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 21:sc= 0.168 USER MOD Single : A 7 ASN : amide:sc= -0.0458 X(o=-0.046,f=-0.046) 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 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.11) 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 33:sc= -3.44! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 4.583 -0.831 -2.110 1.00 44.35 N ATOM 19 CA LYS A 2 5.973 -0.527 -1.791 1.00 22.24 C ATOM 20 C LYS A 2 6.619 0.299 -2.899 1.00 32.52 C ATOM 21 O LYS A 2 6.409 0.038 -4.083 1.00 70.25 O ATOM 22 CB LYS A 2 6.763 -1.820 -1.578 1.00 22.55 C ATOM 23 CG LYS A 2 6.463 -2.505 -0.255 1.00 65.54 C ATOM 24 CD LYS A 2 7.473 -2.121 0.813 1.00 11.03 C ATOM 25 CE LYS A 2 8.406 -3.277 1.140 1.00 0.33 C ATOM 26 NZ LYS A 2 9.136 -3.055 2.419 1.00 23.30 N ATOM 0 HA LYS A 2 5.988 0.058 -0.871 1.00 22.24 H new ATOM 0 HB2 LYS A 2 6.542 -2.509 -2.393 1.00 22.55 H new ATOM 0 HB3 LYS A 2 7.829 -1.597 -1.629 1.00 22.55 H new ATOM 0 HG2 LYS A 2 5.461 -2.234 0.077 1.00 65.54 H new ATOM 0 HG3 LYS A 2 6.472 -3.586 -0.394 1.00 65.54 H new ATOM 0 HD2 LYS A 2 8.057 -1.266 0.472 1.00 11.03 H new ATOM 0 HD3 LYS A 2 6.948 -1.809 1.716 1.00 11.03 H new ATOM 0 HE2 LYS A 2 7.831 -4.201 1.206 1.00 0.33 H new ATOM 0 HE3 LYS A 2 9.124 -3.405 0.330 1.00 0.33 H new ATOM 0 HZ1 LYS A 2 9.761 -3.864 2.607 1.00 23.30 H new ATOM 0 HZ2 LYS A 2 9.705 -2.187 2.348 1.00 23.30 H new ATOM 0 HZ3 LYS A 2 8.452 -2.958 3.197 1.00 23.30 H new ATOM 40 N VAL A 3 7.406 1.295 -2.506 1.00 62.11 N ATOM 41 CA VAL A 3 8.085 2.157 -3.466 1.00 53.13 C ATOM 42 C VAL A 3 9.545 2.366 -3.081 1.00 51.14 C ATOM 43 O VAL A 3 9.894 2.359 -1.901 1.00 33.44 O ATOM 44 CB VAL A 3 7.393 3.529 -3.576 1.00 33.22 C ATOM 45 CG1 VAL A 3 7.735 4.195 -4.900 1.00 15.44 C ATOM 46 CG2 VAL A 3 5.887 3.380 -3.418 1.00 21.43 C ATOM 0 H VAL A 3 7.589 1.525 -1.529 1.00 62.11 H new ATOM 0 HA VAL A 3 8.036 1.655 -4.432 1.00 53.13 H new ATOM 0 HB VAL A 3 7.759 4.167 -2.771 1.00 33.22 H new ATOM 0 HG11 VAL A 3 7.237 5.163 -4.960 1.00 15.44 H new ATOM 0 HG12 VAL A 3 8.814 4.337 -4.968 1.00 15.44 H new ATOM 0 HG13 VAL A 3 7.400 3.563 -5.722 1.00 15.44 H new ATOM 0 HG21 VAL A 3 5.414 4.359 -3.498 1.00 21.43 H new ATOM 0 HG22 VAL A 3 5.502 2.726 -4.200 1.00 21.43 H new ATOM 0 HG23 VAL A 3 5.664 2.949 -2.442 1.00 21.43 H new ATOM 56 N TYR A 4 10.395 2.553 -4.085 1.00 75.02 N ATOM 57 CA TYR A 4 11.819 2.762 -3.852 1.00 55.43 C ATOM 58 C TYR A 4 12.356 3.885 -4.735 1.00 15.12 C ATOM 59 O TYR A 4 12.327 3.794 -5.962 1.00 71.22 O ATOM 60 CB TYR A 4 12.596 1.472 -4.120 1.00 14.31 C ATOM 61 CG TYR A 4 13.863 1.683 -4.917 1.00 51.12 C ATOM 62 CD1 TYR A 4 15.021 2.150 -4.307 1.00 60.52 C ATOM 63 CD2 TYR A 4 13.902 1.417 -6.280 1.00 62.12 C ATOM 64 CE1 TYR A 4 16.181 2.344 -5.032 1.00 1.34 C ATOM 65 CE2 TYR A 4 15.058 1.607 -7.012 1.00 41.32 C ATOM 66 CZ TYR A 4 16.195 2.071 -6.384 1.00 12.34 C ATOM 67 OH TYR A 4 17.348 2.264 -7.110 1.00 31.45 O ATOM 0 H TYR A 4 10.122 2.564 -5.068 1.00 75.02 H new ATOM 0 HA TYR A 4 11.952 3.048 -2.809 1.00 55.43 H new ATOM 0 HB2 TYR A 4 12.849 1.006 -3.168 1.00 14.31 H new ATOM 0 HB3 TYR A 4 11.952 0.774 -4.655 1.00 14.31 H new ATOM 0 HD1 TYR A 4 15.014 2.365 -3.249 1.00 60.52 H new ATOM 0 HD2 TYR A 4 13.013 1.055 -6.776 1.00 62.12 H new ATOM 0 HE1 TYR A 4 17.072 2.708 -4.543 1.00 1.34 H new ATOM 0 HE2 TYR A 4 15.071 1.393 -8.071 1.00 41.32 H new ATOM 0 HH TYR A 4 18.119 2.266 -6.505 1.00 31.45 H new ATOM 77 N VAL A 5 12.846 4.945 -4.100 1.00 21.12 N ATOM 78 CA VAL A 5 13.392 6.086 -4.825 1.00 70.22 C ATOM 79 C VAL A 5 14.896 6.206 -4.609 1.00 63.32 C ATOM 80 O VAL A 5 15.349 6.649 -3.555 1.00 3.02 O ATOM 81 CB VAL A 5 12.716 7.401 -4.394 1.00 20.24 C ATOM 82 CG1 VAL A 5 11.295 7.472 -4.931 1.00 13.14 C ATOM 83 CG2 VAL A 5 12.730 7.534 -2.878 1.00 55.03 C ATOM 0 H VAL A 5 12.876 5.037 -3.085 1.00 21.12 H new ATOM 0 HA VAL A 5 13.192 5.913 -5.883 1.00 70.22 H new ATOM 0 HB VAL A 5 13.279 8.234 -4.814 1.00 20.24 H new ATOM 0 HG11 VAL A 5 10.833 8.408 -4.616 1.00 13.14 H new ATOM 0 HG12 VAL A 5 11.315 7.425 -6.020 1.00 13.14 H new ATOM 0 HG13 VAL A 5 10.717 6.634 -4.542 1.00 13.14 H new ATOM 0 HG21 VAL A 5 12.249 8.469 -2.590 1.00 55.03 H new ATOM 0 HG22 VAL A 5 12.191 6.697 -2.434 1.00 55.03 H new ATOM 0 HG23 VAL A 5 13.760 7.532 -2.522 1.00 55.03 H new ATOM 93 N GLY A 6 15.667 5.807 -5.617 1.00 2.42 N ATOM 94 CA GLY A 6 17.113 5.878 -5.518 1.00 2.54 C ATOM 95 C GLY A 6 17.701 6.969 -6.391 1.00 24.20 C ATOM 96 O GLY A 6 16.969 7.752 -6.995 1.00 5.04 O ATOM 0 H GLY A 6 15.316 5.436 -6.500 1.00 2.42 H new ATOM 0 HA2 GLY A 6 17.395 6.056 -4.480 1.00 2.54 H new ATOM 0 HA3 GLY A 6 17.541 4.917 -5.804 1.00 2.54 H new ATOM 100 N ASN A 7 19.028 7.021 -6.457 1.00 72.22 N ATOM 101 CA ASN A 7 19.714 8.025 -7.262 1.00 1.34 C ATOM 102 C ASN A 7 19.433 9.429 -6.734 1.00 43.24 C ATOM 103 O ASN A 7 18.694 10.199 -7.349 1.00 74.31 O ATOM 104 CB ASN A 7 19.279 7.921 -8.725 1.00 1.42 C ATOM 105 CG ASN A 7 20.217 7.058 -9.547 1.00 35.13 C ATOM 106 OD1 ASN A 7 20.941 7.555 -10.409 1.00 11.41 O ATOM 107 ND2 ASN A 7 20.206 5.757 -9.283 1.00 22.54 N ATOM 0 H ASN A 7 19.649 6.380 -5.963 1.00 72.22 H new ATOM 0 HA ASN A 7 20.786 7.838 -7.195 1.00 1.34 H new ATOM 0 HB2 ASN A 7 18.272 7.506 -8.773 1.00 1.42 H new ATOM 0 HB3 ASN A 7 19.234 8.920 -9.160 1.00 1.42 H new ATOM 0 HD21 ASN A 7 20.815 5.126 -9.804 1.00 22.54 H new ATOM 0 HD22 ASN A 7 19.589 5.389 -8.559 1.00 22.54 H new ATOM 114 N LEU A 8 20.029 9.756 -5.593 1.00 12.41 N ATOM 115 CA LEU A 8 19.844 11.068 -4.982 1.00 51.32 C ATOM 116 C LEU A 8 21.183 11.667 -4.563 1.00 54.41 C ATOM 117 O LEU A 8 21.802 11.217 -3.600 1.00 72.33 O ATOM 118 CB LEU A 8 18.918 10.962 -3.769 1.00 53.25 C ATOM 119 CG LEU A 8 17.631 10.161 -3.975 1.00 44.43 C ATOM 120 CD1 LEU A 8 17.578 8.982 -3.017 1.00 31.12 C ATOM 121 CD2 LEU A 8 16.413 11.054 -3.794 1.00 15.21 C ATOM 0 H LEU A 8 20.644 9.131 -5.072 1.00 12.41 H new ATOM 0 HA LEU A 8 19.388 11.725 -5.723 1.00 51.32 H new ATOM 0 HB2 LEU A 8 19.476 10.510 -2.949 1.00 53.25 H new ATOM 0 HB3 LEU A 8 18.648 11.970 -3.454 1.00 53.25 H new ATOM 0 HG LEU A 8 17.624 9.775 -4.994 1.00 44.43 H new ATOM 0 HD11 LEU A 8 16.656 8.424 -3.178 1.00 31.12 H new ATOM 0 HD12 LEU A 8 18.433 8.330 -3.195 1.00 31.12 H new ATOM 0 HD13 LEU A 8 17.607 9.346 -1.990 1.00 31.12 H new ATOM 0 HD21 LEU A 8 15.506 10.468 -3.944 1.00 15.21 H new ATOM 0 HD22 LEU A 8 16.413 11.470 -2.787 1.00 15.21 H new ATOM 0 HD23 LEU A 8 16.445 11.865 -4.521 1.00 15.21 H new ATOM 161 N ALA A 12 18.546 16.939 -4.456 1.00 10.31 N ATOM 162 CA ALA A 12 17.242 16.295 -4.550 1.00 61.33 C ATOM 163 C ALA A 12 17.183 15.046 -3.677 1.00 74.34 C ATOM 164 O ALA A 12 17.752 14.010 -4.019 1.00 74.14 O ATOM 165 CB ALA A 12 16.930 15.945 -5.998 1.00 31.33 C ATOM 0 HA ALA A 12 16.490 16.996 -4.187 1.00 61.33 H new ATOM 0 HB1 ALA A 12 15.953 15.465 -6.054 1.00 31.33 H new ATOM 0 HB2 ALA A 12 16.922 16.855 -6.599 1.00 31.33 H new ATOM 0 HB3 ALA A 12 17.691 15.265 -6.380 1.00 31.33 H new ATOM 171 N GLY A 13 16.490 15.151 -2.547 1.00 41.32 N ATOM 172 CA GLY A 13 16.370 14.023 -1.643 1.00 23.05 C ATOM 173 C GLY A 13 15.032 13.990 -0.931 1.00 61.22 C ATOM 174 O GLY A 13 13.981 13.947 -1.571 1.00 10.42 O ATOM 0 H GLY A 13 16.010 15.998 -2.242 1.00 41.32 H new ATOM 0 HA2 GLY A 13 16.503 13.097 -2.203 1.00 23.05 H new ATOM 0 HA3 GLY A 13 17.170 14.067 -0.904 1.00 23.05 H new ATOM 178 N LYS A 14 15.069 14.007 0.397 1.00 43.41 N ATOM 179 CA LYS A 14 13.851 13.979 1.197 1.00 31.33 C ATOM 180 C LYS A 14 12.861 15.036 0.720 1.00 41.43 C ATOM 181 O LYS A 14 11.709 14.730 0.417 1.00 53.22 O ATOM 182 CB LYS A 14 14.181 14.204 2.675 1.00 43.25 C ATOM 183 CG LYS A 14 13.113 13.687 3.622 1.00 12.54 C ATOM 184 CD LYS A 14 13.707 13.266 4.956 1.00 10.41 C ATOM 185 CE LYS A 14 13.298 14.214 6.073 1.00 52.52 C ATOM 186 NZ LYS A 14 12.068 13.749 6.773 1.00 44.33 N ATOM 0 H LYS A 14 15.930 14.040 0.942 1.00 43.41 H new ATOM 0 HA LYS A 14 13.392 12.997 1.079 1.00 31.33 H new ATOM 0 HB2 LYS A 14 15.127 13.715 2.906 1.00 43.25 H new ATOM 0 HB3 LYS A 14 14.323 15.271 2.849 1.00 43.25 H new ATOM 0 HG2 LYS A 14 12.364 14.462 3.785 1.00 12.54 H new ATOM 0 HG3 LYS A 14 12.601 12.839 3.167 1.00 12.54 H new ATOM 0 HD2 LYS A 14 13.380 12.255 5.198 1.00 10.41 H new ATOM 0 HD3 LYS A 14 14.794 13.240 4.879 1.00 10.41 H new ATOM 0 HE2 LYS A 14 14.113 14.302 6.791 1.00 52.52 H new ATOM 0 HE3 LYS A 14 13.127 15.209 5.661 1.00 52.52 H new ATOM 0 HZ1 LYS A 14 11.822 14.422 7.527 1.00 44.33 H new ATOM 0 HZ2 LYS A 14 11.283 13.689 6.093 1.00 44.33 H new ATOM 0 HZ3 LYS A 14 12.239 12.811 7.188 1.00 44.33 H new ATOM 200 N GLY A 15 13.319 16.283 0.654 1.00 65.25 N ATOM 201 CA GLY A 15 12.462 17.366 0.210 1.00 15.25 C ATOM 202 C GLY A 15 11.976 17.177 -1.213 1.00 65.51 C ATOM 203 O GLY A 15 10.815 17.444 -1.520 1.00 63.01 O ATOM 0 H GLY A 15 14.269 16.562 0.900 1.00 65.25 H new ATOM 0 HA2 GLY A 15 11.603 17.442 0.877 1.00 15.25 H new ATOM 0 HA3 GLY A 15 13.006 18.308 0.283 1.00 15.25 H new ATOM 207 N GLU A 16 12.869 16.715 -2.084 1.00 55.32 N ATOM 208 CA GLU A 16 12.524 16.493 -3.484 1.00 4.14 C ATOM 209 C GLU A 16 11.427 15.441 -3.614 1.00 14.14 C ATOM 210 O GLU A 16 10.365 15.702 -4.181 1.00 13.24 O ATOM 211 CB GLU A 16 13.760 16.056 -4.273 1.00 4.43 C ATOM 212 CG GLU A 16 13.795 16.591 -5.695 1.00 2.05 C ATOM 213 CD GLU A 16 14.446 17.957 -5.788 1.00 45.23 C ATOM 214 OE1 GLU A 16 14.802 18.518 -4.731 1.00 11.15 O ATOM 215 OE2 GLU A 16 14.601 18.465 -6.918 1.00 55.34 O ATOM 0 H GLU A 16 13.834 16.488 -1.845 1.00 55.32 H new ATOM 0 HA GLU A 16 12.153 17.432 -3.894 1.00 4.14 H new ATOM 0 HB2 GLU A 16 14.654 16.390 -3.746 1.00 4.43 H new ATOM 0 HB3 GLU A 16 13.796 14.967 -4.303 1.00 4.43 H new ATOM 0 HG2 GLU A 16 14.337 15.890 -6.330 1.00 2.05 H new ATOM 0 HG3 GLU A 16 12.778 16.650 -6.082 1.00 2.05 H new ATOM 222 N LEU A 17 11.690 14.251 -3.085 1.00 43.31 N ATOM 223 CA LEU A 17 10.726 13.158 -3.142 1.00 11.23 C ATOM 224 C LEU A 17 9.466 13.503 -2.354 1.00 73.34 C ATOM 225 O LEU A 17 8.376 13.027 -2.671 1.00 52.51 O ATOM 226 CB LEU A 17 11.349 11.873 -2.593 1.00 13.43 C ATOM 227 CG LEU A 17 11.119 11.598 -1.106 1.00 72.14 C ATOM 228 CD1 LEU A 17 9.814 10.845 -0.899 1.00 14.54 C ATOM 229 CD2 LEU A 17 12.286 10.816 -0.522 1.00 61.11 C ATOM 0 H LEU A 17 12.563 14.019 -2.612 1.00 43.31 H new ATOM 0 HA LEU A 17 10.450 13.003 -4.185 1.00 11.23 H new ATOM 0 HB2 LEU A 17 10.957 11.031 -3.163 1.00 13.43 H new ATOM 0 HB3 LEU A 17 12.423 11.908 -2.774 1.00 13.43 H new ATOM 0 HG LEU A 17 11.051 12.553 -0.585 1.00 72.14 H new ATOM 0 HD11 LEU A 17 9.667 10.658 0.165 1.00 14.54 H new ATOM 0 HD12 LEU A 17 8.985 11.441 -1.281 1.00 14.54 H new ATOM 0 HD13 LEU A 17 9.853 9.895 -1.432 1.00 14.54 H new ATOM 0 HD21 LEU A 17 12.105 10.629 0.537 1.00 61.11 H new ATOM 0 HD22 LEU A 17 12.386 9.866 -1.046 1.00 61.11 H new ATOM 0 HD23 LEU A 17 13.204 11.392 -0.637 1.00 61.11 H new ATOM 241 N GLU A 18 9.623 14.333 -1.329 1.00 4.54 N ATOM 242 CA GLU A 18 8.497 14.742 -0.497 1.00 42.34 C ATOM 243 C GLU A 18 7.497 15.566 -1.303 1.00 72.35 C ATOM 244 O GLU A 18 6.304 15.260 -1.331 1.00 5.24 O ATOM 245 CB GLU A 18 8.989 15.551 0.705 1.00 41.23 C ATOM 246 CG GLU A 18 7.866 16.131 1.549 1.00 65.23 C ATOM 247 CD GLU A 18 8.137 16.017 3.036 1.00 34.35 C ATOM 248 OE1 GLU A 18 9.261 16.352 3.463 1.00 0.14 O ATOM 249 OE2 GLU A 18 7.222 15.592 3.774 1.00 44.01 O ATOM 0 H GLU A 18 10.519 14.736 -1.054 1.00 4.54 H new ATOM 0 HA GLU A 18 7.997 13.842 -0.140 1.00 42.34 H new ATOM 0 HB2 GLU A 18 9.611 14.912 1.332 1.00 41.23 H new ATOM 0 HB3 GLU A 18 9.623 16.364 0.350 1.00 41.23 H new ATOM 0 HG2 GLU A 18 7.725 17.180 1.288 1.00 65.23 H new ATOM 0 HG3 GLU A 18 6.935 15.616 1.312 1.00 65.23 H new ATOM 256 N ARG A 19 7.991 16.611 -1.958 1.00 42.31 N ATOM 257 CA ARG A 19 7.141 17.480 -2.763 1.00 43.13 C ATOM 258 C ARG A 19 6.543 16.716 -3.940 1.00 74.25 C ATOM 259 O ARG A 19 5.375 16.898 -4.282 1.00 54.32 O ATOM 260 CB ARG A 19 7.941 18.680 -3.274 1.00 52.11 C ATOM 261 CG ARG A 19 7.073 19.845 -3.720 1.00 15.45 C ATOM 262 CD ARG A 19 7.685 21.180 -3.323 1.00 34.33 C ATOM 263 NE ARG A 19 9.066 21.305 -3.778 1.00 44.24 N ATOM 264 CZ ARG A 19 9.875 22.292 -3.409 1.00 24.21 C ATOM 265 NH1 ARG A 19 9.443 23.234 -2.582 1.00 71.30 N ATOM 266 NH2 ARG A 19 11.120 22.337 -3.866 1.00 42.42 N ATOM 0 H ARG A 19 8.976 16.877 -1.947 1.00 42.31 H new ATOM 0 HA ARG A 19 6.327 17.837 -2.132 1.00 43.13 H new ATOM 0 HB2 ARG A 19 8.613 19.020 -2.486 1.00 52.11 H new ATOM 0 HB3 ARG A 19 8.564 18.361 -4.110 1.00 52.11 H new ATOM 0 HG2 ARG A 19 6.943 19.810 -4.802 1.00 15.45 H new ATOM 0 HG3 ARG A 19 6.081 19.752 -3.277 1.00 15.45 H new ATOM 0 HD2 ARG A 19 7.090 21.991 -3.743 1.00 34.33 H new ATOM 0 HD3 ARG A 19 7.649 21.287 -2.239 1.00 34.33 H new ATOM 0 HE ARG A 19 9.430 20.596 -4.414 1.00 44.24 H new ATOM 0 HH11 ARG A 19 8.487 23.202 -2.227 1.00 71.30 H new ATOM 0 HH12 ARG A 19 10.066 23.991 -2.300 1.00 71.30 H new ATOM 0 HH21 ARG A 19 11.457 21.613 -4.501 1.00 42.42 H new ATOM 0 HH22 ARG A 19 11.740 23.095 -3.582 1.00 42.42 H new ATOM 280 N ALA A 20 7.352 15.860 -4.557 1.00 15.14 N ATOM 281 CA ALA A 20 6.902 15.067 -5.694 1.00 54.30 C ATOM 282 C ALA A 20 5.791 14.105 -5.287 1.00 53.04 C ATOM 283 O ALA A 20 4.651 14.232 -5.736 1.00 21.43 O ATOM 284 CB ALA A 20 8.069 14.303 -6.299 1.00 65.25 C ATOM 0 H ALA A 20 8.323 15.698 -4.288 1.00 15.14 H new ATOM 0 HA ALA A 20 6.500 15.748 -6.444 1.00 54.30 H new ATOM 0 HB1 ALA A 20 7.718 13.715 -7.147 1.00 65.25 H new ATOM 0 HB2 ALA A 20 8.830 15.007 -6.635 1.00 65.25 H new ATOM 0 HB3 ALA A 20 8.497 13.638 -5.549 1.00 65.25 H new ATOM 290 N PHE A 21 6.130 13.143 -4.436 1.00 62.53 N ATOM 291 CA PHE A 21 5.161 12.157 -3.971 1.00 3.24 C ATOM 292 C PHE A 21 3.899 12.839 -3.451 1.00 72.04 C ATOM 293 O PHE A 21 2.783 12.453 -3.801 1.00 25.23 O ATOM 294 CB PHE A 21 5.774 11.288 -2.870 1.00 45.35 C ATOM 295 CG PHE A 21 6.576 10.132 -3.397 1.00 34.24 C ATOM 296 CD1 PHE A 21 7.765 10.347 -4.075 1.00 34.14 C ATOM 297 CD2 PHE A 21 6.139 8.829 -3.214 1.00 2.54 C ATOM 298 CE1 PHE A 21 8.504 9.285 -4.560 1.00 24.02 C ATOM 299 CE2 PHE A 21 6.875 7.764 -3.696 1.00 71.41 C ATOM 300 CZ PHE A 21 8.058 7.992 -4.371 1.00 63.40 C ATOM 0 H PHE A 21 7.068 13.025 -4.054 1.00 62.53 H new ATOM 0 HA PHE A 21 4.890 11.524 -4.816 1.00 3.24 H new ATOM 0 HB2 PHE A 21 6.414 11.908 -2.243 1.00 45.35 H new ATOM 0 HB3 PHE A 21 4.976 10.906 -2.233 1.00 45.35 H new ATOM 0 HD1 PHE A 21 8.118 11.356 -4.226 1.00 34.14 H new ATOM 0 HD2 PHE A 21 5.213 8.645 -2.689 1.00 2.54 H new ATOM 0 HE1 PHE A 21 9.429 9.466 -5.086 1.00 24.02 H new ATOM 0 HE2 PHE A 21 6.525 6.753 -3.545 1.00 71.41 H new ATOM 0 HZ PHE A 21 8.633 7.160 -4.750 1.00 63.40 H new ATOM 310 N SER A 22 4.084 13.855 -2.615 1.00 33.05 N ATOM 311 CA SER A 22 2.961 14.589 -2.043 1.00 35.41 C ATOM 312 C SER A 22 2.111 15.223 -3.140 1.00 45.41 C ATOM 313 O SER A 22 0.882 15.180 -3.092 1.00 51.34 O ATOM 314 CB SER A 22 3.465 15.668 -1.083 1.00 55.34 C ATOM 315 OG SER A 22 2.389 16.433 -0.566 1.00 25.33 O ATOM 0 H SER A 22 5.001 14.189 -2.318 1.00 33.05 H new ATOM 0 HA SER A 22 2.341 13.883 -1.490 1.00 35.41 H new ATOM 0 HB2 SER A 22 4.012 15.203 -0.263 1.00 55.34 H new ATOM 0 HB3 SER A 22 4.165 16.323 -1.602 1.00 55.34 H new ATOM 0 HG SER A 22 2.737 17.115 0.046 1.00 25.33 H new ATOM 321 N TYR A 23 2.777 15.812 -4.128 1.00 14.34 N ATOM 322 CA TYR A 23 2.085 16.459 -5.236 1.00 75.23 C ATOM 323 C TYR A 23 1.171 15.472 -5.958 1.00 4.40 C ATOM 324 O TYR A 23 0.041 15.804 -6.317 1.00 63.51 O ATOM 325 CB TYR A 23 3.095 17.050 -6.221 1.00 21.42 C ATOM 326 CG TYR A 23 3.349 18.526 -6.015 1.00 72.13 C ATOM 327 CD1 TYR A 23 3.492 19.055 -4.739 1.00 0.41 C ATOM 328 CD2 TYR A 23 3.446 19.391 -7.098 1.00 41.32 C ATOM 329 CE1 TYR A 23 3.723 20.404 -4.547 1.00 20.34 C ATOM 330 CE2 TYR A 23 3.678 20.741 -6.915 1.00 65.24 C ATOM 331 CZ TYR A 23 3.816 21.242 -5.638 1.00 13.21 C ATOM 332 OH TYR A 23 4.047 22.586 -5.451 1.00 22.34 O ATOM 0 H TYR A 23 3.795 15.854 -4.184 1.00 14.34 H new ATOM 0 HA TYR A 23 1.472 17.263 -4.828 1.00 75.23 H new ATOM 0 HB2 TYR A 23 4.038 16.511 -6.129 1.00 21.42 H new ATOM 0 HB3 TYR A 23 2.735 16.890 -7.237 1.00 21.42 H new ATOM 0 HD1 TYR A 23 3.422 18.401 -3.882 1.00 0.41 H new ATOM 0 HD2 TYR A 23 3.338 19.002 -8.100 1.00 41.32 H new ATOM 0 HE1 TYR A 23 3.830 20.800 -3.548 1.00 20.34 H new ATOM 0 HE2 TYR A 23 3.751 21.400 -7.768 1.00 65.24 H new ATOM 0 HH TYR A 23 4.086 23.035 -6.321 1.00 22.34 H new ATOM 342 N TYR A 24 1.670 14.259 -6.166 1.00 71.12 N ATOM 343 CA TYR A 24 0.901 13.223 -6.846 1.00 42.23 C ATOM 344 C TYR A 24 -0.208 12.688 -5.946 1.00 24.35 C ATOM 345 O TYR A 24 -1.291 12.342 -6.414 1.00 71.42 O ATOM 346 CB TYR A 24 1.819 12.079 -7.279 1.00 61.14 C ATOM 347 CG TYR A 24 2.512 12.325 -8.601 1.00 12.23 C ATOM 348 CD1 TYR A 24 3.524 13.270 -8.711 1.00 4.43 C ATOM 349 CD2 TYR A 24 2.153 11.614 -9.739 1.00 23.11 C ATOM 350 CE1 TYR A 24 4.160 13.499 -9.916 1.00 13.51 C ATOM 351 CE2 TYR A 24 2.784 11.835 -10.948 1.00 1.22 C ATOM 352 CZ TYR A 24 3.786 12.779 -11.031 1.00 44.13 C ATOM 353 OH TYR A 24 4.416 13.004 -12.234 1.00 23.40 O ATOM 0 H TYR A 24 2.603 13.969 -5.874 1.00 71.12 H new ATOM 0 HA TYR A 24 0.443 13.667 -7.730 1.00 42.23 H new ATOM 0 HB2 TYR A 24 2.572 11.917 -6.508 1.00 61.14 H new ATOM 0 HB3 TYR A 24 1.234 11.162 -7.350 1.00 61.14 H new ATOM 0 HD1 TYR A 24 3.819 13.836 -7.839 1.00 4.43 H new ATOM 0 HD2 TYR A 24 1.367 10.876 -9.678 1.00 23.11 H new ATOM 0 HE1 TYR A 24 4.945 14.237 -9.984 1.00 13.51 H new ATOM 0 HE2 TYR A 24 2.494 11.272 -11.823 1.00 1.22 H new ATOM 0 HH TYR A 24 5.339 13.292 -12.071 1.00 23.40 H new ATOM 363 N GLY A 25 0.073 12.623 -4.647 1.00 53.23 N ATOM 364 CA GLY A 25 -0.910 12.130 -3.700 1.00 23.30 C ATOM 365 C GLY A 25 -0.297 11.779 -2.359 1.00 25.31 C ATOM 366 O GLY A 25 0.908 11.553 -2.243 1.00 62.20 O ATOM 0 H GLY A 25 0.963 12.903 -4.235 1.00 53.23 H new ATOM 0 HA2 GLY A 25 -1.683 12.885 -3.556 1.00 23.30 H new ATOM 0 HA3 GLY A 25 -1.399 11.249 -4.114 1.00 23.30 H new ATOM 370 N PRO A 26 -1.136 11.731 -1.314 1.00 74.12 N ATOM 371 CA PRO A 26 -0.692 11.407 0.045 1.00 60.34 C ATOM 372 C PRO A 26 -0.277 9.946 0.186 1.00 51.20 C ATOM 373 O PRO A 26 -1.107 9.042 0.086 1.00 34.23 O ATOM 374 CB PRO A 26 -1.927 11.697 0.901 1.00 74.14 C ATOM 375 CG PRO A 26 -3.079 11.541 -0.031 1.00 51.14 C ATOM 376 CD PRO A 26 -2.585 11.989 -1.379 1.00 63.11 C ATOM 0 HA PRO A 26 0.188 11.982 0.334 1.00 60.34 H new ATOM 0 HB2 PRO A 26 -1.999 11.004 1.739 1.00 74.14 H new ATOM 0 HB3 PRO A 26 -1.891 12.702 1.321 1.00 74.14 H new ATOM 0 HG2 PRO A 26 -3.417 10.505 -0.064 1.00 51.14 H new ATOM 0 HG3 PRO A 26 -3.928 12.143 0.293 1.00 51.14 H new ATOM 0 HD2 PRO A 26 -3.057 11.429 -2.186 1.00 63.11 H new ATOM 0 HD3 PRO A 26 -2.798 13.043 -1.555 1.00 63.11 H new ATOM 384 N LEU A 27 1.011 9.722 0.419 1.00 44.10 N ATOM 385 CA LEU A 27 1.537 8.370 0.575 1.00 52.12 C ATOM 386 C LEU A 27 1.424 7.906 2.023 1.00 32.43 C ATOM 387 O LEU A 27 0.916 8.629 2.880 1.00 55.33 O ATOM 388 CB LEU A 27 2.997 8.314 0.122 1.00 73.34 C ATOM 389 CG LEU A 27 3.867 9.509 0.511 1.00 51.44 C ATOM 390 CD1 LEU A 27 3.859 9.707 2.018 1.00 12.54 C ATOM 391 CD2 LEU A 27 5.289 9.321 0.003 1.00 2.51 C ATOM 0 H LEU A 27 1.711 10.459 0.504 1.00 44.10 H new ATOM 0 HA LEU A 27 0.944 7.702 -0.049 1.00 52.12 H new ATOM 0 HB2 LEU A 27 3.450 7.412 0.533 1.00 73.34 H new ATOM 0 HB3 LEU A 27 3.016 8.214 -0.963 1.00 73.34 H new ATOM 0 HG LEU A 27 3.452 10.403 0.046 1.00 51.44 H new ATOM 0 HD11 LEU A 27 4.484 10.562 2.276 1.00 12.54 H new ATOM 0 HD12 LEU A 27 2.839 9.888 2.356 1.00 12.54 H new ATOM 0 HD13 LEU A 27 4.249 8.813 2.505 1.00 12.54 H new ATOM 0 HD21 LEU A 27 5.894 10.181 0.289 1.00 2.51 H new ATOM 0 HD22 LEU A 27 5.714 8.417 0.439 1.00 2.51 H new ATOM 0 HD23 LEU A 27 5.278 9.230 -1.083 1.00 2.51 H new ATOM 403 N ARG A 28 1.903 6.695 2.290 1.00 33.11 N ATOM 404 CA ARG A 28 1.856 6.134 3.635 1.00 3.31 C ATOM 405 C ARG A 28 2.992 6.685 4.493 1.00 34.11 C ATOM 406 O ARG A 28 2.765 7.192 5.592 1.00 12.22 O ATOM 407 CB ARG A 28 1.940 4.608 3.578 1.00 64.14 C ATOM 408 CG ARG A 28 1.812 3.939 4.937 1.00 45.25 C ATOM 409 CD ARG A 28 0.653 2.955 4.966 1.00 3.55 C ATOM 410 NE ARG A 28 -0.559 3.554 5.519 1.00 4.34 N ATOM 411 CZ ARG A 28 -0.720 3.830 6.809 1.00 62.12 C ATOM 412 NH1 ARG A 28 0.249 3.562 7.673 1.00 1.35 N ATOM 413 NH2 ARG A 28 -1.852 4.375 7.236 1.00 62.14 N ATOM 0 H ARG A 28 2.328 6.084 1.593 1.00 33.11 H new ATOM 0 HA ARG A 28 0.908 6.422 4.089 1.00 3.31 H new ATOM 0 HB2 ARG A 28 1.153 4.234 2.923 1.00 64.14 H new ATOM 0 HB3 ARG A 28 2.891 4.322 3.130 1.00 64.14 H new ATOM 0 HG2 ARG A 28 2.739 3.418 5.176 1.00 45.25 H new ATOM 0 HG3 ARG A 28 1.666 4.698 5.705 1.00 45.25 H new ATOM 0 HD2 ARG A 28 0.453 2.600 3.955 1.00 3.55 H new ATOM 0 HD3 ARG A 28 0.931 2.085 5.560 1.00 3.55 H new ATOM 0 HE ARG A 28 -1.324 3.772 4.880 1.00 4.34 H new ATOM 0 HH11 ARG A 28 1.120 3.143 7.348 1.00 1.35 H new ATOM 0 HH12 ARG A 28 0.123 3.775 8.663 1.00 1.35 H new ATOM 0 HH21 ARG A 28 -2.600 4.582 6.574 1.00 62.14 H new ATOM 0 HH22 ARG A 28 -1.974 4.586 8.226 1.00 62.14 H new ATOM 427 N THR A 29 4.215 6.581 3.984 1.00 44.21 N ATOM 428 CA THR A 29 5.386 7.067 4.703 1.00 22.43 C ATOM 429 C THR A 29 6.591 7.186 3.776 1.00 14.15 C ATOM 430 O THR A 29 6.656 6.526 2.739 1.00 1.50 O ATOM 431 CB THR A 29 5.748 6.139 5.879 1.00 14.40 C ATOM 432 OG1 THR A 29 5.291 4.809 5.612 1.00 72.21 O ATOM 433 CG2 THR A 29 5.129 6.643 7.175 1.00 65.42 C ATOM 0 H THR A 29 4.421 6.164 3.076 1.00 44.21 H new ATOM 0 HA THR A 29 5.131 8.053 5.092 1.00 22.43 H new ATOM 0 HB THR A 29 6.832 6.134 5.990 1.00 14.40 H new ATOM 0 HG1 THR A 29 5.526 4.225 6.363 1.00 72.21 H new ATOM 0 HG21 THR A 29 5.398 5.973 7.991 1.00 65.42 H new ATOM 0 HG22 THR A 29 5.501 7.645 7.391 1.00 65.42 H new ATOM 0 HG23 THR A 29 4.044 6.673 7.072 1.00 65.42 H new ATOM 441 N VAL A 30 7.543 8.031 4.157 1.00 1.43 N ATOM 442 CA VAL A 30 8.747 8.236 3.361 1.00 60.13 C ATOM 443 C VAL A 30 10.001 7.915 4.167 1.00 15.00 C ATOM 444 O VAL A 30 10.055 8.161 5.372 1.00 64.20 O ATOM 445 CB VAL A 30 8.839 9.684 2.844 1.00 30.00 C ATOM 446 CG1 VAL A 30 8.681 10.671 3.990 1.00 11.24 C ATOM 447 CG2 VAL A 30 10.156 9.907 2.116 1.00 73.44 C ATOM 0 H VAL A 30 7.504 8.585 5.013 1.00 1.43 H new ATOM 0 HA VAL A 30 8.682 7.558 2.510 1.00 60.13 H new ATOM 0 HB VAL A 30 8.026 9.851 2.137 1.00 30.00 H new ATOM 0 HG11 VAL A 30 8.749 11.689 3.606 1.00 11.24 H new ATOM 0 HG12 VAL A 30 7.710 10.526 4.464 1.00 11.24 H new ATOM 0 HG13 VAL A 30 9.471 10.507 4.723 1.00 11.24 H new ATOM 0 HG21 VAL A 30 10.204 10.935 1.757 1.00 73.44 H new ATOM 0 HG22 VAL A 30 10.985 9.722 2.799 1.00 73.44 H new ATOM 0 HG23 VAL A 30 10.224 9.224 1.269 1.00 73.44 H new ATOM 457 N TRP A 31 11.005 7.365 3.494 1.00 10.43 N ATOM 458 CA TRP A 31 12.259 7.011 4.149 1.00 45.04 C ATOM 459 C TRP A 31 13.437 7.177 3.194 1.00 31.52 C ATOM 460 O TRP A 31 13.287 7.040 1.980 1.00 71.33 O ATOM 461 CB TRP A 31 12.202 5.571 4.662 1.00 13.41 C ATOM 462 CG TRP A 31 13.063 5.335 5.865 1.00 25.13 C ATOM 463 CD1 TRP A 31 12.956 5.944 7.083 1.00 34.41 C ATOM 464 CD2 TRP A 31 14.165 4.426 5.965 1.00 44.31 C ATOM 465 NE1 TRP A 31 13.924 5.468 7.934 1.00 42.12 N ATOM 466 CE2 TRP A 31 14.679 4.536 7.272 1.00 33.32 C ATOM 467 CE3 TRP A 31 14.767 3.530 5.078 1.00 21.51 C ATOM 468 CZ2 TRP A 31 15.765 3.783 7.710 1.00 32.25 C ATOM 469 CZ3 TRP A 31 15.845 2.783 5.515 1.00 42.34 C ATOM 470 CH2 TRP A 31 16.335 2.913 6.821 1.00 34.21 C ATOM 0 H TRP A 31 10.976 7.155 2.496 1.00 10.43 H new ATOM 0 HA TRP A 31 12.402 7.685 4.994 1.00 45.04 H new ATOM 0 HB2 TRP A 31 11.170 5.321 4.908 1.00 13.41 H new ATOM 0 HB3 TRP A 31 12.512 4.896 3.864 1.00 13.41 H new ATOM 0 HD1 TRP A 31 12.219 6.690 7.339 1.00 34.41 H new ATOM 0 HE1 TRP A 31 14.059 5.761 8.902 1.00 42.12 H new ATOM 0 HE3 TRP A 31 14.397 3.423 4.069 1.00 21.51 H new ATOM 0 HZ2 TRP A 31 16.144 3.882 8.716 1.00 32.25 H new ATOM 0 HZ3 TRP A 31 16.318 2.087 4.838 1.00 42.34 H new ATOM 0 HH2 TRP A 31 17.179 2.315 7.132 1.00 34.21 H new ATOM 481 N ILE A 32 14.607 7.471 3.751 1.00 40.25 N ATOM 482 CA ILE A 32 15.810 7.654 2.948 1.00 73.35 C ATOM 483 C ILE A 32 17.015 6.991 3.605 1.00 25.00 C ATOM 484 O ILE A 32 17.148 6.995 4.828 1.00 22.44 O ATOM 485 CB ILE A 32 16.117 9.146 2.725 1.00 54.34 C ATOM 486 CG1 ILE A 32 15.021 9.793 1.874 1.00 3.12 C ATOM 487 CG2 ILE A 32 17.477 9.314 2.064 1.00 54.44 C ATOM 488 CD1 ILE A 32 14.273 10.896 2.590 1.00 41.14 C ATOM 0 H ILE A 32 14.748 7.588 4.755 1.00 40.25 H new ATOM 0 HA ILE A 32 15.620 7.183 1.984 1.00 73.35 H new ATOM 0 HB ILE A 32 16.141 9.646 3.693 1.00 54.34 H new ATOM 0 HG12 ILE A 32 15.468 10.198 0.966 1.00 3.12 H new ATOM 0 HG13 ILE A 32 14.312 9.025 1.564 1.00 3.12 H new ATOM 0 HG21 ILE A 32 17.680 10.374 1.913 1.00 54.44 H new ATOM 0 HG22 ILE A 32 18.248 8.885 2.704 1.00 54.44 H new ATOM 0 HG23 ILE A 32 17.479 8.803 1.101 1.00 54.44 H new ATOM 0 HD11 ILE A 32 13.512 11.309 1.928 1.00 41.14 H new ATOM 0 HD12 ILE A 32 13.796 10.492 3.483 1.00 41.14 H new ATOM 0 HD13 ILE A 32 14.971 11.683 2.876 1.00 41.14 H new ATOM 500 N ALA A 33 17.893 6.424 2.784 1.00 42.13 N ATOM 501 CA ALA A 33 19.090 5.761 3.285 1.00 65.11 C ATOM 502 C ALA A 33 20.333 6.607 3.033 1.00 44.54 C ATOM 503 O ALA A 33 20.790 6.733 1.896 1.00 10.52 O ATOM 504 CB ALA A 33 19.243 4.391 2.641 1.00 23.44 C ATOM 0 H ALA A 33 17.797 6.411 1.769 1.00 42.13 H new ATOM 0 HA ALA A 33 18.981 5.635 4.362 1.00 65.11 H new ATOM 0 HB1 ALA A 33 20.141 3.907 3.024 1.00 23.44 H new ATOM 0 HB2 ALA A 33 18.372 3.779 2.877 1.00 23.44 H new ATOM 0 HB3 ALA A 33 19.325 4.504 1.560 1.00 23.44 H new ATOM 510 N ARG A 34 20.876 7.186 4.099 1.00 51.42 N ATOM 511 CA ARG A 34 22.065 8.023 3.992 1.00 61.10 C ATOM 512 C ARG A 34 23.318 7.168 3.823 1.00 32.13 C ATOM 513 O ARG A 34 24.310 7.611 3.247 1.00 61.45 O ATOM 514 CB ARG A 34 22.203 8.910 5.230 1.00 4.43 C ATOM 515 CG ARG A 34 22.332 10.390 4.908 1.00 42.13 C ATOM 516 CD ARG A 34 23.780 10.850 4.969 1.00 24.30 C ATOM 517 NE ARG A 34 24.153 11.642 3.800 1.00 23.12 N ATOM 518 CZ ARG A 34 23.704 12.871 3.572 1.00 61.02 C ATOM 519 NH1 ARG A 34 22.870 13.445 4.428 1.00 45.52 N ATOM 520 NH2 ARG A 34 24.089 13.528 2.485 1.00 3.23 N ATOM 0 H ARG A 34 20.511 7.091 5.047 1.00 51.42 H new ATOM 0 HA ARG A 34 21.956 8.655 3.111 1.00 61.10 H new ATOM 0 HB2 ARG A 34 21.335 8.761 5.872 1.00 4.43 H new ATOM 0 HB3 ARG A 34 23.078 8.593 5.798 1.00 4.43 H new ATOM 0 HG2 ARG A 34 21.929 10.583 3.914 1.00 42.13 H new ATOM 0 HG3 ARG A 34 21.735 10.970 5.612 1.00 42.13 H new ATOM 0 HD2 ARG A 34 23.935 11.441 5.872 1.00 24.30 H new ATOM 0 HD3 ARG A 34 24.434 9.981 5.041 1.00 24.30 H new ATOM 0 HE ARG A 34 24.793 11.229 3.122 1.00 23.12 H new ATOM 0 HH11 ARG A 34 22.572 12.943 5.264 1.00 45.52 H new ATOM 0 HH12 ARG A 34 22.527 14.389 4.250 1.00 45.52 H new ATOM 0 HH21 ARG A 34 24.730 13.089 1.824 1.00 3.23 H new ATOM 0 HH22 ARG A 34 23.744 14.472 2.310 1.00 3.23 H new ATOM 534 N ASN A 35 23.263 5.941 4.332 1.00 44.05 N ATOM 535 CA ASN A 35 24.394 5.024 4.238 1.00 11.32 C ATOM 536 C ASN A 35 24.936 4.973 2.813 1.00 5.12 C ATOM 537 O ASN A 35 26.100 5.280 2.554 1.00 2.21 O ATOM 538 CB ASN A 35 23.979 3.622 4.689 1.00 52.35 C ATOM 539 CG ASN A 35 24.411 3.320 6.110 1.00 23.13 C ATOM 540 OD1 ASN A 35 24.363 4.187 6.983 1.00 24.21 O ATOM 541 ND2 ASN A 35 24.837 2.085 6.349 1.00 31.11 N ATOM 0 H ASN A 35 22.449 5.559 4.813 1.00 44.05 H new ATOM 0 HA ASN A 35 25.183 5.391 4.894 1.00 11.32 H new ATOM 0 HB2 ASN A 35 22.896 3.525 4.613 1.00 52.35 H new ATOM 0 HB3 ASN A 35 24.413 2.883 4.015 1.00 52.35 H new ATOM 0 HD21 ASN A 35 25.141 1.823 7.287 1.00 31.11 H new ATOM 0 HD22 ASN A 35 24.860 1.399 5.595 1.00 31.11 H new ATOM 548 N PRO A 36 24.074 4.576 1.866 1.00 41.34 N ATOM 549 CA PRO A 36 24.444 4.476 0.451 1.00 54.54 C ATOM 550 C PRO A 36 24.668 5.843 -0.188 1.00 10.03 C ATOM 551 O PRO A 36 24.370 6.885 0.397 1.00 24.43 O ATOM 552 CB PRO A 36 23.236 3.782 -0.183 1.00 72.03 C ATOM 553 CG PRO A 36 22.095 4.110 0.717 1.00 52.15 C ATOM 554 CD PRO A 36 22.672 4.195 2.103 1.00 74.04 C ATOM 0 HA PRO A 36 25.383 3.940 0.312 1.00 54.54 H new ATOM 0 HB2 PRO A 36 23.058 4.144 -1.196 1.00 72.03 H new ATOM 0 HB3 PRO A 36 23.389 2.705 -0.252 1.00 72.03 H new ATOM 0 HG2 PRO A 36 21.630 5.053 0.429 1.00 52.15 H new ATOM 0 HG3 PRO A 36 21.322 3.343 0.662 1.00 52.15 H new ATOM 0 HD2 PRO A 36 22.151 4.936 2.710 1.00 74.04 H new ATOM 0 HD3 PRO A 36 22.598 3.243 2.628 1.00 74.04 H new ATOM 562 N PRO A 37 25.205 5.842 -1.417 1.00 31.11 N ATOM 563 CA PRO A 37 25.480 7.074 -2.162 1.00 10.34 C ATOM 564 C PRO A 37 24.204 7.776 -2.613 1.00 74.33 C ATOM 565 O PRO A 37 24.195 8.985 -2.840 1.00 20.14 O ATOM 566 CB PRO A 37 26.279 6.586 -3.373 1.00 10.05 C ATOM 567 CG PRO A 37 25.863 5.167 -3.554 1.00 53.20 C ATOM 568 CD PRO A 37 25.584 4.638 -2.174 1.00 64.45 C ATOM 0 HA PRO A 37 26.008 7.808 -1.554 1.00 10.34 H new ATOM 0 HB2 PRO A 37 26.057 7.180 -4.260 1.00 10.05 H new ATOM 0 HB3 PRO A 37 27.352 6.665 -3.197 1.00 10.05 H new ATOM 0 HG2 PRO A 37 24.977 5.098 -4.185 1.00 53.20 H new ATOM 0 HG3 PRO A 37 26.648 4.589 -4.042 1.00 53.20 H new ATOM 0 HD2 PRO A 37 24.783 3.899 -2.181 1.00 64.45 H new ATOM 0 HD3 PRO A 37 26.461 4.153 -1.745 1.00 64.45 H new ATOM 576 N GLY A 38 23.126 7.008 -2.742 1.00 55.13 N ATOM 577 CA GLY A 38 21.858 7.574 -3.166 1.00 42.11 C ATOM 578 C GLY A 38 20.773 6.525 -3.308 1.00 2.23 C ATOM 579 O GLY A 38 20.494 6.055 -4.411 1.00 24.22 O ATOM 0 H GLY A 38 23.108 6.004 -2.561 1.00 55.13 H new ATOM 0 HA2 GLY A 38 21.540 8.326 -2.444 1.00 42.11 H new ATOM 0 HA3 GLY A 38 21.992 8.085 -4.120 1.00 42.11 H new ATOM 583 N PHE A 39 20.160 6.156 -2.188 1.00 72.22 N ATOM 584 CA PHE A 39 19.101 5.153 -2.192 1.00 13.43 C ATOM 585 C PHE A 39 18.069 5.449 -1.107 1.00 72.42 C ATOM 586 O PHE A 39 18.395 5.498 0.078 1.00 4.13 O ATOM 587 CB PHE A 39 19.691 3.757 -1.984 1.00 35.12 C ATOM 588 CG PHE A 39 20.364 3.202 -3.207 1.00 14.34 C ATOM 589 CD1 PHE A 39 19.749 3.277 -4.446 1.00 34.51 C ATOM 590 CD2 PHE A 39 21.611 2.606 -3.117 1.00 1.14 C ATOM 591 CE1 PHE A 39 20.365 2.767 -5.573 1.00 43.44 C ATOM 592 CE2 PHE A 39 22.233 2.096 -4.241 1.00 31.25 C ATOM 593 CZ PHE A 39 21.609 2.175 -5.470 1.00 53.31 C ATOM 0 H PHE A 39 20.378 6.536 -1.267 1.00 72.22 H new ATOM 0 HA PHE A 39 18.604 5.188 -3.161 1.00 13.43 H new ATOM 0 HB2 PHE A 39 20.412 3.794 -1.168 1.00 35.12 H new ATOM 0 HB3 PHE A 39 18.896 3.077 -1.677 1.00 35.12 H new ATOM 0 HD1 PHE A 39 18.777 3.739 -4.532 1.00 34.51 H new ATOM 0 HD2 PHE A 39 22.103 2.539 -2.158 1.00 1.14 H new ATOM 0 HE1 PHE A 39 19.875 2.831 -6.533 1.00 43.44 H new ATOM 0 HE2 PHE A 39 23.207 1.636 -4.158 1.00 31.25 H new ATOM 0 HZ PHE A 39 22.092 1.775 -6.349 1.00 53.31 H new ATOM 603 N ALA A 40 16.822 5.644 -1.523 1.00 12.41 N ATOM 604 CA ALA A 40 15.741 5.933 -0.588 1.00 44.31 C ATOM 605 C ALA A 40 14.554 5.004 -0.817 1.00 42.00 C ATOM 606 O ALA A 40 14.390 4.446 -1.902 1.00 62.30 O ATOM 607 CB ALA A 40 15.309 7.387 -0.714 1.00 74.54 C ATOM 0 H ALA A 40 16.535 5.607 -2.501 1.00 12.41 H new ATOM 0 HA ALA A 40 16.112 5.762 0.423 1.00 44.31 H new ATOM 0 HB1 ALA A 40 14.501 7.589 -0.010 1.00 74.54 H new ATOM 0 HB2 ALA A 40 16.155 8.038 -0.493 1.00 74.54 H new ATOM 0 HB3 ALA A 40 14.961 7.577 -1.729 1.00 74.54 H new ATOM 613 N PHE A 41 13.729 4.842 0.212 1.00 72.32 N ATOM 614 CA PHE A 41 12.557 3.978 0.123 1.00 41.20 C ATOM 615 C PHE A 41 11.297 4.725 0.552 1.00 64.12 C ATOM 616 O PHE A 41 11.337 5.569 1.448 1.00 73.55 O ATOM 617 CB PHE A 41 12.747 2.734 0.993 1.00 22.00 C ATOM 618 CG PHE A 41 13.144 1.513 0.214 1.00 31.40 C ATOM 619 CD1 PHE A 41 14.454 1.335 -0.201 1.00 30.55 C ATOM 620 CD2 PHE A 41 12.207 0.542 -0.103 1.00 40.42 C ATOM 621 CE1 PHE A 41 14.821 0.212 -0.918 1.00 64.02 C ATOM 622 CE2 PHE A 41 12.569 -0.583 -0.820 1.00 53.53 C ATOM 623 CZ PHE A 41 13.878 -0.748 -1.227 1.00 71.34 C ATOM 0 H PHE A 41 13.850 5.297 1.117 1.00 72.32 H new ATOM 0 HA PHE A 41 12.440 3.671 -0.917 1.00 41.20 H new ATOM 0 HB2 PHE A 41 13.509 2.939 1.745 1.00 22.00 H new ATOM 0 HB3 PHE A 41 11.819 2.529 1.527 1.00 22.00 H new ATOM 0 HD1 PHE A 41 15.196 2.082 0.038 1.00 30.55 H new ATOM 0 HD2 PHE A 41 11.182 0.666 0.214 1.00 40.42 H new ATOM 0 HE1 PHE A 41 15.845 0.085 -1.237 1.00 64.02 H new ATOM 0 HE2 PHE A 41 11.829 -1.332 -1.061 1.00 53.53 H new ATOM 0 HZ PHE A 41 14.164 -1.627 -1.786 1.00 71.34 H new ATOM 633 N VAL A 42 10.180 4.408 -0.095 1.00 10.40 N ATOM 634 CA VAL A 42 8.908 5.048 0.219 1.00 72.03 C ATOM 635 C VAL A 42 7.768 4.035 0.215 1.00 1.50 C ATOM 636 O VAL A 42 7.818 3.033 -0.497 1.00 1.20 O ATOM 637 CB VAL A 42 8.584 6.173 -0.782 1.00 15.11 C ATOM 638 CG1 VAL A 42 7.302 6.889 -0.383 1.00 42.44 C ATOM 639 CG2 VAL A 42 9.744 7.152 -0.877 1.00 0.14 C ATOM 0 H VAL A 42 10.130 3.712 -0.839 1.00 10.40 H new ATOM 0 HA VAL A 42 9.006 5.476 1.216 1.00 72.03 H new ATOM 0 HB VAL A 42 8.433 5.729 -1.766 1.00 15.11 H new ATOM 0 HG11 VAL A 42 7.089 7.681 -1.101 1.00 42.44 H new ATOM 0 HG12 VAL A 42 6.476 6.177 -0.371 1.00 42.44 H new ATOM 0 HG13 VAL A 42 7.421 7.323 0.610 1.00 42.44 H new ATOM 0 HG21 VAL A 42 9.498 7.940 -1.589 1.00 0.14 H new ATOM 0 HG22 VAL A 42 9.929 7.593 0.103 1.00 0.14 H new ATOM 0 HG23 VAL A 42 10.638 6.626 -1.213 1.00 0.14 H new ATOM 649 N GLU A 43 6.741 4.305 1.015 1.00 4.33 N ATOM 650 CA GLU A 43 5.589 3.417 1.104 1.00 32.40 C ATOM 651 C GLU A 43 4.300 4.162 0.768 1.00 62.33 C ATOM 652 O GLU A 43 4.006 5.208 1.346 1.00 51.12 O ATOM 653 CB GLU A 43 5.490 2.812 2.506 1.00 71.30 C ATOM 654 CG GLU A 43 4.513 1.652 2.601 1.00 63.52 C ATOM 655 CD GLU A 43 4.471 1.037 3.986 1.00 34.33 C ATOM 656 OE1 GLU A 43 5.523 1.018 4.659 1.00 72.42 O ATOM 657 OE2 GLU A 43 3.386 0.575 4.398 1.00 61.42 O ATOM 0 H GLU A 43 6.684 5.131 1.610 1.00 4.33 H new ATOM 0 HA GLU A 43 5.725 2.615 0.379 1.00 32.40 H new ATOM 0 HB2 GLU A 43 6.478 2.470 2.816 1.00 71.30 H new ATOM 0 HB3 GLU A 43 5.187 3.589 3.207 1.00 71.30 H new ATOM 0 HG2 GLU A 43 3.516 1.999 2.331 1.00 63.52 H new ATOM 0 HG3 GLU A 43 4.791 0.887 1.876 1.00 63.52 H new ATOM 664 N PHE A 44 3.536 3.615 -0.172 1.00 34.03 N ATOM 665 CA PHE A 44 2.279 4.228 -0.587 1.00 62.42 C ATOM 666 C PHE A 44 1.087 3.413 -0.093 1.00 3.35 C ATOM 667 O PHE A 44 0.955 2.232 -0.412 1.00 13.34 O ATOM 668 CB PHE A 44 2.228 4.354 -2.111 1.00 60.52 C ATOM 669 CG PHE A 44 2.127 5.773 -2.592 1.00 65.24 C ATOM 670 CD1 PHE A 44 0.999 6.531 -2.325 1.00 30.31 C ATOM 671 CD2 PHE A 44 3.161 6.349 -3.313 1.00 25.21 C ATOM 672 CE1 PHE A 44 0.903 7.837 -2.766 1.00 4.21 C ATOM 673 CE2 PHE A 44 3.072 7.655 -3.756 1.00 73.21 C ATOM 674 CZ PHE A 44 1.941 8.400 -3.483 1.00 71.54 C ATOM 0 H PHE A 44 3.765 2.749 -0.660 1.00 34.03 H new ATOM 0 HA PHE A 44 2.225 5.223 -0.145 1.00 62.42 H new ATOM 0 HB2 PHE A 44 3.122 3.898 -2.535 1.00 60.52 H new ATOM 0 HB3 PHE A 44 1.374 3.790 -2.486 1.00 60.52 H new ATOM 0 HD1 PHE A 44 0.184 6.096 -1.765 1.00 30.31 H new ATOM 0 HD2 PHE A 44 4.047 5.771 -3.531 1.00 25.21 H new ATOM 0 HE1 PHE A 44 0.018 8.417 -2.550 1.00 4.21 H new ATOM 0 HE2 PHE A 44 3.886 8.093 -4.315 1.00 73.21 H new ATOM 0 HZ PHE A 44 1.868 9.420 -3.829 1.00 71.54 H new ATOM 684 N GLU A 45 0.224 4.054 0.689 1.00 54.21 N ATOM 685 CA GLU A 45 -0.956 3.389 1.229 1.00 73.12 C ATOM 686 C GLU A 45 -1.739 2.687 0.123 1.00 61.12 C ATOM 687 O GLU A 45 -2.321 1.624 0.338 1.00 30.34 O ATOM 688 CB GLU A 45 -1.856 4.399 1.943 1.00 14.04 C ATOM 689 CG GLU A 45 -2.501 5.408 1.008 1.00 1.32 C ATOM 690 CD GLU A 45 -3.082 6.599 1.746 1.00 44.22 C ATOM 691 OE1 GLU A 45 -2.323 7.552 2.023 1.00 72.01 O ATOM 692 OE2 GLU A 45 -4.293 6.578 2.046 1.00 14.50 O ATOM 0 H GLU A 45 0.320 5.032 0.962 1.00 54.21 H new ATOM 0 HA GLU A 45 -0.622 2.639 1.947 1.00 73.12 H new ATOM 0 HB2 GLU A 45 -2.638 3.861 2.478 1.00 14.04 H new ATOM 0 HB3 GLU A 45 -1.268 4.933 2.690 1.00 14.04 H new ATOM 0 HG2 GLU A 45 -1.760 5.757 0.289 1.00 1.32 H new ATOM 0 HG3 GLU A 45 -3.291 4.917 0.439 1.00 1.32 H new ATOM 699 N ASP A 46 -1.748 3.290 -1.061 1.00 34.41 N ATOM 700 CA ASP A 46 -2.459 2.723 -2.202 1.00 3.23 C ATOM 701 C ASP A 46 -1.496 2.421 -3.346 1.00 21.34 C ATOM 702 O ASP A 46 -0.517 3.133 -3.571 1.00 31.14 O ATOM 703 CB ASP A 46 -3.550 3.683 -2.678 1.00 33.13 C ATOM 704 CG ASP A 46 -4.935 3.069 -2.600 1.00 44.52 C ATOM 705 OD1 ASP A 46 -5.477 2.970 -1.480 1.00 61.50 O ATOM 706 OD2 ASP A 46 -5.475 2.688 -3.660 1.00 12.52 O ATOM 0 H ASP A 46 -1.272 4.171 -1.256 1.00 34.41 H new ATOM 0 HA ASP A 46 -2.921 1.789 -1.883 1.00 3.23 H new ATOM 0 HB2 ASP A 46 -3.523 4.589 -2.072 1.00 33.13 H new ATOM 0 HB3 ASP A 46 -3.345 3.981 -3.706 1.00 33.13 H new ATOM 711 N PRO A 47 -1.778 1.338 -4.086 1.00 45.30 N ATOM 712 CA PRO A 47 -0.948 0.916 -5.219 1.00 11.33 C ATOM 713 C PRO A 47 -1.052 1.873 -6.401 1.00 42.24 C ATOM 714 O PRO A 47 -0.040 2.297 -6.960 1.00 4.05 O ATOM 715 CB PRO A 47 -1.522 -0.454 -5.588 1.00 12.14 C ATOM 716 CG PRO A 47 -2.933 -0.415 -5.110 1.00 4.15 C ATOM 717 CD PRO A 47 -2.928 0.443 -3.875 1.00 3.42 C ATOM 0 HA PRO A 47 0.111 0.895 -4.963 1.00 11.33 H new ATOM 0 HB2 PRO A 47 -1.473 -0.627 -6.663 1.00 12.14 H new ATOM 0 HB3 PRO A 47 -0.964 -1.259 -5.110 1.00 12.14 H new ATOM 0 HG2 PRO A 47 -3.592 0.002 -5.872 1.00 4.15 H new ATOM 0 HG3 PRO A 47 -3.297 -1.418 -4.887 1.00 4.15 H new ATOM 0 HD2 PRO A 47 -3.858 1.002 -3.770 1.00 3.42 H new ATOM 0 HD3 PRO A 47 -2.811 -0.155 -2.971 1.00 3.42 H new ATOM 725 N ARG A 48 -2.281 2.210 -6.778 1.00 41.02 N ATOM 726 CA ARG A 48 -2.516 3.117 -7.895 1.00 71.34 C ATOM 727 C ARG A 48 -1.702 4.398 -7.737 1.00 32.44 C ATOM 728 O ARG A 48 -1.147 4.916 -8.705 1.00 42.13 O ATOM 729 CB ARG A 48 -4.004 3.455 -8.001 1.00 12.13 C ATOM 730 CG ARG A 48 -4.312 4.538 -9.022 1.00 62.33 C ATOM 731 CD ARG A 48 -5.783 4.539 -9.407 1.00 31.11 C ATOM 732 NE ARG A 48 -6.655 4.568 -8.236 1.00 20.13 N ATOM 733 CZ ARG A 48 -7.981 4.517 -8.305 1.00 5.02 C ATOM 734 NH1 ARG A 48 -8.584 4.434 -9.483 1.00 5.53 N ATOM 735 NH2 ARG A 48 -8.706 4.548 -7.194 1.00 42.11 N ATOM 0 H ARG A 48 -3.129 1.869 -6.326 1.00 41.02 H new ATOM 0 HA ARG A 48 -2.198 2.616 -8.809 1.00 71.34 H new ATOM 0 HB2 ARG A 48 -4.555 2.552 -8.264 1.00 12.13 H new ATOM 0 HB3 ARG A 48 -4.366 3.775 -7.024 1.00 12.13 H new ATOM 0 HG2 ARG A 48 -4.041 5.512 -8.614 1.00 62.33 H new ATOM 0 HG3 ARG A 48 -3.702 4.384 -9.912 1.00 62.33 H new ATOM 0 HD2 ARG A 48 -5.992 5.404 -10.036 1.00 31.11 H new ATOM 0 HD3 ARG A 48 -6.003 3.652 -10.001 1.00 31.11 H new ATOM 0 HE ARG A 48 -6.222 4.631 -7.314 1.00 20.13 H new ATOM 0 HH11 ARG A 48 -8.030 4.409 -10.339 1.00 5.53 H new ATOM 0 HH12 ARG A 48 -9.602 4.395 -9.533 1.00 5.53 H new ATOM 0 HH21 ARG A 48 -8.245 4.611 -6.286 1.00 42.11 H new ATOM 0 HH22 ARG A 48 -9.724 4.509 -7.248 1.00 42.11 H new ATOM 749 N ASP A 49 -1.637 4.902 -6.510 1.00 2.44 N ATOM 750 CA ASP A 49 -0.891 6.122 -6.223 1.00 43.35 C ATOM 751 C ASP A 49 0.611 5.883 -6.349 1.00 33.13 C ATOM 752 O ASP A 49 1.355 6.761 -6.783 1.00 41.32 O ATOM 753 CB ASP A 49 -1.223 6.632 -4.820 1.00 72.41 C ATOM 754 CG ASP A 49 -2.717 6.715 -4.573 1.00 63.12 C ATOM 755 OD1 ASP A 49 -3.466 6.956 -5.543 1.00 32.11 O ATOM 756 OD2 ASP A 49 -3.136 6.538 -3.411 1.00 11.25 O ATOM 0 H ASP A 49 -2.092 4.485 -5.698 1.00 2.44 H new ATOM 0 HA ASP A 49 -1.183 6.877 -6.953 1.00 43.35 H new ATOM 0 HB2 ASP A 49 -0.771 5.971 -4.080 1.00 72.41 H new ATOM 0 HB3 ASP A 49 -0.779 7.618 -4.680 1.00 72.41 H new ATOM 761 N ALA A 50 1.048 4.689 -5.964 1.00 65.51 N ATOM 762 CA ALA A 50 2.460 4.333 -6.034 1.00 44.42 C ATOM 763 C ALA A 50 2.912 4.160 -7.480 1.00 74.24 C ATOM 764 O ALA A 50 3.968 4.654 -7.874 1.00 31.34 O ATOM 765 CB ALA A 50 2.725 3.063 -5.241 1.00 21.45 C ATOM 0 H ALA A 50 0.445 3.951 -5.600 1.00 65.51 H new ATOM 0 HA ALA A 50 3.036 5.148 -5.596 1.00 44.42 H new ATOM 0 HB1 ALA A 50 3.783 2.810 -5.303 1.00 21.45 H new ATOM 0 HB2 ALA A 50 2.450 3.221 -4.198 1.00 21.45 H new ATOM 0 HB3 ALA A 50 2.132 2.246 -5.653 1.00 21.45 H new ATOM 771 N GLU A 51 2.104 3.455 -8.267 1.00 25.42 N ATOM 772 CA GLU A 51 2.423 3.215 -9.669 1.00 42.25 C ATOM 773 C GLU A 51 2.393 4.518 -10.464 1.00 61.42 C ATOM 774 O GLU A 51 3.244 4.753 -11.323 1.00 14.35 O ATOM 775 CB GLU A 51 1.439 2.212 -10.275 1.00 51.52 C ATOM 776 CG GLU A 51 -0.011 2.660 -10.198 1.00 40.43 C ATOM 777 CD GLU A 51 -0.973 1.615 -10.728 1.00 14.13 C ATOM 778 OE1 GLU A 51 -0.721 0.412 -10.512 1.00 24.52 O ATOM 779 OE2 GLU A 51 -1.980 2.001 -11.358 1.00 11.51 O ATOM 0 H GLU A 51 1.225 3.041 -7.957 1.00 25.42 H new ATOM 0 HA GLU A 51 3.430 2.801 -9.720 1.00 42.25 H new ATOM 0 HB2 GLU A 51 1.703 2.042 -11.319 1.00 51.52 H new ATOM 0 HB3 GLU A 51 1.543 1.257 -9.760 1.00 51.52 H new ATOM 0 HG2 GLU A 51 -0.262 2.888 -9.162 1.00 40.43 H new ATOM 0 HG3 GLU A 51 -0.133 3.582 -10.766 1.00 40.43 H new ATOM 786 N ASP A 52 1.408 5.359 -10.172 1.00 54.10 N ATOM 787 CA ASP A 52 1.266 6.638 -10.858 1.00 53.11 C ATOM 788 C ASP A 52 2.427 7.568 -10.520 1.00 70.11 C ATOM 789 O ASP A 52 3.037 8.163 -11.408 1.00 24.33 O ATOM 790 CB ASP A 52 -0.060 7.300 -10.480 1.00 33.32 C ATOM 791 CG ASP A 52 -1.226 6.765 -11.289 1.00 23.13 C ATOM 792 OD1 ASP A 52 -1.047 6.531 -12.502 1.00 72.40 O ATOM 793 OD2 ASP A 52 -2.317 6.581 -10.709 1.00 5.55 O ATOM 0 H ASP A 52 0.696 5.178 -9.465 1.00 54.10 H new ATOM 0 HA ASP A 52 1.276 6.449 -11.931 1.00 53.11 H new ATOM 0 HB2 ASP A 52 -0.253 7.139 -9.419 1.00 33.32 H new ATOM 0 HB3 ASP A 52 0.019 8.377 -10.630 1.00 33.32 H new ATOM 798 N ALA A 53 2.726 7.689 -9.231 1.00 34.43 N ATOM 799 CA ALA A 53 3.814 8.545 -8.776 1.00 32.05 C ATOM 800 C ALA A 53 5.142 8.118 -9.390 1.00 24.31 C ATOM 801 O ALA A 53 5.849 8.927 -9.990 1.00 42.34 O ATOM 802 CB ALA A 53 3.902 8.525 -7.257 1.00 34.53 C ATOM 0 H ALA A 53 2.230 7.205 -8.483 1.00 34.43 H new ATOM 0 HA ALA A 53 3.603 9.563 -9.103 1.00 32.05 H new ATOM 0 HB1 ALA A 53 4.719 9.169 -6.931 1.00 34.53 H new ATOM 0 HB2 ALA A 53 2.965 8.886 -6.833 1.00 34.53 H new ATOM 0 HB3 ALA A 53 4.085 7.506 -6.917 1.00 34.53 H new ATOM 808 N VAL A 54 5.477 6.841 -9.235 1.00 62.53 N ATOM 809 CA VAL A 54 6.721 6.305 -9.775 1.00 43.53 C ATOM 810 C VAL A 54 6.807 6.528 -11.281 1.00 44.11 C ATOM 811 O VAL A 54 7.766 7.120 -11.777 1.00 51.25 O ATOM 812 CB VAL A 54 6.859 4.800 -9.481 1.00 62.13 C ATOM 813 CG1 VAL A 54 8.123 4.244 -10.120 1.00 1.51 C ATOM 814 CG2 VAL A 54 6.855 4.548 -7.981 1.00 71.21 C ATOM 0 H VAL A 54 4.904 6.158 -8.740 1.00 62.53 H new ATOM 0 HA VAL A 54 7.535 6.839 -9.284 1.00 43.53 H new ATOM 0 HB VAL A 54 6.004 4.283 -9.916 1.00 62.13 H new ATOM 0 HG11 VAL A 54 8.203 3.179 -9.901 1.00 1.51 H new ATOM 0 HG12 VAL A 54 8.080 4.390 -11.199 1.00 1.51 H new ATOM 0 HG13 VAL A 54 8.993 4.764 -9.718 1.00 1.51 H new ATOM 0 HG21 VAL A 54 6.953 3.479 -7.791 1.00 71.21 H new ATOM 0 HG22 VAL A 54 7.690 5.076 -7.521 1.00 71.21 H new ATOM 0 HG23 VAL A 54 5.919 4.908 -7.554 1.00 71.21 H new ATOM 824 N ARG A 55 5.799 6.050 -12.003 1.00 2.01 N ATOM 825 CA ARG A 55 5.761 6.196 -13.453 1.00 40.10 C ATOM 826 C ARG A 55 5.968 7.653 -13.858 1.00 74.43 C ATOM 827 O ARG A 55 6.655 7.944 -14.836 1.00 50.11 O ATOM 828 CB ARG A 55 4.428 5.687 -14.003 1.00 73.44 C ATOM 829 CG ARG A 55 4.340 4.171 -14.080 1.00 52.24 C ATOM 830 CD ARG A 55 2.953 3.715 -14.506 1.00 62.44 C ATOM 831 NE ARG A 55 2.637 2.381 -14.002 1.00 1.12 N ATOM 832 CZ ARG A 55 3.207 1.270 -14.454 1.00 60.24 C ATOM 833 NH1 ARG A 55 4.118 1.332 -15.416 1.00 12.21 N ATOM 834 NH2 ARG A 55 2.867 0.093 -13.945 1.00 14.04 N ATOM 0 H ARG A 55 4.998 5.558 -11.607 1.00 2.01 H new ATOM 0 HA ARG A 55 6.571 5.601 -13.875 1.00 40.10 H new ATOM 0 HB2 ARG A 55 3.619 6.058 -13.373 1.00 73.44 H new ATOM 0 HB3 ARG A 55 4.273 6.103 -14.999 1.00 73.44 H new ATOM 0 HG2 ARG A 55 5.080 3.798 -14.788 1.00 52.24 H new ATOM 0 HG3 ARG A 55 4.583 3.741 -13.108 1.00 52.24 H new ATOM 0 HD2 ARG A 55 2.210 4.425 -14.143 1.00 62.44 H new ATOM 0 HD3 ARG A 55 2.889 3.716 -15.594 1.00 62.44 H new ATOM 0 HE ARG A 55 1.940 2.298 -13.262 1.00 1.12 H new ATOM 0 HH11 ARG A 55 4.382 2.235 -15.811 1.00 12.21 H new ATOM 0 HH12 ARG A 55 4.554 0.477 -15.761 1.00 12.21 H new ATOM 0 HH21 ARG A 55 2.167 0.040 -13.205 1.00 14.04 H new ATOM 0 HH22 ARG A 55 3.306 -0.759 -14.293 1.00 14.04 H new ATOM 848 N GLY A 56 5.367 8.564 -13.099 1.00 74.01 N ATOM 849 CA GLY A 56 5.496 9.979 -13.395 1.00 62.35 C ATOM 850 C GLY A 56 6.889 10.505 -13.111 1.00 51.34 C ATOM 851 O GLY A 56 7.543 11.061 -13.995 1.00 70.21 O ATOM 0 H GLY A 56 4.793 8.347 -12.284 1.00 74.01 H new ATOM 0 HA2 GLY A 56 5.252 10.152 -14.443 1.00 62.35 H new ATOM 0 HA3 GLY A 56 4.772 10.539 -12.803 1.00 62.35 H new ATOM 855 N LEU A 57 7.344 10.333 -11.875 1.00 70.04 N ATOM 856 CA LEU A 57 8.668 10.797 -11.476 1.00 63.31 C ATOM 857 C LEU A 57 9.748 10.200 -12.374 1.00 14.41 C ATOM 858 O LEU A 57 10.562 10.924 -12.947 1.00 4.24 O ATOM 859 CB LEU A 57 8.941 10.427 -10.017 1.00 1.30 C ATOM 860 CG LEU A 57 7.991 11.032 -8.983 1.00 3.34 C ATOM 861 CD1 LEU A 57 8.272 10.460 -7.602 1.00 14.44 C ATOM 862 CD2 LEU A 57 8.114 12.549 -8.969 1.00 1.13 C ATOM 0 H LEU A 57 6.816 9.876 -11.132 1.00 70.04 H new ATOM 0 HA LEU A 57 8.693 11.882 -11.581 1.00 63.31 H new ATOM 0 HB2 LEU A 57 8.903 9.342 -9.925 1.00 1.30 H new ATOM 0 HB3 LEU A 57 9.958 10.732 -9.770 1.00 1.30 H new ATOM 0 HG LEU A 57 6.969 10.773 -9.261 1.00 3.34 H new ATOM 0 HD11 LEU A 57 7.587 10.902 -6.879 1.00 14.44 H new ATOM 0 HD12 LEU A 57 8.133 9.379 -7.621 1.00 14.44 H new ATOM 0 HD13 LEU A 57 9.299 10.689 -7.316 1.00 14.44 H new ATOM 0 HD21 LEU A 57 7.431 12.963 -8.227 1.00 1.13 H new ATOM 0 HD22 LEU A 57 9.137 12.829 -8.716 1.00 1.13 H new ATOM 0 HD23 LEU A 57 7.863 12.944 -9.954 1.00 1.13 H new ATOM 874 N ASP A 58 9.746 8.877 -12.493 1.00 52.44 N ATOM 875 CA ASP A 58 10.723 8.183 -13.324 1.00 52.45 C ATOM 876 C ASP A 58 10.508 8.506 -14.800 1.00 2.21 C ATOM 877 O ASP A 58 11.458 8.553 -15.580 1.00 42.31 O ATOM 878 CB ASP A 58 10.633 6.673 -13.102 1.00 35.04 C ATOM 879 CG ASP A 58 11.984 6.048 -12.813 1.00 55.53 C ATOM 880 OD1 ASP A 58 12.818 6.714 -12.166 1.00 3.12 O ATOM 881 OD2 ASP A 58 12.206 4.894 -13.236 1.00 5.42 O ATOM 0 H ASP A 58 9.079 8.264 -12.025 1.00 52.44 H new ATOM 0 HA ASP A 58 11.717 8.526 -13.036 1.00 52.45 H new ATOM 0 HB2 ASP A 58 9.957 6.471 -12.271 1.00 35.04 H new ATOM 0 HB3 ASP A 58 10.201 6.204 -13.986 1.00 35.04 H new ATOM 886 N GLY A 59 9.252 8.727 -15.176 1.00 31.13 N ATOM 887 CA GLY A 59 8.935 9.041 -16.557 1.00 1.03 C ATOM 888 C GLY A 59 9.265 10.477 -16.915 1.00 35.40 C ATOM 889 O GLY A 59 9.349 10.827 -18.092 1.00 50.22 O ATOM 0 H GLY A 59 8.448 8.694 -14.549 1.00 31.13 H new ATOM 0 HA2 GLY A 59 9.487 8.370 -17.215 1.00 1.03 H new ATOM 0 HA3 GLY A 59 7.875 8.860 -16.733 1.00 1.03 H new ATOM 893 N LYS A 60 9.450 11.311 -15.898 1.00 32.03 N ATOM 894 CA LYS A 60 9.771 12.717 -16.110 1.00 3.32 C ATOM 895 C LYS A 60 10.381 13.331 -14.854 1.00 2.42 C ATOM 896 O LYS A 60 9.777 13.305 -13.782 1.00 11.24 O ATOM 897 CB LYS A 60 8.515 13.494 -16.512 1.00 25.21 C ATOM 898 CG LYS A 60 8.792 14.934 -16.908 1.00 15.14 C ATOM 899 CD LYS A 60 9.503 15.018 -18.248 1.00 21.44 C ATOM 900 CE LYS A 60 9.683 16.460 -18.694 1.00 41.41 C ATOM 901 NZ LYS A 60 8.511 16.951 -19.471 1.00 62.21 N ATOM 0 H LYS A 60 9.383 11.037 -14.918 1.00 32.03 H new ATOM 0 HA LYS A 60 10.502 12.779 -16.916 1.00 3.32 H new ATOM 0 HB2 LYS A 60 8.033 12.983 -17.345 1.00 25.21 H new ATOM 0 HB3 LYS A 60 7.810 13.484 -15.681 1.00 25.21 H new ATOM 0 HG2 LYS A 60 7.853 15.485 -16.958 1.00 15.14 H new ATOM 0 HG3 LYS A 60 9.402 15.412 -16.141 1.00 15.14 H new ATOM 0 HD2 LYS A 60 10.477 14.534 -18.175 1.00 21.44 H new ATOM 0 HD3 LYS A 60 8.932 14.472 -18.999 1.00 21.44 H new ATOM 0 HE2 LYS A 60 9.831 17.095 -17.820 1.00 41.41 H new ATOM 0 HE3 LYS A 60 10.583 16.542 -19.304 1.00 41.41 H new ATOM 0 HZ1 LYS A 60 8.673 17.938 -19.757 1.00 62.21 H new ATOM 0 HZ2 LYS A 60 8.385 16.361 -20.318 1.00 62.21 H new ATOM 0 HZ3 LYS A 60 7.656 16.897 -18.881 1.00 62.21 H new ATOM 915 N VAL A 61 11.582 13.885 -14.994 1.00 55.11 N ATOM 916 CA VAL A 61 12.272 14.508 -13.871 1.00 51.32 C ATOM 917 C VAL A 61 11.345 15.449 -13.110 1.00 33.13 C ATOM 918 O VAL A 61 10.370 15.958 -13.663 1.00 74.11 O ATOM 919 CB VAL A 61 13.510 15.295 -14.340 1.00 64.34 C ATOM 920 CG1 VAL A 61 14.390 14.427 -15.228 1.00 33.45 C ATOM 921 CG2 VAL A 61 13.091 16.563 -15.068 1.00 65.04 C ATOM 0 H VAL A 61 12.097 13.915 -15.874 1.00 55.11 H new ATOM 0 HA VAL A 61 12.591 13.703 -13.210 1.00 51.32 H new ATOM 0 HB VAL A 61 14.090 15.582 -13.463 1.00 64.34 H new ATOM 0 HG11 VAL A 61 15.260 15.000 -15.550 1.00 33.45 H new ATOM 0 HG12 VAL A 61 14.719 13.551 -14.669 1.00 33.45 H new ATOM 0 HG13 VAL A 61 13.822 14.108 -16.102 1.00 33.45 H new ATOM 0 HG21 VAL A 61 13.978 17.107 -15.392 1.00 65.04 H new ATOM 0 HG22 VAL A 61 12.488 16.301 -15.937 1.00 65.04 H new ATOM 0 HG23 VAL A 61 12.506 17.191 -14.397 1.00 65.04 H new ATOM 931 N ILE A 62 11.656 15.676 -11.838 1.00 34.30 N ATOM 932 CA ILE A 62 10.851 16.557 -11.001 1.00 31.32 C ATOM 933 C ILE A 62 11.682 17.719 -10.469 1.00 12.52 C ATOM 934 O ILE A 62 12.633 17.521 -9.712 1.00 63.04 O ATOM 935 CB ILE A 62 10.234 15.796 -9.813 1.00 31.54 C ATOM 936 CG1 ILE A 62 9.487 16.763 -8.891 1.00 64.45 C ATOM 937 CG2 ILE A 62 11.314 15.050 -9.043 1.00 73.41 C ATOM 938 CD1 ILE A 62 8.394 17.540 -9.590 1.00 72.11 C ATOM 0 H ILE A 62 12.459 15.262 -11.365 1.00 34.30 H new ATOM 0 HA ILE A 62 10.049 16.944 -11.630 1.00 31.32 H new ATOM 0 HB ILE A 62 9.521 15.068 -10.199 1.00 31.54 H new ATOM 0 HG12 ILE A 62 9.051 16.201 -8.065 1.00 64.45 H new ATOM 0 HG13 ILE A 62 10.201 17.464 -8.458 1.00 64.45 H new ATOM 0 HG21 ILE A 62 10.862 14.517 -8.206 1.00 73.41 H new ATOM 0 HG22 ILE A 62 11.806 14.337 -9.705 1.00 73.41 H new ATOM 0 HG23 ILE A 62 12.049 15.761 -8.666 1.00 73.41 H new ATOM 0 HD11 ILE A 62 7.907 18.205 -8.877 1.00 72.11 H new ATOM 0 HD12 ILE A 62 8.827 18.129 -10.399 1.00 72.11 H new ATOM 0 HD13 ILE A 62 7.659 16.847 -9.999 1.00 72.11 H new ATOM 950 N CYS A 63 11.315 18.932 -10.867 1.00 41.35 N ATOM 951 CA CYS A 63 12.026 20.128 -10.430 1.00 10.50 C ATOM 952 C CYS A 63 13.530 19.970 -10.627 1.00 20.40 C ATOM 953 O CYS A 63 14.321 20.313 -9.750 1.00 1.14 O ATOM 954 CB CYS A 63 11.720 20.420 -8.960 1.00 51.02 C ATOM 955 SG CYS A 63 11.836 22.169 -8.515 1.00 31.42 S ATOM 0 H CYS A 63 10.529 19.113 -11.492 1.00 41.35 H new ATOM 0 HA CYS A 63 11.685 20.966 -11.038 1.00 10.50 H new ATOM 0 HB2 CYS A 63 10.716 20.064 -8.731 1.00 51.02 H new ATOM 0 HB3 CYS A 63 12.410 19.851 -8.336 1.00 51.02 H new ATOM 0 HG CYS A 63 11.558 22.315 -7.253 1.00 31.42 H new ATOM 961 N GLY A 64 13.918 19.445 -11.785 1.00 71.44 N ATOM 962 CA GLY A 64 15.326 19.247 -12.076 1.00 40.40 C ATOM 963 C GLY A 64 15.919 18.084 -11.307 1.00 23.32 C ATOM 964 O GLY A 64 17.096 18.105 -10.946 1.00 61.44 O ATOM 0 H GLY A 64 13.282 19.153 -12.527 1.00 71.44 H new ATOM 0 HA2 GLY A 64 15.452 19.074 -13.145 1.00 40.40 H new ATOM 0 HA3 GLY A 64 15.875 20.157 -11.834 1.00 40.40 H new ATOM 968 N SER A 65 15.103 17.066 -11.053 1.00 54.21 N ATOM 969 CA SER A 65 15.552 15.891 -10.316 1.00 61.35 C ATOM 970 C SER A 65 15.255 14.614 -11.097 1.00 71.02 C ATOM 971 O SER A 65 14.146 14.082 -11.039 1.00 61.04 O ATOM 972 CB SER A 65 14.876 15.833 -8.945 1.00 60.43 C ATOM 973 OG SER A 65 15.405 14.778 -8.160 1.00 74.23 O ATOM 0 H SER A 65 14.127 17.031 -11.347 1.00 54.21 H new ATOM 0 HA SER A 65 16.630 15.969 -10.178 1.00 61.35 H new ATOM 0 HB2 SER A 65 15.016 16.782 -8.427 1.00 60.43 H new ATOM 0 HB3 SER A 65 13.802 15.694 -9.071 1.00 60.43 H new ATOM 0 HG SER A 65 16.353 14.655 -8.374 1.00 74.23 H new ATOM 979 N ARG A 66 16.254 14.128 -11.827 1.00 13.11 N ATOM 980 CA ARG A 66 16.100 12.915 -12.621 1.00 22.14 C ATOM 981 C ARG A 66 16.404 11.676 -11.784 1.00 23.32 C ATOM 982 O ARG A 66 17.185 10.815 -12.191 1.00 3.34 O ATOM 983 CB ARG A 66 17.022 12.958 -13.841 1.00 12.22 C ATOM 984 CG ARG A 66 18.498 13.037 -13.487 1.00 12.22 C ATOM 985 CD ARG A 66 19.218 14.077 -14.331 1.00 23.13 C ATOM 986 NE ARG A 66 20.576 14.325 -13.852 1.00 53.14 N ATOM 987 CZ ARG A 66 21.511 14.931 -14.576 1.00 34.11 C ATOM 988 NH1 ARG A 66 21.236 15.349 -15.804 1.00 21.31 N ATOM 989 NH2 ARG A 66 22.723 15.120 -14.071 1.00 11.51 N ATOM 0 H ARG A 66 17.178 14.556 -11.885 1.00 13.11 H new ATOM 0 HA ARG A 66 15.065 12.860 -12.958 1.00 22.14 H new ATOM 0 HB2 ARG A 66 16.850 12.069 -14.447 1.00 12.22 H new ATOM 0 HB3 ARG A 66 16.758 13.819 -14.455 1.00 12.22 H new ATOM 0 HG2 ARG A 66 18.607 13.285 -12.431 1.00 12.22 H new ATOM 0 HG3 ARG A 66 18.962 12.062 -13.635 1.00 12.22 H new ATOM 0 HD2 ARG A 66 19.255 13.741 -15.367 1.00 23.13 H new ATOM 0 HD3 ARG A 66 18.653 15.009 -14.318 1.00 23.13 H new ATOM 0 HE ARG A 66 20.819 14.016 -12.911 1.00 53.14 H new ATOM 0 HH11 ARG A 66 20.305 15.206 -16.195 1.00 21.31 H new ATOM 0 HH12 ARG A 66 21.956 15.814 -16.358 1.00 21.31 H new ATOM 0 HH21 ARG A 66 22.938 14.800 -13.127 1.00 11.51 H new ATOM 0 HH22 ARG A 66 23.440 15.585 -14.627 1.00 11.51 H new ATOM 1003 N VAL A 67 15.782 11.592 -10.612 1.00 63.21 N ATOM 1004 CA VAL A 67 15.986 10.458 -9.718 1.00 13.20 C ATOM 1005 C VAL A 67 15.488 9.163 -10.351 1.00 4.35 C ATOM 1006 O VAL A 67 14.763 9.185 -11.345 1.00 63.12 O ATOM 1007 CB VAL A 67 15.266 10.669 -8.372 1.00 64.43 C ATOM 1008 CG1 VAL A 67 15.866 11.850 -7.625 1.00 41.02 C ATOM 1009 CG2 VAL A 67 13.774 10.868 -8.592 1.00 23.34 C ATOM 0 H VAL A 67 15.133 12.295 -10.260 1.00 63.21 H new ATOM 0 HA VAL A 67 17.059 10.383 -9.540 1.00 13.20 H new ATOM 0 HB VAL A 67 15.404 9.776 -7.762 1.00 64.43 H new ATOM 0 HG11 VAL A 67 15.345 11.984 -6.677 1.00 41.02 H new ATOM 0 HG12 VAL A 67 16.923 11.661 -7.435 1.00 41.02 H new ATOM 0 HG13 VAL A 67 15.761 12.753 -8.227 1.00 41.02 H new ATOM 0 HG21 VAL A 67 13.281 11.016 -7.631 1.00 23.34 H new ATOM 0 HG22 VAL A 67 13.613 11.743 -9.221 1.00 23.34 H new ATOM 0 HG23 VAL A 67 13.358 9.988 -9.082 1.00 23.34 H new ATOM 1019 N ARG A 68 15.883 8.036 -9.767 1.00 14.45 N ATOM 1020 CA ARG A 68 15.477 6.731 -10.273 1.00 64.14 C ATOM 1021 C ARG A 68 14.579 6.013 -9.270 1.00 40.14 C ATOM 1022 O ARG A 68 15.051 5.495 -8.258 1.00 52.11 O ATOM 1023 CB ARG A 68 16.708 5.874 -10.577 1.00 74.20 C ATOM 1024 CG ARG A 68 16.761 5.371 -12.010 1.00 72.23 C ATOM 1025 CD ARG A 68 17.320 3.959 -12.085 1.00 31.43 C ATOM 1026 NE ARG A 68 16.373 3.026 -12.690 1.00 33.04 N ATOM 1027 CZ ARG A 68 16.556 1.711 -12.723 1.00 33.33 C ATOM 1028 NH1 ARG A 68 17.645 1.176 -12.188 1.00 34.11 N ATOM 1029 NH2 ARG A 68 15.648 0.927 -13.291 1.00 51.42 N ATOM 0 H ARG A 68 16.484 8.001 -8.943 1.00 14.45 H new ATOM 0 HA ARG A 68 14.913 6.885 -11.193 1.00 64.14 H new ATOM 0 HB2 ARG A 68 17.606 6.457 -10.372 1.00 74.20 H new ATOM 0 HB3 ARG A 68 16.722 5.020 -9.900 1.00 74.20 H new ATOM 0 HG2 ARG A 68 15.760 5.390 -12.441 1.00 72.23 H new ATOM 0 HG3 ARG A 68 17.379 6.040 -12.609 1.00 72.23 H new ATOM 0 HD2 ARG A 68 18.243 3.965 -12.665 1.00 31.43 H new ATOM 0 HD3 ARG A 68 17.575 3.617 -11.082 1.00 31.43 H new ATOM 0 HE ARG A 68 15.524 3.405 -13.110 1.00 33.04 H new ATOM 0 HH11 ARG A 68 18.345 1.775 -11.750 1.00 34.11 H new ATOM 0 HH12 ARG A 68 17.783 0.166 -12.215 1.00 34.11 H new ATOM 0 HH21 ARG A 68 14.808 1.334 -13.703 1.00 51.42 H new ATOM 0 HH22 ARG A 68 15.790 -0.083 -13.316 1.00 51.42 H new ATOM 1043 N VAL A 69 13.282 5.987 -9.559 1.00 14.15 N ATOM 1044 CA VAL A 69 12.317 5.333 -8.683 1.00 31.23 C ATOM 1045 C VAL A 69 11.784 4.051 -9.313 1.00 31.14 C ATOM 1046 O VAL A 69 11.584 3.981 -10.525 1.00 33.43 O ATOM 1047 CB VAL A 69 11.133 6.263 -8.357 1.00 60.15 C ATOM 1048 CG1 VAL A 69 10.520 6.814 -9.636 1.00 32.32 C ATOM 1049 CG2 VAL A 69 10.090 5.527 -7.530 1.00 11.31 C ATOM 0 H VAL A 69 12.875 6.411 -10.393 1.00 14.15 H new ATOM 0 HA VAL A 69 12.842 5.090 -7.759 1.00 31.23 H new ATOM 0 HB VAL A 69 11.503 7.103 -7.769 1.00 60.15 H new ATOM 0 HG11 VAL A 69 9.685 7.469 -9.387 1.00 32.32 H new ATOM 0 HG12 VAL A 69 11.273 7.379 -10.186 1.00 32.32 H new ATOM 0 HG13 VAL A 69 10.163 5.989 -10.253 1.00 32.32 H new ATOM 0 HG21 VAL A 69 9.261 6.199 -7.309 1.00 11.31 H new ATOM 0 HG22 VAL A 69 9.721 4.668 -8.090 1.00 11.31 H new ATOM 0 HG23 VAL A 69 10.539 5.186 -6.597 1.00 11.31 H new ATOM 1059 N GLU A 70 11.556 3.040 -8.481 1.00 33.54 N ATOM 1060 CA GLU A 70 11.046 1.759 -8.957 1.00 53.33 C ATOM 1061 C GLU A 70 10.095 1.139 -7.938 1.00 33.12 C ATOM 1062 O GLU A 70 10.040 1.565 -6.783 1.00 61.42 O ATOM 1063 CB GLU A 70 12.202 0.799 -9.243 1.00 21.12 C ATOM 1064 CG GLU A 70 12.085 0.086 -10.580 1.00 24.05 C ATOM 1065 CD GLU A 70 13.110 -1.020 -10.742 1.00 73.22 C ATOM 1066 OE1 GLU A 70 12.984 -2.052 -10.051 1.00 72.50 O ATOM 1067 OE2 GLU A 70 14.037 -0.853 -11.561 1.00 64.15 O ATOM 0 H GLU A 70 11.716 3.083 -7.475 1.00 33.54 H new ATOM 0 HA GLU A 70 10.495 1.937 -9.880 1.00 53.33 H new ATOM 0 HB2 GLU A 70 13.139 1.355 -9.218 1.00 21.12 H new ATOM 0 HB3 GLU A 70 12.251 0.056 -8.447 1.00 21.12 H new ATOM 0 HG2 GLU A 70 11.084 -0.334 -10.677 1.00 24.05 H new ATOM 0 HG3 GLU A 70 12.207 0.810 -11.386 1.00 24.05 H new ATOM 1074 N LEU A 71 9.346 0.131 -8.373 1.00 4.13 N ATOM 1075 CA LEU A 71 8.396 -0.549 -7.499 1.00 42.12 C ATOM 1076 C LEU A 71 8.889 -1.948 -7.142 1.00 42.53 C ATOM 1077 O LEU A 71 9.052 -2.800 -8.015 1.00 23.53 O ATOM 1078 CB LEU A 71 7.026 -0.635 -8.173 1.00 34.31 C ATOM 1079 CG LEU A 71 5.963 0.337 -7.660 1.00 41.41 C ATOM 1080 CD1 LEU A 71 5.425 1.189 -8.799 1.00 51.12 C ATOM 1081 CD2 LEU A 71 4.833 -0.419 -6.977 1.00 10.31 C ATOM 0 H LEU A 71 9.378 -0.233 -9.325 1.00 4.13 H new ATOM 0 HA LEU A 71 8.307 0.030 -6.580 1.00 42.12 H new ATOM 0 HB2 LEU A 71 7.158 -0.467 -9.242 1.00 34.31 H new ATOM 0 HB3 LEU A 71 6.648 -1.651 -8.055 1.00 34.31 H new ATOM 0 HG LEU A 71 6.426 0.997 -6.927 1.00 41.41 H new ATOM 0 HD11 LEU A 71 4.670 1.875 -8.415 1.00 51.12 H new ATOM 0 HD12 LEU A 71 6.241 1.759 -9.243 1.00 51.12 H new ATOM 0 HD13 LEU A 71 4.979 0.544 -9.556 1.00 51.12 H new ATOM 0 HD21 LEU A 71 4.086 0.289 -6.618 1.00 10.31 H new ATOM 0 HD22 LEU A 71 4.372 -1.104 -7.688 1.00 10.31 H new ATOM 0 HD23 LEU A 71 5.231 -0.984 -6.134 1.00 10.31 H new ATOM 1093 N SER A 72 9.123 -2.176 -5.854 1.00 31.21 N ATOM 1094 CA SER A 72 9.599 -3.471 -5.381 1.00 73.14 C ATOM 1095 C SER A 72 8.487 -4.514 -5.444 1.00 30.12 C ATOM 1096 O SER A 72 8.748 -5.713 -5.553 1.00 4.44 O ATOM 1097 CB SER A 72 10.124 -3.354 -3.949 1.00 54.42 C ATOM 1098 OG SER A 72 9.794 -4.503 -3.189 1.00 71.54 O ATOM 0 H SER A 72 8.991 -1.481 -5.119 1.00 31.21 H new ATOM 0 HA SER A 72 10.412 -3.792 -6.033 1.00 73.14 H new ATOM 0 HB2 SER A 72 11.206 -3.223 -3.965 1.00 54.42 H new ATOM 0 HB3 SER A 72 9.702 -2.467 -3.475 1.00 54.42 H new ATOM 0 HG SER A 72 10.142 -4.404 -2.278 1.00 71.54 H new