USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 465 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 60 LEU C :(NH2R) USER MOD NoAdj-H: A 1 LEU H3 : A 1 LEU N : A 60 LEU C :(NH2R) USER MOD Single : A 1 LEU N :NH3+ 125:sc= -0.0536 (180deg=-0.72) USER MOD Single : A 4 TYR OH : rot 165:sc= -0.145 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -158:sc= -0.0445 (180deg=-0.332) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.255 X(o=-0.26,f=-0.0095) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0576 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -120:sc= -4.06! USER MOD Single : A 39 SER OG : rot 180:sc= -0.101 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.2) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0173 X(o=-0.017,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.478 0.042 0.194 1.00 31.43 N ATOM 2 CA LEU A 1 2.326 0.105 -0.991 1.00 54.12 C ATOM 3 C LEU A 1 2.328 -1.229 -1.731 1.00 25.04 C ATOM 4 O LEU A 1 2.048 -1.288 -2.928 1.00 3.10 O ATOM 5 CB LEU A 1 3.754 0.488 -0.601 1.00 23.11 C ATOM 6 CG LEU A 1 4.113 1.968 -0.736 1.00 3.00 C ATOM 7 CD1 LEU A 1 3.092 2.833 -0.013 1.00 44.02 C ATOM 8 CD2 LEU A 1 5.513 2.229 -0.198 1.00 35.23 C ATOM 0 H1 LEU A 1 2.029 0.321 1.031 1.00 31.43 H new ATOM 0 HA LEU A 1 1.922 0.868 -1.657 1.00 54.12 H new ATOM 0 HB2 LEU A 1 3.920 0.188 0.434 1.00 23.11 H new ATOM 0 HB3 LEU A 1 4.444 -0.090 -1.215 1.00 23.11 H new ATOM 0 HG LEU A 1 4.097 2.231 -1.794 1.00 3.00 H new ATOM 0 HD11 LEU A 1 3.364 3.883 -0.120 1.00 44.02 H new ATOM 0 HD12 LEU A 1 2.105 2.668 -0.444 1.00 44.02 H new ATOM 0 HD13 LEU A 1 3.075 2.569 1.044 1.00 44.02 H new ATOM 0 HD21 LEU A 1 5.751 3.287 -0.302 1.00 35.23 H new ATOM 0 HD22 LEU A 1 5.556 1.949 0.855 1.00 35.23 H new ATOM 0 HD23 LEU A 1 6.235 1.637 -0.761 1.00 35.23 H new ATOM 20 N VAL A 2 2.645 -2.299 -1.009 1.00 21.34 N ATOM 21 CA VAL A 2 2.681 -3.634 -1.595 1.00 1.30 C ATOM 22 C VAL A 2 1.310 -4.039 -2.123 1.00 35.21 C ATOM 23 O VAL A 2 1.176 -4.470 -3.268 1.00 24.22 O ATOM 24 CB VAL A 2 3.156 -4.683 -0.573 1.00 24.32 C ATOM 25 CG1 VAL A 2 3.169 -6.070 -1.198 1.00 30.13 C ATOM 26 CG2 VAL A 2 4.532 -4.319 -0.036 1.00 44.23 C ATOM 0 H VAL A 2 2.881 -2.268 -0.017 1.00 21.34 H new ATOM 0 HA VAL A 2 3.390 -3.598 -2.422 1.00 1.30 H new ATOM 0 HB VAL A 2 2.456 -4.693 0.262 1.00 24.32 H new ATOM 0 HG11 VAL A 2 3.507 -6.798 -0.461 1.00 30.13 H new ATOM 0 HG12 VAL A 2 2.163 -6.329 -1.529 1.00 30.13 H new ATOM 0 HG13 VAL A 2 3.846 -6.078 -2.053 1.00 30.13 H new ATOM 0 HG21 VAL A 2 4.852 -5.071 0.685 1.00 44.23 H new ATOM 0 HG22 VAL A 2 5.245 -4.279 -0.859 1.00 44.23 H new ATOM 0 HG23 VAL A 2 4.486 -3.345 0.452 1.00 44.23 H new ATOM 36 N ALA A 3 0.292 -3.897 -1.280 1.00 73.51 N ATOM 37 CA ALA A 3 -1.071 -4.247 -1.662 1.00 41.55 C ATOM 38 C ALA A 3 -1.572 -3.350 -2.789 1.00 43.54 C ATOM 39 O ALA A 3 -2.401 -3.761 -3.601 1.00 40.23 O ATOM 40 CB ALA A 3 -1.997 -4.152 -0.459 1.00 72.41 C ATOM 0 H ALA A 3 0.385 -3.542 -0.328 1.00 73.51 H new ATOM 0 HA ALA A 3 -1.068 -5.275 -2.024 1.00 41.55 H new ATOM 0 HB1 ALA A 3 -3.011 -4.416 -0.759 1.00 72.41 H new ATOM 0 HB2 ALA A 3 -1.658 -4.839 0.317 1.00 72.41 H new ATOM 0 HB3 ALA A 3 -1.987 -3.133 -0.072 1.00 72.41 H new ATOM 46 N TYR A 4 -1.064 -2.123 -2.833 1.00 1.12 N ATOM 47 CA TYR A 4 -1.462 -1.167 -3.859 1.00 14.43 C ATOM 48 C TYR A 4 -0.840 -1.522 -5.206 1.00 0.53 C ATOM 49 O TYR A 4 -1.532 -1.608 -6.219 1.00 33.11 O ATOM 50 CB TYR A 4 -1.052 0.250 -3.452 1.00 72.23 C ATOM 51 CG TYR A 4 -1.362 1.294 -4.500 1.00 54.45 C ATOM 52 CD1 TYR A 4 -0.439 1.612 -5.488 1.00 65.23 C ATOM 53 CD2 TYR A 4 -2.580 1.963 -4.503 1.00 53.44 C ATOM 54 CE1 TYR A 4 -0.718 2.566 -6.447 1.00 44.13 C ATOM 55 CE2 TYR A 4 -2.869 2.918 -5.459 1.00 43.14 C ATOM 56 CZ TYR A 4 -1.934 3.216 -6.429 1.00 1.21 C ATOM 57 OH TYR A 4 -2.216 4.166 -7.383 1.00 53.44 O ATOM 0 H TYR A 4 -0.376 -1.767 -2.170 1.00 1.12 H new ATOM 0 HA TYR A 4 -2.547 -1.210 -3.958 1.00 14.43 H new ATOM 0 HB2 TYR A 4 -1.562 0.515 -2.526 1.00 72.23 H new ATOM 0 HB3 TYR A 4 0.018 0.264 -3.243 1.00 72.23 H new ATOM 0 HD1 TYR A 4 0.514 1.104 -5.507 1.00 65.23 H new ATOM 0 HD2 TYR A 4 -3.314 1.732 -3.745 1.00 53.44 H new ATOM 0 HE1 TYR A 4 0.012 2.802 -7.207 1.00 44.13 H new ATOM 0 HE2 TYR A 4 -3.821 3.428 -5.447 1.00 43.14 H new ATOM 0 HH TYR A 4 -3.178 4.353 -7.384 1.00 53.44 H new ATOM 67 N GLY A 5 0.474 -1.727 -5.208 1.00 12.14 N ATOM 68 CA GLY A 5 1.169 -2.071 -6.434 1.00 41.31 C ATOM 69 C GLY A 5 2.670 -1.890 -6.320 1.00 73.01 C ATOM 70 O GLY A 5 3.436 -2.559 -7.014 1.00 44.50 O ATOM 0 H GLY A 5 1.069 -1.661 -4.382 1.00 12.14 H new ATOM 0 HA2 GLY A 5 0.950 -3.107 -6.694 1.00 41.31 H new ATOM 0 HA3 GLY A 5 0.792 -1.451 -7.248 1.00 41.31 H new ATOM 74 N ILE A 6 3.090 -0.984 -5.444 1.00 40.53 N ATOM 75 CA ILE A 6 4.509 -0.717 -5.243 1.00 12.11 C ATOM 76 C ILE A 6 5.257 -1.987 -4.854 1.00 21.42 C ATOM 77 O ILE A 6 4.824 -2.730 -3.974 1.00 32.15 O ATOM 78 CB ILE A 6 4.732 0.350 -4.155 1.00 43.53 C ATOM 79 CG1 ILE A 6 4.021 1.652 -4.533 1.00 63.52 C ATOM 80 CG2 ILE A 6 6.220 0.594 -3.950 1.00 31.22 C ATOM 81 CD1 ILE A 6 4.466 2.219 -5.863 1.00 3.12 C ATOM 0 H ILE A 6 2.468 -0.422 -4.862 1.00 40.53 H new ATOM 0 HA ILE A 6 4.898 -0.345 -6.191 1.00 12.11 H new ATOM 0 HB ILE A 6 4.310 -0.014 -3.218 1.00 43.53 H new ATOM 0 HG12 ILE A 6 2.946 1.474 -4.565 1.00 63.52 H new ATOM 0 HG13 ILE A 6 4.198 2.393 -3.754 1.00 63.52 H new ATOM 0 HG21 ILE A 6 6.362 1.350 -3.178 1.00 31.22 H new ATOM 0 HG22 ILE A 6 6.702 -0.334 -3.642 1.00 31.22 H new ATOM 0 HG23 ILE A 6 6.664 0.940 -4.883 1.00 31.22 H new ATOM 0 HD11 ILE A 6 3.921 3.141 -6.066 1.00 3.12 H new ATOM 0 HD12 ILE A 6 5.535 2.429 -5.829 1.00 3.12 H new ATOM 0 HD13 ILE A 6 4.263 1.496 -6.653 1.00 3.12 H new ATOM 93 N ALA A 7 6.384 -2.230 -5.515 1.00 41.31 N ATOM 94 CA ALA A 7 7.195 -3.408 -5.236 1.00 23.11 C ATOM 95 C ALA A 7 7.497 -3.526 -3.746 1.00 21.52 C ATOM 96 O ALA A 7 7.657 -2.521 -3.055 1.00 0.04 O ATOM 97 CB ALA A 7 8.489 -3.360 -6.036 1.00 75.31 C ATOM 0 H ALA A 7 6.756 -1.626 -6.248 1.00 41.31 H new ATOM 0 HA ALA A 7 6.627 -4.289 -5.536 1.00 23.11 H new ATOM 0 HB1 ALA A 7 9.085 -4.246 -5.818 1.00 75.31 H new ATOM 0 HB2 ALA A 7 8.258 -3.332 -7.101 1.00 75.31 H new ATOM 0 HB3 ALA A 7 9.052 -2.468 -5.763 1.00 75.31 H new ATOM 103 N GLN A 8 7.573 -4.761 -3.258 1.00 55.43 N ATOM 104 CA GLN A 8 7.854 -5.009 -1.849 1.00 53.12 C ATOM 105 C GLN A 8 9.280 -4.600 -1.499 1.00 5.35 C ATOM 106 O GLN A 8 9.501 -3.780 -0.608 1.00 32.33 O ATOM 107 CB GLN A 8 7.638 -6.486 -1.517 1.00 31.30 C ATOM 108 CG GLN A 8 6.239 -6.985 -1.840 1.00 54.53 C ATOM 109 CD GLN A 8 6.224 -8.432 -2.292 1.00 1.34 C ATOM 110 OE1 GLN A 8 5.947 -9.337 -1.504 1.00 51.11 O ATOM 111 NE2 GLN A 8 6.523 -8.658 -3.565 1.00 42.14 N ATOM 0 H GLN A 8 7.444 -5.604 -3.817 1.00 55.43 H new ATOM 0 HA GLN A 8 7.167 -4.406 -1.255 1.00 53.12 H new ATOM 0 HB2 GLN A 8 8.364 -7.083 -2.068 1.00 31.30 H new ATOM 0 HB3 GLN A 8 7.835 -6.644 -0.457 1.00 31.30 H new ATOM 0 HG2 GLN A 8 5.607 -6.877 -0.959 1.00 54.53 H new ATOM 0 HG3 GLN A 8 5.806 -6.360 -2.621 1.00 54.53 H new ATOM 0 HE21 GLN A 8 6.746 -7.878 -4.183 1.00 42.14 H new ATOM 0 HE22 GLN A 8 6.529 -9.612 -3.926 1.00 42.14 H new ATOM 120 N GLY A 9 10.247 -5.177 -2.206 1.00 4.04 N ATOM 121 CA GLY A 9 11.641 -4.860 -1.954 1.00 30.14 C ATOM 122 C GLY A 9 11.921 -3.373 -2.035 1.00 1.43 C ATOM 123 O GLY A 9 12.663 -2.827 -1.217 1.00 41.33 O ATOM 0 H GLY A 9 10.090 -5.858 -2.949 1.00 4.04 H new ATOM 0 HA2 GLY A 9 11.921 -5.226 -0.966 1.00 30.14 H new ATOM 0 HA3 GLY A 9 12.266 -5.384 -2.677 1.00 30.14 H new ATOM 127 N THR A 10 11.327 -2.713 -3.025 1.00 24.12 N ATOM 128 CA THR A 10 11.519 -1.281 -3.212 1.00 0.41 C ATOM 129 C THR A 10 10.729 -0.481 -2.182 1.00 24.12 C ATOM 130 O THR A 10 11.157 0.590 -1.753 1.00 53.55 O ATOM 131 CB THR A 10 11.095 -0.837 -4.625 1.00 13.35 C ATOM 132 OG1 THR A 10 11.681 -1.699 -5.606 1.00 5.12 O ATOM 133 CG2 THR A 10 11.515 0.601 -4.889 1.00 40.11 C ATOM 0 H THR A 10 10.709 -3.148 -3.710 1.00 24.12 H new ATOM 0 HA THR A 10 12.583 -1.085 -3.082 1.00 0.41 H new ATOM 0 HB THR A 10 10.009 -0.899 -4.691 1.00 13.35 H new ATOM 0 HG1 THR A 10 11.405 -1.411 -6.501 1.00 5.12 H new ATOM 0 HG21 THR A 10 11.205 0.892 -5.893 1.00 40.11 H new ATOM 0 HG22 THR A 10 11.043 1.258 -4.158 1.00 40.11 H new ATOM 0 HG23 THR A 10 12.599 0.685 -4.805 1.00 40.11 H new ATOM 141 N ALA A 11 9.576 -1.010 -1.787 1.00 55.54 N ATOM 142 CA ALA A 11 8.728 -0.346 -0.805 1.00 14.11 C ATOM 143 C ALA A 11 9.517 0.012 0.449 1.00 4.24 C ATOM 144 O ALA A 11 9.500 1.158 0.898 1.00 33.34 O ATOM 145 CB ALA A 11 7.541 -1.229 -0.449 1.00 71.34 C ATOM 0 H ALA A 11 9.208 -1.896 -2.132 1.00 55.54 H new ATOM 0 HA ALA A 11 8.359 0.579 -1.247 1.00 14.11 H new ATOM 0 HB1 ALA A 11 6.916 -0.720 0.285 1.00 71.34 H new ATOM 0 HB2 ALA A 11 6.955 -1.431 -1.346 1.00 71.34 H new ATOM 0 HB3 ALA A 11 7.900 -2.170 -0.031 1.00 71.34 H new ATOM 151 N GLU A 12 10.209 -0.975 1.010 1.00 35.31 N ATOM 152 CA GLU A 12 11.003 -0.763 2.214 1.00 3.11 C ATOM 153 C GLU A 12 11.960 0.412 2.034 1.00 43.00 C ATOM 154 O GLU A 12 12.033 1.304 2.880 1.00 61.04 O ATOM 155 CB GLU A 12 11.791 -2.028 2.562 1.00 51.22 C ATOM 156 CG GLU A 12 12.200 -2.108 4.023 1.00 12.30 C ATOM 157 CD GLU A 12 13.073 -3.312 4.320 1.00 53.35 C ATOM 158 OE1 GLU A 12 14.198 -3.374 3.782 1.00 63.41 O ATOM 159 OE2 GLU A 12 12.631 -4.191 5.088 1.00 12.23 O ATOM 0 H GLU A 12 10.236 -1.929 0.650 1.00 35.31 H new ATOM 0 HA GLU A 12 10.321 -0.532 3.032 1.00 3.11 H new ATOM 0 HB2 GLU A 12 11.188 -2.901 2.314 1.00 51.22 H new ATOM 0 HB3 GLU A 12 12.685 -2.071 1.940 1.00 51.22 H new ATOM 0 HG2 GLU A 12 12.736 -1.199 4.297 1.00 12.30 H new ATOM 0 HG3 GLU A 12 11.306 -2.150 4.645 1.00 12.30 H new ATOM 166 N LYS A 13 12.694 0.405 0.926 1.00 12.41 N ATOM 167 CA LYS A 13 13.646 1.469 0.632 1.00 5.43 C ATOM 168 C LYS A 13 12.936 2.811 0.486 1.00 12.14 C ATOM 169 O LYS A 13 13.375 3.821 1.037 1.00 31.34 O ATOM 170 CB LYS A 13 14.422 1.149 -0.648 1.00 34.13 C ATOM 171 CG LYS A 13 15.731 1.908 -0.772 1.00 42.20 C ATOM 172 CD LYS A 13 16.419 1.620 -2.096 1.00 1.41 C ATOM 173 CE LYS A 13 17.247 0.346 -2.029 1.00 12.25 C ATOM 174 NZ LYS A 13 18.428 0.498 -1.134 1.00 54.40 N ATOM 0 H LYS A 13 12.647 -0.327 0.217 1.00 12.41 H new ATOM 0 HA LYS A 13 14.345 1.537 1.466 1.00 5.43 H new ATOM 0 HB2 LYS A 13 14.628 0.079 -0.680 1.00 34.13 H new ATOM 0 HB3 LYS A 13 13.795 1.379 -1.510 1.00 34.13 H new ATOM 0 HG2 LYS A 13 15.542 2.978 -0.684 1.00 42.20 H new ATOM 0 HG3 LYS A 13 16.392 1.633 0.050 1.00 42.20 H new ATOM 0 HD2 LYS A 13 15.671 1.528 -2.883 1.00 1.41 H new ATOM 0 HD3 LYS A 13 17.061 2.459 -2.363 1.00 1.41 H new ATOM 0 HE2 LYS A 13 16.624 -0.474 -1.672 1.00 12.25 H new ATOM 0 HE3 LYS A 13 17.583 0.078 -3.031 1.00 12.25 H new ATOM 0 HZ1 LYS A 13 19.148 -0.209 -1.386 1.00 54.40 H new ATOM 0 HZ2 LYS A 13 18.826 1.452 -1.244 1.00 54.40 H new ATOM 0 HZ3 LYS A 13 18.135 0.356 -0.146 1.00 54.40 H new ATOM 188 N VAL A 14 11.835 2.815 -0.258 1.00 74.41 N ATOM 189 CA VAL A 14 11.062 4.032 -0.474 1.00 75.20 C ATOM 190 C VAL A 14 10.617 4.643 0.850 1.00 24.12 C ATOM 191 O VAL A 14 10.560 5.864 0.995 1.00 45.12 O ATOM 192 CB VAL A 14 9.820 3.761 -1.344 1.00 53.11 C ATOM 193 CG1 VAL A 14 9.011 5.036 -1.532 1.00 61.31 C ATOM 194 CG2 VAL A 14 10.228 3.176 -2.688 1.00 3.14 C ATOM 0 H VAL A 14 11.458 1.988 -0.722 1.00 74.41 H new ATOM 0 HA VAL A 14 11.715 4.733 -0.993 1.00 75.20 H new ATOM 0 HB VAL A 14 9.192 3.032 -0.832 1.00 53.11 H new ATOM 0 HG11 VAL A 14 8.138 4.825 -2.149 1.00 61.31 H new ATOM 0 HG12 VAL A 14 8.687 5.408 -0.560 1.00 61.31 H new ATOM 0 HG13 VAL A 14 9.628 5.789 -2.022 1.00 61.31 H new ATOM 0 HG21 VAL A 14 9.338 2.991 -3.289 1.00 3.14 H new ATOM 0 HG22 VAL A 14 10.878 3.879 -3.209 1.00 3.14 H new ATOM 0 HG23 VAL A 14 10.761 2.238 -2.530 1.00 3.14 H new ATOM 204 N VAL A 15 10.303 3.785 1.816 1.00 65.02 N ATOM 205 CA VAL A 15 9.866 4.240 3.130 1.00 34.10 C ATOM 206 C VAL A 15 10.891 5.178 3.756 1.00 12.35 C ATOM 207 O VAL A 15 10.539 6.227 4.296 1.00 42.41 O ATOM 208 CB VAL A 15 9.622 3.054 4.082 1.00 23.12 C ATOM 209 CG1 VAL A 15 9.189 3.550 5.453 1.00 23.24 C ATOM 210 CG2 VAL A 15 8.586 2.106 3.498 1.00 64.45 C ATOM 0 H VAL A 15 10.343 2.771 1.713 1.00 65.02 H new ATOM 0 HA VAL A 15 8.929 4.777 2.983 1.00 34.10 H new ATOM 0 HB VAL A 15 10.557 2.506 4.199 1.00 23.12 H new ATOM 0 HG11 VAL A 15 9.021 2.698 6.112 1.00 23.24 H new ATOM 0 HG12 VAL A 15 9.969 4.186 5.873 1.00 23.24 H new ATOM 0 HG13 VAL A 15 8.266 4.122 5.358 1.00 23.24 H new ATOM 0 HG21 VAL A 15 8.426 1.274 4.184 1.00 64.45 H new ATOM 0 HG22 VAL A 15 7.647 2.640 3.350 1.00 64.45 H new ATOM 0 HG23 VAL A 15 8.941 1.724 2.541 1.00 64.45 H new ATOM 220 N SER A 16 12.161 4.794 3.681 1.00 71.22 N ATOM 221 CA SER A 16 13.238 5.599 4.243 1.00 3.44 C ATOM 222 C SER A 16 13.236 7.003 3.646 1.00 14.44 C ATOM 223 O SER A 16 13.538 7.982 4.330 1.00 2.22 O ATOM 224 CB SER A 16 14.590 4.929 3.992 1.00 61.51 C ATOM 225 OG SER A 16 15.631 5.607 4.674 1.00 72.40 O ATOM 0 H SER A 16 12.469 3.929 3.236 1.00 71.22 H new ATOM 0 HA SER A 16 13.074 5.679 5.318 1.00 3.44 H new ATOM 0 HB2 SER A 16 14.551 3.891 4.322 1.00 61.51 H new ATOM 0 HB3 SER A 16 14.800 4.916 2.922 1.00 61.51 H new ATOM 0 HG SER A 16 16.484 5.158 4.498 1.00 72.40 H new ATOM 231 N LEU A 17 12.892 7.094 2.366 1.00 10.24 N ATOM 232 CA LEU A 17 12.849 8.378 1.675 1.00 42.10 C ATOM 233 C LEU A 17 11.766 9.277 2.263 1.00 41.15 C ATOM 234 O LEU A 17 11.929 10.496 2.334 1.00 74.32 O ATOM 235 CB LEU A 17 12.598 8.167 0.181 1.00 74.10 C ATOM 236 CG LEU A 17 13.811 8.335 -0.734 1.00 52.44 C ATOM 237 CD1 LEU A 17 14.971 7.482 -0.245 1.00 40.44 C ATOM 238 CD2 LEU A 17 13.451 7.977 -2.169 1.00 15.32 C ATOM 0 H LEU A 17 12.639 6.294 1.786 1.00 10.24 H new ATOM 0 HA LEU A 17 13.814 8.868 1.809 1.00 42.10 H new ATOM 0 HB2 LEU A 17 12.197 7.163 0.039 1.00 74.10 H new ATOM 0 HB3 LEU A 17 11.826 8.867 -0.140 1.00 74.10 H new ATOM 0 HG LEU A 17 14.119 9.380 -0.708 1.00 52.44 H new ATOM 0 HD11 LEU A 17 15.825 7.615 -0.909 1.00 40.44 H new ATOM 0 HD12 LEU A 17 15.246 7.786 0.765 1.00 40.44 H new ATOM 0 HD13 LEU A 17 14.675 6.433 -0.240 1.00 40.44 H new ATOM 0 HD21 LEU A 17 14.327 8.103 -2.806 1.00 15.32 H new ATOM 0 HD22 LEU A 17 13.116 6.941 -2.212 1.00 15.32 H new ATOM 0 HD23 LEU A 17 12.652 8.631 -2.518 1.00 15.32 H new ATOM 250 N ILE A 18 10.663 8.668 2.684 1.00 71.04 N ATOM 251 CA ILE A 18 9.555 9.413 3.268 1.00 0.31 C ATOM 252 C ILE A 18 9.960 10.052 4.592 1.00 30.24 C ATOM 253 O ILE A 18 9.746 11.244 4.809 1.00 21.33 O ATOM 254 CB ILE A 18 8.329 8.510 3.500 1.00 3.22 C ATOM 255 CG1 ILE A 18 8.035 7.681 2.248 1.00 0.04 C ATOM 256 CG2 ILE A 18 7.119 9.348 3.884 1.00 52.34 C ATOM 257 CD1 ILE A 18 6.810 6.803 2.379 1.00 3.02 C ATOM 0 H ILE A 18 10.513 7.660 2.632 1.00 71.04 H new ATOM 0 HA ILE A 18 9.290 10.195 2.556 1.00 0.31 H new ATOM 0 HB ILE A 18 8.549 7.828 4.321 1.00 3.22 H new ATOM 0 HG12 ILE A 18 7.902 8.353 1.400 1.00 0.04 H new ATOM 0 HG13 ILE A 18 8.899 7.055 2.026 1.00 0.04 H new ATOM 0 HG21 ILE A 18 6.261 8.696 4.045 1.00 52.34 H new ATOM 0 HG22 ILE A 18 7.333 9.898 4.800 1.00 52.34 H new ATOM 0 HG23 ILE A 18 6.895 10.052 3.083 1.00 52.34 H new ATOM 0 HD11 ILE A 18 6.662 6.244 1.455 1.00 3.02 H new ATOM 0 HD12 ILE A 18 6.948 6.106 3.206 1.00 3.02 H new ATOM 0 HD13 ILE A 18 5.936 7.425 2.571 1.00 3.02 H new ATOM 269 N ASN A 19 10.548 9.250 5.474 1.00 31.04 N ATOM 270 CA ASN A 19 10.985 9.737 6.778 1.00 54.02 C ATOM 271 C ASN A 19 12.010 10.856 6.625 1.00 42.14 C ATOM 272 O ASN A 19 12.246 11.627 7.554 1.00 1.13 O ATOM 273 CB ASN A 19 11.581 8.592 7.600 1.00 50.54 C ATOM 274 CG ASN A 19 11.409 8.801 9.092 1.00 44.53 C ATOM 275 OD1 ASN A 19 12.383 8.810 9.845 1.00 64.53 O ATOM 276 ND2 ASN A 19 10.166 8.972 9.526 1.00 21.31 N ATOM 0 H ASN A 19 10.733 8.260 5.310 1.00 31.04 H new ATOM 0 HA ASN A 19 10.115 10.135 7.300 1.00 54.02 H new ATOM 0 HB2 ASN A 19 11.106 7.655 7.310 1.00 50.54 H new ATOM 0 HB3 ASN A 19 12.642 8.497 7.369 1.00 50.54 H new ATOM 0 HD21 ASN A 19 9.988 9.118 10.520 1.00 21.31 H new ATOM 0 HD22 ASN A 19 9.389 8.957 8.866 1.00 21.31 H new ATOM 283 N ALA A 20 12.616 10.938 5.445 1.00 42.53 N ATOM 284 CA ALA A 20 13.614 11.964 5.168 1.00 2.34 C ATOM 285 C ALA A 20 12.997 13.358 5.218 1.00 23.12 C ATOM 286 O ALA A 20 13.702 14.354 5.378 1.00 74.13 O ATOM 287 CB ALA A 20 14.261 11.720 3.813 1.00 25.44 C ATOM 0 H ALA A 20 12.433 10.306 4.665 1.00 42.53 H new ATOM 0 HA ALA A 20 14.381 11.906 5.940 1.00 2.34 H new ATOM 0 HB1 ALA A 20 15.004 12.494 3.620 1.00 25.44 H new ATOM 0 HB2 ALA A 20 14.745 10.744 3.812 1.00 25.44 H new ATOM 0 HB3 ALA A 20 13.498 11.747 3.035 1.00 25.44 H new ATOM 293 N GLY A 21 11.676 13.421 5.080 1.00 63.23 N ATOM 294 CA GLY A 21 10.987 14.698 5.111 1.00 61.42 C ATOM 295 C GLY A 21 11.069 15.433 3.788 1.00 73.12 C ATOM 296 O GLY A 21 11.953 16.266 3.586 1.00 52.44 O ATOM 0 H GLY A 21 11.071 12.611 4.947 1.00 63.23 H new ATOM 0 HA2 GLY A 21 9.940 14.537 5.369 1.00 61.42 H new ATOM 0 HA3 GLY A 21 11.417 15.320 5.896 1.00 61.42 H new ATOM 300 N LEU A 22 10.146 15.124 2.883 1.00 22.13 N ATOM 301 CA LEU A 22 10.118 15.760 1.571 1.00 51.40 C ATOM 302 C LEU A 22 8.758 15.575 0.905 1.00 63.11 C ATOM 303 O LEU A 22 7.944 14.763 1.346 1.00 51.03 O ATOM 304 CB LEU A 22 11.219 15.184 0.679 1.00 74.22 C ATOM 305 CG LEU A 22 11.208 13.666 0.497 1.00 65.40 C ATOM 306 CD1 LEU A 22 10.299 13.272 -0.657 1.00 44.21 C ATOM 307 CD2 LEU A 22 12.620 13.147 0.267 1.00 64.41 C ATOM 0 H LEU A 22 9.407 14.437 3.034 1.00 22.13 H new ATOM 0 HA LEU A 22 10.292 16.827 1.708 1.00 51.40 H new ATOM 0 HB2 LEU A 22 11.143 15.649 -0.304 1.00 74.22 H new ATOM 0 HB3 LEU A 22 12.184 15.473 1.094 1.00 74.22 H new ATOM 0 HG LEU A 22 10.819 13.213 1.409 1.00 65.40 H new ATOM 0 HD11 LEU A 22 10.304 12.188 -0.771 1.00 44.21 H new ATOM 0 HD12 LEU A 22 9.283 13.610 -0.452 1.00 44.21 H new ATOM 0 HD13 LEU A 22 10.657 13.735 -1.577 1.00 44.21 H new ATOM 0 HD21 LEU A 22 12.594 12.065 0.139 1.00 64.41 H new ATOM 0 HD22 LEU A 22 13.036 13.608 -0.629 1.00 64.41 H new ATOM 0 HD23 LEU A 22 13.244 13.396 1.126 1.00 64.41 H new ATOM 319 N THR A 23 8.519 16.332 -0.162 1.00 22.33 N ATOM 320 CA THR A 23 7.259 16.250 -0.890 1.00 3.43 C ATOM 321 C THR A 23 7.213 15.008 -1.772 1.00 22.03 C ATOM 322 O THR A 23 8.228 14.595 -2.333 1.00 30.41 O ATOM 323 CB THR A 23 7.035 17.497 -1.766 1.00 45.03 C ATOM 324 OG1 THR A 23 8.290 17.981 -2.259 1.00 52.01 O ATOM 325 CG2 THR A 23 6.337 18.595 -0.978 1.00 20.41 C ATOM 0 H THR A 23 9.182 17.009 -0.541 1.00 22.33 H new ATOM 0 HA THR A 23 6.466 16.191 -0.144 1.00 3.43 H new ATOM 0 HB THR A 23 6.399 17.214 -2.605 1.00 45.03 H new ATOM 0 HG1 THR A 23 8.139 18.773 -2.816 1.00 52.01 H new ATOM 0 HG21 THR A 23 6.190 19.465 -1.618 1.00 20.41 H new ATOM 0 HG22 THR A 23 5.370 18.234 -0.629 1.00 20.41 H new ATOM 0 HG23 THR A 23 6.950 18.874 -0.121 1.00 20.41 H new ATOM 333 N VAL A 24 6.029 14.416 -1.891 1.00 30.02 N ATOM 334 CA VAL A 24 5.850 13.221 -2.707 1.00 22.02 C ATOM 335 C VAL A 24 6.412 13.424 -4.109 1.00 52.35 C ATOM 336 O VAL A 24 6.861 12.477 -4.753 1.00 23.10 O ATOM 337 CB VAL A 24 4.364 12.830 -2.812 1.00 41.54 C ATOM 338 CG1 VAL A 24 4.210 11.507 -3.546 1.00 23.11 C ATOM 339 CG2 VAL A 24 3.733 12.760 -1.430 1.00 72.11 C ATOM 0 H VAL A 24 5.179 14.745 -1.432 1.00 30.02 H new ATOM 0 HA VAL A 24 6.395 12.416 -2.214 1.00 22.02 H new ATOM 0 HB VAL A 24 3.844 13.598 -3.385 1.00 41.54 H new ATOM 0 HG11 VAL A 24 3.153 11.247 -3.610 1.00 23.11 H new ATOM 0 HG12 VAL A 24 4.623 11.598 -4.551 1.00 23.11 H new ATOM 0 HG13 VAL A 24 4.743 10.726 -3.004 1.00 23.11 H new ATOM 0 HG21 VAL A 24 2.683 12.482 -1.523 1.00 72.11 H new ATOM 0 HG22 VAL A 24 4.254 12.014 -0.830 1.00 72.11 H new ATOM 0 HG23 VAL A 24 3.809 13.733 -0.945 1.00 72.11 H new ATOM 349 N GLY A 25 6.383 14.668 -4.578 1.00 42.31 N ATOM 350 CA GLY A 25 6.893 14.974 -5.902 1.00 53.21 C ATOM 351 C GLY A 25 8.308 14.472 -6.109 1.00 73.52 C ATOM 352 O GLY A 25 8.674 14.066 -7.212 1.00 5.00 O ATOM 0 H GLY A 25 6.015 15.469 -4.065 1.00 42.31 H new ATOM 0 HA2 GLY A 25 6.239 14.528 -6.652 1.00 53.21 H new ATOM 0 HA3 GLY A 25 6.867 16.053 -6.058 1.00 53.21 H new ATOM 356 N SER A 26 9.105 14.499 -5.046 1.00 44.43 N ATOM 357 CA SER A 26 10.490 14.048 -5.118 1.00 2.11 C ATOM 358 C SER A 26 10.561 12.563 -5.459 1.00 34.33 C ATOM 359 O SER A 26 11.542 12.093 -6.035 1.00 60.03 O ATOM 360 CB SER A 26 11.204 14.313 -3.791 1.00 63.01 C ATOM 361 OG SER A 26 12.590 14.529 -3.992 1.00 43.11 O ATOM 0 H SER A 26 8.816 14.828 -4.125 1.00 44.43 H new ATOM 0 HA SER A 26 10.988 14.609 -5.909 1.00 2.11 H new ATOM 0 HB2 SER A 26 10.764 15.184 -3.305 1.00 63.01 H new ATOM 0 HB3 SER A 26 11.058 13.466 -3.120 1.00 63.01 H new ATOM 0 HG SER A 26 13.023 14.698 -3.129 1.00 43.11 H new ATOM 367 N ILE A 27 9.513 11.829 -5.098 1.00 1.21 N ATOM 368 CA ILE A 27 9.455 10.398 -5.366 1.00 32.40 C ATOM 369 C ILE A 27 9.385 10.121 -6.864 1.00 52.20 C ATOM 370 O ILE A 27 10.092 9.255 -7.379 1.00 61.12 O ATOM 371 CB ILE A 27 8.242 9.745 -4.678 1.00 34.14 C ATOM 372 CG1 ILE A 27 8.204 10.124 -3.196 1.00 33.43 C ATOM 373 CG2 ILE A 27 8.289 8.233 -4.843 1.00 11.24 C ATOM 374 CD1 ILE A 27 9.375 9.585 -2.404 1.00 73.22 C ATOM 0 H ILE A 27 8.693 12.202 -4.619 1.00 1.21 H new ATOM 0 HA ILE A 27 10.369 9.964 -4.961 1.00 32.40 H new ATOM 0 HB ILE A 27 7.332 10.114 -5.152 1.00 34.14 H new ATOM 0 HG12 ILE A 27 8.185 11.210 -3.108 1.00 33.43 H new ATOM 0 HG13 ILE A 27 7.278 9.752 -2.758 1.00 33.43 H new ATOM 0 HG21 ILE A 27 7.425 7.786 -4.351 1.00 11.24 H new ATOM 0 HG22 ILE A 27 8.273 7.982 -5.904 1.00 11.24 H new ATOM 0 HG23 ILE A 27 9.203 7.846 -4.393 1.00 11.24 H new ATOM 0 HD11 ILE A 27 9.282 9.893 -1.362 1.00 73.22 H new ATOM 0 HD12 ILE A 27 9.383 8.497 -2.462 1.00 73.22 H new ATOM 0 HD13 ILE A 27 10.305 9.977 -2.817 1.00 73.22 H new ATOM 386 N ILE A 28 8.529 10.864 -7.558 1.00 10.13 N ATOM 387 CA ILE A 28 8.369 10.701 -8.997 1.00 40.03 C ATOM 388 C ILE A 28 9.679 10.971 -9.730 1.00 53.40 C ATOM 389 O ILE A 28 10.012 10.289 -10.699 1.00 1.21 O ATOM 390 CB ILE A 28 7.280 11.638 -9.552 1.00 42.25 C ATOM 391 CG1 ILE A 28 5.937 11.351 -8.878 1.00 42.20 C ATOM 392 CG2 ILE A 28 7.166 11.481 -11.061 1.00 54.44 C ATOM 393 CD1 ILE A 28 4.997 12.536 -8.876 1.00 75.24 C ATOM 0 H ILE A 28 7.936 11.585 -7.146 1.00 10.13 H new ATOM 0 HA ILE A 28 8.068 9.667 -9.166 1.00 40.03 H new ATOM 0 HB ILE A 28 7.561 12.668 -9.333 1.00 42.25 H new ATOM 0 HG12 ILE A 28 5.455 10.516 -9.387 1.00 42.20 H new ATOM 0 HG13 ILE A 28 6.115 11.037 -7.850 1.00 42.20 H new ATOM 0 HG21 ILE A 28 6.392 12.149 -11.439 1.00 54.44 H new ATOM 0 HG22 ILE A 28 8.120 11.730 -11.526 1.00 54.44 H new ATOM 0 HG23 ILE A 28 6.904 10.451 -11.301 1.00 54.44 H new ATOM 0 HD11 ILE A 28 4.065 12.260 -8.382 1.00 75.24 H new ATOM 0 HD12 ILE A 28 5.459 13.366 -8.341 1.00 75.24 H new ATOM 0 HD13 ILE A 28 4.789 12.837 -9.903 1.00 75.24 H new ATOM 405 N SER A 29 10.418 11.970 -9.259 1.00 45.34 N ATOM 406 CA SER A 29 11.692 12.333 -9.871 1.00 33.30 C ATOM 407 C SER A 29 12.632 11.132 -9.921 1.00 34.12 C ATOM 408 O SER A 29 13.425 10.989 -10.852 1.00 1.54 O ATOM 409 CB SER A 29 12.347 13.476 -9.095 1.00 5.25 C ATOM 410 OG SER A 29 13.318 14.139 -9.886 1.00 3.11 O ATOM 0 H SER A 29 10.157 12.543 -8.456 1.00 45.34 H new ATOM 0 HA SER A 29 11.496 12.662 -10.892 1.00 33.30 H new ATOM 0 HB2 SER A 29 11.585 14.188 -8.777 1.00 5.25 H new ATOM 0 HB3 SER A 29 12.815 13.085 -8.191 1.00 5.25 H new ATOM 0 HG SER A 29 13.721 14.866 -9.368 1.00 3.11 H new ATOM 416 N ILE A 30 12.536 10.271 -8.913 1.00 12.40 N ATOM 417 CA ILE A 30 13.376 9.083 -8.842 1.00 20.53 C ATOM 418 C ILE A 30 12.873 7.997 -9.787 1.00 65.22 C ATOM 419 O ILE A 30 13.583 7.579 -10.704 1.00 13.13 O ATOM 420 CB ILE A 30 13.430 8.516 -7.410 1.00 42.35 C ATOM 421 CG1 ILE A 30 13.993 9.562 -6.446 1.00 14.42 C ATOM 422 CG2 ILE A 30 14.270 7.248 -7.374 1.00 1.30 C ATOM 423 CD1 ILE A 30 13.488 9.410 -5.028 1.00 21.21 C ATOM 0 H ILE A 30 11.885 10.375 -8.135 1.00 12.40 H new ATOM 0 HA ILE A 30 14.379 9.387 -9.142 1.00 20.53 H new ATOM 0 HB ILE A 30 12.417 8.266 -7.095 1.00 42.35 H new ATOM 0 HG12 ILE A 30 15.081 9.495 -6.445 1.00 14.42 H new ATOM 0 HG13 ILE A 30 13.735 10.556 -6.810 1.00 14.42 H new ATOM 0 HG21 ILE A 30 14.299 6.859 -6.356 1.00 1.30 H new ATOM 0 HG22 ILE A 30 13.830 6.501 -8.035 1.00 1.30 H new ATOM 0 HG23 ILE A 30 15.284 7.474 -7.705 1.00 1.30 H new ATOM 0 HD11 ILE A 30 13.928 10.185 -4.400 1.00 21.21 H new ATOM 0 HD12 ILE A 30 12.402 9.507 -5.016 1.00 21.21 H new ATOM 0 HD13 ILE A 30 13.769 8.429 -4.645 1.00 21.21 H new ATOM 435 N LEU A 31 11.645 7.544 -9.560 1.00 43.51 N ATOM 436 CA LEU A 31 11.045 6.508 -10.393 1.00 65.21 C ATOM 437 C LEU A 31 11.137 6.876 -11.871 1.00 21.35 C ATOM 438 O LEU A 31 11.440 6.032 -12.713 1.00 43.11 O ATOM 439 CB LEU A 31 9.583 6.292 -9.999 1.00 42.02 C ATOM 440 CG LEU A 31 9.336 5.324 -8.842 1.00 13.14 C ATOM 441 CD1 LEU A 31 8.126 5.761 -8.030 1.00 3.13 C ATOM 442 CD2 LEU A 31 9.147 3.907 -9.363 1.00 31.14 C ATOM 0 H LEU A 31 11.045 7.878 -8.806 1.00 43.51 H new ATOM 0 HA LEU A 31 11.598 5.582 -10.233 1.00 65.21 H new ATOM 0 HB2 LEU A 31 9.152 7.258 -9.737 1.00 42.02 H new ATOM 0 HB3 LEU A 31 9.042 5.928 -10.873 1.00 42.02 H new ATOM 0 HG LEU A 31 10.210 5.336 -8.190 1.00 13.14 H new ATOM 0 HD11 LEU A 31 7.965 5.060 -7.211 1.00 3.13 H new ATOM 0 HD12 LEU A 31 8.300 6.758 -7.626 1.00 3.13 H new ATOM 0 HD13 LEU A 31 7.245 5.778 -8.671 1.00 3.13 H new ATOM 0 HD21 LEU A 31 8.972 3.232 -8.525 1.00 31.14 H new ATOM 0 HD22 LEU A 31 8.291 3.878 -10.037 1.00 31.14 H new ATOM 0 HD23 LEU A 31 10.042 3.594 -9.900 1.00 31.14 H new ATOM 454 N GLY A 32 10.875 8.143 -12.177 1.00 74.43 N ATOM 455 CA GLY A 32 10.935 8.601 -13.553 1.00 72.50 C ATOM 456 C GLY A 32 10.111 7.737 -14.488 1.00 0.41 C ATOM 457 O GLY A 32 10.634 7.180 -15.452 1.00 50.32 O ATOM 0 H GLY A 32 10.622 8.860 -11.497 1.00 74.43 H new ATOM 0 HA2 GLY A 32 10.579 9.630 -13.606 1.00 72.50 H new ATOM 0 HA3 GLY A 32 11.973 8.605 -13.887 1.00 72.50 H new ATOM 461 N GLY A 33 8.817 7.625 -14.201 1.00 65.54 N ATOM 462 CA GLY A 33 7.941 6.820 -15.032 1.00 61.23 C ATOM 463 C GLY A 33 6.481 7.191 -14.864 1.00 61.32 C ATOM 464 O GLY A 33 5.647 6.338 -14.559 1.00 63.22 O ATOM 0 H GLY A 33 8.361 8.077 -13.409 1.00 65.54 H new ATOM 0 HA2 GLY A 33 8.225 6.940 -16.077 1.00 61.23 H new ATOM 0 HA3 GLY A 33 8.076 5.767 -14.784 1.00 61.23 H new ATOM 468 N VAL A 34 6.170 8.468 -15.062 1.00 31.11 N ATOM 469 CA VAL A 34 4.800 8.950 -14.930 1.00 4.42 C ATOM 470 C VAL A 34 4.177 8.483 -13.620 1.00 30.24 C ATOM 471 O VAL A 34 3.092 7.900 -13.608 1.00 23.32 O ATOM 472 CB VAL A 34 3.922 8.475 -16.102 1.00 62.52 C ATOM 473 CG1 VAL A 34 2.600 9.227 -16.119 1.00 22.41 C ATOM 474 CG2 VAL A 34 4.659 8.645 -17.422 1.00 74.34 C ATOM 0 H VAL A 34 6.848 9.187 -15.314 1.00 31.11 H new ATOM 0 HA VAL A 34 4.846 10.039 -14.939 1.00 4.42 H new ATOM 0 HB VAL A 34 3.707 7.415 -15.966 1.00 62.52 H new ATOM 0 HG11 VAL A 34 1.993 8.877 -16.954 1.00 22.41 H new ATOM 0 HG12 VAL A 34 2.068 9.049 -15.184 1.00 22.41 H new ATOM 0 HG13 VAL A 34 2.790 10.295 -16.230 1.00 22.41 H new ATOM 0 HG21 VAL A 34 4.024 8.304 -18.240 1.00 74.34 H new ATOM 0 HG22 VAL A 34 4.906 9.697 -17.568 1.00 74.34 H new ATOM 0 HG23 VAL A 34 5.576 8.056 -17.405 1.00 74.34 H new ATOM 484 N THR A 35 4.870 8.743 -12.515 1.00 34.41 N ATOM 485 CA THR A 35 4.385 8.348 -11.198 1.00 51.13 C ATOM 486 C THR A 35 3.482 9.421 -10.600 1.00 42.25 C ATOM 487 O THR A 35 3.101 9.346 -9.432 1.00 44.22 O ATOM 488 CB THR A 35 5.551 8.075 -10.229 1.00 55.40 C ATOM 489 OG1 THR A 35 6.763 8.626 -10.754 1.00 45.12 O ATOM 490 CG2 THR A 35 5.724 6.582 -9.998 1.00 60.20 C ATOM 0 H THR A 35 5.769 9.225 -12.506 1.00 34.41 H new ATOM 0 HA THR A 35 3.813 7.430 -11.334 1.00 51.13 H new ATOM 0 HB THR A 35 5.321 8.549 -9.275 1.00 55.40 H new ATOM 0 HG1 THR A 35 7.421 7.910 -10.877 1.00 45.12 H new ATOM 0 HG21 THR A 35 6.553 6.414 -9.311 1.00 60.20 H new ATOM 0 HG22 THR A 35 4.809 6.172 -9.570 1.00 60.20 H new ATOM 0 HG23 THR A 35 5.934 6.089 -10.947 1.00 60.20 H new ATOM 498 N VAL A 36 3.142 10.420 -11.409 1.00 61.12 N ATOM 499 CA VAL A 36 2.282 11.508 -10.960 1.00 40.22 C ATOM 500 C VAL A 36 0.965 10.975 -10.408 1.00 13.43 C ATOM 501 O VAL A 36 0.315 11.625 -9.590 1.00 34.33 O ATOM 502 CB VAL A 36 1.984 12.497 -12.103 1.00 63.54 C ATOM 503 CG1 VAL A 36 3.206 13.353 -12.401 1.00 13.04 C ATOM 504 CG2 VAL A 36 1.531 11.749 -13.349 1.00 1.35 C ATOM 0 H VAL A 36 3.449 10.498 -12.379 1.00 61.12 H new ATOM 0 HA VAL A 36 2.820 12.030 -10.169 1.00 40.22 H new ATOM 0 HB VAL A 36 1.176 13.157 -11.788 1.00 63.54 H new ATOM 0 HG11 VAL A 36 2.976 14.045 -13.211 1.00 13.04 H new ATOM 0 HG12 VAL A 36 3.482 13.916 -11.509 1.00 13.04 H new ATOM 0 HG13 VAL A 36 4.036 12.712 -12.696 1.00 13.04 H new ATOM 0 HG21 VAL A 36 1.325 12.462 -14.147 1.00 1.35 H new ATOM 0 HG22 VAL A 36 2.317 11.065 -13.668 1.00 1.35 H new ATOM 0 HG23 VAL A 36 0.627 11.183 -13.125 1.00 1.35 H new ATOM 514 N GLY A 37 0.577 9.787 -10.861 1.00 14.02 N ATOM 515 CA GLY A 37 -0.662 9.186 -10.401 1.00 3.12 C ATOM 516 C GLY A 37 -0.546 8.621 -8.999 1.00 12.11 C ATOM 517 O GLY A 37 -1.432 8.820 -8.166 1.00 71.45 O ATOM 0 H GLY A 37 1.098 9.230 -11.538 1.00 14.02 H new ATOM 0 HA2 GLY A 37 -1.455 9.933 -10.424 1.00 3.12 H new ATOM 0 HA3 GLY A 37 -0.953 8.391 -11.087 1.00 3.12 H new ATOM 521 N LEU A 38 0.547 7.914 -8.736 1.00 61.33 N ATOM 522 CA LEU A 38 0.775 7.316 -7.425 1.00 60.02 C ATOM 523 C LEU A 38 0.968 8.393 -6.362 1.00 64.41 C ATOM 524 O LEU A 38 0.772 8.146 -5.172 1.00 43.31 O ATOM 525 CB LEU A 38 1.998 6.399 -7.467 1.00 24.42 C ATOM 526 CG LEU A 38 1.738 4.951 -7.884 1.00 33.33 C ATOM 527 CD1 LEU A 38 0.965 4.903 -9.193 1.00 1.03 C ATOM 528 CD2 LEU A 38 3.048 4.187 -8.008 1.00 2.24 C ATOM 0 H LEU A 38 1.290 7.741 -9.413 1.00 61.33 H new ATOM 0 HA LEU A 38 -0.104 6.727 -7.163 1.00 60.02 H new ATOM 0 HB2 LEU A 38 2.726 6.829 -8.155 1.00 24.42 H new ATOM 0 HB3 LEU A 38 2.458 6.394 -6.479 1.00 24.42 H new ATOM 0 HG LEU A 38 1.135 4.474 -7.112 1.00 33.33 H new ATOM 0 HD11 LEU A 38 0.789 3.865 -9.474 1.00 1.03 H new ATOM 0 HD12 LEU A 38 0.009 5.412 -9.070 1.00 1.03 H new ATOM 0 HD13 LEU A 38 1.542 5.398 -9.975 1.00 1.03 H new ATOM 0 HD21 LEU A 38 2.843 3.159 -8.305 1.00 2.24 H new ATOM 0 HD22 LEU A 38 3.677 4.663 -8.760 1.00 2.24 H new ATOM 0 HD23 LEU A 38 3.564 4.191 -7.048 1.00 2.24 H new ATOM 540 N SER A 39 1.352 9.587 -6.800 1.00 43.42 N ATOM 541 CA SER A 39 1.574 10.702 -5.886 1.00 73.22 C ATOM 542 C SER A 39 0.339 10.952 -5.026 1.00 12.40 C ATOM 543 O SER A 39 0.441 11.433 -3.898 1.00 41.43 O ATOM 544 CB SER A 39 1.930 11.968 -6.668 1.00 73.54 C ATOM 545 OG SER A 39 2.906 12.733 -5.983 1.00 71.21 O ATOM 0 H SER A 39 1.516 9.808 -7.782 1.00 43.42 H new ATOM 0 HA SER A 39 2.406 10.443 -5.231 1.00 73.22 H new ATOM 0 HB2 SER A 39 2.304 11.696 -7.655 1.00 73.54 H new ATOM 0 HB3 SER A 39 1.034 12.569 -6.821 1.00 73.54 H new ATOM 0 HG SER A 39 3.117 13.536 -6.504 1.00 71.21 H new ATOM 551 N GLY A 40 -0.830 10.622 -5.568 1.00 45.01 N ATOM 552 CA GLY A 40 -2.068 10.818 -4.838 1.00 12.22 C ATOM 553 C GLY A 40 -2.302 9.744 -3.794 1.00 73.03 C ATOM 554 O GLY A 40 -3.053 9.948 -2.840 1.00 72.13 O ATOM 0 H GLY A 40 -0.941 10.222 -6.500 1.00 45.01 H new ATOM 0 HA2 GLY A 40 -2.049 11.794 -4.353 1.00 12.22 H new ATOM 0 HA3 GLY A 40 -2.902 10.826 -5.539 1.00 12.22 H new ATOM 558 N VAL A 41 -1.659 8.595 -3.976 1.00 32.25 N ATOM 559 CA VAL A 41 -1.801 7.484 -3.042 1.00 75.33 C ATOM 560 C VAL A 41 -0.706 7.513 -1.982 1.00 73.31 C ATOM 561 O VAL A 41 -0.886 7.005 -0.875 1.00 4.22 O ATOM 562 CB VAL A 41 -1.758 6.128 -3.773 1.00 0.34 C ATOM 563 CG1 VAL A 41 -1.880 4.982 -2.780 1.00 4.43 C ATOM 564 CG2 VAL A 41 -2.856 6.054 -4.822 1.00 73.25 C ATOM 0 H VAL A 41 -1.035 8.409 -4.761 1.00 32.25 H new ATOM 0 HA VAL A 41 -2.772 7.598 -2.559 1.00 75.33 H new ATOM 0 HB VAL A 41 -0.797 6.038 -4.279 1.00 0.34 H new ATOM 0 HG11 VAL A 41 -1.848 4.033 -3.314 1.00 4.43 H new ATOM 0 HG12 VAL A 41 -1.055 5.027 -2.070 1.00 4.43 H new ATOM 0 HG13 VAL A 41 -2.825 5.064 -2.244 1.00 4.43 H new ATOM 0 HG21 VAL A 41 -2.811 5.090 -5.328 1.00 73.25 H new ATOM 0 HG22 VAL A 41 -3.827 6.166 -4.340 1.00 73.25 H new ATOM 0 HG23 VAL A 41 -2.718 6.853 -5.550 1.00 73.25 H new ATOM 574 N PHE A 42 0.429 8.111 -2.328 1.00 71.53 N ATOM 575 CA PHE A 42 1.555 8.206 -1.406 1.00 72.14 C ATOM 576 C PHE A 42 1.148 8.927 -0.124 1.00 64.34 C ATOM 577 O PHE A 42 1.385 8.436 0.980 1.00 21.11 O ATOM 578 CB PHE A 42 2.723 8.939 -2.069 1.00 0.12 C ATOM 579 CG PHE A 42 4.070 8.480 -1.587 1.00 75.53 C ATOM 580 CD1 PHE A 42 4.458 7.157 -1.733 1.00 12.54 C ATOM 581 CD2 PHE A 42 4.947 9.370 -0.989 1.00 32.41 C ATOM 582 CE1 PHE A 42 5.696 6.731 -1.291 1.00 3.31 C ATOM 583 CE2 PHE A 42 6.187 8.949 -0.546 1.00 14.42 C ATOM 584 CZ PHE A 42 6.561 7.628 -0.696 1.00 4.52 C ATOM 0 H PHE A 42 0.594 8.537 -3.240 1.00 71.53 H new ATOM 0 HA PHE A 42 1.869 7.194 -1.149 1.00 72.14 H new ATOM 0 HB2 PHE A 42 2.665 8.798 -3.148 1.00 0.12 H new ATOM 0 HB3 PHE A 42 2.624 10.008 -1.882 1.00 0.12 H new ATOM 0 HD1 PHE A 42 3.785 6.451 -2.197 1.00 12.54 H new ATOM 0 HD2 PHE A 42 4.659 10.404 -0.868 1.00 32.41 H new ATOM 0 HE1 PHE A 42 5.987 5.698 -1.411 1.00 3.31 H new ATOM 0 HE2 PHE A 42 6.863 9.653 -0.083 1.00 14.42 H new ATOM 0 HZ PHE A 42 7.529 7.297 -0.348 1.00 4.52 H new ATOM 594 N THR A 43 0.535 10.096 -0.279 1.00 1.20 N ATOM 595 CA THR A 43 0.097 10.886 0.864 1.00 0.55 C ATOM 596 C THR A 43 -0.853 10.090 1.752 1.00 50.24 C ATOM 597 O THR A 43 -0.727 10.098 2.976 1.00 72.32 O ATOM 598 CB THR A 43 -0.603 12.183 0.416 1.00 0.20 C ATOM 599 OG1 THR A 43 -0.961 12.093 -0.967 1.00 54.24 O ATOM 600 CG2 THR A 43 0.299 13.388 0.634 1.00 2.50 C ATOM 0 H THR A 43 0.331 10.517 -1.186 1.00 1.20 H new ATOM 0 HA THR A 43 0.992 11.142 1.432 1.00 0.55 H new ATOM 0 HB THR A 43 -1.504 12.310 1.017 1.00 0.20 H new ATOM 0 HG1 THR A 43 -1.407 12.921 -1.244 1.00 54.24 H new ATOM 0 HG21 THR A 43 -0.217 14.292 0.310 1.00 2.50 H new ATOM 0 HG22 THR A 43 0.546 13.471 1.692 1.00 2.50 H new ATOM 0 HG23 THR A 43 1.215 13.266 0.056 1.00 2.50 H new ATOM 608 N ALA A 44 -1.803 9.403 1.126 1.00 14.32 N ATOM 609 CA ALA A 44 -2.773 8.599 1.859 1.00 12.45 C ATOM 610 C ALA A 44 -2.079 7.532 2.698 1.00 31.41 C ATOM 611 O ALA A 44 -2.472 7.267 3.834 1.00 13.34 O ATOM 612 CB ALA A 44 -3.762 7.958 0.897 1.00 21.54 C ATOM 0 H ALA A 44 -1.921 9.387 0.113 1.00 14.32 H new ATOM 0 HA ALA A 44 -3.317 9.258 2.535 1.00 12.45 H new ATOM 0 HB1 ALA A 44 -4.480 7.361 1.458 1.00 21.54 H new ATOM 0 HB2 ALA A 44 -4.290 8.736 0.345 1.00 21.54 H new ATOM 0 HB3 ALA A 44 -3.226 7.317 0.197 1.00 21.54 H new ATOM 618 N VAL A 45 -1.045 6.920 2.130 1.00 24.53 N ATOM 619 CA VAL A 45 -0.295 5.880 2.826 1.00 12.31 C ATOM 620 C VAL A 45 0.535 6.468 3.962 1.00 41.14 C ATOM 621 O VAL A 45 0.575 5.922 5.064 1.00 20.41 O ATOM 622 CB VAL A 45 0.637 5.120 1.864 1.00 53.45 C ATOM 623 CG1 VAL A 45 1.429 4.060 2.613 1.00 50.01 C ATOM 624 CG2 VAL A 45 -0.163 4.498 0.729 1.00 20.31 C ATOM 0 H VAL A 45 -0.707 7.126 1.190 1.00 24.53 H new ATOM 0 HA VAL A 45 -1.026 5.184 3.237 1.00 12.31 H new ATOM 0 HB VAL A 45 1.344 5.830 1.434 1.00 53.45 H new ATOM 0 HG11 VAL A 45 2.082 3.534 1.917 1.00 50.01 H new ATOM 0 HG12 VAL A 45 2.032 4.535 3.387 1.00 50.01 H new ATOM 0 HG13 VAL A 45 0.742 3.350 3.073 1.00 50.01 H new ATOM 0 HG21 VAL A 45 0.511 3.965 0.058 1.00 20.31 H new ATOM 0 HG22 VAL A 45 -0.894 3.801 1.139 1.00 20.31 H new ATOM 0 HG23 VAL A 45 -0.680 5.282 0.176 1.00 20.31 H new ATOM 634 N LYS A 46 1.197 7.586 3.685 1.00 4.43 N ATOM 635 CA LYS A 46 2.026 8.252 4.683 1.00 25.43 C ATOM 636 C LYS A 46 1.239 8.501 5.966 1.00 64.02 C ATOM 637 O LYS A 46 1.684 8.147 7.057 1.00 24.50 O ATOM 638 CB LYS A 46 2.559 9.577 4.133 1.00 74.20 C ATOM 639 CG LYS A 46 3.786 10.090 4.865 1.00 2.32 C ATOM 640 CD LYS A 46 3.405 10.974 6.041 1.00 42.10 C ATOM 641 CE LYS A 46 3.219 12.422 5.613 1.00 71.32 C ATOM 642 NZ LYS A 46 3.501 13.370 6.726 1.00 53.02 N ATOM 0 H LYS A 46 1.176 8.050 2.777 1.00 4.43 H new ATOM 0 HA LYS A 46 2.867 7.598 4.915 1.00 25.43 H new ATOM 0 HB2 LYS A 46 2.802 9.451 3.078 1.00 74.20 H new ATOM 0 HB3 LYS A 46 1.771 10.328 4.191 1.00 74.20 H new ATOM 0 HG2 LYS A 46 4.378 9.246 5.220 1.00 2.32 H new ATOM 0 HG3 LYS A 46 4.414 10.653 4.174 1.00 2.32 H new ATOM 0 HD2 LYS A 46 2.483 10.605 6.491 1.00 42.10 H new ATOM 0 HD3 LYS A 46 4.179 10.916 6.807 1.00 42.10 H new ATOM 0 HE2 LYS A 46 3.880 12.640 4.774 1.00 71.32 H new ATOM 0 HE3 LYS A 46 2.198 12.568 5.261 1.00 71.32 H new ATOM 0 HZ1 LYS A 46 3.363 14.346 6.394 1.00 53.02 H new ATOM 0 HZ2 LYS A 46 2.854 13.179 7.517 1.00 53.02 H new ATOM 0 HZ3 LYS A 46 4.483 13.248 7.045 1.00 53.02 H new ATOM 656 N ALA A 47 0.067 9.112 5.826 1.00 23.32 N ATOM 657 CA ALA A 47 -0.783 9.405 6.973 1.00 22.23 C ATOM 658 C ALA A 47 -1.089 8.139 7.768 1.00 44.54 C ATOM 659 O ALA A 47 -1.156 8.168 8.996 1.00 75.40 O ATOM 660 CB ALA A 47 -2.074 10.069 6.518 1.00 44.14 C ATOM 0 H ALA A 47 -0.315 9.414 4.930 1.00 23.32 H new ATOM 0 HA ALA A 47 -0.245 10.092 7.626 1.00 22.23 H new ATOM 0 HB1 ALA A 47 -2.699 10.282 7.385 1.00 44.14 H new ATOM 0 HB2 ALA A 47 -1.842 11.000 6.001 1.00 44.14 H new ATOM 0 HB3 ALA A 47 -2.608 9.401 5.841 1.00 44.14 H new ATOM 666 N ALA A 48 -1.273 7.031 7.058 1.00 51.01 N ATOM 667 CA ALA A 48 -1.570 5.755 7.697 1.00 15.32 C ATOM 668 C ALA A 48 -0.479 5.372 8.691 1.00 72.42 C ATOM 669 O ALA A 48 -0.739 4.680 9.676 1.00 51.10 O ATOM 670 CB ALA A 48 -1.739 4.666 6.648 1.00 22.04 C ATOM 0 H ALA A 48 -1.222 6.991 6.040 1.00 51.01 H new ATOM 0 HA ALA A 48 -2.505 5.861 8.248 1.00 15.32 H new ATOM 0 HB1 ALA A 48 -1.960 3.719 7.139 1.00 22.04 H new ATOM 0 HB2 ALA A 48 -2.559 4.929 5.980 1.00 22.04 H new ATOM 0 HB3 ALA A 48 -0.819 4.570 6.072 1.00 22.04 H new ATOM 676 N ILE A 49 0.742 5.824 8.425 1.00 33.42 N ATOM 677 CA ILE A 49 1.872 5.527 9.297 1.00 52.31 C ATOM 678 C ILE A 49 1.598 5.983 10.726 1.00 32.32 C ATOM 679 O ILE A 49 1.686 5.195 11.667 1.00 34.51 O ATOM 680 CB ILE A 49 3.162 6.201 8.794 1.00 64.30 C ATOM 681 CG1 ILE A 49 3.482 5.741 7.370 1.00 21.31 C ATOM 682 CG2 ILE A 49 4.321 5.890 9.730 1.00 61.15 C ATOM 683 CD1 ILE A 49 4.522 6.594 6.679 1.00 41.24 C ATOM 0 H ILE A 49 0.974 6.397 7.613 1.00 33.42 H new ATOM 0 HA ILE A 49 2.007 4.445 9.283 1.00 52.31 H new ATOM 0 HB ILE A 49 3.010 7.280 8.781 1.00 64.30 H new ATOM 0 HG12 ILE A 49 3.832 4.709 7.400 1.00 21.31 H new ATOM 0 HG13 ILE A 49 2.566 5.750 6.779 1.00 21.31 H new ATOM 0 HG21 ILE A 49 5.226 6.373 9.362 1.00 61.15 H new ATOM 0 HG22 ILE A 49 4.092 6.262 10.729 1.00 61.15 H new ATOM 0 HG23 ILE A 49 4.476 4.812 9.771 1.00 61.15 H new ATOM 0 HD11 ILE A 49 4.699 6.210 5.674 1.00 41.24 H new ATOM 0 HD12 ILE A 49 4.166 7.622 6.617 1.00 41.24 H new ATOM 0 HD13 ILE A 49 5.452 6.566 7.247 1.00 41.24 H new ATOM 695 N ALA A 50 1.264 7.260 10.881 1.00 72.23 N ATOM 696 CA ALA A 50 0.973 7.820 12.195 1.00 72.43 C ATOM 697 C ALA A 50 -0.282 7.193 12.793 1.00 70.32 C ATOM 698 O ALA A 50 -0.465 7.184 14.010 1.00 2.44 O ATOM 699 CB ALA A 50 0.818 9.330 12.102 1.00 14.40 C ATOM 0 H ALA A 50 1.188 7.926 10.112 1.00 72.23 H new ATOM 0 HA ALA A 50 1.811 7.592 12.854 1.00 72.43 H new ATOM 0 HB1 ALA A 50 0.601 9.735 13.090 1.00 14.40 H new ATOM 0 HB2 ALA A 50 1.742 9.768 11.725 1.00 14.40 H new ATOM 0 HB3 ALA A 50 -0.000 9.571 11.424 1.00 14.40 H new ATOM 705 N LYS A 51 -1.145 6.669 11.929 1.00 32.33 N ATOM 706 CA LYS A 51 -2.384 6.039 12.371 1.00 24.35 C ATOM 707 C LYS A 51 -2.115 4.645 12.931 1.00 14.20 C ATOM 708 O LYS A 51 -2.696 4.251 13.942 1.00 4.23 O ATOM 709 CB LYS A 51 -3.378 5.951 11.211 1.00 0.35 C ATOM 710 CG LYS A 51 -4.308 7.148 11.116 1.00 11.43 C ATOM 711 CD LYS A 51 -3.584 8.377 10.592 1.00 62.00 C ATOM 712 CE LYS A 51 -4.397 9.642 10.818 1.00 54.14 C ATOM 713 NZ LYS A 51 -4.158 10.222 12.168 1.00 31.13 N ATOM 0 H LYS A 51 -1.009 6.668 10.918 1.00 32.33 H new ATOM 0 HA LYS A 51 -2.813 6.654 13.163 1.00 24.35 H new ATOM 0 HB2 LYS A 51 -2.825 5.856 10.276 1.00 0.35 H new ATOM 0 HB3 LYS A 51 -3.975 5.046 11.322 1.00 0.35 H new ATOM 0 HG2 LYS A 51 -5.144 6.909 10.458 1.00 11.43 H new ATOM 0 HG3 LYS A 51 -4.727 7.363 12.099 1.00 11.43 H new ATOM 0 HD2 LYS A 51 -2.618 8.471 11.088 1.00 62.00 H new ATOM 0 HD3 LYS A 51 -3.385 8.257 9.527 1.00 62.00 H new ATOM 0 HE2 LYS A 51 -4.142 10.379 10.056 1.00 54.14 H new ATOM 0 HE3 LYS A 51 -5.457 9.418 10.702 1.00 54.14 H new ATOM 0 HZ1 LYS A 51 -4.730 11.083 12.282 1.00 31.13 H new ATOM 0 HZ2 LYS A 51 -4.425 9.529 12.896 1.00 31.13 H new ATOM 0 HZ3 LYS A 51 -3.151 10.460 12.270 1.00 31.13 H new ATOM 727 N GLN A 52 -1.233 3.906 12.268 1.00 65.25 N ATOM 728 CA GLN A 52 -0.888 2.557 12.700 1.00 22.23 C ATOM 729 C GLN A 52 0.615 2.425 12.926 1.00 33.14 C ATOM 730 O GLN A 52 1.072 2.288 14.060 1.00 24.50 O ATOM 731 CB GLN A 52 -1.352 1.532 11.664 1.00 64.21 C ATOM 732 CG GLN A 52 -2.827 1.182 11.772 1.00 20.02 C ATOM 733 CD GLN A 52 -3.173 0.512 13.087 1.00 21.22 C ATOM 734 OE1 GLN A 52 -3.921 1.059 13.898 1.00 31.40 O ATOM 735 NE2 GLN A 52 -2.629 -0.680 13.306 1.00 42.41 N ATOM 0 H GLN A 52 -0.744 4.218 11.429 1.00 65.25 H new ATOM 0 HA GLN A 52 -1.397 2.364 13.644 1.00 22.23 H new ATOM 0 HB2 GLN A 52 -1.152 1.921 10.666 1.00 64.21 H new ATOM 0 HB3 GLN A 52 -0.762 0.622 11.776 1.00 64.21 H new ATOM 0 HG2 GLN A 52 -3.421 2.090 11.664 1.00 20.02 H new ATOM 0 HG3 GLN A 52 -3.101 0.522 10.949 1.00 20.02 H new ATOM 0 HE21 GLN A 52 -2.015 -1.097 12.606 1.00 42.41 H new ATOM 0 HE22 GLN A 52 -2.826 -1.179 14.174 1.00 42.41 H new ATOM 744 N GLY A 53 1.378 2.467 11.838 1.00 0.14 N ATOM 745 CA GLY A 53 2.821 2.350 11.940 1.00 50.44 C ATOM 746 C GLY A 53 3.480 2.124 10.594 1.00 62.24 C ATOM 747 O GLY A 53 2.843 1.641 9.657 1.00 64.41 O ATOM 0 H GLY A 53 1.023 2.580 10.888 1.00 0.14 H new ATOM 0 HA2 GLY A 53 3.225 3.256 12.391 1.00 50.44 H new ATOM 0 HA3 GLY A 53 3.069 1.524 12.606 1.00 50.44 H new ATOM 751 N ILE A 54 4.758 2.475 10.496 1.00 70.42 N ATOM 752 CA ILE A 54 5.503 2.307 9.254 1.00 12.12 C ATOM 753 C ILE A 54 5.372 0.884 8.722 1.00 33.02 C ATOM 754 O ILE A 54 5.323 0.663 7.512 1.00 45.41 O ATOM 755 CB ILE A 54 6.995 2.637 9.444 1.00 22.30 C ATOM 756 CG1 ILE A 54 7.559 1.876 10.646 1.00 11.52 C ATOM 757 CG2 ILE A 54 7.188 4.135 9.620 1.00 3.52 C ATOM 758 CD1 ILE A 54 9.030 2.133 10.888 1.00 52.40 C ATOM 0 H ILE A 54 5.299 2.877 11.261 1.00 70.42 H new ATOM 0 HA ILE A 54 5.074 3.002 8.532 1.00 12.12 H new ATOM 0 HB ILE A 54 7.538 2.323 8.552 1.00 22.30 H new ATOM 0 HG12 ILE A 54 6.998 2.155 11.538 1.00 11.52 H new ATOM 0 HG13 ILE A 54 7.405 0.808 10.494 1.00 11.52 H new ATOM 0 HG21 ILE A 54 8.248 4.352 9.753 1.00 3.52 H new ATOM 0 HG22 ILE A 54 6.819 4.656 8.736 1.00 3.52 H new ATOM 0 HG23 ILE A 54 6.636 4.472 10.497 1.00 3.52 H new ATOM 0 HD11 ILE A 54 9.361 1.561 11.755 1.00 52.40 H new ATOM 0 HD12 ILE A 54 9.602 1.827 10.012 1.00 52.40 H new ATOM 0 HD13 ILE A 54 9.188 3.196 11.072 1.00 52.40 H new ATOM 770 N LYS A 55 5.313 -0.080 9.635 1.00 53.20 N ATOM 771 CA LYS A 55 5.184 -1.483 9.260 1.00 53.23 C ATOM 772 C LYS A 55 3.944 -1.704 8.399 1.00 31.11 C ATOM 773 O LYS A 55 3.996 -2.397 7.383 1.00 63.12 O ATOM 774 CB LYS A 55 5.113 -2.362 10.510 1.00 21.22 C ATOM 775 CG LYS A 55 4.031 -1.941 11.489 1.00 31.33 C ATOM 776 CD LYS A 55 4.154 -2.683 12.810 1.00 62.34 C ATOM 777 CE LYS A 55 2.882 -2.567 13.635 1.00 2.24 C ATOM 778 NZ LYS A 55 2.750 -1.223 14.264 1.00 71.14 N ATOM 0 H LYS A 55 5.353 0.085 10.641 1.00 53.20 H new ATOM 0 HA LYS A 55 6.063 -1.760 8.678 1.00 53.23 H new ATOM 0 HB2 LYS A 55 4.937 -3.394 10.208 1.00 21.22 H new ATOM 0 HB3 LYS A 55 6.078 -2.338 11.016 1.00 21.22 H new ATOM 0 HG2 LYS A 55 4.097 -0.868 11.666 1.00 31.33 H new ATOM 0 HG3 LYS A 55 3.050 -2.132 11.053 1.00 31.33 H new ATOM 0 HD2 LYS A 55 4.371 -3.734 12.619 1.00 62.34 H new ATOM 0 HD3 LYS A 55 4.994 -2.282 13.377 1.00 62.34 H new ATOM 0 HE2 LYS A 55 2.018 -2.757 12.999 1.00 2.24 H new ATOM 0 HE3 LYS A 55 2.881 -3.333 14.411 1.00 2.24 H new ATOM 0 HZ1 LYS A 55 1.871 -1.184 14.818 1.00 71.14 H new ATOM 0 HZ2 LYS A 55 3.562 -1.052 14.891 1.00 71.14 H new ATOM 0 HZ3 LYS A 55 2.725 -0.494 13.523 1.00 71.14 H new ATOM 792 N LYS A 56 2.829 -1.110 8.811 1.00 4.14 N ATOM 793 CA LYS A 56 1.576 -1.239 8.077 1.00 22.14 C ATOM 794 C LYS A 56 1.671 -0.561 6.715 1.00 44.54 C ATOM 795 O LYS A 56 1.071 -1.015 5.741 1.00 22.12 O ATOM 796 CB LYS A 56 0.425 -0.632 8.882 1.00 11.21 C ATOM 797 CG LYS A 56 -0.834 -0.402 8.064 1.00 11.01 C ATOM 798 CD LYS A 56 -1.356 -1.699 7.468 1.00 13.52 C ATOM 799 CE LYS A 56 -1.792 -2.674 8.551 1.00 55.30 C ATOM 800 NZ LYS A 56 -2.353 -3.928 7.975 1.00 3.52 N ATOM 0 H LYS A 56 2.768 -0.534 9.650 1.00 4.14 H new ATOM 0 HA LYS A 56 1.382 -2.300 7.922 1.00 22.14 H new ATOM 0 HB2 LYS A 56 0.190 -1.291 9.718 1.00 11.21 H new ATOM 0 HB3 LYS A 56 0.751 0.317 9.307 1.00 11.21 H new ATOM 0 HG2 LYS A 56 -1.602 0.045 8.695 1.00 11.01 H new ATOM 0 HG3 LYS A 56 -0.625 0.309 7.265 1.00 11.01 H new ATOM 0 HD2 LYS A 56 -2.198 -1.485 6.809 1.00 13.52 H new ATOM 0 HD3 LYS A 56 -0.580 -2.157 6.855 1.00 13.52 H new ATOM 0 HE2 LYS A 56 -0.940 -2.916 9.187 1.00 55.30 H new ATOM 0 HE3 LYS A 56 -2.540 -2.200 9.187 1.00 55.30 H new ATOM 0 HZ1 LYS A 56 -2.638 -4.566 8.745 1.00 3.52 H new ATOM 0 HZ2 LYS A 56 -3.181 -3.701 7.389 1.00 3.52 H new ATOM 0 HZ3 LYS A 56 -1.631 -4.394 7.389 1.00 3.52 H new ATOM 814 N ALA A 57 2.430 0.529 6.653 1.00 64.33 N ATOM 815 CA ALA A 57 2.607 1.267 5.409 1.00 53.25 C ATOM 816 C ALA A 57 3.123 0.358 4.299 1.00 70.23 C ATOM 817 O ALA A 57 2.749 0.509 3.135 1.00 1.23 O ATOM 818 CB ALA A 57 3.556 2.437 5.619 1.00 2.33 C ATOM 0 H ALA A 57 2.932 0.920 7.450 1.00 64.33 H new ATOM 0 HA ALA A 57 1.634 1.653 5.104 1.00 53.25 H new ATOM 0 HB1 ALA A 57 3.679 2.979 4.681 1.00 2.33 H new ATOM 0 HB2 ALA A 57 3.146 3.107 6.374 1.00 2.33 H new ATOM 0 HB3 ALA A 57 4.525 2.064 5.952 1.00 2.33 H new ATOM 824 N ILE A 58 3.984 -0.586 4.666 1.00 53.43 N ATOM 825 CA ILE A 58 4.550 -1.519 3.700 1.00 25.24 C ATOM 826 C ILE A 58 3.458 -2.333 3.015 1.00 14.25 C ATOM 827 O ILE A 58 3.383 -2.380 1.788 1.00 24.30 O ATOM 828 CB ILE A 58 5.550 -2.482 4.368 1.00 35.34 C ATOM 829 CG1 ILE A 58 6.668 -1.696 5.055 1.00 44.03 C ATOM 830 CG2 ILE A 58 6.125 -3.445 3.341 1.00 71.24 C ATOM 831 CD1 ILE A 58 7.563 -2.552 5.924 1.00 41.23 C ATOM 0 H ILE A 58 4.304 -0.724 5.624 1.00 53.43 H new ATOM 0 HA ILE A 58 5.075 -0.921 2.955 1.00 25.24 H new ATOM 0 HB ILE A 58 5.022 -3.062 5.125 1.00 35.34 H new ATOM 0 HG12 ILE A 58 7.275 -1.205 4.295 1.00 44.03 H new ATOM 0 HG13 ILE A 58 6.225 -0.910 5.667 1.00 44.03 H new ATOM 0 HG21 ILE A 58 6.830 -4.119 3.828 1.00 71.24 H new ATOM 0 HG22 ILE A 58 5.318 -4.025 2.894 1.00 71.24 H new ATOM 0 HG23 ILE A 58 6.640 -2.882 2.563 1.00 71.24 H new ATOM 0 HD11 ILE A 58 8.333 -1.928 6.379 1.00 41.23 H new ATOM 0 HD12 ILE A 58 6.968 -3.023 6.706 1.00 41.23 H new ATOM 0 HD13 ILE A 58 8.034 -3.322 5.313 1.00 41.23 H new ATOM 843 N GLN A 59 2.611 -2.970 3.818 1.00 52.41 N ATOM 844 CA GLN A 59 1.521 -3.780 3.288 1.00 33.54 C ATOM 845 C GLN A 59 0.648 -2.966 2.339 1.00 62.21 C ATOM 846 O GLN A 59 0.102 -3.498 1.371 1.00 12.42 O ATOM 847 CB GLN A 59 0.670 -4.337 4.431 1.00 73.40 C ATOM 848 CG GLN A 59 1.468 -5.127 5.455 1.00 24.24 C ATOM 849 CD GLN A 59 0.590 -5.768 6.512 1.00 62.21 C ATOM 850 OE1 GLN A 59 0.722 -5.482 7.702 1.00 21.23 O ATOM 851 NE2 GLN A 59 -0.313 -6.641 6.081 1.00 14.22 N ATOM 0 H GLN A 59 2.659 -2.941 4.836 1.00 52.41 H new ATOM 0 HA GLN A 59 1.956 -4.609 2.730 1.00 33.54 H new ATOM 0 HB2 GLN A 59 0.167 -3.511 4.934 1.00 73.40 H new ATOM 0 HB3 GLN A 59 -0.107 -4.978 4.015 1.00 73.40 H new ATOM 0 HG2 GLN A 59 2.040 -5.902 4.945 1.00 24.24 H new ATOM 0 HG3 GLN A 59 2.187 -4.466 5.938 1.00 24.24 H new ATOM 0 HE21 GLN A 59 -0.387 -6.848 5.085 1.00 14.22 H new ATOM 0 HE22 GLN A 59 -0.932 -7.105 6.746 1.00 14.22 H new ATOM 860 N LEU A 60 0.521 -1.675 2.621 1.00 11.55 N ATOM 861 CA LEU A 60 -0.286 -0.786 1.792 1.00 12.15 C ATOM 862 C LEU A 60 0.323 -0.635 0.402 1.00 23.33 C ATOM 863 O LEU A 60 -0.382 -0.687 -0.605 1.00 13.21 O ATOM 864 CB LEU A 60 -0.415 0.586 2.457 1.00 51.14 C ATOM 865 CG LEU A 60 -1.833 1.020 2.832 1.00 64.33 C ATOM 866 CD1 LEU A 60 -2.745 0.971 1.616 1.00 31.51 C ATOM 867 CD2 LEU A 60 -2.381 0.143 3.948 1.00 23.31 C ATOM 0 H LEU A 60 0.966 -1.220 3.418 1.00 11.55 H new ATOM 0 HA LEU A 60 -1.277 -1.227 1.688 1.00 12.15 H new ATOM 0 HB2 LEU A 60 0.195 0.588 3.360 1.00 51.14 H new ATOM 0 HB3 LEU A 60 0.007 1.334 1.786 1.00 51.14 H new ATOM 0 HG LEU A 60 -1.795 2.049 3.191 1.00 64.33 H new ATOM 0 HD11 LEU A 60 -3.750 1.283 1.902 1.00 31.51 H new ATOM 0 HD12 LEU A 60 -2.362 1.641 0.847 1.00 31.51 H new ATOM 0 HD13 LEU A 60 -2.778 -0.047 1.227 1.00 31.51 H new ATOM 0 HD21 LEU A 60 -3.391 0.466 4.202 1.00 23.31 H new ATOM 0 HD22 LEU A 60 -2.405 -0.895 3.617 1.00 23.31 H new ATOM 0 HD23 LEU A 60 -1.741 0.229 4.826 1.00 23.31 H new