USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=12 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+ 149:sc= -0.186 (180deg=-0.636) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0381 K(o=-0.038,f=-1.3!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -161:sc= -0.0337 (180deg=-0.336) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0519 K(o=-0.052,f=-0.65) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0092 USER MOD Single : A 26 SER OG : rot 160:sc= -0.322 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -167:sc= -3.94! USER MOD Single : A 39 SER OG : rot 180:sc= -0.0291 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 46 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.23) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0135 X(o=-0.014,f=0) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.503 0.112 -0.087 1.00 3.44 N ATOM 2 CA LEU A 1 2.252 0.073 -1.338 1.00 61.20 C ATOM 3 C LEU A 1 2.114 -1.288 -2.012 1.00 64.52 C ATOM 4 O LEU A 1 1.731 -1.379 -3.178 1.00 73.54 O ATOM 5 CB LEU A 1 3.728 0.381 -1.082 1.00 24.32 C ATOM 6 CG LEU A 1 4.233 1.728 -1.600 1.00 12.02 C ATOM 7 CD1 LEU A 1 3.443 2.869 -0.977 1.00 25.12 C ATOM 8 CD2 LEU A 1 5.719 1.887 -1.314 1.00 20.21 C ATOM 0 H1 LEU A 1 1.978 0.751 0.582 1.00 3.44 H new ATOM 0 HA LEU A 1 1.840 0.831 -2.004 1.00 61.20 H new ATOM 0 HB2 LEU A 1 3.906 0.338 -0.008 1.00 24.32 H new ATOM 0 HB3 LEU A 1 4.327 -0.408 -1.537 1.00 24.32 H new ATOM 0 HG LEU A 1 4.087 1.758 -2.680 1.00 12.02 H new ATOM 0 HD11 LEU A 1 3.816 3.820 -1.357 1.00 25.12 H new ATOM 0 HD12 LEU A 1 2.389 2.764 -1.233 1.00 25.12 H new ATOM 0 HD13 LEU A 1 3.557 2.842 0.107 1.00 25.12 H new ATOM 0 HD21 LEU A 1 6.061 2.851 -1.690 1.00 20.21 H new ATOM 0 HD22 LEU A 1 5.890 1.835 -0.239 1.00 20.21 H new ATOM 0 HD23 LEU A 1 6.272 1.088 -1.808 1.00 20.21 H new ATOM 20 N VAL A 2 2.428 -2.345 -1.270 1.00 20.44 N ATOM 21 CA VAL A 2 2.336 -3.703 -1.794 1.00 42.31 C ATOM 22 C VAL A 2 0.897 -4.057 -2.152 1.00 23.42 C ATOM 23 O VAL A 2 0.622 -4.551 -3.245 1.00 24.31 O ATOM 24 CB VAL A 2 2.871 -4.733 -0.782 1.00 32.13 C ATOM 25 CG1 VAL A 2 2.886 -6.125 -1.394 1.00 32.40 C ATOM 26 CG2 VAL A 2 4.259 -4.337 -0.302 1.00 62.43 C ATOM 0 H VAL A 2 2.749 -2.287 -0.303 1.00 20.44 H new ATOM 0 HA VAL A 2 2.950 -3.738 -2.694 1.00 42.31 H new ATOM 0 HB VAL A 2 2.205 -4.749 0.080 1.00 32.13 H new ATOM 0 HG11 VAL A 2 3.267 -6.839 -0.664 1.00 32.40 H new ATOM 0 HG12 VAL A 2 1.873 -6.406 -1.683 1.00 32.40 H new ATOM 0 HG13 VAL A 2 3.528 -6.128 -2.275 1.00 32.40 H new ATOM 0 HG21 VAL A 2 4.621 -5.076 0.413 1.00 62.43 H new ATOM 0 HG22 VAL A 2 4.939 -4.291 -1.153 1.00 62.43 H new ATOM 0 HG23 VAL A 2 4.213 -3.360 0.179 1.00 62.43 H new ATOM 36 N ALA A 3 -0.018 -3.801 -1.223 1.00 21.42 N ATOM 37 CA ALA A 3 -1.430 -4.091 -1.441 1.00 23.21 C ATOM 38 C ALA A 3 -1.996 -3.240 -2.572 1.00 74.23 C ATOM 39 O ALA A 3 -2.918 -3.657 -3.274 1.00 70.41 O ATOM 40 CB ALA A 3 -2.219 -3.864 -0.160 1.00 52.43 C ATOM 0 H ALA A 3 0.193 -3.393 -0.312 1.00 21.42 H new ATOM 0 HA ALA A 3 -1.521 -5.138 -1.729 1.00 23.21 H new ATOM 0 HB1 ALA A 3 -3.272 -4.084 -0.337 1.00 52.43 H new ATOM 0 HB2 ALA A 3 -1.838 -4.520 0.623 1.00 52.43 H new ATOM 0 HB3 ALA A 3 -2.113 -2.825 0.153 1.00 52.43 H new ATOM 46 N TYR A 4 -1.440 -2.046 -2.743 1.00 74.14 N ATOM 47 CA TYR A 4 -1.893 -1.135 -3.788 1.00 40.00 C ATOM 48 C TYR A 4 -1.422 -1.604 -5.161 1.00 43.43 C ATOM 49 O TYR A 4 -2.207 -1.688 -6.104 1.00 51.35 O ATOM 50 CB TYR A 4 -1.381 0.280 -3.516 1.00 42.53 C ATOM 51 CG TYR A 4 -1.660 1.252 -4.641 1.00 64.42 C ATOM 52 CD1 TYR A 4 -2.956 1.666 -4.922 1.00 60.32 C ATOM 53 CD2 TYR A 4 -0.627 1.754 -5.424 1.00 14.45 C ATOM 54 CE1 TYR A 4 -3.216 2.552 -5.949 1.00 42.33 C ATOM 55 CE2 TYR A 4 -0.878 2.642 -6.452 1.00 3.44 C ATOM 56 CZ TYR A 4 -2.173 3.038 -6.711 1.00 14.12 C ATOM 57 OH TYR A 4 -2.427 3.921 -7.735 1.00 10.50 O ATOM 0 H TYR A 4 -0.675 -1.686 -2.172 1.00 74.14 H new ATOM 0 HA TYR A 4 -2.983 -1.127 -3.781 1.00 40.00 H new ATOM 0 HB2 TYR A 4 -1.841 0.654 -2.601 1.00 42.53 H new ATOM 0 HB3 TYR A 4 -0.306 0.241 -3.339 1.00 42.53 H new ATOM 0 HD1 TYR A 4 -3.774 1.288 -4.327 1.00 60.32 H new ATOM 0 HD2 TYR A 4 0.389 1.445 -5.225 1.00 14.45 H new ATOM 0 HE1 TYR A 4 -4.230 2.863 -6.155 1.00 42.33 H new ATOM 0 HE2 TYR A 4 -0.064 3.024 -7.050 1.00 3.44 H new ATOM 0 HH TYR A 4 -1.585 4.167 -8.171 1.00 10.50 H new ATOM 67 N GLY A 5 -0.132 -1.908 -5.265 1.00 24.40 N ATOM 68 CA GLY A 5 0.424 -2.365 -6.525 1.00 74.55 C ATOM 69 C GLY A 5 1.932 -2.226 -6.579 1.00 41.11 C ATOM 70 O GLY A 5 2.605 -2.966 -7.297 1.00 2.00 O ATOM 0 H GLY A 5 0.538 -1.846 -4.499 1.00 24.40 H new ATOM 0 HA2 GLY A 5 0.153 -3.409 -6.680 1.00 74.55 H new ATOM 0 HA3 GLY A 5 -0.019 -1.796 -7.342 1.00 74.55 H new ATOM 74 N ILE A 6 2.464 -1.274 -5.820 1.00 31.13 N ATOM 75 CA ILE A 6 3.902 -1.040 -5.785 1.00 1.03 C ATOM 76 C ILE A 6 4.653 -2.293 -5.347 1.00 74.45 C ATOM 77 O ILE A 6 4.275 -2.948 -4.376 1.00 70.35 O ATOM 78 CB ILE A 6 4.261 0.117 -4.834 1.00 42.41 C ATOM 79 CG1 ILE A 6 3.548 1.400 -5.265 1.00 51.55 C ATOM 80 CG2 ILE A 6 5.768 0.328 -4.801 1.00 74.21 C ATOM 81 CD1 ILE A 6 3.868 1.823 -6.682 1.00 72.54 C ATOM 0 H ILE A 6 1.921 -0.652 -5.221 1.00 31.13 H new ATOM 0 HA ILE A 6 4.203 -0.774 -6.798 1.00 1.03 H new ATOM 0 HB ILE A 6 3.928 -0.142 -3.829 1.00 42.41 H new ATOM 0 HG12 ILE A 6 2.472 1.257 -5.172 1.00 51.55 H new ATOM 0 HG13 ILE A 6 3.823 2.205 -4.583 1.00 51.55 H new ATOM 0 HG21 ILE A 6 6.006 1.149 -4.125 1.00 74.21 H new ATOM 0 HG22 ILE A 6 6.255 -0.582 -4.452 1.00 74.21 H new ATOM 0 HG23 ILE A 6 6.124 0.569 -5.803 1.00 74.21 H new ATOM 0 HD11 ILE A 6 3.328 2.740 -6.919 1.00 72.54 H new ATOM 0 HD12 ILE A 6 4.940 1.999 -6.776 1.00 72.54 H new ATOM 0 HD13 ILE A 6 3.568 1.036 -7.373 1.00 72.54 H new ATOM 93 N ALA A 7 5.719 -2.620 -6.070 1.00 72.43 N ATOM 94 CA ALA A 7 6.525 -3.793 -5.755 1.00 2.00 C ATOM 95 C ALA A 7 6.944 -3.793 -4.289 1.00 33.34 C ATOM 96 O ALA A 7 7.324 -2.758 -3.743 1.00 12.13 O ATOM 97 CB ALA A 7 7.750 -3.849 -6.656 1.00 3.35 C ATOM 0 H ALA A 7 6.044 -2.089 -6.878 1.00 72.43 H new ATOM 0 HA ALA A 7 5.917 -4.680 -5.932 1.00 2.00 H new ATOM 0 HB1 ALA A 7 8.343 -4.730 -6.410 1.00 3.35 H new ATOM 0 HB2 ALA A 7 7.433 -3.904 -7.698 1.00 3.35 H new ATOM 0 HB3 ALA A 7 8.353 -2.953 -6.507 1.00 3.35 H new ATOM 103 N GLN A 8 6.870 -4.961 -3.657 1.00 41.53 N ATOM 104 CA GLN A 8 7.240 -5.094 -2.253 1.00 44.33 C ATOM 105 C GLN A 8 8.739 -4.882 -2.063 1.00 33.20 C ATOM 106 O GLN A 8 9.164 -4.156 -1.166 1.00 3.30 O ATOM 107 CB GLN A 8 6.837 -6.472 -1.726 1.00 52.31 C ATOM 108 CG GLN A 8 7.202 -6.696 -0.268 1.00 20.14 C ATOM 109 CD GLN A 8 7.116 -8.154 0.138 1.00 60.20 C ATOM 110 OE1 GLN A 8 7.297 -9.051 -0.686 1.00 22.42 O ATOM 111 NE2 GLN A 8 6.838 -8.399 1.413 1.00 4.13 N ATOM 0 H GLN A 8 6.557 -5.828 -4.095 1.00 41.53 H new ATOM 0 HA GLN A 8 6.709 -4.328 -1.689 1.00 44.33 H new ATOM 0 HB2 GLN A 8 5.761 -6.597 -1.846 1.00 52.31 H new ATOM 0 HB3 GLN A 8 7.317 -7.239 -2.334 1.00 52.31 H new ATOM 0 HG2 GLN A 8 8.214 -6.333 -0.091 1.00 20.14 H new ATOM 0 HG3 GLN A 8 6.537 -6.107 0.364 1.00 20.14 H new ATOM 0 HE21 GLN A 8 6.695 -7.625 2.062 1.00 4.13 H new ATOM 0 HE22 GLN A 8 6.767 -9.361 1.744 1.00 4.13 H new ATOM 120 N GLY A 9 9.535 -5.523 -2.914 1.00 12.12 N ATOM 121 CA GLY A 9 10.977 -5.392 -2.822 1.00 22.31 C ATOM 122 C GLY A 9 11.432 -3.947 -2.864 1.00 23.01 C ATOM 123 O GLY A 9 12.269 -3.527 -2.063 1.00 71.45 O ATOM 0 H GLY A 9 9.207 -6.130 -3.665 1.00 12.12 H new ATOM 0 HA2 GLY A 9 11.322 -5.851 -1.896 1.00 22.31 H new ATOM 0 HA3 GLY A 9 11.441 -5.940 -3.642 1.00 22.31 H new ATOM 127 N THR A 10 10.882 -3.182 -3.802 1.00 10.24 N ATOM 128 CA THR A 10 11.238 -1.776 -3.947 1.00 61.12 C ATOM 129 C THR A 10 10.577 -0.927 -2.867 1.00 43.25 C ATOM 130 O THR A 10 11.177 0.017 -2.353 1.00 72.13 O ATOM 131 CB THR A 10 10.832 -1.234 -5.331 1.00 23.23 C ATOM 132 OG1 THR A 10 11.496 -1.974 -6.361 1.00 24.51 O ATOM 133 CG2 THR A 10 11.178 0.242 -5.456 1.00 63.15 C ATOM 0 H THR A 10 10.188 -3.513 -4.473 1.00 10.24 H new ATOM 0 HA THR A 10 12.321 -1.712 -3.843 1.00 61.12 H new ATOM 0 HB THR A 10 9.754 -1.349 -5.440 1.00 23.23 H new ATOM 0 HG1 THR A 10 11.231 -1.624 -7.237 1.00 24.51 H new ATOM 0 HG21 THR A 10 10.882 0.603 -6.441 1.00 63.15 H new ATOM 0 HG22 THR A 10 10.648 0.806 -4.689 1.00 63.15 H new ATOM 0 HG23 THR A 10 12.252 0.376 -5.328 1.00 63.15 H new ATOM 141 N ALA A 11 9.339 -1.269 -2.528 1.00 13.42 N ATOM 142 CA ALA A 11 8.598 -0.539 -1.507 1.00 13.33 C ATOM 143 C ALA A 11 9.395 -0.446 -0.210 1.00 43.14 C ATOM 144 O ALA A 11 9.322 0.554 0.503 1.00 31.34 O ATOM 145 CB ALA A 11 7.252 -1.203 -1.255 1.00 24.35 C ATOM 0 H ALA A 11 8.828 -2.047 -2.945 1.00 13.42 H new ATOM 0 HA ALA A 11 8.429 0.474 -1.872 1.00 13.33 H new ATOM 0 HB1 ALA A 11 6.710 -0.647 -0.490 1.00 24.35 H new ATOM 0 HB2 ALA A 11 6.672 -1.211 -2.178 1.00 24.35 H new ATOM 0 HB3 ALA A 11 7.409 -2.227 -0.916 1.00 24.35 H new ATOM 151 N GLU A 12 10.156 -1.495 0.087 1.00 0.34 N ATOM 152 CA GLU A 12 10.966 -1.531 1.300 1.00 51.45 C ATOM 153 C GLU A 12 11.899 -0.325 1.366 1.00 10.12 C ATOM 154 O GLU A 12 11.881 0.436 2.334 1.00 25.33 O ATOM 155 CB GLU A 12 11.781 -2.824 1.357 1.00 62.13 C ATOM 156 CG GLU A 12 12.129 -3.262 2.769 1.00 31.53 C ATOM 157 CD GLU A 12 13.439 -4.023 2.838 1.00 10.14 C ATOM 158 OE1 GLU A 12 14.473 -3.465 2.415 1.00 54.10 O ATOM 159 OE2 GLU A 12 13.430 -5.177 3.317 1.00 51.34 O ATOM 0 H GLU A 12 10.229 -2.330 -0.494 1.00 0.34 H new ATOM 0 HA GLU A 12 10.294 -1.496 2.157 1.00 51.45 H new ATOM 0 HB2 GLU A 12 11.220 -3.619 0.867 1.00 62.13 H new ATOM 0 HB3 GLU A 12 12.702 -2.688 0.790 1.00 62.13 H new ATOM 0 HG2 GLU A 12 12.188 -2.385 3.413 1.00 31.53 H new ATOM 0 HG3 GLU A 12 11.328 -3.890 3.159 1.00 31.53 H new ATOM 166 N LYS A 13 12.714 -0.157 0.330 1.00 30.14 N ATOM 167 CA LYS A 13 13.655 0.955 0.269 1.00 54.33 C ATOM 168 C LYS A 13 12.917 2.286 0.164 1.00 41.33 C ATOM 169 O LYS A 13 13.322 3.281 0.766 1.00 50.04 O ATOM 170 CB LYS A 13 14.598 0.787 -0.925 1.00 13.03 C ATOM 171 CG LYS A 13 15.727 -0.197 -0.673 1.00 44.34 C ATOM 172 CD LYS A 13 15.297 -1.625 -0.960 1.00 32.41 C ATOM 173 CE LYS A 13 16.484 -2.576 -0.959 1.00 60.12 C ATOM 174 NZ LYS A 13 17.421 -2.295 -2.082 1.00 53.52 N ATOM 0 H LYS A 13 12.742 -0.777 -0.479 1.00 30.14 H new ATOM 0 HA LYS A 13 14.240 0.955 1.189 1.00 54.33 H new ATOM 0 HB2 LYS A 13 14.022 0.453 -1.788 1.00 13.03 H new ATOM 0 HB3 LYS A 13 15.023 1.757 -1.181 1.00 13.03 H new ATOM 0 HG2 LYS A 13 16.581 0.060 -1.300 1.00 44.34 H new ATOM 0 HG3 LYS A 13 16.056 -0.117 0.363 1.00 44.34 H new ATOM 0 HD2 LYS A 13 14.572 -1.945 -0.211 1.00 32.41 H new ATOM 0 HD3 LYS A 13 14.796 -1.668 -1.927 1.00 32.41 H new ATOM 0 HE2 LYS A 13 17.017 -2.491 -0.012 1.00 60.12 H new ATOM 0 HE3 LYS A 13 16.127 -3.603 -1.033 1.00 60.12 H new ATOM 0 HZ1 LYS A 13 18.023 -3.127 -2.249 1.00 53.52 H new ATOM 0 HZ2 LYS A 13 16.877 -2.083 -2.943 1.00 53.52 H new ATOM 0 HZ3 LYS A 13 18.018 -1.479 -1.840 1.00 53.52 H new ATOM 188 N VAL A 14 11.832 2.297 -0.604 1.00 13.44 N ATOM 189 CA VAL A 14 11.036 3.506 -0.785 1.00 61.32 C ATOM 190 C VAL A 14 10.622 4.098 0.557 1.00 3.02 C ATOM 191 O VAL A 14 10.586 5.317 0.726 1.00 50.05 O ATOM 192 CB VAL A 14 9.773 3.226 -1.622 1.00 24.24 C ATOM 193 CG1 VAL A 14 8.941 4.490 -1.772 1.00 2.22 C ATOM 194 CG2 VAL A 14 10.151 2.661 -2.983 1.00 12.22 C ATOM 0 H VAL A 14 11.484 1.483 -1.111 1.00 13.44 H new ATOM 0 HA VAL A 14 11.664 4.222 -1.316 1.00 61.32 H new ATOM 0 HB VAL A 14 9.170 2.483 -1.101 1.00 24.24 H new ATOM 0 HG11 VAL A 14 8.053 4.273 -2.366 1.00 2.22 H new ATOM 0 HG12 VAL A 14 8.640 4.847 -0.787 1.00 2.22 H new ATOM 0 HG13 VAL A 14 9.532 5.258 -2.271 1.00 2.22 H new ATOM 0 HG21 VAL A 14 9.247 2.469 -3.561 1.00 12.22 H new ATOM 0 HG22 VAL A 14 10.776 3.379 -3.514 1.00 12.22 H new ATOM 0 HG23 VAL A 14 10.701 1.730 -2.850 1.00 12.22 H new ATOM 204 N VAL A 15 10.311 3.227 1.512 1.00 70.34 N ATOM 205 CA VAL A 15 9.901 3.663 2.841 1.00 11.00 C ATOM 206 C VAL A 15 10.948 4.578 3.466 1.00 31.24 C ATOM 207 O VAL A 15 10.613 5.575 4.106 1.00 44.34 O ATOM 208 CB VAL A 15 9.659 2.463 3.776 1.00 44.01 C ATOM 209 CG1 VAL A 15 9.222 2.938 5.153 1.00 0.40 C ATOM 210 CG2 VAL A 15 8.628 1.520 3.176 1.00 74.11 C ATOM 0 H VAL A 15 10.335 2.215 1.389 1.00 70.34 H new ATOM 0 HA VAL A 15 8.968 4.213 2.720 1.00 11.00 H new ATOM 0 HB VAL A 15 10.596 1.917 3.887 1.00 44.01 H new ATOM 0 HG11 VAL A 15 9.056 2.076 5.799 1.00 0.40 H new ATOM 0 HG12 VAL A 15 9.999 3.570 5.583 1.00 0.40 H new ATOM 0 HG13 VAL A 15 8.298 3.509 5.065 1.00 0.40 H new ATOM 0 HG21 VAL A 15 8.469 0.678 3.850 1.00 74.11 H new ATOM 0 HG22 VAL A 15 7.688 2.052 3.033 1.00 74.11 H new ATOM 0 HG23 VAL A 15 8.987 1.153 2.215 1.00 74.11 H new ATOM 220 N SER A 16 12.217 4.232 3.277 1.00 22.43 N ATOM 221 CA SER A 16 13.314 5.020 3.826 1.00 65.12 C ATOM 222 C SER A 16 13.196 6.482 3.406 1.00 71.11 C ATOM 223 O SER A 16 13.486 7.390 4.186 1.00 23.32 O ATOM 224 CB SER A 16 14.658 4.453 3.365 1.00 63.53 C ATOM 225 OG SER A 16 15.717 4.922 4.181 1.00 22.33 O ATOM 0 H SER A 16 12.511 3.411 2.748 1.00 22.43 H new ATOM 0 HA SER A 16 13.258 4.966 4.913 1.00 65.12 H new ATOM 0 HB2 SER A 16 14.626 3.364 3.396 1.00 63.53 H new ATOM 0 HB3 SER A 16 14.840 4.738 2.329 1.00 63.53 H new ATOM 0 HG SER A 16 16.565 4.544 3.866 1.00 22.33 H new ATOM 231 N LEU A 17 12.767 6.702 2.168 1.00 3.30 N ATOM 232 CA LEU A 17 12.609 8.054 1.642 1.00 24.12 C ATOM 233 C LEU A 17 11.420 8.755 2.291 1.00 61.02 C ATOM 234 O LEU A 17 11.469 9.954 2.565 1.00 15.44 O ATOM 235 CB LEU A 17 12.426 8.014 0.124 1.00 25.51 C ATOM 236 CG LEU A 17 13.707 8.084 -0.708 1.00 41.34 C ATOM 237 CD1 LEU A 17 13.497 7.434 -2.067 1.00 42.21 C ATOM 238 CD2 LEU A 17 14.159 9.528 -0.870 1.00 51.42 C ATOM 0 H LEU A 17 12.522 5.962 1.510 1.00 3.30 H new ATOM 0 HA LEU A 17 13.512 8.617 1.878 1.00 24.12 H new ATOM 0 HB2 LEU A 17 11.898 7.096 -0.134 1.00 25.51 H new ATOM 0 HB3 LEU A 17 11.782 8.844 -0.166 1.00 25.51 H new ATOM 0 HG LEU A 17 14.489 7.536 -0.183 1.00 41.34 H new ATOM 0 HD11 LEU A 17 14.419 7.493 -2.645 1.00 42.21 H new ATOM 0 HD12 LEU A 17 13.220 6.388 -1.931 1.00 42.21 H new ATOM 0 HD13 LEU A 17 12.701 7.954 -2.600 1.00 42.21 H new ATOM 0 HD21 LEU A 17 15.072 9.559 -1.465 1.00 51.42 H new ATOM 0 HD22 LEU A 17 13.379 10.099 -1.373 1.00 51.42 H new ATOM 0 HD23 LEU A 17 14.351 9.962 0.112 1.00 51.42 H new ATOM 250 N ILE A 18 10.355 7.999 2.535 1.00 61.25 N ATOM 251 CA ILE A 18 9.155 8.547 3.154 1.00 41.31 C ATOM 252 C ILE A 18 9.434 9.007 4.581 1.00 71.30 C ATOM 253 O ILE A 18 8.951 10.052 5.013 1.00 52.54 O ATOM 254 CB ILE A 18 8.010 7.517 3.173 1.00 42.33 C ATOM 255 CG1 ILE A 18 7.805 6.925 1.777 1.00 21.30 C ATOM 256 CG2 ILE A 18 6.727 8.161 3.675 1.00 55.34 C ATOM 257 CD1 ILE A 18 6.713 5.880 1.719 1.00 61.33 C ATOM 0 H ILE A 18 10.299 7.005 2.313 1.00 61.25 H new ATOM 0 HA ILE A 18 8.852 9.403 2.551 1.00 41.31 H new ATOM 0 HB ILE A 18 8.278 6.709 3.854 1.00 42.33 H new ATOM 0 HG12 ILE A 18 7.565 7.729 1.082 1.00 21.30 H new ATOM 0 HG13 ILE A 18 8.741 6.480 1.439 1.00 21.30 H new ATOM 0 HG21 ILE A 18 5.927 7.421 3.683 1.00 55.34 H new ATOM 0 HG22 ILE A 18 6.881 8.539 4.686 1.00 55.34 H new ATOM 0 HG23 ILE A 18 6.452 8.985 3.017 1.00 55.34 H new ATOM 0 HD11 ILE A 18 6.623 5.504 0.700 1.00 61.33 H new ATOM 0 HD12 ILE A 18 6.961 5.057 2.389 1.00 61.33 H new ATOM 0 HD13 ILE A 18 5.767 6.325 2.026 1.00 61.33 H new ATOM 269 N ASN A 19 10.218 8.218 5.308 1.00 25.11 N ATOM 270 CA ASN A 19 10.563 8.544 6.687 1.00 4.31 C ATOM 271 C ASN A 19 11.254 9.902 6.768 1.00 3.21 C ATOM 272 O ASN A 19 11.215 10.569 7.801 1.00 0.25 O ATOM 273 CB ASN A 19 11.470 7.462 7.278 1.00 53.32 C ATOM 274 CG ASN A 19 11.570 7.553 8.788 1.00 10.52 C ATOM 275 OD1 ASN A 19 12.148 8.497 9.327 1.00 1.33 O ATOM 276 ND2 ASN A 19 11.006 6.570 9.479 1.00 72.51 N ATOM 0 H ASN A 19 10.626 7.348 4.965 1.00 25.11 H new ATOM 0 HA ASN A 19 9.640 8.590 7.265 1.00 4.31 H new ATOM 0 HB2 ASN A 19 11.088 6.480 7.000 1.00 53.32 H new ATOM 0 HB3 ASN A 19 12.466 7.550 6.845 1.00 53.32 H new ATOM 0 HD21 ASN A 19 11.041 6.578 10.498 1.00 72.51 H new ATOM 0 HD22 ASN A 19 10.537 5.807 8.991 1.00 72.51 H new ATOM 283 N ALA A 20 11.886 10.305 5.670 1.00 21.15 N ATOM 284 CA ALA A 20 12.583 11.584 5.616 1.00 23.21 C ATOM 285 C ALA A 20 11.607 12.747 5.754 1.00 4.43 C ATOM 286 O ALA A 20 12.000 13.862 6.097 1.00 34.24 O ATOM 287 CB ALA A 20 13.368 11.702 4.318 1.00 4.22 C ATOM 0 H ALA A 20 11.929 9.764 4.806 1.00 21.15 H new ATOM 0 HA ALA A 20 13.279 11.627 6.454 1.00 23.21 H new ATOM 0 HB1 ALA A 20 13.884 12.662 4.291 1.00 4.22 H new ATOM 0 HB2 ALA A 20 14.099 10.896 4.260 1.00 4.22 H new ATOM 0 HB3 ALA A 20 12.684 11.633 3.472 1.00 4.22 H new ATOM 293 N GLY A 21 10.333 12.481 5.484 1.00 62.42 N ATOM 294 CA GLY A 21 9.321 13.516 5.583 1.00 42.11 C ATOM 295 C GLY A 21 9.174 14.307 4.298 1.00 13.45 C ATOM 296 O GLY A 21 8.564 15.377 4.286 1.00 12.52 O ATOM 0 H GLY A 21 9.983 11.566 5.198 1.00 62.42 H new ATOM 0 HA2 GLY A 21 8.364 13.061 5.838 1.00 42.11 H new ATOM 0 HA3 GLY A 21 9.578 14.195 6.397 1.00 42.11 H new ATOM 300 N LEU A 22 9.734 13.782 3.215 1.00 42.55 N ATOM 301 CA LEU A 22 9.664 14.448 1.918 1.00 32.12 C ATOM 302 C LEU A 22 8.274 14.303 1.307 1.00 50.14 C ATOM 303 O LEU A 22 7.542 13.362 1.615 1.00 24.32 O ATOM 304 CB LEU A 22 10.714 13.870 0.968 1.00 22.33 C ATOM 305 CG LEU A 22 12.082 14.554 0.983 1.00 34.12 C ATOM 306 CD1 LEU A 22 11.994 15.935 0.353 1.00 43.04 C ATOM 307 CD2 LEU A 22 12.616 14.648 2.405 1.00 33.40 C ATOM 0 H LEU A 22 10.242 12.897 3.208 1.00 42.55 H new ATOM 0 HA LEU A 22 9.866 15.508 2.070 1.00 32.12 H new ATOM 0 HB2 LEU A 22 10.854 12.817 1.211 1.00 22.33 H new ATOM 0 HB3 LEU A 22 10.320 13.913 -0.047 1.00 22.33 H new ATOM 0 HG LEU A 22 12.775 13.952 0.395 1.00 34.12 H new ATOM 0 HD11 LEU A 22 12.976 16.407 0.372 1.00 43.04 H new ATOM 0 HD12 LEU A 22 11.656 15.843 -0.679 1.00 43.04 H new ATOM 0 HD13 LEU A 22 11.287 16.546 0.914 1.00 43.04 H new ATOM 0 HD21 LEU A 22 13.590 15.137 2.396 1.00 33.40 H new ATOM 0 HD22 LEU A 22 11.924 15.228 3.016 1.00 33.40 H new ATOM 0 HD23 LEU A 22 12.717 13.646 2.823 1.00 33.40 H new ATOM 319 N THR A 23 7.916 15.241 0.435 1.00 14.23 N ATOM 320 CA THR A 23 6.615 15.218 -0.221 1.00 35.11 C ATOM 321 C THR A 23 6.635 14.318 -1.451 1.00 43.43 C ATOM 322 O THR A 23 7.699 14.009 -1.988 1.00 72.55 O ATOM 323 CB THR A 23 6.172 16.632 -0.640 1.00 55.34 C ATOM 324 OG1 THR A 23 7.247 17.305 -1.305 1.00 14.41 O ATOM 325 CG2 THR A 23 5.730 17.442 0.569 1.00 10.13 C ATOM 0 H THR A 23 8.509 16.026 0.167 1.00 14.23 H new ATOM 0 HA THR A 23 5.903 14.822 0.503 1.00 35.11 H new ATOM 0 HB THR A 23 5.327 16.537 -1.321 1.00 55.34 H new ATOM 0 HG1 THR A 23 6.957 18.203 -1.570 1.00 14.41 H new ATOM 0 HG21 THR A 23 5.422 18.437 0.248 1.00 10.13 H new ATOM 0 HG22 THR A 23 4.892 16.942 1.055 1.00 10.13 H new ATOM 0 HG23 THR A 23 6.559 17.528 1.272 1.00 10.13 H new ATOM 333 N VAL A 24 5.453 13.902 -1.894 1.00 62.13 N ATOM 334 CA VAL A 24 5.336 13.039 -3.064 1.00 33.24 C ATOM 335 C VAL A 24 6.103 13.613 -4.249 1.00 70.45 C ATOM 336 O VAL A 24 6.595 12.873 -5.101 1.00 30.15 O ATOM 337 CB VAL A 24 3.863 12.838 -3.467 1.00 50.35 C ATOM 338 CG1 VAL A 24 3.262 14.145 -3.961 1.00 52.51 C ATOM 339 CG2 VAL A 24 3.745 11.754 -4.527 1.00 74.35 C ATOM 0 H VAL A 24 4.563 14.148 -1.461 1.00 62.13 H new ATOM 0 HA VAL A 24 5.765 12.075 -2.791 1.00 33.24 H new ATOM 0 HB VAL A 24 3.304 12.518 -2.588 1.00 50.35 H new ATOM 0 HG11 VAL A 24 2.221 13.984 -4.241 1.00 52.51 H new ATOM 0 HG12 VAL A 24 3.313 14.891 -3.168 1.00 52.51 H new ATOM 0 HG13 VAL A 24 3.821 14.498 -4.828 1.00 52.51 H new ATOM 0 HG21 VAL A 24 2.698 11.625 -4.800 1.00 74.35 H new ATOM 0 HG22 VAL A 24 4.317 12.043 -5.409 1.00 74.35 H new ATOM 0 HG23 VAL A 24 4.136 10.816 -4.133 1.00 74.35 H new ATOM 349 N GLY A 25 6.202 14.938 -4.299 1.00 34.34 N ATOM 350 CA GLY A 25 6.911 15.589 -5.384 1.00 51.02 C ATOM 351 C GLY A 25 8.315 15.048 -5.567 1.00 30.34 C ATOM 352 O GLY A 25 8.716 14.707 -6.679 1.00 64.32 O ATOM 0 H GLY A 25 5.803 15.572 -3.607 1.00 34.34 H new ATOM 0 HA2 GLY A 25 6.351 15.458 -6.310 1.00 51.02 H new ATOM 0 HA3 GLY A 25 6.960 16.661 -5.190 1.00 51.02 H new ATOM 356 N SER A 26 9.064 14.970 -4.472 1.00 5.03 N ATOM 357 CA SER A 26 10.434 14.472 -4.517 1.00 21.43 C ATOM 358 C SER A 26 10.457 12.969 -4.781 1.00 0.14 C ATOM 359 O SER A 26 11.400 12.447 -5.377 1.00 13.05 O ATOM 360 CB SER A 26 11.155 14.781 -3.203 1.00 44.35 C ATOM 361 OG SER A 26 11.057 13.695 -2.299 1.00 61.31 O ATOM 0 H SER A 26 8.746 15.245 -3.543 1.00 5.03 H new ATOM 0 HA SER A 26 10.951 14.975 -5.334 1.00 21.43 H new ATOM 0 HB2 SER A 26 12.204 14.998 -3.403 1.00 44.35 H new ATOM 0 HB3 SER A 26 10.725 15.675 -2.750 1.00 44.35 H new ATOM 0 HG SER A 26 11.764 13.767 -1.624 1.00 61.31 H new ATOM 367 N ILE A 27 9.413 12.280 -4.333 1.00 11.25 N ATOM 368 CA ILE A 27 9.312 10.838 -4.521 1.00 0.33 C ATOM 369 C ILE A 27 9.307 10.476 -6.002 1.00 51.30 C ATOM 370 O ILE A 27 10.053 9.600 -6.440 1.00 3.13 O ATOM 371 CB ILE A 27 8.041 10.272 -3.861 1.00 12.00 C ATOM 372 CG1 ILE A 27 7.976 10.686 -2.389 1.00 60.14 C ATOM 373 CG2 ILE A 27 8.006 8.757 -3.993 1.00 33.22 C ATOM 374 CD1 ILE A 27 9.087 10.099 -1.547 1.00 44.53 C ATOM 0 H ILE A 27 8.625 12.697 -3.837 1.00 11.25 H new ATOM 0 HA ILE A 27 10.187 10.395 -4.044 1.00 0.33 H new ATOM 0 HB ILE A 27 7.170 10.682 -4.373 1.00 12.00 H new ATOM 0 HG12 ILE A 27 8.017 11.773 -2.324 1.00 60.14 H new ATOM 0 HG13 ILE A 27 7.016 10.378 -1.975 1.00 60.14 H new ATOM 0 HG21 ILE A 27 7.102 8.372 -3.522 1.00 33.22 H new ATOM 0 HG22 ILE A 27 8.010 8.484 -5.048 1.00 33.22 H new ATOM 0 HG23 ILE A 27 8.881 8.329 -3.504 1.00 33.22 H new ATOM 0 HD11 ILE A 27 8.978 10.435 -0.516 1.00 44.53 H new ATOM 0 HD12 ILE A 27 9.034 9.011 -1.582 1.00 44.53 H new ATOM 0 HD13 ILE A 27 10.051 10.428 -1.936 1.00 44.53 H new ATOM 386 N ILE A 28 8.462 11.157 -6.769 1.00 3.41 N ATOM 387 CA ILE A 28 8.362 10.910 -8.202 1.00 25.52 C ATOM 388 C ILE A 28 9.721 11.051 -8.880 1.00 52.32 C ATOM 389 O ILE A 28 10.016 10.357 -9.853 1.00 12.10 O ATOM 390 CB ILE A 28 7.364 11.872 -8.871 1.00 72.04 C ATOM 391 CG1 ILE A 28 5.976 11.718 -8.246 1.00 0.11 C ATOM 392 CG2 ILE A 28 7.306 11.617 -10.370 1.00 45.22 C ATOM 393 CD1 ILE A 28 4.969 12.726 -8.754 1.00 2.44 C ATOM 0 H ILE A 28 7.837 11.884 -6.422 1.00 3.41 H new ATOM 0 HA ILE A 28 8.003 9.888 -8.322 1.00 25.52 H new ATOM 0 HB ILE A 28 7.704 12.895 -8.708 1.00 72.04 H new ATOM 0 HG12 ILE A 28 5.605 10.713 -8.448 1.00 0.11 H new ATOM 0 HG13 ILE A 28 6.061 11.815 -7.164 1.00 0.11 H new ATOM 0 HG21 ILE A 28 6.596 12.305 -10.829 1.00 45.22 H new ATOM 0 HG22 ILE A 28 8.294 11.772 -10.804 1.00 45.22 H new ATOM 0 HG23 ILE A 28 6.987 10.591 -10.552 1.00 45.22 H new ATOM 0 HD11 ILE A 28 4.008 12.557 -8.268 1.00 2.44 H new ATOM 0 HD12 ILE A 28 5.318 13.734 -8.529 1.00 2.44 H new ATOM 0 HD13 ILE A 28 4.855 12.614 -9.832 1.00 2.44 H new ATOM 405 N SER A 29 10.545 11.954 -8.359 1.00 1.32 N ATOM 406 CA SER A 29 11.872 12.189 -8.915 1.00 65.02 C ATOM 407 C SER A 29 12.714 10.917 -8.868 1.00 0.33 C ATOM 408 O SER A 29 13.292 10.505 -9.874 1.00 22.24 O ATOM 409 CB SER A 29 12.578 13.310 -8.150 1.00 44.11 C ATOM 410 OG SER A 29 13.664 13.832 -8.897 1.00 30.14 O ATOM 0 H SER A 29 10.317 12.535 -7.552 1.00 1.32 H new ATOM 0 HA SER A 29 11.754 12.488 -9.957 1.00 65.02 H new ATOM 0 HB2 SER A 29 11.868 14.107 -7.929 1.00 44.11 H new ATOM 0 HB3 SER A 29 12.939 12.931 -7.194 1.00 44.11 H new ATOM 0 HG SER A 29 14.098 14.548 -8.387 1.00 30.14 H new ATOM 416 N ILE A 30 12.777 10.301 -7.692 1.00 44.02 N ATOM 417 CA ILE A 30 13.547 9.076 -7.513 1.00 52.10 C ATOM 418 C ILE A 30 12.800 7.871 -8.074 1.00 60.21 C ATOM 419 O ILE A 30 13.409 6.864 -8.439 1.00 33.24 O ATOM 420 CB ILE A 30 13.864 8.823 -6.027 1.00 64.04 C ATOM 421 CG1 ILE A 30 14.611 10.019 -5.432 1.00 71.41 C ATOM 422 CG2 ILE A 30 14.682 7.550 -5.870 1.00 72.50 C ATOM 423 CD1 ILE A 30 13.735 10.920 -4.590 1.00 72.42 C ATOM 0 H ILE A 30 12.305 10.630 -6.850 1.00 44.02 H new ATOM 0 HA ILE A 30 14.482 9.208 -8.058 1.00 52.10 H new ATOM 0 HB ILE A 30 12.926 8.698 -5.486 1.00 64.04 H new ATOM 0 HG12 ILE A 30 15.437 9.654 -4.821 1.00 71.41 H new ATOM 0 HG13 ILE A 30 15.048 10.604 -6.242 1.00 71.41 H new ATOM 0 HG21 ILE A 30 14.898 7.384 -4.815 1.00 72.50 H new ATOM 0 HG22 ILE A 30 14.117 6.704 -6.262 1.00 72.50 H new ATOM 0 HG23 ILE A 30 15.617 7.648 -6.421 1.00 72.50 H new ATOM 0 HD11 ILE A 30 14.330 11.746 -4.201 1.00 72.42 H new ATOM 0 HD12 ILE A 30 12.924 11.314 -5.202 1.00 72.42 H new ATOM 0 HD13 ILE A 30 13.319 10.350 -3.759 1.00 72.42 H new ATOM 435 N LEU A 31 11.478 7.980 -8.143 1.00 11.54 N ATOM 436 CA LEU A 31 10.646 6.900 -8.662 1.00 4.03 C ATOM 437 C LEU A 31 11.018 6.572 -10.104 1.00 62.41 C ATOM 438 O LEU A 31 10.840 5.443 -10.560 1.00 44.02 O ATOM 439 CB LEU A 31 9.168 7.283 -8.579 1.00 12.13 C ATOM 440 CG LEU A 31 8.205 6.162 -8.184 1.00 3.54 C ATOM 441 CD1 LEU A 31 8.572 5.600 -6.819 1.00 40.30 C ATOM 442 CD2 LEU A 31 6.770 6.667 -8.186 1.00 74.14 C ATOM 0 H LEU A 31 10.959 8.806 -7.846 1.00 11.54 H new ATOM 0 HA LEU A 31 10.820 6.014 -8.051 1.00 4.03 H new ATOM 0 HB2 LEU A 31 9.064 8.095 -7.859 1.00 12.13 H new ATOM 0 HB3 LEU A 31 8.860 7.675 -9.548 1.00 12.13 H new ATOM 0 HG LEU A 31 8.288 5.361 -8.919 1.00 3.54 H new ATOM 0 HD11 LEU A 31 7.876 4.804 -6.554 1.00 40.30 H new ATOM 0 HD12 LEU A 31 9.586 5.201 -6.851 1.00 40.30 H new ATOM 0 HD13 LEU A 31 8.517 6.392 -6.073 1.00 40.30 H new ATOM 0 HD21 LEU A 31 6.099 5.856 -7.903 1.00 74.14 H new ATOM 0 HD22 LEU A 31 6.671 7.486 -7.473 1.00 74.14 H new ATOM 0 HD23 LEU A 31 6.510 7.021 -9.184 1.00 74.14 H new ATOM 454 N GLY A 32 11.538 7.566 -10.817 1.00 51.42 N ATOM 455 CA GLY A 32 11.929 7.362 -12.200 1.00 11.52 C ATOM 456 C GLY A 32 11.329 8.398 -13.131 1.00 20.44 C ATOM 457 O GLY A 32 11.980 8.848 -14.072 1.00 64.32 O ATOM 0 H GLY A 32 11.696 8.509 -10.462 1.00 51.42 H new ATOM 0 HA2 GLY A 32 13.016 7.396 -12.276 1.00 11.52 H new ATOM 0 HA3 GLY A 32 11.618 6.367 -12.519 1.00 11.52 H new ATOM 461 N GLY A 33 10.082 8.776 -12.868 1.00 34.31 N ATOM 462 CA GLY A 33 9.414 9.760 -13.699 1.00 40.14 C ATOM 463 C GLY A 33 8.130 9.231 -14.306 1.00 54.22 C ATOM 464 O GLY A 33 7.894 8.023 -14.325 1.00 25.04 O ATOM 0 H GLY A 33 9.522 8.418 -12.094 1.00 34.31 H new ATOM 0 HA2 GLY A 33 9.192 10.645 -13.102 1.00 40.14 H new ATOM 0 HA3 GLY A 33 10.087 10.074 -14.497 1.00 40.14 H new ATOM 468 N VAL A 34 7.294 10.138 -14.803 1.00 44.11 N ATOM 469 CA VAL A 34 6.026 9.757 -15.413 1.00 62.40 C ATOM 470 C VAL A 34 5.220 8.855 -14.486 1.00 33.44 C ATOM 471 O VAL A 34 4.411 8.043 -14.938 1.00 1.30 O ATOM 472 CB VAL A 34 6.244 9.032 -16.754 1.00 62.44 C ATOM 473 CG1 VAL A 34 4.962 9.026 -17.573 1.00 42.21 C ATOM 474 CG2 VAL A 34 7.380 9.680 -17.531 1.00 70.15 C ATOM 0 H VAL A 34 7.473 11.142 -14.795 1.00 44.11 H new ATOM 0 HA VAL A 34 5.471 10.678 -15.592 1.00 62.40 H new ATOM 0 HB VAL A 34 6.519 7.998 -16.547 1.00 62.44 H new ATOM 0 HG11 VAL A 34 5.136 8.509 -18.517 1.00 42.21 H new ATOM 0 HG12 VAL A 34 4.178 8.512 -17.017 1.00 42.21 H new ATOM 0 HG13 VAL A 34 4.653 10.052 -17.772 1.00 42.21 H new ATOM 0 HG21 VAL A 34 7.520 9.155 -18.476 1.00 70.15 H new ATOM 0 HG22 VAL A 34 7.137 10.724 -17.728 1.00 70.15 H new ATOM 0 HG23 VAL A 34 8.298 9.626 -16.946 1.00 70.15 H new ATOM 484 N THR A 35 5.444 9.001 -13.183 1.00 44.45 N ATOM 485 CA THR A 35 4.740 8.200 -12.191 1.00 75.11 C ATOM 486 C THR A 35 3.432 8.865 -11.775 1.00 63.32 C ATOM 487 O THR A 35 2.787 8.442 -10.816 1.00 32.01 O ATOM 488 CB THR A 35 5.605 7.968 -10.939 1.00 24.35 C ATOM 489 OG1 THR A 35 5.736 9.188 -10.200 1.00 63.34 O ATOM 490 CG2 THR A 35 6.984 7.451 -11.322 1.00 32.42 C ATOM 0 H THR A 35 6.109 9.668 -12.791 1.00 44.45 H new ATOM 0 HA THR A 35 4.524 7.239 -12.657 1.00 75.11 H new ATOM 0 HB THR A 35 5.113 7.219 -10.319 1.00 24.35 H new ATOM 0 HG1 THR A 35 6.444 9.090 -9.529 1.00 63.34 H new ATOM 0 HG21 THR A 35 7.577 7.295 -10.421 1.00 32.42 H new ATOM 0 HG22 THR A 35 6.883 6.507 -11.858 1.00 32.42 H new ATOM 0 HG23 THR A 35 7.481 8.180 -11.962 1.00 32.42 H new ATOM 498 N VAL A 36 3.046 9.908 -12.503 1.00 63.33 N ATOM 499 CA VAL A 36 1.814 10.630 -12.211 1.00 2.32 C ATOM 500 C VAL A 36 0.632 9.675 -12.094 1.00 13.35 C ATOM 501 O VAL A 36 0.096 9.207 -13.097 1.00 42.44 O ATOM 502 CB VAL A 36 1.507 11.679 -13.296 1.00 44.03 C ATOM 503 CG1 VAL A 36 0.236 12.442 -12.958 1.00 11.15 C ATOM 504 CG2 VAL A 36 2.682 12.631 -13.464 1.00 11.23 C ATOM 0 H VAL A 36 3.569 10.272 -13.300 1.00 63.33 H new ATOM 0 HA VAL A 36 1.963 11.137 -11.258 1.00 2.32 H new ATOM 0 HB VAL A 36 1.350 11.162 -14.242 1.00 44.03 H new ATOM 0 HG11 VAL A 36 0.036 13.178 -13.736 1.00 11.15 H new ATOM 0 HG12 VAL A 36 -0.600 11.746 -12.894 1.00 11.15 H new ATOM 0 HG13 VAL A 36 0.360 12.950 -12.001 1.00 11.15 H new ATOM 0 HG21 VAL A 36 2.448 13.366 -14.235 1.00 11.23 H new ATOM 0 HG22 VAL A 36 2.873 13.143 -12.521 1.00 11.23 H new ATOM 0 HG23 VAL A 36 3.568 12.067 -13.757 1.00 11.23 H new ATOM 514 N GLY A 37 0.228 9.390 -10.859 1.00 42.10 N ATOM 515 CA GLY A 37 -0.889 8.492 -10.633 1.00 11.24 C ATOM 516 C GLY A 37 -0.935 7.971 -9.210 1.00 63.51 C ATOM 517 O GLY A 37 -1.889 8.230 -8.476 1.00 73.40 O ATOM 0 H GLY A 37 0.655 9.765 -10.012 1.00 42.10 H new ATOM 0 HA2 GLY A 37 -1.820 9.012 -10.857 1.00 11.24 H new ATOM 0 HA3 GLY A 37 -0.820 7.651 -11.323 1.00 11.24 H new ATOM 521 N LEU A 38 0.098 7.232 -8.819 1.00 41.13 N ATOM 522 CA LEU A 38 0.172 6.671 -7.475 1.00 31.41 C ATOM 523 C LEU A 38 0.317 7.774 -6.431 1.00 74.52 C ATOM 524 O LEU A 38 0.142 7.538 -5.236 1.00 34.42 O ATOM 525 CB LEU A 38 1.348 5.697 -7.371 1.00 55.32 C ATOM 526 CG LEU A 38 2.718 6.325 -7.117 1.00 3.24 C ATOM 527 CD1 LEU A 38 2.989 6.428 -5.624 1.00 24.23 C ATOM 528 CD2 LEU A 38 3.810 5.519 -7.805 1.00 3.14 C ATOM 0 H LEU A 38 0.896 7.008 -9.414 1.00 41.13 H new ATOM 0 HA LEU A 38 -0.756 6.133 -7.282 1.00 31.41 H new ATOM 0 HB2 LEU A 38 1.139 4.991 -6.567 1.00 55.32 H new ATOM 0 HB3 LEU A 38 1.400 5.121 -8.295 1.00 55.32 H new ATOM 0 HG LEU A 38 2.719 7.331 -7.536 1.00 3.24 H new ATOM 0 HD11 LEU A 38 3.969 6.877 -5.462 1.00 24.23 H new ATOM 0 HD12 LEU A 38 2.224 7.048 -5.157 1.00 24.23 H new ATOM 0 HD13 LEU A 38 2.969 5.432 -5.181 1.00 24.23 H new ATOM 0 HD21 LEU A 38 4.779 5.981 -7.613 1.00 3.14 H new ATOM 0 HD22 LEU A 38 3.810 4.501 -7.416 1.00 3.14 H new ATOM 0 HD23 LEU A 38 3.624 5.497 -8.879 1.00 3.14 H new ATOM 540 N SER A 39 0.635 8.979 -6.892 1.00 20.01 N ATOM 541 CA SER A 39 0.805 10.119 -5.998 1.00 74.41 C ATOM 542 C SER A 39 -0.406 10.276 -5.083 1.00 51.32 C ATOM 543 O SER A 39 -0.266 10.442 -3.872 1.00 42.43 O ATOM 544 CB SER A 39 1.018 11.400 -6.806 1.00 52.11 C ATOM 545 OG SER A 39 -0.071 11.638 -7.681 1.00 51.42 O ATOM 0 H SER A 39 0.780 9.192 -7.879 1.00 20.01 H new ATOM 0 HA SER A 39 1.685 9.938 -5.380 1.00 74.41 H new ATOM 0 HB2 SER A 39 1.136 12.246 -6.128 1.00 52.11 H new ATOM 0 HB3 SER A 39 1.940 11.322 -7.381 1.00 52.11 H new ATOM 0 HG SER A 39 0.088 12.463 -8.185 1.00 51.42 H new ATOM 551 N GLY A 40 -1.597 10.223 -5.673 1.00 23.02 N ATOM 552 CA GLY A 40 -2.815 10.362 -4.897 1.00 74.42 C ATOM 553 C GLY A 40 -2.932 9.314 -3.808 1.00 3.02 C ATOM 554 O GLY A 40 -3.677 9.490 -2.844 1.00 53.01 O ATOM 0 H GLY A 40 -1.739 10.086 -6.674 1.00 23.02 H new ATOM 0 HA2 GLY A 40 -2.844 11.354 -4.447 1.00 74.42 H new ATOM 0 HA3 GLY A 40 -3.676 10.288 -5.562 1.00 74.42 H new ATOM 558 N VAL A 41 -2.194 8.219 -3.961 1.00 4.14 N ATOM 559 CA VAL A 41 -2.217 7.138 -2.982 1.00 54.42 C ATOM 560 C VAL A 41 -1.087 7.289 -1.970 1.00 35.42 C ATOM 561 O VAL A 41 -1.255 6.989 -0.787 1.00 61.04 O ATOM 562 CB VAL A 41 -2.102 5.762 -3.663 1.00 60.24 C ATOM 563 CG1 VAL A 41 -2.098 4.651 -2.625 1.00 24.52 C ATOM 564 CG2 VAL A 41 -3.233 5.565 -4.662 1.00 1.43 C ATOM 0 H VAL A 41 -1.573 8.057 -4.754 1.00 4.14 H new ATOM 0 HA VAL A 41 -3.174 7.200 -2.464 1.00 54.42 H new ATOM 0 HB VAL A 41 -1.158 5.723 -4.206 1.00 60.24 H new ATOM 0 HG11 VAL A 41 -2.016 3.686 -3.125 1.00 24.52 H new ATOM 0 HG12 VAL A 41 -1.250 4.784 -1.953 1.00 24.52 H new ATOM 0 HG13 VAL A 41 -3.025 4.685 -2.052 1.00 24.52 H new ATOM 0 HG21 VAL A 41 -3.136 4.587 -5.134 1.00 1.43 H new ATOM 0 HG22 VAL A 41 -4.190 5.624 -4.144 1.00 1.43 H new ATOM 0 HG23 VAL A 41 -3.184 6.342 -5.425 1.00 1.43 H new ATOM 574 N PHE A 42 0.064 7.755 -2.441 1.00 50.05 N ATOM 575 CA PHE A 42 1.223 7.945 -1.577 1.00 42.04 C ATOM 576 C PHE A 42 0.867 8.811 -0.372 1.00 64.14 C ATOM 577 O PHE A 42 1.181 8.468 0.768 1.00 33.11 O ATOM 578 CB PHE A 42 2.370 8.588 -2.361 1.00 32.33 C ATOM 579 CG PHE A 42 3.729 8.111 -1.934 1.00 14.24 C ATOM 580 CD1 PHE A 42 4.208 6.879 -2.350 1.00 12.54 C ATOM 581 CD2 PHE A 42 4.527 8.895 -1.116 1.00 33.23 C ATOM 582 CE1 PHE A 42 5.458 6.438 -1.959 1.00 11.03 C ATOM 583 CE2 PHE A 42 5.778 8.459 -0.722 1.00 33.20 C ATOM 584 CZ PHE A 42 6.243 7.228 -1.143 1.00 4.51 C ATOM 0 H PHE A 42 0.219 8.008 -3.417 1.00 50.05 H new ATOM 0 HA PHE A 42 1.541 6.967 -1.217 1.00 42.04 H new ATOM 0 HB2 PHE A 42 2.237 8.378 -3.422 1.00 32.33 H new ATOM 0 HB3 PHE A 42 2.319 9.670 -2.242 1.00 32.33 H new ATOM 0 HD1 PHE A 42 3.597 6.256 -2.987 1.00 12.54 H new ATOM 0 HD2 PHE A 42 4.167 9.857 -0.783 1.00 33.23 H new ATOM 0 HE1 PHE A 42 5.820 5.476 -2.291 1.00 11.03 H new ATOM 0 HE2 PHE A 42 6.391 9.080 -0.086 1.00 33.20 H new ATOM 0 HZ PHE A 42 7.219 6.884 -0.834 1.00 4.51 H new ATOM 594 N THR A 43 0.210 9.937 -0.634 1.00 24.14 N ATOM 595 CA THR A 43 -0.187 10.853 0.427 1.00 10.55 C ATOM 596 C THR A 43 -1.007 10.137 1.494 1.00 13.32 C ATOM 597 O THR A 43 -0.762 10.296 2.690 1.00 55.34 O ATOM 598 CB THR A 43 -1.006 12.034 -0.128 1.00 34.15 C ATOM 599 OG1 THR A 43 -0.496 12.426 -1.407 1.00 0.14 O ATOM 600 CG2 THR A 43 -0.963 13.218 0.826 1.00 15.32 C ATOM 0 H THR A 43 -0.058 10.236 -1.572 1.00 24.14 H new ATOM 0 HA THR A 43 0.731 11.235 0.874 1.00 10.55 H new ATOM 0 HB THR A 43 -2.042 11.711 -0.234 1.00 34.15 H new ATOM 0 HG1 THR A 43 -1.023 13.176 -1.754 1.00 0.14 H new ATOM 0 HG21 THR A 43 -1.548 14.040 0.413 1.00 15.32 H new ATOM 0 HG22 THR A 43 -1.380 12.924 1.789 1.00 15.32 H new ATOM 0 HG23 THR A 43 0.070 13.540 0.960 1.00 15.32 H new ATOM 608 N ALA A 44 -1.981 9.348 1.054 1.00 74.41 N ATOM 609 CA ALA A 44 -2.836 8.605 1.972 1.00 70.55 C ATOM 610 C ALA A 44 -2.022 7.620 2.805 1.00 51.42 C ATOM 611 O ALA A 44 -2.344 7.358 3.964 1.00 45.51 O ATOM 612 CB ALA A 44 -3.926 7.873 1.202 1.00 22.32 C ATOM 0 H ALA A 44 -2.198 9.207 0.067 1.00 74.41 H new ATOM 0 HA ALA A 44 -3.302 9.317 2.652 1.00 70.55 H new ATOM 0 HB1 ALA A 44 -4.557 7.322 1.900 1.00 22.32 H new ATOM 0 HB2 ALA A 44 -4.533 8.595 0.656 1.00 22.32 H new ATOM 0 HB3 ALA A 44 -3.470 7.177 0.498 1.00 22.32 H new ATOM 618 N VAL A 45 -0.967 7.077 2.207 1.00 44.13 N ATOM 619 CA VAL A 45 -0.106 6.122 2.894 1.00 31.41 C ATOM 620 C VAL A 45 0.700 6.801 3.995 1.00 1.31 C ATOM 621 O VAL A 45 0.760 6.317 5.125 1.00 2.05 O ATOM 622 CB VAL A 45 0.862 5.433 1.914 1.00 24.35 C ATOM 623 CG1 VAL A 45 1.749 4.440 2.650 1.00 64.40 C ATOM 624 CG2 VAL A 45 0.091 4.746 0.798 1.00 71.32 C ATOM 0 H VAL A 45 -0.688 7.282 1.248 1.00 44.13 H new ATOM 0 HA VAL A 45 -0.759 5.370 3.337 1.00 31.41 H new ATOM 0 HB VAL A 45 1.502 6.194 1.467 1.00 24.35 H new ATOM 0 HG11 VAL A 45 2.426 3.963 1.942 1.00 64.40 H new ATOM 0 HG12 VAL A 45 2.329 4.964 3.410 1.00 64.40 H new ATOM 0 HG13 VAL A 45 1.128 3.681 3.126 1.00 64.40 H new ATOM 0 HG21 VAL A 45 0.791 4.265 0.115 1.00 71.32 H new ATOM 0 HG22 VAL A 45 -0.575 3.995 1.224 1.00 71.32 H new ATOM 0 HG23 VAL A 45 -0.497 5.485 0.254 1.00 71.32 H new ATOM 634 N LYS A 46 1.319 7.928 3.658 1.00 63.40 N ATOM 635 CA LYS A 46 2.122 8.677 4.618 1.00 74.15 C ATOM 636 C LYS A 46 1.330 8.950 5.893 1.00 42.14 C ATOM 637 O LYS A 46 1.855 8.827 6.999 1.00 64.44 O ATOM 638 CB LYS A 46 2.589 9.998 4.002 1.00 74.23 C ATOM 639 CG LYS A 46 3.377 9.824 2.715 1.00 20.21 C ATOM 640 CD LYS A 46 3.351 11.086 1.870 1.00 0.52 C ATOM 641 CE LYS A 46 4.485 12.029 2.242 1.00 43.23 C ATOM 642 NZ LYS A 46 4.120 12.915 3.382 1.00 32.50 N ATOM 0 H LYS A 46 1.280 8.343 2.727 1.00 63.40 H new ATOM 0 HA LYS A 46 2.993 8.075 4.874 1.00 74.15 H new ATOM 0 HB2 LYS A 46 1.719 10.624 3.804 1.00 74.23 H new ATOM 0 HB3 LYS A 46 3.206 10.529 4.727 1.00 74.23 H new ATOM 0 HG2 LYS A 46 4.409 9.565 2.951 1.00 20.21 H new ATOM 0 HG3 LYS A 46 2.963 8.994 2.143 1.00 20.21 H new ATOM 0 HD2 LYS A 46 3.428 10.821 0.816 1.00 0.52 H new ATOM 0 HD3 LYS A 46 2.396 11.594 2.002 1.00 0.52 H new ATOM 0 HE2 LYS A 46 5.369 11.448 2.503 1.00 43.23 H new ATOM 0 HE3 LYS A 46 4.748 12.639 1.378 1.00 43.23 H new ATOM 0 HZ1 LYS A 46 4.353 13.900 3.144 1.00 32.50 H new ATOM 0 HZ2 LYS A 46 3.100 12.836 3.571 1.00 32.50 H new ATOM 0 HZ3 LYS A 46 4.652 12.628 4.229 1.00 32.50 H new ATOM 656 N ALA A 47 0.064 9.320 5.730 1.00 3.50 N ATOM 657 CA ALA A 47 -0.800 9.607 6.868 1.00 0.32 C ATOM 658 C ALA A 47 -0.977 8.374 7.748 1.00 44.31 C ATOM 659 O ALA A 47 -0.985 8.472 8.975 1.00 60.54 O ATOM 660 CB ALA A 47 -2.152 10.115 6.390 1.00 72.45 C ATOM 0 H ALA A 47 -0.386 9.428 4.821 1.00 3.50 H new ATOM 0 HA ALA A 47 -0.324 10.383 7.467 1.00 0.32 H new ATOM 0 HB1 ALA A 47 -2.787 10.325 7.251 1.00 72.45 H new ATOM 0 HB2 ALA A 47 -2.014 11.027 5.810 1.00 72.45 H new ATOM 0 HB3 ALA A 47 -2.626 9.357 5.766 1.00 72.45 H new ATOM 666 N ALA A 48 -1.118 7.215 7.113 1.00 51.51 N ATOM 667 CA ALA A 48 -1.293 5.963 7.838 1.00 13.42 C ATOM 668 C ALA A 48 -0.135 5.719 8.799 1.00 23.20 C ATOM 669 O ALA A 48 -0.307 5.099 9.849 1.00 72.53 O ATOM 670 CB ALA A 48 -1.427 4.803 6.863 1.00 30.13 C ATOM 0 H ALA A 48 -1.114 7.117 6.098 1.00 51.51 H new ATOM 0 HA ALA A 48 -2.208 6.036 8.425 1.00 13.42 H new ATOM 0 HB1 ALA A 48 -1.557 3.874 7.418 1.00 30.13 H new ATOM 0 HB2 ALA A 48 -2.292 4.966 6.220 1.00 30.13 H new ATOM 0 HB3 ALA A 48 -0.528 4.737 6.251 1.00 30.13 H new ATOM 676 N ILE A 49 1.045 6.209 8.433 1.00 32.11 N ATOM 677 CA ILE A 49 2.231 6.043 9.263 1.00 2.35 C ATOM 678 C ILE A 49 2.005 6.604 10.663 1.00 20.04 C ATOM 679 O ILE A 49 2.167 5.899 11.659 1.00 73.00 O ATOM 680 CB ILE A 49 3.457 6.734 8.638 1.00 42.22 C ATOM 681 CG1 ILE A 49 3.734 6.167 7.244 1.00 74.01 C ATOM 682 CG2 ILE A 49 4.675 6.567 9.535 1.00 73.33 C ATOM 683 CD1 ILE A 49 4.863 6.866 6.520 1.00 11.00 C ATOM 0 H ILE A 49 1.205 6.724 7.567 1.00 32.11 H new ATOM 0 HA ILE A 49 2.422 4.972 9.329 1.00 2.35 H new ATOM 0 HB ILE A 49 3.245 7.799 8.541 1.00 42.22 H new ATOM 0 HG12 ILE A 49 3.971 5.107 7.333 1.00 74.01 H new ATOM 0 HG13 ILE A 49 2.827 6.241 6.644 1.00 74.01 H new ATOM 0 HG21 ILE A 49 5.533 7.061 9.079 1.00 73.33 H new ATOM 0 HG22 ILE A 49 4.474 7.014 10.509 1.00 73.33 H new ATOM 0 HG23 ILE A 49 4.892 5.506 9.661 1.00 73.33 H new ATOM 0 HD11 ILE A 49 5.003 6.412 5.539 1.00 11.00 H new ATOM 0 HD12 ILE A 49 4.620 7.922 6.399 1.00 11.00 H new ATOM 0 HD13 ILE A 49 5.781 6.769 7.099 1.00 11.00 H new ATOM 695 N ALA A 50 1.628 7.877 10.731 1.00 23.43 N ATOM 696 CA ALA A 50 1.376 8.531 12.009 1.00 53.31 C ATOM 697 C ALA A 50 0.184 7.902 12.722 1.00 30.12 C ATOM 698 O ALA A 50 0.051 8.006 13.942 1.00 51.22 O ATOM 699 CB ALA A 50 1.143 10.021 11.802 1.00 71.42 C ATOM 0 H ALA A 50 1.491 8.475 9.916 1.00 23.43 H new ATOM 0 HA ALA A 50 2.256 8.395 12.638 1.00 53.31 H new ATOM 0 HB1 ALA A 50 0.956 10.497 12.764 1.00 71.42 H new ATOM 0 HB2 ALA A 50 2.025 10.467 11.342 1.00 71.42 H new ATOM 0 HB3 ALA A 50 0.281 10.168 11.151 1.00 71.42 H new ATOM 705 N LYS A 51 -0.682 7.249 11.954 1.00 24.55 N ATOM 706 CA LYS A 51 -1.863 6.601 12.512 1.00 1.13 C ATOM 707 C LYS A 51 -1.493 5.287 13.192 1.00 30.24 C ATOM 708 O LYS A 51 -1.937 5.008 14.306 1.00 74.25 O ATOM 709 CB LYS A 51 -2.897 6.346 11.413 1.00 24.51 C ATOM 710 CG LYS A 51 -3.864 7.498 11.208 1.00 40.40 C ATOM 711 CD LYS A 51 -4.838 7.622 12.368 1.00 42.32 C ATOM 712 CE LYS A 51 -5.997 8.545 12.026 1.00 54.23 C ATOM 713 NZ LYS A 51 -5.557 9.961 11.884 1.00 63.42 N ATOM 0 H LYS A 51 -0.588 7.155 10.943 1.00 24.55 H new ATOM 0 HA LYS A 51 -2.293 7.267 13.260 1.00 1.13 H new ATOM 0 HB2 LYS A 51 -2.377 6.148 10.476 1.00 24.51 H new ATOM 0 HB3 LYS A 51 -3.463 5.447 11.660 1.00 24.51 H new ATOM 0 HG2 LYS A 51 -3.306 8.428 11.100 1.00 40.40 H new ATOM 0 HG3 LYS A 51 -4.418 7.349 10.281 1.00 40.40 H new ATOM 0 HD2 LYS A 51 -5.222 6.636 12.629 1.00 42.32 H new ATOM 0 HD3 LYS A 51 -4.315 8.003 13.245 1.00 42.32 H new ATOM 0 HE2 LYS A 51 -6.462 8.215 11.097 1.00 54.23 H new ATOM 0 HE3 LYS A 51 -6.757 8.477 12.805 1.00 54.23 H new ATOM 0 HZ1 LYS A 51 -6.376 10.557 11.651 1.00 63.42 H new ATOM 0 HZ2 LYS A 51 -5.136 10.285 12.778 1.00 63.42 H new ATOM 0 HZ3 LYS A 51 -4.851 10.030 11.124 1.00 63.42 H new ATOM 727 N GLN A 52 -0.677 4.485 12.516 1.00 3.01 N ATOM 728 CA GLN A 52 -0.247 3.201 13.057 1.00 72.22 C ATOM 729 C GLN A 52 1.275 3.111 13.103 1.00 54.12 C ATOM 730 O GLN A 52 1.874 3.100 14.177 1.00 34.23 O ATOM 731 CB GLN A 52 -0.812 2.055 12.216 1.00 73.21 C ATOM 732 CG GLN A 52 -2.241 1.682 12.577 1.00 52.40 C ATOM 733 CD GLN A 52 -3.045 1.220 11.377 1.00 2.15 C ATOM 734 OE1 GLN A 52 -3.401 0.046 11.269 1.00 10.44 O ATOM 735 NE2 GLN A 52 -3.335 2.143 10.468 1.00 71.12 N ATOM 0 H GLN A 52 -0.300 4.701 11.593 1.00 3.01 H new ATOM 0 HA GLN A 52 -0.628 3.118 14.075 1.00 72.22 H new ATOM 0 HB2 GLN A 52 -0.773 2.335 11.163 1.00 73.21 H new ATOM 0 HB3 GLN A 52 -0.175 1.179 12.337 1.00 73.21 H new ATOM 0 HG2 GLN A 52 -2.228 0.891 13.327 1.00 52.40 H new ATOM 0 HG3 GLN A 52 -2.734 2.542 13.030 1.00 52.40 H new ATOM 0 HE21 GLN A 52 -3.019 3.104 10.598 1.00 71.12 H new ATOM 0 HE22 GLN A 52 -3.873 1.891 9.639 1.00 71.12 H new ATOM 744 N GLY A 53 1.895 3.047 11.928 1.00 33.13 N ATOM 745 CA GLY A 53 3.341 2.958 11.857 1.00 5.31 C ATOM 746 C GLY A 53 3.840 2.737 10.443 1.00 71.12 C ATOM 747 O GLY A 53 3.110 2.226 9.593 1.00 34.23 O ATOM 0 H GLY A 53 1.421 3.055 11.025 1.00 33.13 H new ATOM 0 HA2 GLY A 53 3.778 3.874 12.254 1.00 5.31 H new ATOM 0 HA3 GLY A 53 3.683 2.140 12.492 1.00 5.31 H new ATOM 751 N ILE A 54 5.086 3.124 10.189 1.00 75.51 N ATOM 752 CA ILE A 54 5.680 2.965 8.867 1.00 33.34 C ATOM 753 C ILE A 54 5.529 1.533 8.366 1.00 65.44 C ATOM 754 O ILE A 54 5.371 1.296 7.168 1.00 63.22 O ATOM 755 CB ILE A 54 7.173 3.341 8.873 1.00 62.21 C ATOM 756 CG1 ILE A 54 7.904 2.599 9.994 1.00 42.11 C ATOM 757 CG2 ILE A 54 7.340 4.845 9.029 1.00 61.11 C ATOM 758 CD1 ILE A 54 9.391 2.874 10.031 1.00 2.31 C ATOM 0 H ILE A 54 5.703 3.550 10.881 1.00 75.51 H new ATOM 0 HA ILE A 54 5.147 3.640 8.197 1.00 33.34 H new ATOM 0 HB ILE A 54 7.611 3.044 7.920 1.00 62.21 H new ATOM 0 HG12 ILE A 54 7.466 2.882 10.951 1.00 42.11 H new ATOM 0 HG13 ILE A 54 7.744 1.528 9.874 1.00 42.11 H new ATOM 0 HG21 ILE A 54 8.401 5.095 9.031 1.00 61.11 H new ATOM 0 HG22 ILE A 54 6.849 5.354 8.199 1.00 61.11 H new ATOM 0 HG23 ILE A 54 6.890 5.166 9.968 1.00 61.11 H new ATOM 0 HD11 ILE A 54 9.844 2.315 10.850 1.00 2.31 H new ATOM 0 HD12 ILE A 54 9.842 2.565 9.088 1.00 2.31 H new ATOM 0 HD13 ILE A 54 9.560 3.940 10.182 1.00 2.31 H new ATOM 770 N LYS A 55 5.578 0.579 9.290 1.00 2.51 N ATOM 771 CA LYS A 55 5.444 -0.831 8.944 1.00 44.43 C ATOM 772 C LYS A 55 4.149 -1.082 8.179 1.00 61.44 C ATOM 773 O LYS A 55 4.121 -1.860 7.224 1.00 14.32 O ATOM 774 CB LYS A 55 5.478 -1.693 10.208 1.00 44.24 C ATOM 775 CG LYS A 55 4.432 -1.304 11.238 1.00 41.24 C ATOM 776 CD LYS A 55 4.996 -1.343 12.648 1.00 45.11 C ATOM 777 CE LYS A 55 4.739 -2.686 13.314 1.00 10.43 C ATOM 778 NZ LYS A 55 5.803 -3.677 12.994 1.00 1.11 N ATOM 0 H LYS A 55 5.710 0.757 10.286 1.00 2.51 H new ATOM 0 HA LYS A 55 6.283 -1.104 8.303 1.00 44.43 H new ATOM 0 HB2 LYS A 55 5.331 -2.737 9.930 1.00 44.24 H new ATOM 0 HB3 LYS A 55 6.467 -1.620 10.661 1.00 44.24 H new ATOM 0 HG2 LYS A 55 4.061 -0.302 11.021 1.00 41.24 H new ATOM 0 HG3 LYS A 55 3.581 -1.981 11.167 1.00 41.24 H new ATOM 0 HD2 LYS A 55 6.068 -1.150 12.618 1.00 45.11 H new ATOM 0 HD3 LYS A 55 4.546 -0.548 13.243 1.00 45.11 H new ATOM 0 HE2 LYS A 55 4.682 -2.551 14.394 1.00 10.43 H new ATOM 0 HE3 LYS A 55 3.773 -3.073 12.990 1.00 10.43 H new ATOM 0 HZ1 LYS A 55 5.591 -4.579 13.467 1.00 1.11 H new ATOM 0 HZ2 LYS A 55 5.841 -3.826 11.965 1.00 1.11 H new ATOM 0 HZ3 LYS A 55 6.721 -3.320 13.326 1.00 1.11 H new ATOM 792 N LYS A 56 3.079 -0.419 8.602 1.00 35.23 N ATOM 793 CA LYS A 56 1.780 -0.568 7.956 1.00 61.41 C ATOM 794 C LYS A 56 1.815 -0.023 6.532 1.00 43.50 C ATOM 795 O LYS A 56 1.211 -0.592 5.624 1.00 53.11 O ATOM 796 CB LYS A 56 0.699 0.154 8.764 1.00 63.34 C ATOM 797 CG LYS A 56 -0.067 -0.758 9.706 1.00 71.42 C ATOM 798 CD LYS A 56 0.806 -1.233 10.855 1.00 12.04 C ATOM 799 CE LYS A 56 0.010 -2.055 11.857 1.00 14.25 C ATOM 800 NZ LYS A 56 -0.200 -3.452 11.387 1.00 22.10 N ATOM 0 H LYS A 56 3.085 0.228 9.391 1.00 35.23 H new ATOM 0 HA LYS A 56 1.543 -1.631 7.914 1.00 61.41 H new ATOM 0 HB2 LYS A 56 1.163 0.953 9.342 1.00 63.34 H new ATOM 0 HB3 LYS A 56 -0.003 0.625 8.076 1.00 63.34 H new ATOM 0 HG2 LYS A 56 -0.934 -0.229 10.101 1.00 71.42 H new ATOM 0 HG3 LYS A 56 -0.444 -1.619 9.154 1.00 71.42 H new ATOM 0 HD2 LYS A 56 1.629 -1.831 10.465 1.00 12.04 H new ATOM 0 HD3 LYS A 56 1.247 -0.373 11.358 1.00 12.04 H new ATOM 0 HE2 LYS A 56 0.534 -2.068 12.813 1.00 14.25 H new ATOM 0 HE3 LYS A 56 -0.956 -1.581 12.029 1.00 14.25 H new ATOM 0 HZ1 LYS A 56 -0.746 -3.979 12.098 1.00 22.10 H new ATOM 0 HZ2 LYS A 56 -0.722 -3.441 10.488 1.00 22.10 H new ATOM 0 HZ3 LYS A 56 0.721 -3.913 11.247 1.00 22.10 H new ATOM 814 N ALA A 57 2.528 1.083 6.344 1.00 3.35 N ATOM 815 CA ALA A 57 2.645 1.703 5.030 1.00 10.35 C ATOM 816 C ALA A 57 3.177 0.712 4.001 1.00 3.21 C ATOM 817 O ALA A 57 2.786 0.745 2.834 1.00 40.21 O ATOM 818 CB ALA A 57 3.546 2.927 5.103 1.00 51.34 C ATOM 0 H ALA A 57 3.033 1.568 7.086 1.00 3.35 H new ATOM 0 HA ALA A 57 1.650 2.016 4.713 1.00 10.35 H new ATOM 0 HB1 ALA A 57 3.625 3.380 4.115 1.00 51.34 H new ATOM 0 HB2 ALA A 57 3.123 3.649 5.801 1.00 51.34 H new ATOM 0 HB3 ALA A 57 4.537 2.629 5.446 1.00 51.34 H new ATOM 824 N ILE A 58 4.071 -0.167 4.440 1.00 21.24 N ATOM 825 CA ILE A 58 4.656 -1.168 3.556 1.00 2.44 C ATOM 826 C ILE A 58 3.576 -2.021 2.901 1.00 51.14 C ATOM 827 O ILE A 58 3.502 -2.111 1.676 1.00 70.35 O ATOM 828 CB ILE A 58 5.631 -2.088 4.315 1.00 43.54 C ATOM 829 CG1 ILE A 58 6.737 -1.261 4.975 1.00 62.53 C ATOM 830 CG2 ILE A 58 6.227 -3.121 3.370 1.00 33.34 C ATOM 831 CD1 ILE A 58 7.631 -2.070 5.889 1.00 45.34 C ATOM 0 H ILE A 58 4.406 -0.207 5.403 1.00 21.24 H new ATOM 0 HA ILE A 58 5.205 -0.627 2.786 1.00 2.44 H new ATOM 0 HB ILE A 58 5.080 -2.613 5.096 1.00 43.54 H new ATOM 0 HG12 ILE A 58 7.347 -0.799 4.199 1.00 62.53 H new ATOM 0 HG13 ILE A 58 6.283 -0.452 5.547 1.00 62.53 H new ATOM 0 HG21 ILE A 58 6.914 -3.764 3.920 1.00 33.34 H new ATOM 0 HG22 ILE A 58 5.428 -3.726 2.942 1.00 33.34 H new ATOM 0 HG23 ILE A 58 6.767 -2.614 2.570 1.00 33.34 H new ATOM 0 HD11 ILE A 58 8.392 -1.421 6.322 1.00 45.34 H new ATOM 0 HD12 ILE A 58 7.033 -2.510 6.687 1.00 45.34 H new ATOM 0 HD13 ILE A 58 8.114 -2.863 5.318 1.00 45.34 H new ATOM 843 N GLN A 59 2.739 -2.643 3.725 1.00 63.10 N ATOM 844 CA GLN A 59 1.662 -3.488 3.224 1.00 32.34 C ATOM 845 C GLN A 59 0.742 -2.704 2.294 1.00 0.14 C ATOM 846 O GLN A 59 0.107 -3.274 1.406 1.00 31.12 O ATOM 847 CB GLN A 59 0.856 -4.067 4.389 1.00 41.12 C ATOM 848 CG GLN A 59 1.540 -5.235 5.080 1.00 33.43 C ATOM 849 CD GLN A 59 0.738 -5.771 6.250 1.00 22.22 C ATOM 850 OE1 GLN A 59 0.074 -6.802 6.142 1.00 34.11 O ATOM 851 NE2 GLN A 59 0.797 -5.072 7.378 1.00 72.41 N ATOM 0 H GLN A 59 2.786 -2.578 4.742 1.00 63.10 H new ATOM 0 HA GLN A 59 2.109 -4.305 2.658 1.00 32.34 H new ATOM 0 HB2 GLN A 59 0.673 -3.280 5.120 1.00 41.12 H new ATOM 0 HB3 GLN A 59 -0.117 -4.393 4.021 1.00 41.12 H new ATOM 0 HG2 GLN A 59 1.702 -6.035 4.358 1.00 33.43 H new ATOM 0 HG3 GLN A 59 2.522 -4.920 5.432 1.00 33.43 H new ATOM 0 HE21 GLN A 59 1.360 -4.223 7.423 1.00 72.41 H new ATOM 0 HE22 GLN A 59 0.279 -5.384 8.199 1.00 72.41 H new ATOM 860 N LEU A 60 0.675 -1.394 2.504 1.00 53.11 N ATOM 861 CA LEU A 60 -0.168 -0.530 1.684 1.00 31.22 C ATOM 862 C LEU A 60 0.333 -0.488 0.244 1.00 2.13 C ATOM 863 O LEU A 60 -0.456 -0.518 -0.700 1.00 31.33 O ATOM 864 CB LEU A 60 -0.202 0.884 2.266 1.00 21.14 C ATOM 865 CG LEU A 60 -1.582 1.418 2.653 1.00 64.12 C ATOM 866 CD1 LEU A 60 -2.539 1.325 1.475 1.00 71.10 C ATOM 867 CD2 LEU A 60 -2.131 0.657 3.851 1.00 55.52 C ATOM 0 H LEU A 60 1.194 -0.907 3.235 1.00 53.11 H new ATOM 0 HA LEU A 60 -1.177 -0.941 1.686 1.00 31.22 H new ATOM 0 HB2 LEU A 60 0.435 0.907 3.150 1.00 21.14 H new ATOM 0 HB3 LEU A 60 0.238 1.566 1.538 1.00 21.14 H new ATOM 0 HG LEU A 60 -1.481 2.467 2.930 1.00 64.12 H new ATOM 0 HD11 LEU A 60 -3.516 1.709 1.769 1.00 71.10 H new ATOM 0 HD12 LEU A 60 -2.152 1.915 0.644 1.00 71.10 H new ATOM 0 HD13 LEU A 60 -2.636 0.284 1.167 1.00 71.10 H new ATOM 0 HD21 LEU A 60 -3.113 1.050 4.113 1.00 55.52 H new ATOM 0 HD22 LEU A 60 -2.218 -0.401 3.602 1.00 55.52 H new ATOM 0 HD23 LEU A 60 -1.455 0.776 4.698 1.00 55.52 H new