 22.603 9.306 3.027 1.00 4.41 H new ATOM 0 HD2 ARG A 34 24.888 8.649 4.743 1.00 34.22 H new ATOM 0 HD3 ARG A 34 25.247 9.999 3.685 1.00 34.22 H new ATOM 0 HE ARG A 34 22.759 10.663 4.671 1.00 33.50 H new ATOM 0 HH11 ARG A 34 25.813 9.667 6.136 1.00 14.41 H new ATOM 0 HH12 ARG A 34 25.534 10.584 7.620 1.00 14.41 H new ATOM 0 HH21 ARG A 34 22.406 11.838 6.581 1.00 42.53 H new ATOM 0 HH22 ARG A 34 23.613 11.808 7.871 1.00 42.53 H new ATOM 534 N ASN A 35 23.790 4.279 2.116 1.00 55.11 N ATOM 535 CA ASN A 35 24.721 3.189 1.852 1.00 64.23 C ATOM 536 C ASN A 35 25.096 3.139 0.374 1.00 53.35 C ATOM 537 O ASN A 35 26.260 3.273 -0.002 1.00 45.13 O ATOM 538 CB ASN A 35 24.110 1.853 2.280 1.00 64.03 C ATOM 539 CG ASN A 35 24.860 1.218 3.436 1.00 55.55 C ATOM 540 OD1 ASN A 35 25.296 1.906 4.359 1.00 63.22 O ATOM 541 ND2 ASN A 35 25.012 -0.100 3.389 1.00 14.12 N ATOM 0 H ASN A 35 22.967 4.009 2.655 1.00 55.11 H new ATOM 0 HA ASN A 35 25.626 3.370 2.432 1.00 64.23 H new ATOM 0 HB2 ASN A 35 23.070 2.007 2.566 1.00 64.03 H new ATOM 0 HB3 ASN A 35 24.109 1.169 1.432 1.00 64.03 H new ATOM 0 HD21 ASN A 35 25.507 -0.583 4.138 1.00 14.12 H new ATOM 0 HD22 ASN A 35 24.633 -0.629 2.604 1.00 14.12 H new ATOM 548 N PRO A 36 24.085 2.943 -0.486 1.00 42.04 N ATOM 549 CA PRO A 36 24.283 2.872 -1.937 1.00 51.53 C ATOM 550 C PRO A 36 24.661 4.222 -2.537 1.00 53.51 C ATOM 551 O PRO A 36 24.585 5.263 -1.883 1.00 22.32 O ATOM 552 CB PRO A 36 22.917 2.419 -2.460 1.00 25.44 C ATOM 553 CG PRO A 36 21.947 2.868 -1.423 1.00 12.03 C ATOM 554 CD PRO A 36 22.672 2.775 -0.109 1.00 11.43 C ATOM 0 HA PRO A 36 25.101 2.203 -2.204 1.00 51.53 H new ATOM 0 HB2 PRO A 36 22.696 2.866 -3.429 1.00 25.44 H new ATOM 0 HB3 PRO A 36 22.883 1.338 -2.593 1.00 25.44 H new ATOM 0 HG2 PRO A 36 21.616 3.889 -1.614 1.00 12.03 H new ATOM 0 HG3 PRO A 36 21.057 2.239 -1.423 1.00 12.03 H new ATOM 0 HD2 PRO A 36 22.347 3.550 0.585 1.00 11.43 H new ATOM 0 HD3 PRO A 36 22.498 1.816 0.379 1.00 11.43 H new ATOM 562 N PRO A 37 25.077 4.209 -3.812 1.00 62.31 N ATOM 563 CA PRO A 37 25.474 5.425 -4.528 1.00 61.44 C ATOM 564 C PRO A 37 24.288 6.337 -4.823 1.00 4.12 C ATOM 565 O PRO A 37 24.453 7.540 -5.021 1.00 13.12 O ATOM 566 CB PRO A 37 26.073 4.889 -5.831 1.00 42.12 C ATOM 567 CG PRO A 37 25.424 3.563 -6.030 1.00 20.02 C ATOM 568 CD PRO A 37 25.192 3.005 -4.653 1.00 0.22 C ATOM 0 HA PRO A 37 26.164 6.035 -3.945 1.00 61.44 H new ATOM 0 HB2 PRO A 37 25.868 5.559 -6.666 1.00 42.12 H new ATOM 0 HB3 PRO A 37 27.156 4.792 -5.758 1.00 42.12 H new ATOM 0 HG2 PRO A 37 24.484 3.666 -6.573 1.00 20.02 H new ATOM 0 HG3 PRO A 37 26.061 2.901 -6.617 1.00 20.02 H new ATOM 0 HD2 PRO A 37 24.287 2.399 -4.612 1.00 0.22 H new ATOM 0 HD3 PRO A 37 26.017 2.369 -4.333 1.00 0.22 H new ATOM 576 N GLY A 38 23.093 5.756 -4.850 1.00 14.33 N ATOM 577 CA GLY A 38 21.897 6.533 -5.120 1.00 72.34 C ATOM 578 C GLY A 38 20.641 5.683 -5.119 1.00 44.24 C ATOM 579 O GLY A 38 20.107 5.351 -6.178 1.00 20.24 O ATOM 0 H GLY A 38 22.931 4.762 -4.690 1.00 14.33 H new ATOM 0 HA2 GLY A 38 21.801 7.319 -4.371 1.00 72.34 H new ATOM 0 HA3 GLY A 38 21.998 7.026 -6.087 1.00 72.34 H new ATOM 583 N PHE A 39 20.170 5.329 -3.929 1.00 35.04 N ATOM 584 CA PHE A 39 18.970 4.510 -3.794 1.00 43.22 C ATOM 585 C PHE A 39 18.108 4.995 -2.632 1.00 63.02 C ATOM 586 O PHE A 39 18.593 5.161 -1.513 1.00 75.31 O ATOM 587 CB PHE A 39 19.350 3.043 -3.585 1.00 33.20 C ATOM 588 CG PHE A 39 18.919 2.146 -4.710 1.00 34.10 C ATOM 589 CD1 PHE A 39 19.452 2.300 -5.979 1.00 71.45 C ATOM 590 CD2 PHE A 39 17.980 1.149 -4.498 1.00 55.30 C ATOM 591 CE1 PHE A 39 19.058 1.476 -7.017 1.00 34.31 C ATOM 592 CE2 PHE A 39 17.582 0.322 -5.531 1.00 52.24 C ATOM 593 CZ PHE A 39 18.120 0.486 -6.793 1.00 5.44 C ATOM 0 H PHE A 39 20.600 5.596 -3.044 1.00 35.04 H new ATOM 0 HA PHE A 39 18.392 4.601 -4.714 1.00 43.22 H new ATOM 0 HB2 PHE A 39 20.431 2.969 -3.466 1.00 33.20 H new ATOM 0 HB3 PHE A 39 18.902 2.689 -2.657 1.00 33.20 H new ATOM 0 HD1 PHE A 39 20.184 3.073 -6.160 1.00 71.45 H new ATOM 0 HD2 PHE A 39 17.554 1.017 -3.514 1.00 55.30 H new ATOM 0 HE1 PHE A 39 19.483 1.606 -8.001 1.00 34.31 H new ATOM 0 HE2 PHE A 39 16.851 -0.452 -5.352 1.00 52.24 H new ATOM 0 HZ PHE A 39 17.808 -0.158 -7.602 1.00 5.44 H new ATOM 603 N ALA A 40 16.828 5.221 -2.907 1.00 52.02 N ATOM 604 CA ALA A 40 15.897 5.685 -1.886 1.00 5.23 C ATOM 605 C ALA A 40 14.600 4.885 -1.920 1.00 61.41 C ATOM 606 O ALA A 40 14.237 4.315 -2.950 1.00 4.23 O ATOM 607 CB ALA A 40 15.610 7.168 -2.068 1.00 52.15 C ATOM 0 H ALA A 40 16.412 5.090 -3.829 1.00 52.02 H new ATOM 0 HA ALA A 40 16.361 5.533 -0.911 1.00 5.23 H new ATOM 0 HB1 ALA A 40 14.913 7.501 -1.299 1.00 52.15 H new ATOM 0 HB2 ALA A 40 16.539 7.731 -1.984 1.00 52.15 H new ATOM 0 HB3 ALA A 40 15.171 7.336 -3.052 1.00 52.15 H new ATOM 613 N PHE A 41 13.905 4.844 -0.788 1.00 51.43 N ATOM 614 CA PHE A 41 12.648 4.112 -0.689 1.00 21.43 C ATOM 615 C PHE A 41 11.548 4.995 -0.109 1.00 55.51 C ATOM 616 O PHE A 41 11.806 5.856 0.732 1.00 14.24 O ATOM 617 CB PHE A 41 12.827 2.865 0.180 1.00 4.15 C ATOM 618 CG PHE A 41 14.022 2.037 -0.198 1.00 40.12 C ATOM 619 CD1 PHE A 41 14.031 1.308 -1.376 1.00 40.35 C ATOM 620 CD2 PHE A 41 15.136 1.987 0.625 1.00 52.24 C ATOM 621 CE1 PHE A 41 15.129 0.546 -1.728 1.00 71.41 C ATOM 622 CE2 PHE A 41 16.237 1.227 0.278 1.00 35.21 C ATOM 623 CZ PHE A 41 16.233 0.504 -0.899 1.00 54.10 C ATOM 0 H PHE A 41 14.191 5.309 0.073 1.00 51.43 H new ATOM 0 HA PHE A 41 12.354 3.808 -1.694 1.00 21.43 H new ATOM 0 HB2 PHE A 41 12.921 3.169 1.223 1.00 4.15 H new ATOM 0 HB3 PHE A 41 11.931 2.249 0.107 1.00 4.15 H new ATOM 0 HD1 PHE A 41 13.170 1.335 -2.027 1.00 40.35 H new ATOM 0 HD2 PHE A 41 15.144 2.548 1.548 1.00 52.24 H new ATOM 0 HE1 PHE A 41 15.124 -0.016 -2.650 1.00 71.41 H new ATOM 0 HE2 PHE A 41 17.100 1.198 0.927 1.00 35.21 H new ATOM 0 HZ PHE A 41 17.091 -0.093 -1.170 1.00 54.10 H new ATOM 633 N VAL A 42 10.319 4.777 -0.566 1.00 73.43 N ATOM 634 CA VAL A 42 9.178 5.552 -0.094 1.00 31.11 C ATOM 635 C VAL A 42 7.979 4.652 0.184 1.00 1.01 C ATOM 636 O VAL A 42 7.805 3.618 -0.459 1.00 60.24 O ATOM 637 CB VAL A 42 8.770 6.630 -1.115 1.00 44.34 C ATOM 638 CG1 VAL A 42 7.588 7.435 -0.599 1.00 54.42 C ATOM 639 CG2 VAL A 42 9.949 7.540 -1.428 1.00 61.33 C ATOM 0 H VAL A 42 10.088 4.069 -1.263 1.00 73.43 H new ATOM 0 HA VAL A 42 9.487 6.037 0.832 1.00 31.11 H new ATOM 0 HB VAL A 42 8.466 6.135 -2.038 1.00 44.34 H new ATOM 0 HG11 VAL A 42 7.314 8.192 -1.334 1.00 54.42 H new ATOM 0 HG12 VAL A 42 6.741 6.770 -0.430 1.00 54.42 H new ATOM 0 HG13 VAL A 42 7.860 7.921 0.338 1.00 54.42 H new ATOM 0 HG21 VAL A 42 9.643 8.296 -2.151 1.00 61.33 H new ATOM 0 HG22 VAL A 42 10.285 8.028 -0.513 1.00 61.33 H new ATOM 0 HG23 VAL A 42 10.765 6.949 -1.844 1.00 61.33 H new ATOM 649 N GLU A 43 7.155 5.054 1.147 1.00 60.22 N ATOM 650 CA GLU A 43 5.972 4.282 1.510 1.00 40.50 C ATOM 651 C GLU A 43 4.701 5.096 1.283 1.00 42.13 C ATOM 652 O GLU A 43 4.581 6.226 1.756 1.00 2.23 O ATOM 653 CB GLU A 43 6.053 3.841 2.973 1.00 61.33 C ATOM 654 CG GLU A 43 5.051 2.758 3.338 1.00 3.30 C ATOM 655 CD GLU A 43 5.328 2.141 4.695 1.00 24.10 C ATOM 656 OE1 GLU A 43 6.031 2.781 5.505 1.00 10.31 O ATOM 657 OE2 GLU A 43 4.843 1.018 4.947 1.00 44.30 O ATOM 0 H GLU A 43 7.285 5.908 1.689 1.00 60.22 H new ATOM 0 HA GLU A 43 5.936 3.398 0.873 1.00 40.50 H new ATOM 0 HB2 GLU A 43 7.060 3.477 3.179 1.00 61.33 H new ATOM 0 HB3 GLU A 43 5.889 4.707 3.614 1.00 61.33 H new ATOM 0 HG2 GLU A 43 4.046 3.181 3.334 1.00 3.30 H new ATOM 0 HG3 GLU A 43 5.072 1.978 2.577 1.00 3.30 H new ATOM 664 N PHE A 44 3.755 4.513 0.554 1.00 11.21 N ATOM 665 CA PHE A 44 2.493 5.184 0.262 1.00 63.41 C ATOM 666 C PHE A 44 1.345 4.542 1.035 1.00 73.13 C ATOM 667 O PHE A 44 1.110 3.338 0.931 1.00 1.45 O ATOM 668 CB PHE A 44 2.202 5.136 -1.239 1.00 50.44 C ATOM 669 CG PHE A 44 2.138 6.493 -1.881 1.00 11.14 C ATOM 670 CD1 PHE A 44 1.138 7.389 -1.538 1.00 40.22 C ATOM 671 CD2 PHE A 44 3.078 6.873 -2.825 1.00 73.32 C ATOM 672 CE1 PHE A 44 1.076 8.638 -2.127 1.00 65.14 C ATOM 673 CE2 PHE A 44 3.021 8.120 -3.418 1.00 5.35 C ATOM 674 CZ PHE A 44 2.020 9.004 -3.067 1.00 50.42 C ATOM 0 H PHE A 44 3.838 3.578 0.155 1.00 11.21 H new ATOM 0 HA PHE A 44 2.582 6.224 0.575 1.00 63.41 H new ATOM 0 HB2 PHE A 44 2.974 4.546 -1.732 1.00 50.44 H new ATOM 0 HB3 PHE A 44 1.255 4.621 -1.401 1.00 50.44 H new ATOM 0 HD1 PHE A 44 0.399 7.108 -0.802 1.00 40.22 H new ATOM 0 HD2 PHE A 44 3.865 6.187 -3.101 1.00 73.32 H new ATOM 0 HE1 PHE A 44 0.291 9.327 -1.853 1.00 65.14 H new ATOM 0 HE2 PHE A 44 3.758 8.403 -4.155 1.00 5.35 H new ATOM 0 HZ PHE A 44 1.975 9.980 -3.527 1.00 50.42 H new ATOM 684 N GLU A 45 0.633 5.355 1.809 1.00 1.11 N ATOM 685 CA GLU A 45 -0.490 4.866 2.601 1.00 41.45 C ATOM 686 C GLU A 45 -1.432 4.023 1.746 1.00 41.22 C ATOM 687 O GLU A 45 -1.991 3.031 2.214 1.00 54.45 O ATOM 688 CB GLU A 45 -1.256 6.038 3.218 1.00 4.32 C ATOM 689 CG GLU A 45 -2.255 5.619 4.283 1.00 30.21 C ATOM 690 CD GLU A 45 -2.697 6.777 5.157 1.00 72.34 C ATOM 691 OE1 GLU A 45 -1.924 7.749 5.288 1.00 54.14 O ATOM 692 OE2 GLU A 45 -3.815 6.711 5.709 1.00 20.32 O ATOM 0 H GLU A 45 0.814 6.354 1.905 1.00 1.11 H new ATOM 0 HA GLU A 45 -0.093 4.240 3.400 1.00 41.45 H new ATOM 0 HB2 GLU A 45 -0.543 6.737 3.655 1.00 4.32 H new ATOM 0 HB3 GLU A 45 -1.783 6.573 2.428 1.00 4.32 H new ATOM 0 HG2 GLU A 45 -3.128 5.177 3.803 1.00 30.21 H new ATOM 0 HG3 GLU A 45 -1.810 4.846 4.909 1.00 30.21 H new ATOM 699 N ASP A 46 -1.602 4.426 0.491 1.00 32.52 N ATOM 700 CA ASP A 46 -2.476 3.708 -0.430 1.00 24.30 C ATOM 701 C ASP A 46 -1.720 3.303 -1.692 1.00 5.04 C ATOM 702 O ASP A 46 -0.787 3.977 -2.129 1.00 24.01 O ATOM 703 CB ASP A 46 -3.683 4.571 -0.799 1.00 10.01 C ATOM 704 CG ASP A 46 -4.963 4.085 -0.147 1.00 42.22 C ATOM 705 OD1 ASP A 46 -4.885 3.521 0.964 1.00 71.22 O ATOM 706 OD2 ASP A 46 -6.042 4.269 -0.749 1.00 20.24 O ATOM 0 H ASP A 46 -1.147 5.245 0.089 1.00 32.52 H new ATOM 0 HA ASP A 46 -2.825 2.804 0.069 1.00 24.30 H new ATOM 0 HB2 ASP A 46 -3.494 5.602 -0.499 1.00 10.01 H new ATOM 0 HB3 ASP A 46 -3.808 4.572 -1.882 1.00 10.01 H new ATOM 711 N PRO A 47 -2.129 2.175 -2.291 1.00 51.32 N ATOM 712 CA PRO A 47 -1.504 1.655 -3.511 1.00 23.14 C ATOM 713 C PRO A 47 -1.796 2.525 -4.729 1.00 21.35 C ATOM 714 O PRO A 47 -0.904 2.809 -5.529 1.00 33.54 O ATOM 715 CB PRO A 47 -2.142 0.273 -3.675 1.00 2.33 C ATOM 716 CG PRO A 47 -3.452 0.376 -2.974 1.00 33.54 C ATOM 717 CD PRO A 47 -3.235 1.322 -1.825 1.00 62.42 C ATOM 0 HA PRO A 47 -0.417 1.631 -3.434 1.00 23.14 H new ATOM 0 HB2 PRO A 47 -2.275 0.020 -4.727 1.00 2.33 H new ATOM 0 HB3 PRO A 47 -1.518 -0.506 -3.236 1.00 2.33 H new ATOM 0 HG2 PRO A 47 -4.225 0.749 -3.645 1.00 33.54 H new ATOM 0 HG3 PRO A 47 -3.782 -0.600 -2.619 1.00 33.54 H new ATOM 0 HD2 PRO A 47 -4.130 1.906 -1.610 1.00 62.42 H new ATOM 0 HD3 PRO A 47 -2.974 0.790 -0.910 1.00 62.42 H new ATOM 725 N ARG A 48 -3.050 2.945 -4.863 1.00 5.14 N ATOM 726 CA ARG A 48 -3.459 3.782 -5.984 1.00 2.21 C ATOM 727 C ARG A 48 -2.574 5.021 -6.089 1.00 13.23 C ATOM 728 O ARG A 48 -2.068 5.346 -7.163 1.00 75.01 O ATOM 729 CB ARG A 48 -4.923 4.199 -5.829 1.00 45.11 C ATOM 730 CG ARG A 48 -5.422 5.095 -6.950 1.00 55.24 C ATOM 731 CD ARG A 48 -6.923 5.321 -6.856 1.00 74.42 C ATOM 732 NE ARG A 48 -7.297 6.007 -5.623 1.00 14.41 N ATOM 733 CZ ARG A 48 -8.516 6.480 -5.385 1.00 70.14 C ATOM 734 NH1 ARG A 48 -9.473 6.340 -6.292 1.00 52.00 N ATOM 735 NH2 ARG A 48 -8.779 7.093 -4.239 1.00 12.44 N ATOM 0 H ARG A 48 -3.800 2.719 -4.209 1.00 5.14 H new ATOM 0 HA ARG A 48 -3.349 3.200 -6.899 1.00 2.21 H new ATOM 0 HB2 ARG A 48 -5.544 3.304 -5.786 1.00 45.11 H new ATOM 0 HB3 ARG A 48 -5.046 4.718 -4.878 1.00 45.11 H new ATOM 0 HG2 ARG A 48 -4.905 6.054 -6.908 1.00 55.24 H new ATOM 0 HG3 ARG A 48 -5.180 4.644 -7.913 1.00 55.24 H new ATOM 0 HD2 ARG A 48 -7.256 5.908 -7.712 1.00 74.42 H new ATOM 0 HD3 ARG A 48 -7.438 4.362 -6.908 1.00 74.42 H new ATOM 0 HE ARG A 48 -6.584 6.130 -4.905 1.00 14.41 H new ATOM 0 HH11 ARG A 48 -9.274 5.869 -7.174 1.00 52.00 H new ATOM 0 HH12 ARG A 48 -10.408 6.704 -6.107 1.00 52.00 H new ATOM 0 HH21 ARG A 48 -8.045 7.202 -3.539 1.00 12.44 H new ATOM 0 HH22 ARG A 48 -9.715 7.456 -4.058 1.00 12.44 H new ATOM 749 N ASP A 49 -2.393 5.709 -4.967 1.00 30.34 N ATOM 750 CA ASP A 49 -1.569 6.912 -4.932 1.00 34.34 C ATOM 751 C ASP A 49 -0.140 6.604 -5.366 1.00 42.43 C ATOM 752 O ASP A 49 0.497 7.406 -6.049 1.00 65.52 O ATOM 753 CB ASP A 49 -1.570 7.515 -3.526 1.00 43.01 C ATOM 754 CG ASP A 49 -2.971 7.718 -2.983 1.00 63.34 C ATOM 755 OD1 ASP A 49 -3.668 6.709 -2.749 1.00 74.42 O ATOM 756 OD2 ASP A 49 -3.369 8.885 -2.792 1.00 51.50 O ATOM 0 H ASP A 49 -2.806 5.454 -4.070 1.00 30.34 H new ATOM 0 HA ASP A 49 -1.993 7.634 -5.629 1.00 34.34 H new ATOM 0 HB2 ASP A 49 -1.014 6.862 -2.853 1.00 43.01 H new ATOM 0 HB3 ASP A 49 -1.048 8.472 -3.544 1.00 43.01 H new ATOM 761 N ALA A 50 0.358 5.439 -4.965 1.00 12.32 N ATOM 762 CA ALA A 50 1.711 5.026 -5.314 1.00 23.24 C ATOM 763 C ALA A 50 1.814 4.676 -6.794 1.00 41.23 C ATOM 764 O ALA A 50 2.799 5.010 -7.453 1.00 32.34 O ATOM 765 CB ALA A 50 2.138 3.842 -4.459 1.00 22.31 C ATOM 0 H ALA A 50 -0.156 4.765 -4.398 1.00 12.32 H new ATOM 0 HA ALA A 50 2.382 5.863 -5.118 1.00 23.24 H new ATOM 0 HB1 ALA A 50 3.151 3.544 -4.730 1.00 22.31 H new ATOM 0 HB2 ALA A 50 2.113 4.125 -3.407 1.00 22.31 H new ATOM 0 HB3 ALA A 50 1.457 3.008 -4.627 1.00 22.31 H new ATOM 771 N GLU A 51 0.791 4.002 -7.311 1.00 44.20 N ATOM 772 CA GLU A 51 0.769 3.607 -8.714 1.00 61.53 C ATOM 773 C GLU A 51 0.806 4.830 -9.625 1.00 44.23 C ATOM 774 O GLU A 51 1.541 4.860 -10.613 1.00 1.13 O ATOM 775 CB GLU A 51 -0.479 2.773 -9.012 1.00 40.04 C ATOM 776 CG GLU A 51 -0.370 1.328 -8.554 1.00 40.50 C ATOM 777 CD GLU A 51 -1.224 0.388 -9.382 1.00 64.30 C ATOM 778 OE1 GLU A 51 -2.393 0.731 -9.654 1.00 61.02 O ATOM 779 OE2 GLU A 51 -0.721 -0.692 -9.758 1.00 74.30 O ATOM 0 H GLU A 51 -0.032 3.719 -6.780 1.00 44.20 H new ATOM 0 HA GLU A 51 1.656 3.004 -8.909 1.00 61.53 H new ATOM 0 HB2 GLU A 51 -1.339 3.235 -8.527 1.00 40.04 H new ATOM 0 HB3 GLU A 51 -0.670 2.792 -10.085 1.00 40.04 H new ATOM 0 HG2 GLU A 51 0.671 1.011 -8.609 1.00 40.50 H new ATOM 0 HG3 GLU A 51 -0.669 1.259 -7.508 1.00 40.50 H new ATOM 786 N ASP A 52 0.009 5.837 -9.286 1.00 73.04 N ATOM 787 CA ASP A 52 -0.050 7.064 -10.073 1.00 30.15 C ATOM 788 C ASP A 52 1.238 7.868 -9.922 1.00 72.34 C ATOM 789 O ASP A 52 1.783 8.373 -10.903 1.00 5.02 O ATOM 790 CB ASP A 52 -1.248 7.912 -9.644 1.00 53.42 C ATOM 791 CG ASP A 52 -1.602 8.974 -10.668 1.00 23.53 C ATOM 792 OD1 ASP A 52 -0.878 9.989 -10.744 1.00 74.00 O ATOM 793 OD2 ASP A 52 -2.601 8.788 -11.393 1.00 10.21 O ATOM 0 H ASP A 52 -0.605 5.828 -8.472 1.00 73.04 H new ATOM 0 HA ASP A 52 -0.165 6.790 -11.122 1.00 30.15 H new ATOM 0 HB2 ASP A 52 -2.110 7.264 -9.484 1.00 53.42 H new ATOM 0 HB3 ASP A 52 -1.028 8.391 -8.690 1.00 53.42 H new ATOM 798 N ALA A 53 1.717 7.982 -8.688 1.00 43.32 N ATOM 799 CA ALA A 53 2.941 8.724 -8.410 1.00 20.31 C ATOM 800 C ALA A 53 4.124 8.137 -9.172 1.00 60.42 C ATOM 801 O ALA A 53 4.899 8.865 -9.792 1.00 23.20 O ATOM 802 CB ALA A 53 3.225 8.731 -6.915 1.00 41.32 C ATOM 0 H ALA A 53 1.277 7.570 -7.865 1.00 43.32 H new ATOM 0 HA ALA A 53 2.799 9.751 -8.747 1.00 20.31 H new ATOM 0 HB1 ALA A 53 4.142 9.288 -6.721 1.00 41.32 H new ATOM 0 HB2 ALA A 53 2.395 9.203 -6.389 1.00 41.32 H new ATOM 0 HB3 ALA A 53 3.342 7.706 -6.562 1.00 41.32 H new ATOM 808 N VAL A 54 4.257 6.815 -9.122 1.00 25.12 N ATOM 809 CA VAL A 54 5.346 6.130 -9.808 1.00 62.22 C ATOM 810 C VAL A 54 5.208 6.257 -11.321 1.00 63.31 C ATOM 811 O VAL A 54 6.142 6.673 -12.007 1.00 12.40 O ATOM 812 CB VAL A 54 5.396 4.637 -9.432 1.00 11.14 C ATOM 813 CG1 VAL A 54 6.492 3.926 -10.210 1.00 71.14 C ATOM 814 CG2 VAL A 54 5.602 4.473 -7.933 1.00 64.45 C ATOM 0 H VAL A 54 3.624 6.197 -8.614 1.00 25.12 H new ATOM 0 HA VAL A 54 6.272 6.609 -9.489 1.00 62.22 H new ATOM 0 HB VAL A 54 4.442 4.181 -9.697 1.00 11.14 H new ATOM 0 HG11 VAL A 54 6.512 2.873 -9.931 1.00 71.14 H new ATOM 0 HG12 VAL A 54 6.296 4.015 -11.279 1.00 71.14 H new ATOM 0 HG13 VAL A 54 7.455 4.381 -9.979 1.00 71.14 H new ATOM 0 HG21 VAL A 54 5.635 3.412 -7.684 1.00 64.45 H new ATOM 0 HG22 VAL A 54 6.541 4.944 -7.641 1.00 64.45 H new ATOM 0 HG23 VAL A 54 4.778 4.946 -7.399 1.00 64.45 H new ATOM 824 N ARG A 55 4.037 5.895 -11.835 1.00 64.04 N ATOM 825 CA ARG A 55 3.777 5.968 -13.268 1.00 60.30 C ATOM 826 C ARG A 55 4.116 7.352 -13.813 1.00 13.24 C ATOM 827 O ARG A 55 4.672 7.483 -14.902 1.00 62.10 O ATOM 828 CB ARG A 55 2.312 5.638 -13.559 1.00 72.10 C ATOM 829 CG ARG A 55 2.030 4.147 -13.650 1.00 55.23 C ATOM 830 CD ARG A 55 0.622 3.817 -13.180 1.00 55.01 C ATOM 831 NE ARG A 55 -0.136 3.085 -14.192 1.00 23.12 N ATOM 832 CZ ARG A 55 -0.740 3.667 -15.222 1.00 23.12 C ATOM 833 NH1 ARG A 55 -0.675 4.982 -15.376 1.00 2.22 N ATOM 834 NH2 ARG A 55 -1.410 2.933 -16.101 1.00 21.22 N ATOM 0 H ARG A 55 3.254 5.548 -11.281 1.00 64.04 H new ATOM 0 HA ARG A 55 4.413 5.236 -13.765 1.00 60.30 H new ATOM 0 HB2 ARG A 55 1.689 6.070 -12.776 1.00 72.10 H new ATOM 0 HB3 ARG A 55 2.021 6.112 -14.496 1.00 72.10 H new ATOM 0 HG2 ARG A 55 2.159 3.813 -14.680 1.00 55.23 H new ATOM 0 HG3 ARG A 55 2.754 3.601 -13.045 1.00 55.23 H new ATOM 0 HD2 ARG A 55 0.674 3.224 -12.267 1.00 55.01 H new ATOM 0 HD3 ARG A 55 0.097 4.740 -12.931 1.00 55.01 H new ATOM 0 HE ARG A 55 -0.205 2.071 -14.103 1.00 23.12 H new ATOM 0 HH11 ARG A 55 -0.160 5.550 -14.703 1.00 2.22 H new ATOM 0 HH12 ARG A 55 -1.140 5.426 -16.168 1.00 2.22 H new ATOM 0 HH21 ARG A 55 -1.462 1.921 -15.986 1.00 21.22 H new ATOM 0 HH22 ARG A 55 -1.873 3.381 -16.892 1.00 21.22 H new ATOM 848 N GLY A 56 3.775 8.384 -13.046 1.00 21.10 N ATOM 849 CA GLY A 56 4.050 9.745 -13.468 1.00 62.34 C ATOM 850 C GLY A 56 5.515 10.109 -13.333 1.00 3.03 C ATOM 851 O GLY A 56 6.143 10.558 -14.293 1.00 31.40 O ATOM 0 H GLY A 56 3.313 8.301 -12.140 1.00 21.10 H new ATOM 0 HA2 GLY A 56 3.742 9.869 -14.506 1.00 62.34 H new ATOM 0 HA3 GLY A 56 3.451 10.435 -12.873 1.00 62.34 H new ATOM 855 N LEU A 57 6.062 9.918 -12.137 1.00 43.13 N ATOM 856 CA LEU A 57 7.463 10.231 -11.878 1.00 44.31 C ATOM 857 C LEU A 57 8.374 9.513 -12.869 1.00 1.12 C ATOM 858 O LEU A 57 9.196 10.139 -13.538 1.00 2.30 O ATOM 859 CB LEU A 57 7.838 9.840 -10.448 1.00 33.15 C ATOM 860 CG LEU A 57 7.776 10.959 -9.407 1.00 52.15 C ATOM 861 CD1 LEU A 57 6.427 11.660 -9.457 1.00 32.52 C ATOM 862 CD2 LEU A 57 8.042 10.408 -8.014 1.00 71.33 C ATOM 0 H LEU A 57 5.557 9.548 -11.332 1.00 43.13 H new ATOM 0 HA LEU A 57 7.598 11.306 -12.001 1.00 44.31 H new ATOM 0 HB2 LEU A 57 7.176 9.036 -10.127 1.00 33.15 H new ATOM 0 HB3 LEU A 57 8.850 9.435 -10.457 1.00 33.15 H new ATOM 0 HG LEU A 57 8.551 11.689 -9.640 1.00 52.15 H new ATOM 0 HD11 LEU A 57 6.401 12.453 -8.710 1.00 32.52 H new ATOM 0 HD12 LEU A 57 6.277 12.090 -10.447 1.00 32.52 H new ATOM 0 HD13 LEU A 57 5.635 10.940 -9.250 1.00 32.52 H new ATOM 0 HD21 LEU A 57 7.994 11.219 -7.287 1.00 71.33 H new ATOM 0 HD22 LEU A 57 7.291 9.657 -7.770 1.00 71.33 H new ATOM 0 HD23 LEU A 57 9.032 9.953 -7.986 1.00 71.33 H new ATOM 874 N ASP A 58 8.220 8.197 -12.959 1.00 25.35 N ATOM 875 CA ASP A 58 9.027 7.393 -13.870 1.00 53.21 C ATOM 876 C ASP A 58 8.618 7.641 -15.319 1.00 22.21 C ATOM 877 O ASP A 58 9.463 7.697 -16.212 1.00 32.13 O ATOM 878 CB ASP A 58 8.886 5.908 -13.535 1.00 25.45 C ATOM 879 CG ASP A 58 10.005 5.072 -14.126 1.00 53.33 C ATOM 880 OD1 ASP A 58 11.095 5.629 -14.373 1.00 1.30 O ATOM 881 OD2 ASP A 58 9.790 3.861 -14.342 1.00 11.41 O ATOM 0 H ASP A 58 7.544 7.664 -12.412 1.00 25.35 H new ATOM 0 HA ASP A 58 10.070 7.687 -13.749 1.00 53.21 H new ATOM 0 HB2 ASP A 58 8.875 5.782 -12.452 1.00 25.45 H new ATOM 0 HB3 ASP A 58 7.929 5.544 -13.908 1.00 25.45 H new ATOM 886 N GLY A 59 7.316 7.787 -15.545 1.00 1.52 N ATOM 887 CA GLY A 59 6.818 8.026 -16.887 1.00 23.01 C ATOM 888 C GLY A 59 7.224 9.384 -17.423 1.00 3.50 C ATOM 889 O GLY A 59 7.159 9.630 -18.628 1.00 2.03 O ATOM 0 H GLY A 59 6.597 7.744 -14.823 1.00 1.52 H new ATOM 0 HA2 GLY A 59 7.192 7.249 -17.554 1.00 23.01 H new ATOM 0 HA3 GLY A 59 5.731 7.949 -16.887 1.00 23.01 H new ATOM 893 N LYS A 60 7.643 10.271 -16.527 1.00 3.33 N ATOM 894 CA LYS A 60 8.061 11.613 -16.915 1.00 4.12 C ATOM 895 C LYS A 60 8.921 12.251 -15.828 1.00 60.11 C ATOM 896 O LYS A 60 8.486 12.400 -14.686 1.00 52.22 O ATOM 897 CB LYS A 60 6.839 12.490 -17.193 1.00 15.21 C ATOM 898 CG LYS A 60 6.842 13.118 -18.576 1.00 72.52 C ATOM 899 CD LYS A 60 7.948 14.150 -18.718 1.00 33.04 C ATOM 900 CE LYS A 60 7.642 15.407 -17.918 1.00 0.21 C ATOM 901 NZ LYS A 60 7.421 16.586 -18.801 1.00 3.03 N ATOM 0 H LYS A 60 7.702 10.084 -15.526 1.00 3.33 H new ATOM 0 HA LYS A 60 8.657 11.532 -17.824 1.00 4.12 H new ATOM 0 HB2 LYS A 60 5.937 11.889 -17.078 1.00 15.21 H new ATOM 0 HB3 LYS A 60 6.792 13.281 -16.444 1.00 15.21 H new ATOM 0 HG2 LYS A 60 6.970 12.341 -19.329 1.00 72.52 H new ATOM 0 HG3 LYS A 60 5.877 13.589 -18.765 1.00 72.52 H new ATOM 0 HD2 LYS A 60 8.892 13.723 -18.380 1.00 33.04 H new ATOM 0 HD3 LYS A 60 8.074 14.408 -19.770 1.00 33.04 H new ATOM 0 HE2 LYS A 60 6.756 15.241 -17.305 1.00 0.21 H new ATOM 0 HE3 LYS A 60 8.467 15.613 -17.236 1.00 0.21 H new ATOM 0 HZ1 LYS A 60 7.215 17.422 -18.218 1.00 3.03 H new ATOM 0 HZ2 LYS A 60 8.275 16.760 -19.368 1.00 3.03 H new ATOM 0 HZ3 LYS A 60 6.618 16.399 -19.435 1.00 3.03 H new ATOM 915 N VAL A 61 10.143 12.627 -16.191 1.00 63.20 N ATOM 916 CA VAL A 61 11.063 13.251 -15.248 1.00 11.15 C ATOM 917 C VAL A 61 10.383 14.382 -14.483 1.00 71.55 C ATOM 918 O VAL A 61 9.454 15.014 -14.987 1.00 61.23 O ATOM 919 CB VAL A 61 12.309 13.806 -15.962 1.00 42.43 C ATOM 920 CG1 VAL A 61 12.926 12.746 -16.862 1.00 55.22 C ATOM 921 CG2 VAL A 61 11.955 15.053 -16.759 1.00 12.13 C ATOM 0 H VAL A 61 10.519 12.510 -17.132 1.00 63.20 H new ATOM 0 HA VAL A 61 11.371 12.475 -14.547 1.00 11.15 H new ATOM 0 HB VAL A 61 13.046 14.081 -15.207 1.00 42.43 H new ATOM 0 HG11 VAL A 61 13.805 13.157 -17.358 1.00 55.22 H new ATOM 0 HG12 VAL A 61 13.217 11.884 -16.262 1.00 55.22 H new ATOM 0 HG13 VAL A 61 12.198 12.437 -17.612 1.00 55.22 H new ATOM 0 HG21 VAL A 61 12.847 15.432 -17.257 1.00 12.13 H new ATOM 0 HG22 VAL A 61 11.200 14.806 -17.505 1.00 12.13 H new ATOM 0 HG23 VAL A 61 11.564 15.816 -16.086 1.00 12.13 H new ATOM 931 N ILE A 62 10.852 14.631 -13.265 1.00 73.25 N ATOM 932 CA ILE A 62 10.290 15.687 -12.432 1.00 73.54 C ATOM 933 C ILE A 62 11.322 16.773 -12.150 1.00 63.41 C ATOM 934 O ILE A 62 12.404 16.495 -11.631 1.00 62.24 O ATOM 935 CB ILE A 62 9.768 15.130 -11.095 1.00 14.25 C ATOM 936 CG1 ILE A 62 9.343 16.275 -10.172 1.00 60.31 C ATOM 937 CG2 ILE A 62 10.831 14.271 -10.427 1.00 3.41 C ATOM 938 CD1 ILE A 62 10.404 16.667 -9.168 1.00 20.32 C ATOM 0 H ILE A 62 11.619 14.116 -12.833 1.00 73.25 H new ATOM 0 HA ILE A 62 9.457 16.118 -12.987 1.00 73.54 H new ATOM 0 HB ILE A 62 8.897 14.506 -11.294 1.00 14.25 H new ATOM 0 HG12 ILE A 62 9.089 17.144 -10.778 1.00 60.31 H new ATOM 0 HG13 ILE A 62 8.439 15.984 -9.638 1.00 60.31 H new ATOM 0 HG21 ILE A 62 10.446 13.885 -9.483 1.00 3.41 H new ATOM 0 HG22 ILE A 62 11.090 13.438 -11.081 1.00 3.41 H new ATOM 0 HG23 ILE A 62 11.719 14.873 -10.238 1.00 3.41 H new ATOM 0 HD11 ILE A 62 10.034 17.484 -8.548 1.00 20.32 H new ATOM 0 HD12 ILE A 62 10.642 15.811 -8.537 1.00 20.32 H new ATOM 0 HD13 ILE A 62 11.302 16.990 -9.695 1.00 20.32 H new ATOM 950 N CYS A 63 10.980 18.009 -12.493 1.00 44.42 N ATOM 951 CA CYS A 63 11.878 19.139 -12.276 1.00 34.22 C ATOM 952 C CYS A 63 13.288 18.814 -12.758 1.00 34.41 C ATOM 953 O CYS A 63 14.272 19.150 -12.101 1.00 62.14 O ATOM 954 CB CYS A 63 11.907 19.516 -10.794 1.00 15.00 C ATOM 955 SG CYS A 63 12.255 21.263 -10.484 1.00 22.14 S ATOM 0 H CYS A 63 10.088 18.255 -12.922 1.00 44.42 H new ATOM 0 HA CYS A 63 11.503 19.985 -12.852 1.00 34.22 H new ATOM 0 HB2 CYS A 63 10.946 19.263 -10.347 1.00 15.00 H new ATOM 0 HB3 CYS A 63 12.662 18.911 -10.291 1.00 15.00 H new ATOM 0 HG CYS A 63 12.257 21.484 -9.203 1.00 22.14 H new ATOM 961 N GLY A 64 13.377 18.155 -13.910 1.00 12.24 N ATOM 962 CA GLY A 64 14.670 17.794 -14.459 1.00 63.42 C ATOM 963 C GLY A 64 15.326 16.657 -13.700 1.00 11.33 C ATOM 964 O GLY A 64 16.550 16.603 -13.585 1.00 43.22 O ATOM 0 H GLY A 64 12.577 17.865 -14.472 1.00 12.24 H new ATOM 0 HA2 GLY A 64 14.550 17.508 -15.504 1.00 63.42 H new ATOM 0 HA3 GLY A 64 15.325 18.665 -14.440 1.00 63.42 H new ATOM 968 N SER A 65 14.509 15.748 -13.178 1.00 23.32 N ATOM 969 CA SER A 65 15.017 14.610 -12.420 1.00 71.21 C ATOM 970 C SER A 65 14.464 13.299 -12.972 1.00 40.43 C ATOM 971 O SER A 65 13.330 12.919 -12.680 1.00 2.12 O ATOM 972 CB SER A 65 14.648 14.749 -10.942 1.00 5.32 C ATOM 973 OG SER A 65 14.728 16.100 -10.522 1.00 2.34 O ATOM 0 H SER A 65 13.493 15.777 -13.266 1.00 23.32 H new ATOM 0 HA SER A 65 16.103 14.596 -12.517 1.00 71.21 H new ATOM 0 HB2 SER A 65 13.638 14.373 -10.779 1.00 5.32 H new ATOM 0 HB3 SER A 65 15.317 14.137 -10.338 1.00 5.32 H new ATOM 0 HG SER A 65 13.841 16.513 -10.578 1.00 2.34 H new ATOM 979 N ARG A 66 15.274 12.613 -13.772 1.00 54.55 N ATOM 980 CA ARG A 66 14.866 11.346 -14.367 1.00 43.22 C ATOM 981 C ARG A 66 15.179 10.182 -13.432 1.00 75.52 C ATOM 982 O ARG A 66 15.764 9.180 -13.845 1.00 4.45 O ATOM 983 CB ARG A 66 15.570 11.139 -15.710 1.00 12.12 C ATOM 984 CG ARG A 66 17.083 11.047 -15.597 1.00 33.02 C ATOM 985 CD ARG A 66 17.644 9.965 -16.506 1.00 23.24 C ATOM 986 NE ARG A 66 17.772 8.683 -15.817 1.00 13.31 N ATOM 987 CZ ARG A 66 18.178 7.567 -16.411 1.00 21.10 C ATOM 988 NH1 ARG A 66 18.495 7.575 -17.698 1.00 61.44 N ATOM 989 NH2 ARG A 66 18.268 6.440 -15.717 1.00 24.41 N ATOM 0 H ARG A 66 16.216 12.913 -14.023 1.00 54.55 H new ATOM 0 HA ARG A 66 13.789 11.379 -14.531 1.00 43.22 H new ATOM 0 HB2 ARG A 66 15.193 10.227 -16.172 1.00 12.12 H new ATOM 0 HB3 ARG A 66 15.313 11.963 -16.376 1.00 12.12 H new ATOM 0 HG2 ARG A 66 17.528 12.008 -15.856 1.00 33.02 H new ATOM 0 HG3 ARG A 66 17.360 10.836 -14.564 1.00 33.02 H new ATOM 0 HD2 ARG A 66 16.994 9.847 -17.373 1.00 23.24 H new ATOM 0 HD3 ARG A 66 18.620 10.275 -16.879 1.00 23.24 H new ATOM 0 HE ARG A 66 17.537 8.643 -14.825 1.00 13.31 H new ATOM 0 HH11 ARG A 66 18.427 8.440 -18.235 1.00 61.44 H new ATOM 0 HH12 ARG A 66 18.807 6.716 -18.152 1.00 61.44 H new ATOM 0 HH21 ARG A 66 18.025 6.430 -14.726 1.00 24.41 H new ATOM 0 HH22 ARG A 66 18.580 5.583 -16.174 1.00 24.41 H new ATOM 1003 N VAL A 67 14.784 10.320 -12.170 1.00 74.05 N ATOM 1004 CA VAL A 67 15.021 9.280 -11.177 1.00 35.33 C ATOM 1005 C VAL A 67 14.352 7.971 -11.581 1.00 71.33 C ATOM 1006 O VAL A 67 13.611 7.918 -12.563 1.00 65.35 O ATOM 1007 CB VAL A 67 14.502 9.701 -9.789 1.00 30.31 C ATOM 1008 CG1 VAL A 67 15.371 10.805 -9.207 1.00 15.43 C ATOM 1009 CG2 VAL A 67 13.049 10.143 -9.875 1.00 40.11 C ATOM 0 H VAL A 67 14.298 11.142 -11.812 1.00 74.05 H new ATOM 0 HA VAL A 67 16.100 9.132 -11.125 1.00 35.33 H new ATOM 0 HB VAL A 67 14.556 8.840 -9.123 1.00 30.31 H new ATOM 0 HG11 VAL A 67 14.989 11.090 -8.226 1.00 15.43 H new ATOM 0 HG12 VAL A 67 16.396 10.447 -9.108 1.00 15.43 H new ATOM 0 HG13 VAL A 67 15.352 11.671 -9.869 1.00 15.43 H new ATOM 0 HG21 VAL A 67 12.699 10.437 -8.885 1.00 40.11 H new ATOM 0 HG22 VAL A 67 12.966 10.990 -10.556 1.00 40.11 H new ATOM 0 HG23 VAL A 67 12.439 9.319 -10.246 1.00 40.11 H new ATOM 1019 N ARG A 68 14.618 6.916 -10.818 1.00 13.15 N ATOM 1020 CA ARG A 68 14.042 5.606 -11.097 1.00 2.02 C ATOM 1021 C ARG A 68 12.989 5.242 -10.055 1.00 35.21 C ATOM 1022 O ARG A 68 13.316 4.888 -8.922 1.00 64.23 O ATOM 1023 CB ARG A 68 15.138 4.539 -11.124 1.00 2.12 C ATOM 1024 CG ARG A 68 15.813 4.393 -12.478 1.00 1.51 C ATOM 1025 CD ARG A 68 14.918 3.669 -13.471 1.00 42.23 C ATOM 1026 NE ARG A 68 15.056 2.218 -13.376 1.00 1.43 N ATOM 1027 CZ ARG A 68 16.085 1.544 -13.875 1.00 63.54 C ATOM 1028 NH1 ARG A 68 17.062 2.185 -14.502 1.00 53.21 N ATOM 1029 NH2 ARG A 68 16.140 0.224 -13.748 1.00 74.21 N ATOM 0 H ARG A 68 15.229 6.943 -10.002 1.00 13.15 H new ATOM 0 HA ARG A 68 13.561 5.649 -12.074 1.00 2.02 H new ATOM 0 HB2 ARG A 68 15.892 4.786 -10.376 1.00 2.12 H new ATOM 0 HB3 ARG A 68 14.707 3.580 -10.837 1.00 2.12 H new ATOM 0 HG2 ARG A 68 16.067 5.379 -12.867 1.00 1.51 H new ATOM 0 HG3 ARG A 68 16.748 3.845 -12.362 1.00 1.51 H new ATOM 0 HD2 ARG A 68 13.879 3.947 -13.292 1.00 42.23 H new ATOM 0 HD3 ARG A 68 15.164 3.991 -14.483 1.00 42.23 H new ATOM 0 HE ARG A 68 14.322 1.694 -12.900 1.00 1.43 H new ATOM 0 HH11 ARG A 68 17.024 3.199 -14.602 1.00 53.21 H new ATOM 0 HH12 ARG A 68 17.851 1.664 -14.884 1.00 53.21 H new ATOM 0 HH21 ARG A 68 15.391 -0.274 -13.267 1.00 74.21 H new ATOM 0 HH22 ARG A 68 16.931 -0.293 -14.132 1.00 74.21 H new ATOM 1043 N VAL A 69 11.721 5.332 -10.446 1.00 22.31 N ATOM 1044 CA VAL A 69 10.619 5.011 -9.547 1.00 1.33 C ATOM 1045 C VAL A 69 9.943 3.706 -9.950 1.00 31.34 C ATOM 1046 O VAL A 69 9.679 3.470 -11.128 1.00 41.53 O ATOM 1047 CB VAL A 69 9.567 6.136 -9.525 1.00 42.20 C ATOM 1048 CG1 VAL A 69 8.608 5.948 -8.360 1.00 33.21 C ATOM 1049 CG2 VAL A 69 10.244 7.497 -9.454 1.00 61.33 C ATOM 0 H VAL A 69 11.432 5.625 -11.379 1.00 22.31 H new ATOM 0 HA VAL A 69 11.045 4.903 -8.550 1.00 1.33 H new ATOM 0 HB VAL A 69 8.991 6.089 -10.449 1.00 42.20 H new ATOM 0 HG11 VAL A 69 7.872 6.752 -8.361 1.00 33.21 H new ATOM 0 HG12 VAL A 69 8.098 4.990 -8.459 1.00 33.21 H new ATOM 0 HG13 VAL A 69 9.165 5.967 -7.423 1.00 33.21 H new ATOM 0 HG21 VAL A 69 9.486 8.280 -9.439 1.00 61.33 H new ATOM 0 HG22 VAL A 69 10.846 7.557 -8.547 1.00 61.33 H new ATOM 0 HG23 VAL A 69 10.886 7.630 -10.325 1.00 61.33 H new ATOM 1059 N GLU A 70 9.665 2.860 -8.962 1.00 54.31 N ATOM 1060 CA GLU A 70 9.019 1.578 -9.215 1.00 32.42 C ATOM 1061 C GLU A 70 8.371 1.035 -7.944 1.00 55.23 C ATOM 1062 O GLU A 70 8.635 1.520 -6.843 1.00 54.11 O ATOM 1063 CB GLU A 70 10.034 0.568 -9.754 1.00 21.45 C ATOM 1064 CG GLU A 70 9.791 0.173 -11.200 1.00 73.44 C ATOM 1065 CD GLU A 70 10.901 0.632 -12.125 1.00 52.24 C ATOM 1066 OE1 GLU A 70 12.009 0.063 -12.051 1.00 65.45 O ATOM 1067 OE2 GLU A 70 10.660 1.562 -12.924 1.00 0.13 O ATOM 0 H GLU A 70 9.877 3.040 -7.981 1.00 54.31 H new ATOM 0 HA GLU A 70 8.240 1.734 -9.962 1.00 32.42 H new ATOM 0 HB2 GLU A 70 11.035 0.989 -9.665 1.00 21.45 H new ATOM 0 HB3 GLU A 70 10.008 -0.327 -9.133 1.00 21.45 H new ATOM 0 HG2 GLU A 70 9.694 -0.911 -11.265 1.00 73.44 H new ATOM 0 HG3 GLU A 70 8.845 0.599 -11.535 1.00 73.44 H new ATOM 1074 N LEU A 71 7.521 0.027 -8.105 1.00 55.10 N ATOM 1075 CA LEU A 71 6.833 -0.582 -6.972 1.00 20.23 C ATOM 1076 C LEU A 71 7.395 -1.969 -6.675 1.00 50.14 C ATOM 1077 O LEU A 71 7.291 -2.880 -7.496 1.00 71.23 O ATOM 1078 CB LEU A 71 5.332 -0.677 -7.251 1.00 41.33 C ATOM 1079 CG LEU A 71 4.631 0.636 -7.602 1.00 72.04 C ATOM 1080 CD1 LEU A 71 3.244 0.366 -8.165 1.00 12.31 C ATOM 1081 CD2 LEU A 71 4.546 1.539 -6.380 1.00 45.05 C ATOM 0 H LEU A 71 7.292 -0.386 -9.009 1.00 55.10 H new ATOM 0 HA LEU A 71 6.994 0.050 -6.099 1.00 20.23 H new ATOM 0 HB2 LEU A 71 5.179 -1.378 -8.071 1.00 41.33 H new ATOM 0 HB3 LEU A 71 4.846 -1.102 -6.373 1.00 41.33 H new ATOM 0 HG LEU A 71 5.218 1.146 -8.366 1.00 72.04 H new ATOM 0 HD11 LEU A 71 2.760 1.312 -8.409 1.00 12.31 H new ATOM 0 HD12 LEU A 71 3.329 -0.241 -9.066 1.00 12.31 H new ATOM 0 HD13 LEU A 71 2.648 -0.166 -7.424 1.00 12.31 H new ATOM 0 HD21 LEU A 71 4.044 2.469 -6.649 1.00 45.05 H new ATOM 0 HD22 LEU A 71 3.982 1.036 -5.595 1.00 45.05 H new ATOM 0 HD23 LEU A 71 5.551 1.760 -6.020 1.00 45.05 H new ATOM 1093 N SER A 72 7.989 -2.121 -5.496 1.00 71.51 N ATOM 1094 CA SER A 72 8.569 -3.397 -5.092 1.00 12.24 C ATOM 1095 C SER A 72 7.477 -4.399 -4.728 1.00 63.15 C ATOM 1096 O SER A 72 7.676 -5.611 -4.815 1.00 63.34 O ATOM 1097 CB SER A 72 9.511 -3.199 -3.903 1.00 11.43 C ATOM 1098 OG SER A 72 10.738 -2.622 -4.315 1.00 21.30 O ATOM 0 H SER A 72 8.081 -1.377 -4.804 1.00 71.51 H new ATOM 0 HA SER A 72 9.136 -3.793 -5.934 1.00 12.24 H new ATOM 0 HB2 SER A 72 9.035 -2.558 -3.161 1.00 11.43 H new ATOM 0 HB3 SER A 72 9.700 -4.158 -3.421 1.00 11.43 H new ATOM 0 HG SER A 72 11.322 -2.504 -3.537 1.00 21.30 H new