USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=14 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+ 122:sc= 0.152 (180deg=-0.475) USER MOD Single : A 4 TYR OH : rot 130:sc= -0.0691 USER MOD Single : A 8 GLN : amide:sc=-0.00261 K(o=-0.0026,f=-0.65) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 149:sc= -0.307 (180deg=-1.68!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00643 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00851 USER MOD Single : A 26 SER OG : rot -90:sc= -1.66! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 110:sc= -0.239 USER MOD Single : A 39 SER OG : rot -70:sc= -3.45! USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.035) USER MOD Single : A 51 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0371) USER MOD Single : A 52 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.43) USER MOD Single : A 55 LYS NZ :NH3+ -113:sc= -0.203 (180deg=-1.82!) 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=-0.0015) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.494 0.171 0.308 1.00 1.02 N ATOM 2 CA LEU A 1 2.238 0.229 -0.945 1.00 71.25 C ATOM 3 C LEU A 1 2.170 -1.106 -1.681 1.00 10.31 C ATOM 4 O LEU A 1 1.788 -1.164 -2.850 1.00 13.23 O ATOM 5 CB LEU A 1 3.697 0.604 -0.679 1.00 32.41 C ATOM 6 CG LEU A 1 3.967 2.079 -0.383 1.00 5.20 C ATOM 7 CD1 LEU A 1 5.391 2.271 0.115 1.00 4.25 C ATOM 8 CD2 LEU A 1 3.715 2.926 -1.622 1.00 2.54 C ATOM 0 H1 LEU A 1 2.129 0.399 1.100 1.00 1.02 H new ATOM 0 HA LEU A 1 1.782 0.994 -1.574 1.00 71.25 H new ATOM 0 HB2 LEU A 1 4.055 0.013 0.164 1.00 32.41 H new ATOM 0 HB3 LEU A 1 4.290 0.314 -1.546 1.00 32.41 H new ATOM 0 HG LEU A 1 3.283 2.404 0.401 1.00 5.20 H new ATOM 0 HD11 LEU A 1 5.565 3.327 0.321 1.00 4.25 H new ATOM 0 HD12 LEU A 1 5.538 1.694 1.028 1.00 4.25 H new ATOM 0 HD13 LEU A 1 6.092 1.929 -0.647 1.00 4.25 H new ATOM 0 HD21 LEU A 1 3.912 3.973 -1.393 1.00 2.54 H new ATOM 0 HD22 LEU A 1 4.375 2.600 -2.426 1.00 2.54 H new ATOM 0 HD23 LEU A 1 2.677 2.812 -1.936 1.00 2.54 H new ATOM 20 N VAL A 2 2.542 -2.177 -0.988 1.00 33.34 N ATOM 21 CA VAL A 2 2.520 -3.512 -1.573 1.00 71.35 C ATOM 22 C VAL A 2 1.100 -3.928 -1.942 1.00 0.32 C ATOM 23 O VAL A 2 0.844 -4.376 -3.059 1.00 34.03 O ATOM 24 CB VAL A 2 3.115 -4.557 -0.611 1.00 65.23 C ATOM 25 CG1 VAL A 2 3.214 -5.914 -1.291 1.00 73.40 C ATOM 26 CG2 VAL A 2 4.478 -4.103 -0.110 1.00 31.25 C ATOM 0 H VAL A 2 2.862 -2.146 -0.020 1.00 33.34 H new ATOM 0 HA VAL A 2 3.130 -3.471 -2.476 1.00 71.35 H new ATOM 0 HB VAL A 2 2.451 -4.655 0.248 1.00 65.23 H new ATOM 0 HG11 VAL A 2 3.637 -6.639 -0.596 1.00 73.40 H new ATOM 0 HG12 VAL A 2 2.220 -6.241 -1.597 1.00 73.40 H new ATOM 0 HG13 VAL A 2 3.856 -5.835 -2.168 1.00 73.40 H new ATOM 0 HG21 VAL A 2 4.884 -4.853 0.569 1.00 31.25 H new ATOM 0 HG22 VAL A 2 5.153 -3.976 -0.956 1.00 31.25 H new ATOM 0 HG23 VAL A 2 4.374 -3.155 0.417 1.00 31.25 H new ATOM 36 N ALA A 3 0.180 -3.775 -0.995 1.00 2.13 N ATOM 37 CA ALA A 3 -1.215 -4.132 -1.220 1.00 41.32 C ATOM 38 C ALA A 3 -1.838 -3.254 -2.300 1.00 73.23 C ATOM 39 O ALA A 3 -2.748 -3.681 -3.012 1.00 14.44 O ATOM 40 CB ALA A 3 -2.005 -4.018 0.075 1.00 23.54 C ATOM 0 H ALA A 3 0.376 -3.406 -0.064 1.00 2.13 H new ATOM 0 HA ALA A 3 -1.249 -5.166 -1.563 1.00 41.32 H new ATOM 0 HB1 ALA A 3 -3.045 -4.288 -0.108 1.00 23.54 H new ATOM 0 HB2 ALA A 3 -1.581 -4.691 0.820 1.00 23.54 H new ATOM 0 HB3 ALA A 3 -1.955 -2.993 0.443 1.00 23.54 H new ATOM 46 N TYR A 4 -1.344 -2.027 -2.417 1.00 43.03 N ATOM 47 CA TYR A 4 -1.855 -1.088 -3.409 1.00 22.20 C ATOM 48 C TYR A 4 -1.383 -1.465 -4.810 1.00 21.10 C ATOM 49 O TYR A 4 -2.174 -1.519 -5.750 1.00 71.15 O ATOM 50 CB TYR A 4 -1.406 0.335 -3.073 1.00 52.14 C ATOM 51 CG TYR A 4 -1.836 1.362 -4.096 1.00 43.43 C ATOM 52 CD1 TYR A 4 -3.171 1.719 -4.234 1.00 35.41 C ATOM 53 CD2 TYR A 4 -0.905 1.978 -4.925 1.00 20.43 C ATOM 54 CE1 TYR A 4 -3.568 2.656 -5.168 1.00 12.13 C ATOM 55 CE2 TYR A 4 -1.292 2.917 -5.860 1.00 55.33 C ATOM 56 CZ TYR A 4 -2.625 3.253 -5.978 1.00 71.24 C ATOM 57 OH TYR A 4 -3.016 4.188 -6.909 1.00 11.12 O ATOM 0 H TYR A 4 -0.590 -1.659 -1.837 1.00 43.03 H new ATOM 0 HA TYR A 4 -2.944 -1.133 -3.388 1.00 22.20 H new ATOM 0 HB2 TYR A 4 -1.808 0.614 -2.099 1.00 52.14 H new ATOM 0 HB3 TYR A 4 -0.320 0.353 -2.986 1.00 52.14 H new ATOM 0 HD1 TYR A 4 -3.912 1.256 -3.600 1.00 35.41 H new ATOM 0 HD2 TYR A 4 0.139 1.717 -4.836 1.00 20.43 H new ATOM 0 HE1 TYR A 4 -4.611 2.920 -5.263 1.00 12.13 H new ATOM 0 HE2 TYR A 4 -0.555 3.386 -6.496 1.00 55.33 H new ATOM 0 HH TYR A 4 -2.458 4.989 -6.822 1.00 11.12 H new ATOM 67 N GLY A 5 -0.086 -1.726 -4.940 1.00 65.03 N ATOM 68 CA GLY A 5 0.471 -2.095 -6.229 1.00 21.34 C ATOM 69 C GLY A 5 1.969 -1.875 -6.297 1.00 63.45 C ATOM 70 O GLY A 5 2.668 -2.548 -7.056 1.00 73.05 O ATOM 0 H GLY A 5 0.589 -1.689 -4.176 1.00 65.03 H new ATOM 0 HA2 GLY A 5 0.251 -3.144 -6.430 1.00 21.34 H new ATOM 0 HA3 GLY A 5 -0.015 -1.512 -7.012 1.00 21.34 H new ATOM 74 N ILE A 6 2.464 -0.931 -5.505 1.00 0.22 N ATOM 75 CA ILE A 6 3.889 -0.624 -5.480 1.00 32.12 C ATOM 76 C ILE A 6 4.708 -1.851 -5.094 1.00 4.31 C ATOM 77 O ILE A 6 4.418 -2.516 -4.100 1.00 65.02 O ATOM 78 CB ILE A 6 4.201 0.519 -4.496 1.00 25.31 C ATOM 79 CG1 ILE A 6 3.423 1.779 -4.879 1.00 73.35 C ATOM 80 CG2 ILE A 6 5.696 0.801 -4.470 1.00 22.14 C ATOM 81 CD1 ILE A 6 3.706 2.260 -6.285 1.00 62.33 C ATOM 0 H ILE A 6 1.899 -0.365 -4.872 1.00 0.22 H new ATOM 0 HA ILE A 6 4.163 -0.310 -6.487 1.00 32.12 H new ATOM 0 HB ILE A 6 3.890 0.213 -3.497 1.00 25.31 H new ATOM 0 HG12 ILE A 6 2.356 1.582 -4.779 1.00 73.35 H new ATOM 0 HG13 ILE A 6 3.667 2.575 -4.175 1.00 73.35 H new ATOM 0 HG21 ILE A 6 5.901 1.611 -3.770 1.00 22.14 H new ATOM 0 HG22 ILE A 6 6.230 -0.095 -4.154 1.00 22.14 H new ATOM 0 HG23 ILE A 6 6.029 1.090 -5.467 1.00 22.14 H new ATOM 0 HD11 ILE A 6 3.120 3.157 -6.488 1.00 62.33 H new ATOM 0 HD12 ILE A 6 4.767 2.490 -6.384 1.00 62.33 H new ATOM 0 HD13 ILE A 6 3.435 1.481 -6.998 1.00 62.33 H new ATOM 93 N ALA A 7 5.735 -2.143 -5.886 1.00 53.12 N ATOM 94 CA ALA A 7 6.599 -3.287 -5.626 1.00 23.15 C ATOM 95 C ALA A 7 7.112 -3.272 -4.190 1.00 3.34 C ATOM 96 O ALA A 7 7.489 -2.223 -3.667 1.00 41.04 O ATOM 97 CB ALA A 7 7.764 -3.302 -6.604 1.00 43.11 C ATOM 0 H ALA A 7 5.988 -1.602 -6.713 1.00 53.12 H new ATOM 0 HA ALA A 7 6.011 -4.194 -5.765 1.00 23.15 H new ATOM 0 HB1 ALA A 7 8.401 -4.162 -6.398 1.00 43.11 H new ATOM 0 HB2 ALA A 7 7.383 -3.369 -7.623 1.00 43.11 H new ATOM 0 HB3 ALA A 7 8.344 -2.386 -6.493 1.00 43.11 H new ATOM 103 N GLN A 8 7.123 -4.441 -3.557 1.00 51.33 N ATOM 104 CA GLN A 8 7.589 -4.560 -2.181 1.00 14.13 C ATOM 105 C GLN A 8 9.089 -4.305 -2.090 1.00 25.13 C ATOM 106 O GLN A 8 9.561 -3.631 -1.175 1.00 35.24 O ATOM 107 CB GLN A 8 7.260 -5.948 -1.627 1.00 44.34 C ATOM 108 CG GLN A 8 7.849 -7.084 -2.448 1.00 34.43 C ATOM 109 CD GLN A 8 7.382 -8.447 -1.975 1.00 62.21 C ATOM 110 OE1 GLN A 8 6.232 -8.616 -1.569 1.00 70.23 O ATOM 111 NE2 GLN A 8 8.275 -9.429 -2.026 1.00 31.05 N ATOM 0 H GLN A 8 6.815 -5.319 -3.975 1.00 51.33 H new ATOM 0 HA GLN A 8 7.075 -3.807 -1.584 1.00 14.13 H new ATOM 0 HB2 GLN A 8 7.630 -6.019 -0.604 1.00 44.34 H new ATOM 0 HB3 GLN A 8 6.177 -6.066 -1.583 1.00 44.34 H new ATOM 0 HG2 GLN A 8 7.573 -6.952 -3.494 1.00 34.43 H new ATOM 0 HG3 GLN A 8 8.937 -7.039 -2.397 1.00 34.43 H new ATOM 0 HE21 GLN A 8 9.217 -9.244 -2.370 1.00 31.05 H new ATOM 0 HE22 GLN A 8 8.018 -10.368 -1.721 1.00 31.05 H new ATOM 120 N GLY A 9 9.836 -4.849 -3.046 1.00 24.43 N ATOM 121 CA GLY A 9 11.276 -4.670 -3.055 1.00 5.05 C ATOM 122 C GLY A 9 11.679 -3.210 -2.994 1.00 2.14 C ATOM 123 O GLY A 9 12.502 -2.818 -2.165 1.00 62.43 O ATOM 0 H GLY A 9 9.469 -5.411 -3.815 1.00 24.43 H new ATOM 0 HA2 GLY A 9 11.710 -5.199 -2.207 1.00 5.05 H new ATOM 0 HA3 GLY A 9 11.689 -5.120 -3.957 1.00 5.05 H new ATOM 127 N THR A 10 11.099 -2.400 -3.874 1.00 64.35 N ATOM 128 CA THR A 10 11.404 -0.976 -3.920 1.00 4.14 C ATOM 129 C THR A 10 10.711 -0.229 -2.786 1.00 52.13 C ATOM 130 O THR A 10 11.238 0.752 -2.262 1.00 65.51 O ATOM 131 CB THR A 10 10.982 -0.353 -5.264 1.00 21.32 C ATOM 132 OG1 THR A 10 11.681 -0.990 -6.340 1.00 15.15 O ATOM 133 CG2 THR A 10 11.267 1.141 -5.281 1.00 71.03 C ATOM 0 H THR A 10 10.415 -2.707 -4.565 1.00 64.35 H new ATOM 0 HA THR A 10 12.484 -0.881 -3.808 1.00 4.14 H new ATOM 0 HB THR A 10 9.910 -0.503 -5.389 1.00 21.32 H new ATOM 0 HG1 THR A 10 11.406 -0.590 -7.191 1.00 15.15 H new ATOM 0 HG21 THR A 10 10.961 1.559 -6.240 1.00 71.03 H new ATOM 0 HG22 THR A 10 10.711 1.627 -4.479 1.00 71.03 H new ATOM 0 HG23 THR A 10 12.334 1.310 -5.136 1.00 71.03 H new ATOM 141 N ALA A 11 9.525 -0.699 -2.412 1.00 64.11 N ATOM 142 CA ALA A 11 8.761 -0.077 -1.338 1.00 51.45 C ATOM 143 C ALA A 11 9.611 0.087 -0.083 1.00 52.20 C ATOM 144 O ALA A 11 9.648 1.162 0.516 1.00 63.43 O ATOM 145 CB ALA A 11 7.517 -0.897 -1.032 1.00 54.04 C ATOM 0 H ALA A 11 9.073 -1.508 -2.837 1.00 64.11 H new ATOM 0 HA ALA A 11 8.456 0.915 -1.670 1.00 51.45 H new ATOM 0 HB1 ALA A 11 6.956 -0.421 -0.228 1.00 54.04 H new ATOM 0 HB2 ALA A 11 6.893 -0.958 -1.924 1.00 54.04 H new ATOM 0 HB3 ALA A 11 7.810 -1.901 -0.725 1.00 54.04 H new ATOM 151 N GLU A 12 10.291 -0.985 0.310 1.00 72.40 N ATOM 152 CA GLU A 12 11.139 -0.959 1.496 1.00 71.21 C ATOM 153 C GLU A 12 12.115 0.212 1.441 1.00 41.42 C ATOM 154 O GLU A 12 12.251 0.968 2.403 1.00 2.22 O ATOM 155 CB GLU A 12 11.910 -2.274 1.628 1.00 61.13 C ATOM 156 CG GLU A 12 11.142 -3.359 2.365 1.00 44.25 C ATOM 157 CD GLU A 12 11.576 -4.755 1.963 1.00 31.44 C ATOM 158 OE1 GLU A 12 12.626 -5.215 2.459 1.00 31.34 O ATOM 159 OE2 GLU A 12 10.866 -5.388 1.154 1.00 43.00 O ATOM 0 H GLU A 12 10.271 -1.882 -0.175 1.00 72.40 H new ATOM 0 HA GLU A 12 10.497 -0.834 2.368 1.00 71.21 H new ATOM 0 HB2 GLU A 12 12.168 -2.636 0.633 1.00 61.13 H new ATOM 0 HB3 GLU A 12 12.847 -2.085 2.151 1.00 61.13 H new ATOM 0 HG2 GLU A 12 11.283 -3.234 3.439 1.00 44.25 H new ATOM 0 HG3 GLU A 12 10.076 -3.243 2.168 1.00 44.25 H new ATOM 166 N LYS A 13 12.794 0.357 0.308 1.00 74.35 N ATOM 167 CA LYS A 13 13.757 1.435 0.124 1.00 3.42 C ATOM 168 C LYS A 13 13.057 2.790 0.086 1.00 30.04 C ATOM 169 O LYS A 13 13.551 3.771 0.642 1.00 12.14 O ATOM 170 CB LYS A 13 14.551 1.224 -1.167 1.00 22.31 C ATOM 171 CG LYS A 13 15.654 2.247 -1.378 1.00 15.22 C ATOM 172 CD LYS A 13 16.188 2.206 -2.800 1.00 22.15 C ATOM 173 CE LYS A 13 17.329 1.209 -2.937 1.00 53.03 C ATOM 174 NZ LYS A 13 16.850 -0.198 -2.842 1.00 41.14 N ATOM 0 H LYS A 13 12.694 -0.260 -0.498 1.00 74.35 H new ATOM 0 HA LYS A 13 14.443 1.423 0.971 1.00 3.42 H new ATOM 0 HB2 LYS A 13 14.990 0.226 -1.154 1.00 22.31 H new ATOM 0 HB3 LYS A 13 13.866 1.260 -2.014 1.00 22.31 H new ATOM 0 HG2 LYS A 13 15.273 3.245 -1.160 1.00 15.22 H new ATOM 0 HG3 LYS A 13 16.467 2.057 -0.677 1.00 15.22 H new ATOM 0 HD2 LYS A 13 15.384 1.937 -3.484 1.00 22.15 H new ATOM 0 HD3 LYS A 13 16.534 3.199 -3.089 1.00 22.15 H new ATOM 0 HE2 LYS A 13 17.829 1.359 -3.894 1.00 53.03 H new ATOM 0 HE3 LYS A 13 18.069 1.394 -2.158 1.00 53.03 H new ATOM 0 HZ1 LYS A 13 17.457 -0.811 -3.423 1.00 41.14 H new ATOM 0 HZ2 LYS A 13 16.888 -0.512 -1.851 1.00 41.14 H new ATOM 0 HZ3 LYS A 13 15.870 -0.255 -3.186 1.00 41.14 H new ATOM 188 N VAL A 14 11.903 2.836 -0.572 1.00 10.43 N ATOM 189 CA VAL A 14 11.133 4.070 -0.679 1.00 45.25 C ATOM 190 C VAL A 14 10.711 4.576 0.695 1.00 10.12 C ATOM 191 O VAL A 14 10.652 5.783 0.933 1.00 35.54 O ATOM 192 CB VAL A 14 9.878 3.874 -1.550 1.00 43.54 C ATOM 193 CG1 VAL A 14 9.074 5.163 -1.625 1.00 14.11 C ATOM 194 CG2 VAL A 14 10.265 3.397 -2.942 1.00 21.41 C ATOM 0 H VAL A 14 11.481 2.033 -1.039 1.00 10.43 H new ATOM 0 HA VAL A 14 11.782 4.808 -1.150 1.00 45.25 H new ATOM 0 HB VAL A 14 9.253 3.109 -1.089 1.00 43.54 H new ATOM 0 HG11 VAL A 14 8.191 5.006 -2.244 1.00 14.11 H new ATOM 0 HG12 VAL A 14 8.766 5.458 -0.622 1.00 14.11 H new ATOM 0 HG13 VAL A 14 9.688 5.950 -2.062 1.00 14.11 H new ATOM 0 HG21 VAL A 14 9.366 3.264 -3.544 1.00 21.41 H new ATOM 0 HG22 VAL A 14 10.911 4.137 -3.414 1.00 21.41 H new ATOM 0 HG23 VAL A 14 10.795 2.448 -2.867 1.00 21.41 H new ATOM 204 N VAL A 15 10.418 3.645 1.598 1.00 4.51 N ATOM 205 CA VAL A 15 10.003 3.997 2.951 1.00 74.52 C ATOM 206 C VAL A 15 11.033 4.894 3.627 1.00 61.20 C ATOM 207 O VAL A 15 10.684 5.889 4.261 1.00 13.14 O ATOM 208 CB VAL A 15 9.786 2.740 3.815 1.00 11.32 C ATOM 209 CG1 VAL A 15 9.385 3.128 5.230 1.00 5.34 C ATOM 210 CG2 VAL A 15 8.738 1.835 3.185 1.00 25.22 C ATOM 0 H VAL A 15 10.460 2.642 1.417 1.00 4.51 H new ATOM 0 HA VAL A 15 9.060 4.536 2.863 1.00 74.52 H new ATOM 0 HB VAL A 15 10.725 2.189 3.867 1.00 11.32 H new ATOM 0 HG11 VAL A 15 9.236 2.227 5.826 1.00 5.34 H new ATOM 0 HG12 VAL A 15 10.173 3.733 5.678 1.00 5.34 H new ATOM 0 HG13 VAL A 15 8.459 3.701 5.201 1.00 5.34 H new ATOM 0 HG21 VAL A 15 8.597 0.952 3.809 1.00 25.22 H new ATOM 0 HG22 VAL A 15 7.794 2.374 3.102 1.00 25.22 H new ATOM 0 HG23 VAL A 15 9.070 1.529 2.193 1.00 25.22 H new ATOM 220 N SER A 16 12.305 4.535 3.486 1.00 22.15 N ATOM 221 CA SER A 16 13.388 5.306 4.087 1.00 73.24 C ATOM 222 C SER A 16 13.311 6.770 3.664 1.00 64.32 C ATOM 223 O SER A 16 13.643 7.670 4.437 1.00 62.42 O ATOM 224 CB SER A 16 14.743 4.718 3.688 1.00 52.11 C ATOM 225 OG SER A 16 14.742 3.306 3.809 1.00 53.14 O ATOM 0 H SER A 16 12.611 3.716 2.961 1.00 22.15 H new ATOM 0 HA SER A 16 13.282 5.253 5.171 1.00 73.24 H new ATOM 0 HB2 SER A 16 14.976 4.998 2.661 1.00 52.11 H new ATOM 0 HB3 SER A 16 15.526 5.140 4.319 1.00 52.11 H new ATOM 0 HG SER A 16 15.618 2.955 3.547 1.00 53.14 H new ATOM 231 N LEU A 17 12.872 7.001 2.432 1.00 70.23 N ATOM 232 CA LEU A 17 12.751 8.355 1.904 1.00 42.41 C ATOM 233 C LEU A 17 11.595 9.097 2.568 1.00 44.34 C ATOM 234 O LEU A 17 11.672 10.304 2.801 1.00 24.25 O ATOM 235 CB LEU A 17 12.545 8.317 0.389 1.00 54.03 C ATOM 236 CG LEU A 17 13.769 8.650 -0.464 1.00 62.33 C ATOM 237 CD1 LEU A 17 14.941 7.756 -0.088 1.00 75.33 C ATOM 238 CD2 LEU A 17 13.442 8.510 -1.944 1.00 25.30 C ATOM 0 H LEU A 17 12.594 6.268 1.780 1.00 70.23 H new ATOM 0 HA LEU A 17 13.676 8.888 2.125 1.00 42.41 H new ATOM 0 HB2 LEU A 17 12.196 7.321 0.115 1.00 54.03 H new ATOM 0 HB3 LEU A 17 11.748 9.015 0.133 1.00 54.03 H new ATOM 0 HG LEU A 17 14.052 9.685 -0.271 1.00 62.33 H new ATOM 0 HD11 LEU A 17 15.803 8.007 -0.706 1.00 75.33 H new ATOM 0 HD12 LEU A 17 15.191 7.906 0.962 1.00 75.33 H new ATOM 0 HD13 LEU A 17 14.670 6.713 -0.251 1.00 75.33 H new ATOM 0 HD21 LEU A 17 14.325 8.751 -2.536 1.00 25.30 H new ATOM 0 HD22 LEU A 17 13.133 7.486 -2.153 1.00 25.30 H new ATOM 0 HD23 LEU A 17 12.633 9.193 -2.204 1.00 25.30 H new ATOM 250 N ILE A 18 10.527 8.368 2.870 1.00 31.10 N ATOM 251 CA ILE A 18 9.357 8.956 3.510 1.00 50.41 C ATOM 252 C ILE A 18 9.690 9.457 4.911 1.00 4.21 C ATOM 253 O ILE A 18 9.382 10.595 5.264 1.00 24.32 O ATOM 254 CB ILE A 18 8.197 7.947 3.600 1.00 1.21 C ATOM 255 CG1 ILE A 18 7.938 7.311 2.233 1.00 42.11 C ATOM 256 CG2 ILE A 18 6.940 8.630 4.119 1.00 24.55 C ATOM 257 CD1 ILE A 18 6.813 6.300 2.240 1.00 0.11 C ATOM 0 H ILE A 18 10.447 7.369 2.682 1.00 31.10 H new ATOM 0 HA ILE A 18 9.048 9.797 2.890 1.00 50.41 H new ATOM 0 HB ILE A 18 8.474 7.159 4.300 1.00 1.21 H new ATOM 0 HG12 ILE A 18 7.705 8.097 1.514 1.00 42.11 H new ATOM 0 HG13 ILE A 18 8.851 6.824 1.889 1.00 42.11 H new ATOM 0 HG21 ILE A 18 6.129 7.904 4.177 1.00 24.55 H new ATOM 0 HG22 ILE A 18 7.132 9.040 5.111 1.00 24.55 H new ATOM 0 HG23 ILE A 18 6.658 9.436 3.442 1.00 24.55 H new ATOM 0 HD11 ILE A 18 6.686 5.890 1.238 1.00 0.11 H new ATOM 0 HD12 ILE A 18 7.052 5.494 2.934 1.00 0.11 H new ATOM 0 HD13 ILE A 18 5.889 6.786 2.553 1.00 0.11 H new ATOM 269 N ASN A 19 10.324 8.600 5.705 1.00 74.30 N ATOM 270 CA ASN A 19 10.701 8.955 7.068 1.00 13.51 C ATOM 271 C ASN A 19 11.614 10.178 7.079 1.00 74.24 C ATOM 272 O ASN A 19 11.628 10.946 8.040 1.00 50.23 O ATOM 273 CB ASN A 19 11.399 7.777 7.750 1.00 2.42 C ATOM 274 CG ASN A 19 11.799 8.091 9.179 1.00 44.01 C ATOM 275 OD1 ASN A 19 12.904 8.570 9.435 1.00 62.10 O ATOM 276 ND2 ASN A 19 10.900 7.821 10.118 1.00 50.11 N ATOM 0 H ASN A 19 10.587 7.654 5.428 1.00 74.30 H new ATOM 0 HA ASN A 19 9.792 9.197 7.618 1.00 13.51 H new ATOM 0 HB2 ASN A 19 10.736 6.912 7.743 1.00 2.42 H new ATOM 0 HB3 ASN A 19 12.286 7.504 7.179 1.00 2.42 H new ATOM 0 HD21 ASN A 19 11.113 8.010 11.097 1.00 50.11 H new ATOM 0 HD22 ASN A 19 9.996 7.424 9.860 1.00 50.11 H new ATOM 283 N ALA A 20 12.374 10.351 6.002 1.00 32.03 N ATOM 284 CA ALA A 20 13.287 11.481 5.886 1.00 25.32 C ATOM 285 C ALA A 20 12.525 12.800 5.835 1.00 1.44 C ATOM 286 O ALA A 20 13.085 13.863 6.103 1.00 32.44 O ATOM 287 CB ALA A 20 14.163 11.327 4.651 1.00 32.22 C ATOM 0 H ALA A 20 12.375 9.723 5.198 1.00 32.03 H new ATOM 0 HA ALA A 20 13.924 11.494 6.771 1.00 25.32 H new ATOM 0 HB1 ALA A 20 14.840 12.178 4.577 1.00 32.22 H new ATOM 0 HB2 ALA A 20 14.743 10.407 4.729 1.00 32.22 H new ATOM 0 HB3 ALA A 20 13.534 11.285 3.762 1.00 32.22 H new ATOM 293 N GLY A 21 11.244 12.725 5.489 1.00 55.43 N ATOM 294 CA GLY A 21 10.426 13.922 5.408 1.00 33.52 C ATOM 295 C GLY A 21 10.221 14.389 3.981 1.00 44.31 C ATOM 296 O GLY A 21 9.852 15.540 3.744 1.00 53.14 O ATOM 0 H GLY A 21 10.758 11.857 5.263 1.00 55.43 H new ATOM 0 HA2 GLY A 21 9.456 13.727 5.866 1.00 33.52 H new ATOM 0 HA3 GLY A 21 10.896 14.719 5.984 1.00 33.52 H new ATOM 300 N LEU A 22 10.464 13.497 3.027 1.00 33.23 N ATOM 301 CA LEU A 22 10.306 13.825 1.615 1.00 73.35 C ATOM 302 C LEU A 22 8.831 13.880 1.230 1.00 13.51 C ATOM 303 O LEU A 22 8.042 13.020 1.622 1.00 21.43 O ATOM 304 CB LEU A 22 11.032 12.795 0.747 1.00 31.34 C ATOM 305 CG LEU A 22 12.520 13.051 0.504 1.00 14.44 C ATOM 306 CD1 LEU A 22 12.716 14.314 -0.321 1.00 34.23 C ATOM 307 CD2 LEU A 22 13.266 13.155 1.826 1.00 31.25 C ATOM 0 H LEU A 22 10.771 12.541 3.206 1.00 33.23 H new ATOM 0 HA LEU A 22 10.744 14.808 1.445 1.00 73.35 H new ATOM 0 HB2 LEU A 22 10.924 11.816 1.213 1.00 31.34 H new ATOM 0 HB3 LEU A 22 10.530 12.745 -0.219 1.00 31.34 H new ATOM 0 HG LEU A 22 12.928 12.209 -0.055 1.00 14.44 H new ATOM 0 HD11 LEU A 22 13.781 14.480 -0.484 1.00 34.23 H new ATOM 0 HD12 LEU A 22 12.215 14.202 -1.282 1.00 34.23 H new ATOM 0 HD13 LEU A 22 12.293 15.166 0.212 1.00 34.23 H new ATOM 0 HD21 LEU A 22 14.323 13.337 1.634 1.00 31.25 H new ATOM 0 HD22 LEU A 22 12.856 13.978 2.411 1.00 31.25 H new ATOM 0 HD23 LEU A 22 13.153 12.224 2.382 1.00 31.25 H new ATOM 319 N THR A 23 8.464 14.899 0.458 1.00 73.40 N ATOM 320 CA THR A 23 7.084 15.066 0.019 1.00 1.52 C ATOM 321 C THR A 23 6.795 14.226 -1.219 1.00 50.35 C ATOM 322 O THR A 23 7.713 13.799 -1.921 1.00 15.54 O ATOM 323 CB THR A 23 6.769 16.542 -0.290 1.00 54.13 C ATOM 324 OG1 THR A 23 7.790 17.097 -1.127 1.00 22.54 O ATOM 325 CG2 THR A 23 6.661 17.353 0.992 1.00 33.13 C ATOM 0 H THR A 23 9.103 15.620 0.124 1.00 73.40 H new ATOM 0 HA THR A 23 6.448 14.730 0.838 1.00 1.52 H new ATOM 0 HB THR A 23 5.812 16.584 -0.809 1.00 54.13 H new ATOM 0 HG1 THR A 23 7.581 18.035 -1.320 1.00 22.54 H new ATOM 0 HG21 THR A 23 6.438 18.392 0.748 1.00 33.13 H new ATOM 0 HG22 THR A 23 5.863 16.947 1.613 1.00 33.13 H new ATOM 0 HG23 THR A 23 7.605 17.302 1.535 1.00 33.13 H new ATOM 333 N VAL A 24 5.514 13.992 -1.484 1.00 55.44 N ATOM 334 CA VAL A 24 5.103 13.204 -2.640 1.00 43.35 C ATOM 335 C VAL A 24 5.757 13.720 -3.917 1.00 42.33 C ATOM 336 O VAL A 24 6.024 12.956 -4.843 1.00 61.44 O ATOM 337 CB VAL A 24 3.573 13.221 -2.817 1.00 44.41 C ATOM 338 CG1 VAL A 24 3.093 14.618 -3.182 1.00 23.04 C ATOM 339 CG2 VAL A 24 3.148 12.210 -3.871 1.00 52.52 C ATOM 0 H VAL A 24 4.742 14.337 -0.913 1.00 55.44 H new ATOM 0 HA VAL A 24 5.428 12.180 -2.456 1.00 43.35 H new ATOM 0 HB VAL A 24 3.112 12.940 -1.870 1.00 44.41 H new ATOM 0 HG11 VAL A 24 2.010 14.610 -3.303 1.00 23.04 H new ATOM 0 HG12 VAL A 24 3.365 15.315 -2.389 1.00 23.04 H new ATOM 0 HG13 VAL A 24 3.560 14.931 -4.116 1.00 23.04 H new ATOM 0 HG21 VAL A 24 2.064 12.235 -3.983 1.00 52.52 H new ATOM 0 HG22 VAL A 24 3.617 12.458 -4.823 1.00 52.52 H new ATOM 0 HG23 VAL A 24 3.458 11.211 -3.563 1.00 52.52 H new ATOM 349 N GLY A 25 6.014 15.024 -3.959 1.00 55.44 N ATOM 350 CA GLY A 25 6.635 15.621 -5.127 1.00 72.04 C ATOM 351 C GLY A 25 8.051 15.127 -5.346 1.00 41.45 C ATOM 352 O GLY A 25 8.466 14.894 -6.482 1.00 34.33 O ATOM 0 H GLY A 25 5.803 15.678 -3.205 1.00 55.44 H new ATOM 0 HA2 GLY A 25 6.035 15.397 -6.009 1.00 72.04 H new ATOM 0 HA3 GLY A 25 6.645 16.705 -5.015 1.00 72.04 H new ATOM 356 N SER A 26 8.796 14.970 -4.257 1.00 64.12 N ATOM 357 CA SER A 26 10.177 14.506 -4.336 1.00 13.21 C ATOM 358 C SER A 26 10.233 13.033 -4.730 1.00 5.43 C ATOM 359 O SER A 26 11.163 12.597 -5.408 1.00 65.44 O ATOM 360 CB SER A 26 10.884 14.715 -2.996 1.00 4.23 C ATOM 361 OG SER A 26 12.279 14.890 -3.177 1.00 51.22 O ATOM 0 H SER A 26 8.467 15.157 -3.310 1.00 64.12 H new ATOM 0 HA SER A 26 10.688 15.089 -5.103 1.00 13.21 H new ATOM 0 HB2 SER A 26 10.467 15.588 -2.494 1.00 4.23 H new ATOM 0 HB3 SER A 26 10.703 13.857 -2.348 1.00 4.23 H new ATOM 0 HG SER A 26 12.725 14.018 -3.141 1.00 51.22 H new ATOM 367 N ILE A 27 9.232 12.273 -4.299 1.00 4.33 N ATOM 368 CA ILE A 27 9.167 10.850 -4.607 1.00 2.15 C ATOM 369 C ILE A 27 9.110 10.615 -6.112 1.00 43.42 C ATOM 370 O ILE A 27 9.933 9.887 -6.668 1.00 50.34 O ATOM 371 CB ILE A 27 7.943 10.187 -3.948 1.00 54.44 C ATOM 372 CG1 ILE A 27 7.928 10.472 -2.445 1.00 55.42 C ATOM 373 CG2 ILE A 27 7.948 8.688 -4.209 1.00 12.52 C ATOM 374 CD1 ILE A 27 9.097 9.865 -1.703 1.00 63.42 C ATOM 0 H ILE A 27 8.455 12.619 -3.736 1.00 4.33 H new ATOM 0 HA ILE A 27 10.074 10.399 -4.206 1.00 2.15 H new ATOM 0 HB ILE A 27 7.039 10.609 -4.387 1.00 54.44 H new ATOM 0 HG12 ILE A 27 7.929 11.551 -2.288 1.00 55.42 H new ATOM 0 HG13 ILE A 27 7.000 10.089 -2.020 1.00 55.42 H new ATOM 0 HG21 ILE A 27 7.077 8.234 -3.737 1.00 12.52 H new ATOM 0 HG22 ILE A 27 7.915 8.506 -5.283 1.00 12.52 H new ATOM 0 HG23 ILE A 27 8.856 8.249 -3.794 1.00 12.52 H new ATOM 0 HD11 ILE A 27 9.021 10.108 -0.643 1.00 63.42 H new ATOM 0 HD12 ILE A 27 9.085 8.782 -1.829 1.00 63.42 H new ATOM 0 HD13 ILE A 27 10.029 10.267 -2.101 1.00 63.42 H new ATOM 386 N ILE A 28 8.135 11.238 -6.766 1.00 65.00 N ATOM 387 CA ILE A 28 7.973 11.099 -8.208 1.00 4.11 C ATOM 388 C ILE A 28 9.268 11.431 -8.941 1.00 45.22 C ATOM 389 O ILE A 28 9.580 10.836 -9.973 1.00 21.04 O ATOM 390 CB ILE A 28 6.849 12.008 -8.738 1.00 52.11 C ATOM 391 CG1 ILE A 28 5.520 11.656 -8.067 1.00 13.32 C ATOM 392 CG2 ILE A 28 6.735 11.882 -10.250 1.00 14.20 C ATOM 393 CD1 ILE A 28 4.419 12.655 -8.346 1.00 13.42 C ATOM 0 H ILE A 28 7.446 11.844 -6.320 1.00 65.00 H new ATOM 0 HA ILE A 28 7.708 10.059 -8.397 1.00 4.11 H new ATOM 0 HB ILE A 28 7.094 13.042 -8.496 1.00 52.11 H new ATOM 0 HG12 ILE A 28 5.200 10.671 -8.407 1.00 13.32 H new ATOM 0 HG13 ILE A 28 5.673 11.587 -6.990 1.00 13.32 H new ATOM 0 HG21 ILE A 28 5.936 12.530 -10.610 1.00 14.20 H new ATOM 0 HG22 ILE A 28 7.677 12.177 -10.712 1.00 14.20 H new ATOM 0 HG23 ILE A 28 6.510 10.849 -10.513 1.00 14.20 H new ATOM 0 HD11 ILE A 28 3.506 12.342 -7.839 1.00 13.42 H new ATOM 0 HD12 ILE A 28 4.718 13.637 -7.981 1.00 13.42 H new ATOM 0 HD13 ILE A 28 4.238 12.707 -9.420 1.00 13.42 H new ATOM 405 N SER A 29 10.020 12.385 -8.401 1.00 25.34 N ATOM 406 CA SER A 29 11.282 12.798 -9.004 1.00 71.23 C ATOM 407 C SER A 29 12.286 11.650 -9.003 1.00 65.43 C ATOM 408 O SER A 29 13.137 11.554 -9.889 1.00 32.12 O ATOM 409 CB SER A 29 11.862 13.998 -8.254 1.00 53.51 C ATOM 410 OG SER A 29 12.962 14.553 -8.953 1.00 4.51 O ATOM 0 H SER A 29 9.777 12.887 -7.547 1.00 25.34 H new ATOM 0 HA SER A 29 11.085 13.085 -10.037 1.00 71.23 H new ATOM 0 HB2 SER A 29 11.090 14.757 -8.123 1.00 53.51 H new ATOM 0 HB3 SER A 29 12.178 13.690 -7.258 1.00 53.51 H new ATOM 0 HG SER A 29 13.314 15.319 -8.454 1.00 4.51 H new ATOM 416 N ILE A 30 12.182 10.781 -8.003 1.00 54.13 N ATOM 417 CA ILE A 30 13.079 9.639 -7.887 1.00 24.21 C ATOM 418 C ILE A 30 12.808 8.612 -8.981 1.00 51.44 C ATOM 419 O ILE A 30 13.679 8.317 -9.800 1.00 61.55 O ATOM 420 CB ILE A 30 12.946 8.955 -6.513 1.00 53.32 C ATOM 421 CG1 ILE A 30 13.251 9.951 -5.392 1.00 65.41 C ATOM 422 CG2 ILE A 30 13.873 7.752 -6.428 1.00 33.11 C ATOM 423 CD1 ILE A 30 14.678 10.452 -5.402 1.00 5.30 C ATOM 0 H ILE A 30 11.485 10.847 -7.261 1.00 54.13 H new ATOM 0 HA ILE A 30 14.093 10.024 -7.996 1.00 24.21 H new ATOM 0 HB ILE A 30 11.920 8.607 -6.394 1.00 53.32 H new ATOM 0 HG12 ILE A 30 12.575 10.802 -5.479 1.00 65.41 H new ATOM 0 HG13 ILE A 30 13.047 9.478 -4.431 1.00 65.41 H new ATOM 0 HG21 ILE A 30 13.767 7.280 -5.451 1.00 33.11 H new ATOM 0 HG22 ILE A 30 13.612 7.036 -7.208 1.00 33.11 H new ATOM 0 HG23 ILE A 30 14.904 8.077 -6.564 1.00 33.11 H new ATOM 0 HD11 ILE A 30 14.823 11.154 -4.581 1.00 5.30 H new ATOM 0 HD12 ILE A 30 15.360 9.610 -5.284 1.00 5.30 H new ATOM 0 HD13 ILE A 30 14.881 10.954 -6.348 1.00 5.30 H new ATOM 435 N LEU A 31 11.594 8.073 -8.991 1.00 51.20 N ATOM 436 CA LEU A 31 11.206 7.080 -9.987 1.00 15.32 C ATOM 437 C LEU A 31 11.243 7.674 -11.391 1.00 54.33 C ATOM 438 O LEU A 31 11.718 7.040 -12.332 1.00 50.22 O ATOM 439 CB LEU A 31 9.805 6.546 -9.684 1.00 33.14 C ATOM 440 CG LEU A 31 9.717 5.465 -8.606 1.00 25.22 C ATOM 441 CD1 LEU A 31 9.747 6.090 -7.220 1.00 22.55 C ATOM 442 CD2 LEU A 31 8.459 4.629 -8.789 1.00 41.13 C ATOM 0 H LEU A 31 10.861 8.307 -8.321 1.00 51.20 H new ATOM 0 HA LEU A 31 11.920 6.257 -9.941 1.00 15.32 H new ATOM 0 HB2 LEU A 31 9.176 7.384 -9.382 1.00 33.14 H new ATOM 0 HB3 LEU A 31 9.383 6.146 -10.606 1.00 33.14 H new ATOM 0 HG LEU A 31 10.582 4.809 -8.705 1.00 25.22 H new ATOM 0 HD11 LEU A 31 9.683 5.306 -6.466 1.00 22.55 H new ATOM 0 HD12 LEU A 31 10.677 6.643 -7.090 1.00 22.55 H new ATOM 0 HD13 LEU A 31 8.902 6.770 -7.109 1.00 22.55 H new ATOM 0 HD21 LEU A 31 8.414 3.865 -8.013 1.00 41.13 H new ATOM 0 HD22 LEU A 31 7.581 5.272 -8.717 1.00 41.13 H new ATOM 0 HD23 LEU A 31 8.479 4.151 -9.768 1.00 41.13 H new ATOM 454 N GLY A 32 10.739 8.898 -11.525 1.00 20.35 N ATOM 455 CA GLY A 32 10.726 9.558 -12.817 1.00 21.11 C ATOM 456 C GLY A 32 10.147 8.682 -13.910 1.00 34.23 C ATOM 457 O GLY A 32 10.809 8.403 -14.908 1.00 50.13 O ATOM 0 H GLY A 32 10.340 9.444 -10.761 1.00 20.35 H new ATOM 0 HA2 GLY A 32 10.144 10.477 -12.746 1.00 21.11 H new ATOM 0 HA3 GLY A 32 11.743 9.844 -13.086 1.00 21.11 H new ATOM 461 N GLY A 33 8.905 8.244 -13.720 1.00 4.32 N ATOM 462 CA GLY A 33 8.258 7.397 -14.705 1.00 5.51 C ATOM 463 C GLY A 33 6.758 7.608 -14.755 1.00 21.35 C ATOM 464 O GLY A 33 6.271 8.715 -14.525 1.00 61.12 O ATOM 0 H GLY A 33 8.336 8.461 -12.902 1.00 4.32 H new ATOM 0 HA2 GLY A 33 8.683 7.598 -15.688 1.00 5.51 H new ATOM 0 HA3 GLY A 33 8.467 6.352 -14.475 1.00 5.51 H new ATOM 468 N VAL A 34 6.022 6.543 -15.057 1.00 25.55 N ATOM 469 CA VAL A 34 4.568 6.615 -15.136 1.00 45.34 C ATOM 470 C VAL A 34 3.941 6.603 -13.747 1.00 75.42 C ATOM 471 O VAL A 34 2.721 6.692 -13.604 1.00 13.44 O ATOM 472 CB VAL A 34 3.992 5.447 -15.959 1.00 3.51 C ATOM 473 CG1 VAL A 34 4.551 5.464 -17.374 1.00 14.13 C ATOM 474 CG2 VAL A 34 4.286 4.120 -15.277 1.00 21.14 C ATOM 0 H VAL A 34 6.409 5.620 -15.251 1.00 25.55 H new ATOM 0 HA VAL A 34 4.324 7.554 -15.633 1.00 45.34 H new ATOM 0 HB VAL A 34 2.910 5.567 -16.020 1.00 3.51 H new ATOM 0 HG11 VAL A 34 4.133 4.632 -17.940 1.00 14.13 H new ATOM 0 HG12 VAL A 34 4.285 6.403 -17.859 1.00 14.13 H new ATOM 0 HG13 VAL A 34 5.636 5.369 -17.338 1.00 14.13 H new ATOM 0 HG21 VAL A 34 3.872 3.306 -15.872 1.00 21.14 H new ATOM 0 HG22 VAL A 34 5.364 3.990 -15.184 1.00 21.14 H new ATOM 0 HG23 VAL A 34 3.833 4.112 -14.286 1.00 21.14 H new ATOM 484 N THR A 35 4.782 6.491 -12.724 1.00 62.12 N ATOM 485 CA THR A 35 4.310 6.466 -11.345 1.00 64.35 C ATOM 486 C THR A 35 3.967 7.868 -10.856 1.00 53.03 C ATOM 487 O THR A 35 3.502 8.047 -9.731 1.00 12.25 O ATOM 488 CB THR A 35 5.361 5.849 -10.403 1.00 62.22 C ATOM 489 OG1 THR A 35 6.555 6.640 -10.415 1.00 73.14 O ATOM 490 CG2 THR A 35 5.688 4.422 -10.818 1.00 2.04 C ATOM 0 H THR A 35 5.794 6.416 -12.824 1.00 62.12 H new ATOM 0 HA THR A 35 3.412 5.849 -11.329 1.00 64.35 H new ATOM 0 HB THR A 35 4.947 5.832 -9.395 1.00 62.22 H new ATOM 0 HG1 THR A 35 6.651 7.100 -9.555 1.00 73.14 H new ATOM 0 HG21 THR A 35 6.432 4.007 -10.138 1.00 2.04 H new ATOM 0 HG22 THR A 35 4.783 3.815 -10.779 1.00 2.04 H new ATOM 0 HG23 THR A 35 6.083 4.420 -11.834 1.00 2.04 H new ATOM 498 N VAL A 36 4.198 8.861 -11.710 1.00 32.34 N ATOM 499 CA VAL A 36 3.911 10.248 -11.365 1.00 33.14 C ATOM 500 C VAL A 36 2.452 10.423 -10.958 1.00 73.55 C ATOM 501 O VAL A 36 2.106 11.353 -10.231 1.00 71.42 O ATOM 502 CB VAL A 36 4.222 11.194 -12.539 1.00 41.41 C ATOM 503 CG1 VAL A 36 3.474 10.758 -13.789 1.00 54.44 C ATOM 504 CG2 VAL A 36 3.875 12.629 -12.173 1.00 14.41 C ATOM 0 H VAL A 36 4.583 8.730 -12.645 1.00 32.34 H new ATOM 0 HA VAL A 36 4.553 10.504 -10.522 1.00 33.14 H new ATOM 0 HB VAL A 36 5.290 11.145 -12.749 1.00 41.41 H new ATOM 0 HG11 VAL A 36 3.706 11.439 -14.608 1.00 54.44 H new ATOM 0 HG12 VAL A 36 3.777 9.747 -14.060 1.00 54.44 H new ATOM 0 HG13 VAL A 36 2.401 10.776 -13.596 1.00 54.44 H new ATOM 0 HG21 VAL A 36 4.101 13.284 -13.014 1.00 14.41 H new ATOM 0 HG22 VAL A 36 2.813 12.697 -11.935 1.00 14.41 H new ATOM 0 HG23 VAL A 36 4.461 12.936 -11.307 1.00 14.41 H new ATOM 514 N GLY A 37 1.599 9.520 -11.434 1.00 14.13 N ATOM 515 CA GLY A 37 0.186 9.592 -11.109 1.00 71.32 C ATOM 516 C GLY A 37 -0.165 8.796 -9.868 1.00 2.04 C ATOM 517 O GLY A 37 -1.070 9.167 -9.118 1.00 63.35 O ATOM 0 H GLY A 37 1.861 8.741 -12.038 1.00 14.13 H new ATOM 0 HA2 GLY A 37 -0.097 10.634 -10.960 1.00 71.32 H new ATOM 0 HA3 GLY A 37 -0.397 9.221 -11.952 1.00 71.32 H new ATOM 521 N LEU A 38 0.551 7.699 -9.649 1.00 32.54 N ATOM 522 CA LEU A 38 0.310 6.846 -8.489 1.00 54.43 C ATOM 523 C LEU A 38 0.655 7.577 -7.195 1.00 61.44 C ATOM 524 O LEU A 38 0.182 7.211 -6.119 1.00 42.13 O ATOM 525 CB LEU A 38 1.130 5.560 -8.597 1.00 45.23 C ATOM 526 CG LEU A 38 0.547 4.464 -9.490 1.00 13.42 C ATOM 527 CD1 LEU A 38 -0.830 4.049 -8.994 1.00 3.00 C ATOM 528 CD2 LEU A 38 0.475 4.935 -10.935 1.00 44.21 C ATOM 0 H LEU A 38 1.303 7.379 -10.259 1.00 32.54 H new ATOM 0 HA LEU A 38 -0.750 6.592 -8.469 1.00 54.43 H new ATOM 0 HB2 LEU A 38 2.122 5.816 -8.970 1.00 45.23 H new ATOM 0 HB3 LEU A 38 1.262 5.152 -7.595 1.00 45.23 H new ATOM 0 HG LEU A 38 1.205 3.596 -9.444 1.00 13.42 H new ATOM 0 HD11 LEU A 38 -1.230 3.268 -9.641 1.00 3.00 H new ATOM 0 HD12 LEU A 38 -0.751 3.670 -7.975 1.00 3.00 H new ATOM 0 HD13 LEU A 38 -1.497 4.911 -9.010 1.00 3.00 H new ATOM 0 HD21 LEU A 38 0.058 4.142 -11.556 1.00 44.21 H new ATOM 0 HD22 LEU A 38 -0.161 5.818 -10.999 1.00 44.21 H new ATOM 0 HD23 LEU A 38 1.476 5.183 -11.287 1.00 44.21 H new ATOM 540 N SER A 39 1.481 8.612 -7.309 1.00 22.23 N ATOM 541 CA SER A 39 1.891 9.393 -6.148 1.00 25.14 C ATOM 542 C SER A 39 0.680 9.990 -5.439 1.00 54.41 C ATOM 543 O SER A 39 0.742 10.331 -4.258 1.00 71.55 O ATOM 544 CB SER A 39 2.851 10.508 -6.570 1.00 33.45 C ATOM 545 OG SER A 39 2.185 11.757 -6.633 1.00 34.30 O ATOM 0 H SER A 39 1.879 8.929 -8.193 1.00 22.23 H new ATOM 0 HA SER A 39 2.403 8.726 -5.455 1.00 25.14 H new ATOM 0 HB2 SER A 39 3.677 10.568 -5.862 1.00 33.45 H new ATOM 0 HB3 SER A 39 3.282 10.272 -7.543 1.00 33.45 H new ATOM 0 HG SER A 39 1.567 11.760 -7.394 1.00 34.30 H new ATOM 551 N GLY A 40 -0.424 10.115 -6.171 1.00 2.25 N ATOM 552 CA GLY A 40 -1.635 10.672 -5.597 1.00 31.32 C ATOM 553 C GLY A 40 -2.053 9.962 -4.324 1.00 2.40 C ATOM 554 O GLY A 40 -2.719 10.546 -3.469 1.00 5.41 O ATOM 0 H GLY A 40 -0.501 9.841 -7.150 1.00 2.25 H new ATOM 0 HA2 GLY A 40 -1.480 11.730 -5.385 1.00 31.32 H new ATOM 0 HA3 GLY A 40 -2.442 10.608 -6.327 1.00 31.32 H new ATOM 558 N VAL A 41 -1.663 8.698 -4.198 1.00 24.14 N ATOM 559 CA VAL A 41 -2.001 7.907 -3.020 1.00 51.42 C ATOM 560 C VAL A 41 -0.893 7.975 -1.975 1.00 41.45 C ATOM 561 O VAL A 41 -1.119 7.704 -0.796 1.00 72.31 O ATOM 562 CB VAL A 41 -2.255 6.433 -3.388 1.00 13.41 C ATOM 563 CG1 VAL A 41 -3.336 6.327 -4.453 1.00 14.34 C ATOM 564 CG2 VAL A 41 -0.968 5.772 -3.856 1.00 22.12 C ATOM 0 H VAL A 41 -1.113 8.199 -4.897 1.00 24.14 H new ATOM 0 HA VAL A 41 -2.914 8.333 -2.604 1.00 51.42 H new ATOM 0 HB VAL A 41 -2.603 5.909 -2.498 1.00 13.41 H new ATOM 0 HG11 VAL A 41 -3.502 5.278 -4.700 1.00 14.34 H new ATOM 0 HG12 VAL A 41 -4.262 6.762 -4.076 1.00 14.34 H new ATOM 0 HG13 VAL A 41 -3.020 6.865 -5.347 1.00 14.34 H new ATOM 0 HG21 VAL A 41 -1.166 4.731 -4.112 1.00 22.12 H new ATOM 0 HG22 VAL A 41 -0.588 6.296 -4.733 1.00 22.12 H new ATOM 0 HG23 VAL A 41 -0.226 5.815 -3.059 1.00 22.12 H new ATOM 574 N PHE A 42 0.306 8.340 -2.416 1.00 45.31 N ATOM 575 CA PHE A 42 1.452 8.444 -1.519 1.00 75.11 C ATOM 576 C PHE A 42 1.145 9.376 -0.351 1.00 13.51 C ATOM 577 O PHE A 42 1.550 9.123 0.784 1.00 14.53 O ATOM 578 CB PHE A 42 2.679 8.949 -2.281 1.00 31.24 C ATOM 579 CG PHE A 42 3.979 8.445 -1.723 1.00 64.22 C ATOM 580 CD1 PHE A 42 4.623 9.128 -0.704 1.00 14.31 C ATOM 581 CD2 PHE A 42 4.558 7.287 -2.218 1.00 43.40 C ATOM 582 CE1 PHE A 42 5.820 8.667 -0.190 1.00 12.11 C ATOM 583 CE2 PHE A 42 5.755 6.821 -1.708 1.00 2.04 C ATOM 584 CZ PHE A 42 6.386 7.511 -0.691 1.00 41.45 C ATOM 0 H PHE A 42 0.510 8.569 -3.389 1.00 45.31 H new ATOM 0 HA PHE A 42 1.663 7.451 -1.123 1.00 75.11 H new ATOM 0 HB2 PHE A 42 2.599 8.646 -3.325 1.00 31.24 H new ATOM 0 HB3 PHE A 42 2.684 10.039 -2.265 1.00 31.24 H new ATOM 0 HD1 PHE A 42 4.184 10.031 -0.307 1.00 14.31 H new ATOM 0 HD2 PHE A 42 4.068 6.742 -3.012 1.00 43.40 H new ATOM 0 HE1 PHE A 42 6.313 9.210 0.603 1.00 12.11 H new ATOM 0 HE2 PHE A 42 6.197 5.918 -2.104 1.00 2.04 H new ATOM 0 HZ PHE A 42 7.320 7.147 -0.289 1.00 41.45 H new ATOM 594 N THR A 43 0.426 10.458 -0.637 1.00 60.35 N ATOM 595 CA THR A 43 0.066 11.430 0.387 1.00 33.51 C ATOM 596 C THR A 43 -0.729 10.775 1.511 1.00 60.40 C ATOM 597 O THR A 43 -0.437 10.976 2.689 1.00 13.44 O ATOM 598 CB THR A 43 -0.761 12.588 -0.203 1.00 64.21 C ATOM 599 OG1 THR A 43 -0.109 13.112 -1.365 1.00 61.15 O ATOM 600 CG2 THR A 43 -0.948 13.696 0.822 1.00 34.21 C ATOM 0 H THR A 43 0.082 10.682 -1.571 1.00 60.35 H new ATOM 0 HA THR A 43 0.999 11.827 0.788 1.00 33.51 H new ATOM 0 HB THR A 43 -1.742 12.201 -0.480 1.00 64.21 H new ATOM 0 HG1 THR A 43 -0.641 13.847 -1.736 1.00 61.15 H new ATOM 0 HG21 THR A 43 -1.535 14.503 0.383 1.00 34.21 H new ATOM 0 HG22 THR A 43 -1.470 13.301 1.694 1.00 34.21 H new ATOM 0 HG23 THR A 43 0.026 14.080 1.125 1.00 34.21 H new ATOM 608 N ALA A 44 -1.734 9.989 1.139 1.00 71.23 N ATOM 609 CA ALA A 44 -2.569 9.302 2.116 1.00 31.21 C ATOM 610 C ALA A 44 -1.765 8.263 2.892 1.00 54.54 C ATOM 611 O ALA A 44 -2.052 7.984 4.056 1.00 54.32 O ATOM 612 CB ALA A 44 -3.757 8.646 1.428 1.00 41.24 C ATOM 0 H ALA A 44 -1.990 9.812 0.167 1.00 71.23 H new ATOM 0 HA ALA A 44 -2.938 10.043 2.826 1.00 31.21 H new ATOM 0 HB1 ALA A 44 -4.372 8.137 2.170 1.00 41.24 H new ATOM 0 HB2 ALA A 44 -4.352 9.408 0.925 1.00 41.24 H new ATOM 0 HB3 ALA A 44 -3.399 7.923 0.695 1.00 41.24 H new ATOM 618 N VAL A 45 -0.758 7.693 2.239 1.00 43.44 N ATOM 619 CA VAL A 45 0.088 6.686 2.867 1.00 20.32 C ATOM 620 C VAL A 45 0.896 7.284 4.014 1.00 72.44 C ATOM 621 O VAL A 45 0.995 6.696 5.091 1.00 13.00 O ATOM 622 CB VAL A 45 1.054 6.050 1.850 1.00 61.20 C ATOM 623 CG1 VAL A 45 1.890 4.965 2.513 1.00 52.42 C ATOM 624 CG2 VAL A 45 0.285 5.491 0.663 1.00 73.42 C ATOM 0 H VAL A 45 -0.508 7.912 1.275 1.00 43.44 H new ATOM 0 HA VAL A 45 -0.576 5.915 3.257 1.00 20.32 H new ATOM 0 HB VAL A 45 1.730 6.823 1.485 1.00 61.20 H new ATOM 0 HG11 VAL A 45 2.566 4.527 1.779 1.00 52.42 H new ATOM 0 HG12 VAL A 45 2.470 5.399 3.327 1.00 52.42 H new ATOM 0 HG13 VAL A 45 1.233 4.190 2.908 1.00 52.42 H new ATOM 0 HG21 VAL A 45 0.983 5.045 -0.046 1.00 73.42 H new ATOM 0 HG22 VAL A 45 -0.416 4.731 1.009 1.00 73.42 H new ATOM 0 HG23 VAL A 45 -0.264 6.295 0.174 1.00 73.42 H new ATOM 634 N LYS A 46 1.472 8.457 3.775 1.00 23.30 N ATOM 635 CA LYS A 46 2.271 9.137 4.787 1.00 11.34 C ATOM 636 C LYS A 46 1.482 9.303 6.082 1.00 31.33 C ATOM 637 O LYS A 46 1.978 8.997 7.166 1.00 45.20 O ATOM 638 CB LYS A 46 2.723 10.507 4.275 1.00 74.44 C ATOM 639 CG LYS A 46 4.044 10.971 4.863 1.00 70.45 C ATOM 640 CD LYS A 46 3.837 11.770 6.138 1.00 13.00 C ATOM 641 CE LYS A 46 5.162 12.208 6.743 1.00 53.43 C ATOM 642 NZ LYS A 46 5.833 13.247 5.913 1.00 1.24 N ATOM 0 H LYS A 46 1.400 8.957 2.889 1.00 23.30 H new ATOM 0 HA LYS A 46 3.149 8.524 4.992 1.00 11.34 H new ATOM 0 HB2 LYS A 46 2.812 10.468 3.189 1.00 74.44 H new ATOM 0 HB3 LYS A 46 1.954 11.244 4.506 1.00 74.44 H new ATOM 0 HG2 LYS A 46 4.674 10.106 5.073 1.00 70.45 H new ATOM 0 HG3 LYS A 46 4.574 11.582 4.132 1.00 70.45 H new ATOM 0 HD2 LYS A 46 3.226 12.647 5.924 1.00 13.00 H new ATOM 0 HD3 LYS A 46 3.287 11.167 6.861 1.00 13.00 H new ATOM 0 HE2 LYS A 46 4.992 12.598 7.746 1.00 53.43 H new ATOM 0 HE3 LYS A 46 5.819 11.344 6.844 1.00 53.43 H new ATOM 0 HZ1 LYS A 46 6.689 13.581 6.400 1.00 1.24 H new ATOM 0 HZ2 LYS A 46 6.094 12.840 4.992 1.00 1.24 H new ATOM 0 HZ3 LYS A 46 5.184 14.047 5.767 1.00 1.24 H new ATOM 656 N ALA A 47 0.250 9.787 5.962 1.00 70.45 N ATOM 657 CA ALA A 47 -0.608 9.989 7.122 1.00 35.31 C ATOM 658 C ALA A 47 -0.858 8.675 7.855 1.00 15.35 C ATOM 659 O ALA A 47 -1.043 8.658 9.072 1.00 5.21 O ATOM 660 CB ALA A 47 -1.927 10.619 6.700 1.00 73.14 C ATOM 0 H ALA A 47 -0.176 10.046 5.072 1.00 70.45 H new ATOM 0 HA ALA A 47 -0.098 10.666 7.807 1.00 35.31 H new ATOM 0 HB1 ALA A 47 -2.558 10.764 7.577 1.00 73.14 H new ATOM 0 HB2 ALA A 47 -1.735 11.582 6.227 1.00 73.14 H new ATOM 0 HB3 ALA A 47 -2.434 9.963 5.993 1.00 73.14 H new ATOM 666 N ALA A 48 -0.864 7.577 7.107 1.00 34.02 N ATOM 667 CA ALA A 48 -1.091 6.259 7.687 1.00 24.10 C ATOM 668 C ALA A 48 -0.044 5.940 8.750 1.00 75.34 C ATOM 669 O ALA A 48 -0.349 5.315 9.766 1.00 34.00 O ATOM 670 CB ALA A 48 -1.082 5.195 6.599 1.00 12.31 C ATOM 0 H ALA A 48 -0.714 7.574 6.098 1.00 34.02 H new ATOM 0 HA ALA A 48 -2.069 6.264 8.167 1.00 24.10 H new ATOM 0 HB1 ALA A 48 -1.253 4.216 7.046 1.00 12.31 H new ATOM 0 HB2 ALA A 48 -1.871 5.406 5.877 1.00 12.31 H new ATOM 0 HB3 ALA A 48 -0.116 5.200 6.094 1.00 12.31 H new ATOM 676 N ILE A 49 1.189 6.371 8.508 1.00 54.43 N ATOM 677 CA ILE A 49 2.279 6.131 9.445 1.00 41.43 C ATOM 678 C ILE A 49 1.946 6.680 10.828 1.00 61.00 C ATOM 679 O ILE A 49 1.976 5.952 11.819 1.00 25.25 O ATOM 680 CB ILE A 49 3.593 6.768 8.955 1.00 52.53 C ATOM 681 CG1 ILE A 49 3.974 6.212 7.581 1.00 32.03 C ATOM 682 CG2 ILE A 49 4.708 6.522 9.960 1.00 50.30 C ATOM 683 CD1 ILE A 49 5.043 7.019 6.878 1.00 72.41 C ATOM 0 H ILE A 49 1.458 6.888 7.671 1.00 54.43 H new ATOM 0 HA ILE A 49 2.409 5.051 9.507 1.00 41.43 H new ATOM 0 HB ILE A 49 3.445 7.844 8.862 1.00 52.53 H new ATOM 0 HG12 ILE A 49 4.322 5.186 7.697 1.00 32.03 H new ATOM 0 HG13 ILE A 49 3.084 6.177 6.953 1.00 32.03 H new ATOM 0 HG21 ILE A 49 5.630 6.978 9.599 1.00 50.30 H new ATOM 0 HG22 ILE A 49 4.437 6.962 10.920 1.00 50.30 H new ATOM 0 HG23 ILE A 49 4.858 5.449 10.082 1.00 50.30 H new ATOM 0 HD11 ILE A 49 5.263 6.567 5.911 1.00 72.41 H new ATOM 0 HD12 ILE A 49 4.690 8.040 6.730 1.00 72.41 H new ATOM 0 HD13 ILE A 49 5.948 7.033 7.486 1.00 72.41 H new ATOM 695 N ALA A 50 1.626 7.969 10.886 1.00 25.32 N ATOM 696 CA ALA A 50 1.284 8.614 12.147 1.00 14.52 C ATOM 697 C ALA A 50 -0.008 8.044 12.723 1.00 62.50 C ATOM 698 O ALA A 50 -0.246 8.112 13.929 1.00 51.20 O ATOM 699 CB ALA A 50 1.158 10.118 11.953 1.00 54.32 C ATOM 0 H ALA A 50 1.597 8.586 10.075 1.00 25.32 H new ATOM 0 HA ALA A 50 2.087 8.415 12.857 1.00 14.52 H new ATOM 0 HB1 ALA A 50 0.902 10.587 12.903 1.00 54.32 H new ATOM 0 HB2 ALA A 50 2.106 10.519 11.594 1.00 54.32 H new ATOM 0 HB3 ALA A 50 0.376 10.326 11.223 1.00 54.32 H new ATOM 705 N LYS A 51 -0.840 7.480 11.853 1.00 3.34 N ATOM 706 CA LYS A 51 -2.108 6.896 12.275 1.00 44.44 C ATOM 707 C LYS A 51 -1.889 5.536 12.929 1.00 74.23 C ATOM 708 O LYS A 51 -2.567 5.187 13.895 1.00 23.40 O ATOM 709 CB LYS A 51 -3.050 6.753 11.077 1.00 4.11 C ATOM 710 CG LYS A 51 -4.410 6.183 11.438 1.00 32.22 C ATOM 711 CD LYS A 51 -5.112 5.602 10.222 1.00 11.11 C ATOM 712 CE LYS A 51 -6.082 4.497 10.613 1.00 44.22 C ATOM 713 NZ LYS A 51 -7.131 4.986 11.550 1.00 24.43 N ATOM 0 H LYS A 51 -0.659 7.415 10.851 1.00 3.34 H new ATOM 0 HA LYS A 51 -2.561 7.563 13.008 1.00 44.44 H new ATOM 0 HB2 LYS A 51 -3.186 7.730 10.614 1.00 4.11 H new ATOM 0 HB3 LYS A 51 -2.582 6.110 10.332 1.00 4.11 H new ATOM 0 HG2 LYS A 51 -4.291 5.408 12.195 1.00 32.22 H new ATOM 0 HG3 LYS A 51 -5.029 6.966 11.877 1.00 32.22 H new ATOM 0 HD2 LYS A 51 -5.651 6.392 9.699 1.00 11.11 H new ATOM 0 HD3 LYS A 51 -4.371 5.208 9.527 1.00 11.11 H new ATOM 0 HE2 LYS A 51 -6.554 4.095 9.717 1.00 44.22 H new ATOM 0 HE3 LYS A 51 -5.532 3.679 11.078 1.00 44.22 H new ATOM 0 HZ1 LYS A 51 -7.839 4.239 11.699 1.00 24.43 H new ATOM 0 HZ2 LYS A 51 -6.694 5.236 12.460 1.00 24.43 H new ATOM 0 HZ3 LYS A 51 -7.594 5.825 11.146 1.00 24.43 H new ATOM 727 N GLN A 52 -0.939 4.774 12.396 1.00 35.23 N ATOM 728 CA GLN A 52 -0.633 3.452 12.930 1.00 65.01 C ATOM 729 C GLN A 52 0.873 3.261 13.078 1.00 3.13 C ATOM 730 O GLN A 52 1.391 3.171 14.191 1.00 61.24 O ATOM 731 CB GLN A 52 -1.209 2.365 12.021 1.00 52.31 C ATOM 732 CG GLN A 52 -2.685 2.091 12.261 1.00 11.21 C ATOM 733 CD GLN A 52 -2.959 1.548 13.649 1.00 33.55 C ATOM 734 OE1 GLN A 52 -2.230 0.690 14.148 1.00 4.33 O ATOM 735 NE2 GLN A 52 -4.016 2.045 14.282 1.00 23.51 N ATOM 0 H GLN A 52 -0.369 5.049 11.596 1.00 35.23 H new ATOM 0 HA GLN A 52 -1.091 3.371 13.916 1.00 65.01 H new ATOM 0 HB2 GLN A 52 -1.067 2.660 10.981 1.00 52.31 H new ATOM 0 HB3 GLN A 52 -0.648 1.443 12.171 1.00 52.31 H new ATOM 0 HG2 GLN A 52 -3.250 3.012 12.117 1.00 11.21 H new ATOM 0 HG3 GLN A 52 -3.044 1.378 11.519 1.00 11.21 H new ATOM 0 HE21 GLN A 52 -4.593 2.755 13.831 1.00 23.51 H new ATOM 0 HE22 GLN A 52 -4.250 1.717 15.219 1.00 23.51 H new ATOM 744 N GLY A 53 1.572 3.200 11.948 1.00 35.13 N ATOM 745 CA GLY A 53 3.011 3.019 11.975 1.00 42.43 C ATOM 746 C GLY A 53 3.585 2.732 10.601 1.00 12.23 C ATOM 747 O GLY A 53 2.879 2.248 9.716 1.00 43.33 O ATOM 0 H GLY A 53 1.167 3.273 11.015 1.00 35.13 H new ATOM 0 HA2 GLY A 53 3.479 3.916 12.381 1.00 42.43 H new ATOM 0 HA3 GLY A 53 3.258 2.198 12.648 1.00 42.43 H new ATOM 751 N ILE A 54 4.867 3.032 10.423 1.00 51.11 N ATOM 752 CA ILE A 54 5.534 2.803 9.147 1.00 10.42 C ATOM 753 C ILE A 54 5.321 1.373 8.664 1.00 21.22 C ATOM 754 O ILE A 54 5.246 1.116 7.462 1.00 34.04 O ATOM 755 CB ILE A 54 7.046 3.081 9.245 1.00 72.22 C ATOM 756 CG1 ILE A 54 7.658 2.288 10.401 1.00 64.41 C ATOM 757 CG2 ILE A 54 7.301 4.570 9.423 1.00 14.14 C ATOM 758 CD1 ILE A 54 9.151 2.484 10.544 1.00 3.13 C ATOM 0 H ILE A 54 5.464 3.434 11.146 1.00 51.11 H new ATOM 0 HA ILE A 54 5.091 3.495 8.430 1.00 10.42 H new ATOM 0 HB ILE A 54 7.520 2.760 8.318 1.00 72.22 H new ATOM 0 HG12 ILE A 54 7.170 2.582 11.331 1.00 64.41 H new ATOM 0 HG13 ILE A 54 7.451 1.228 10.254 1.00 64.41 H new ATOM 0 HG21 ILE A 54 8.374 4.750 9.491 1.00 14.14 H new ATOM 0 HG22 ILE A 54 6.895 5.113 8.570 1.00 14.14 H new ATOM 0 HG23 ILE A 54 6.817 4.915 10.337 1.00 14.14 H new ATOM 0 HD11 ILE A 54 9.517 1.892 11.383 1.00 3.13 H new ATOM 0 HD12 ILE A 54 9.649 2.163 9.629 1.00 3.13 H new ATOM 0 HD13 ILE A 54 9.364 3.538 10.723 1.00 3.13 H new ATOM 770 N LYS A 55 5.223 0.444 9.609 1.00 63.31 N ATOM 771 CA LYS A 55 5.016 -0.962 9.282 1.00 54.03 C ATOM 772 C LYS A 55 3.759 -1.144 8.437 1.00 34.12 C ATOM 773 O LYS A 55 3.750 -1.912 7.474 1.00 5.54 O ATOM 774 CB LYS A 55 4.908 -1.794 10.561 1.00 21.35 C ATOM 775 CG LYS A 55 3.814 -1.323 11.503 1.00 13.04 C ATOM 776 CD LYS A 55 3.932 -1.979 12.869 1.00 61.33 C ATOM 777 CE LYS A 55 3.364 -3.390 12.860 1.00 34.02 C ATOM 778 NZ LYS A 55 4.343 -4.380 12.332 1.00 40.53 N ATOM 0 H LYS A 55 5.284 0.640 10.608 1.00 63.31 H new ATOM 0 HA LYS A 55 5.874 -1.305 8.704 1.00 54.03 H new ATOM 0 HB2 LYS A 55 4.722 -2.834 10.293 1.00 21.35 H new ATOM 0 HB3 LYS A 55 5.864 -1.766 11.085 1.00 21.35 H new ATOM 0 HG2 LYS A 55 3.869 -0.240 11.613 1.00 13.04 H new ATOM 0 HG3 LYS A 55 2.839 -1.551 11.072 1.00 13.04 H new ATOM 0 HD2 LYS A 55 4.979 -2.009 13.170 1.00 61.33 H new ATOM 0 HD3 LYS A 55 3.404 -1.378 13.609 1.00 61.33 H new ATOM 0 HE2 LYS A 55 3.074 -3.671 13.872 1.00 34.02 H new ATOM 0 HE3 LYS A 55 2.460 -3.413 12.251 1.00 34.02 H new ATOM 0 HZ1 LYS A 55 4.000 -4.759 11.426 1.00 40.53 H new ATOM 0 HZ2 LYS A 55 5.262 -3.916 12.187 1.00 40.53 H new ATOM 0 HZ3 LYS A 55 4.452 -5.158 13.014 1.00 40.53 H new ATOM 792 N LYS A 56 2.698 -0.433 8.803 1.00 55.33 N ATOM 793 CA LYS A 56 1.435 -0.513 8.078 1.00 61.04 C ATOM 794 C LYS A 56 1.579 0.056 6.670 1.00 63.34 C ATOM 795 O LYS A 56 0.962 -0.436 5.725 1.00 24.43 O ATOM 796 CB LYS A 56 0.340 0.242 8.834 1.00 32.23 C ATOM 797 CG LYS A 56 -0.904 0.503 8.003 1.00 52.32 C ATOM 798 CD LYS A 56 -1.534 -0.792 7.519 1.00 61.11 C ATOM 799 CE LYS A 56 -2.038 -1.635 8.680 1.00 2.14 C ATOM 800 NZ LYS A 56 -2.770 -2.844 8.212 1.00 64.22 N ATOM 0 H LYS A 56 2.687 0.206 9.598 1.00 55.33 H new ATOM 0 HA LYS A 56 1.156 -1.564 8.000 1.00 61.04 H new ATOM 0 HB2 LYS A 56 0.062 -0.329 9.720 1.00 32.23 H new ATOM 0 HB3 LYS A 56 0.741 1.194 9.182 1.00 32.23 H new ATOM 0 HG2 LYS A 56 -1.628 1.061 8.596 1.00 52.32 H new ATOM 0 HG3 LYS A 56 -0.646 1.126 7.146 1.00 52.32 H new ATOM 0 HD2 LYS A 56 -2.361 -0.566 6.846 1.00 61.11 H new ATOM 0 HD3 LYS A 56 -0.803 -1.361 6.945 1.00 61.11 H new ATOM 0 HE2 LYS A 56 -1.195 -1.939 9.301 1.00 2.14 H new ATOM 0 HE3 LYS A 56 -2.695 -1.033 9.307 1.00 2.14 H new ATOM 0 HZ1 LYS A 56 -3.097 -3.391 9.034 1.00 64.22 H new ATOM 0 HZ2 LYS A 56 -3.589 -2.554 7.641 1.00 64.22 H new ATOM 0 HZ3 LYS A 56 -2.136 -3.432 7.634 1.00 64.22 H new ATOM 814 N ALA A 57 2.399 1.094 6.537 1.00 73.55 N ATOM 815 CA ALA A 57 2.626 1.726 5.243 1.00 2.22 C ATOM 816 C ALA A 57 3.215 0.736 4.244 1.00 55.23 C ATOM 817 O ALA A 57 2.864 0.750 3.063 1.00 21.43 O ATOM 818 CB ALA A 57 3.543 2.930 5.399 1.00 44.22 C ATOM 0 H ALA A 57 2.917 1.514 7.309 1.00 73.55 H new ATOM 0 HA ALA A 57 1.664 2.062 4.856 1.00 2.22 H new ATOM 0 HB1 ALA A 57 3.705 3.393 4.425 1.00 44.22 H new ATOM 0 HB2 ALA A 57 3.083 3.653 6.073 1.00 44.22 H new ATOM 0 HB3 ALA A 57 4.499 2.608 5.811 1.00 44.22 H new ATOM 824 N ILE A 58 4.110 -0.120 4.723 1.00 20.14 N ATOM 825 CA ILE A 58 4.746 -1.117 3.871 1.00 2.21 C ATOM 826 C ILE A 58 3.707 -1.997 3.184 1.00 1.34 C ATOM 827 O ILE A 58 3.636 -2.046 1.957 1.00 71.02 O ATOM 828 CB ILE A 58 5.710 -2.011 4.673 1.00 10.03 C ATOM 829 CG1 ILE A 58 6.769 -1.157 5.373 1.00 23.01 C ATOM 830 CG2 ILE A 58 6.366 -3.035 3.760 1.00 63.42 C ATOM 831 CD1 ILE A 58 7.689 -1.953 6.273 1.00 42.44 C ATOM 0 H ILE A 58 4.412 -0.144 5.697 1.00 20.14 H new ATOM 0 HA ILE A 58 5.313 -0.571 3.116 1.00 2.21 H new ATOM 0 HB ILE A 58 5.140 -2.544 5.434 1.00 10.03 H new ATOM 0 HG12 ILE A 58 7.366 -0.643 4.620 1.00 23.01 H new ATOM 0 HG13 ILE A 58 6.272 -0.388 5.964 1.00 23.01 H new ATOM 0 HG21 ILE A 58 7.044 -3.659 4.342 1.00 63.42 H new ATOM 0 HG22 ILE A 58 5.599 -3.660 3.304 1.00 63.42 H new ATOM 0 HG23 ILE A 58 6.926 -2.520 2.979 1.00 63.42 H new ATOM 0 HD11 ILE A 58 8.414 -1.283 6.736 1.00 42.44 H new ATOM 0 HD12 ILE A 58 7.103 -2.445 7.049 1.00 42.44 H new ATOM 0 HD13 ILE A 58 8.214 -2.704 5.683 1.00 42.44 H new ATOM 843 N GLN A 59 2.903 -2.688 3.985 1.00 14.13 N ATOM 844 CA GLN A 59 1.866 -3.565 3.454 1.00 21.10 C ATOM 845 C GLN A 59 0.900 -2.790 2.565 1.00 51.34 C ATOM 846 O GLN A 59 0.289 -3.352 1.655 1.00 60.40 O ATOM 847 CB GLN A 59 1.101 -4.235 4.596 1.00 35.03 C ATOM 848 CG GLN A 59 1.912 -5.285 5.339 1.00 15.40 C ATOM 849 CD GLN A 59 1.826 -6.653 4.693 1.00 61.23 C ATOM 850 OE1 GLN A 59 0.766 -7.280 4.677 1.00 43.03 O ATOM 851 NE2 GLN A 59 2.945 -7.125 4.155 1.00 52.03 N ATOM 0 H GLN A 59 2.949 -2.658 5.003 1.00 14.13 H new ATOM 0 HA GLN A 59 2.350 -4.333 2.850 1.00 21.10 H new ATOM 0 HB2 GLN A 59 0.777 -3.471 5.303 1.00 35.03 H new ATOM 0 HB3 GLN A 59 0.200 -4.700 4.195 1.00 35.03 H new ATOM 0 HG2 GLN A 59 2.955 -4.971 5.379 1.00 15.40 H new ATOM 0 HG3 GLN A 59 1.559 -5.350 6.368 1.00 15.40 H new ATOM 0 HE21 GLN A 59 3.801 -6.572 4.191 1.00 52.03 H new ATOM 0 HE22 GLN A 59 2.948 -8.041 3.706 1.00 52.03 H new ATOM 860 N LEU A 60 0.766 -1.496 2.833 1.00 52.42 N ATOM 861 CA LEU A 60 -0.127 -0.642 2.057 1.00 40.23 C ATOM 862 C LEU A 60 0.362 -0.508 0.618 1.00 10.22 C ATOM 863 O LEU A 60 -0.432 -0.526 -0.322 1.00 61.23 O ATOM 864 CB LEU A 60 -0.232 0.741 2.703 1.00 62.23 C ATOM 865 CG LEU A 60 -1.628 1.164 3.160 1.00 74.04 C ATOM 866 CD1 LEU A 60 -2.568 1.277 1.969 1.00 30.02 C ATOM 867 CD2 LEU A 60 -2.176 0.179 4.182 1.00 12.23 C ATOM 0 H LEU A 60 1.264 -1.015 3.582 1.00 52.42 H new ATOM 0 HA LEU A 60 -1.113 -1.106 2.045 1.00 40.23 H new ATOM 0 HB2 LEU A 60 0.435 0.769 3.565 1.00 62.23 H new ATOM 0 HB3 LEU A 60 0.135 1.481 1.992 1.00 62.23 H new ATOM 0 HG LEU A 60 -1.553 2.143 3.633 1.00 74.04 H new ATOM 0 HD11 LEU A 60 -3.557 1.579 2.313 1.00 30.02 H new ATOM 0 HD12 LEU A 60 -2.184 2.021 1.272 1.00 30.02 H new ATOM 0 HD13 LEU A 60 -2.638 0.312 1.468 1.00 30.02 H new ATOM 0 HD21 LEU A 60 -3.170 0.496 4.496 1.00 12.23 H new ATOM 0 HD22 LEU A 60 -2.236 -0.813 3.735 1.00 12.23 H new ATOM 0 HD23 LEU A 60 -1.515 0.148 5.048 1.00 12.23 H new