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+ 121:sc= -0.0278 (180deg=-0.55) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.93) USER MOD Single : A 10 THR OG1 : rot 180:sc=-0.00183 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.353 K(o=-0.35,f=-1.6) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 26 SER OG : rot 145:sc= -2.02! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 82:sc= -2.47! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0488 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -162:sc= -0.0371 (180deg=-0.268) USER MOD Single : A 52 GLN : amide:sc= -0.0457 K(o=-0.046,f=-1.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 146:sc= -0.294 (180deg=-1.6!) USER MOD Single : A 59 GLN : amide:sc= -0.0612 K(o=-0.061,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.125 0.613 0.107 1.00 41.42 N ATOM 2 CA LEU A 1 1.891 0.823 -1.117 1.00 53.22 C ATOM 3 C LEU A 1 1.907 -0.440 -1.973 1.00 11.54 C ATOM 4 O LEU A 1 1.558 -0.407 -3.153 1.00 23.01 O ATOM 5 CB LEU A 1 3.323 1.243 -0.781 1.00 14.43 C ATOM 6 CG LEU A 1 3.504 2.684 -0.301 1.00 22.35 C ATOM 7 CD1 LEU A 1 4.917 2.899 0.220 1.00 72.20 C ATOM 8 CD2 LEU A 1 3.192 3.663 -1.423 1.00 3.24 C ATOM 0 H1 LEU A 1 1.736 0.781 0.932 1.00 41.42 H new ATOM 0 HA LEU A 1 1.410 1.619 -1.685 1.00 53.22 H new ATOM 0 HB2 LEU A 1 3.706 0.574 -0.010 1.00 14.43 H new ATOM 0 HB3 LEU A 1 3.941 1.096 -1.667 1.00 14.43 H new ATOM 0 HG LEU A 1 2.806 2.865 0.516 1.00 22.35 H new ATOM 0 HD11 LEU A 1 5.028 3.930 0.557 1.00 72.20 H new ATOM 0 HD12 LEU A 1 5.104 2.222 1.054 1.00 72.20 H new ATOM 0 HD13 LEU A 1 5.633 2.699 -0.577 1.00 72.20 H new ATOM 0 HD21 LEU A 1 3.326 4.683 -1.063 1.00 3.24 H new ATOM 0 HD22 LEU A 1 3.865 3.482 -2.261 1.00 3.24 H new ATOM 0 HD23 LEU A 1 2.161 3.526 -1.749 1.00 3.24 H new ATOM 20 N VAL A 2 2.312 -1.552 -1.369 1.00 20.24 N ATOM 21 CA VAL A 2 2.370 -2.827 -2.074 1.00 24.13 C ATOM 22 C VAL A 2 0.984 -3.266 -2.530 1.00 72.45 C ATOM 23 O VAL A 2 0.789 -3.636 -3.688 1.00 14.01 O ATOM 24 CB VAL A 2 2.981 -3.930 -1.189 1.00 71.32 C ATOM 25 CG1 VAL A 2 3.004 -5.258 -1.931 1.00 31.01 C ATOM 26 CG2 VAL A 2 4.380 -3.538 -0.738 1.00 52.23 C ATOM 0 H VAL A 2 2.605 -1.596 -0.393 1.00 20.24 H new ATOM 0 HA VAL A 2 3.006 -2.678 -2.947 1.00 24.13 H new ATOM 0 HB VAL A 2 2.358 -4.047 -0.302 1.00 71.32 H new ATOM 0 HG11 VAL A 2 3.439 -6.025 -1.290 1.00 31.01 H new ATOM 0 HG12 VAL A 2 1.987 -5.543 -2.199 1.00 31.01 H new ATOM 0 HG13 VAL A 2 3.603 -5.159 -2.836 1.00 31.01 H new ATOM 0 HG21 VAL A 2 4.796 -4.329 -0.114 1.00 52.23 H new ATOM 0 HG22 VAL A 2 5.016 -3.392 -1.611 1.00 52.23 H new ATOM 0 HG23 VAL A 2 4.332 -2.612 -0.166 1.00 52.23 H new ATOM 36 N ALA A 3 0.023 -3.223 -1.613 1.00 42.21 N ATOM 37 CA ALA A 3 -1.347 -3.614 -1.922 1.00 45.10 C ATOM 38 C ALA A 3 -1.960 -2.686 -2.965 1.00 15.24 C ATOM 39 O ALA A 3 -2.783 -3.108 -3.778 1.00 12.32 O ATOM 40 CB ALA A 3 -2.191 -3.622 -0.657 1.00 13.33 C ATOM 0 H ALA A 3 0.168 -2.921 -0.650 1.00 42.21 H new ATOM 0 HA ALA A 3 -1.327 -4.621 -2.338 1.00 45.10 H new ATOM 0 HB1 ALA A 3 -3.212 -3.916 -0.902 1.00 13.33 H new ATOM 0 HB2 ALA A 3 -1.771 -4.331 0.056 1.00 13.33 H new ATOM 0 HB3 ALA A 3 -2.196 -2.625 -0.217 1.00 13.33 H new ATOM 46 N TYR A 4 -1.556 -1.421 -2.935 1.00 13.11 N ATOM 47 CA TYR A 4 -2.069 -0.432 -3.876 1.00 35.23 C ATOM 48 C TYR A 4 -1.465 -0.634 -5.262 1.00 4.33 C ATOM 49 O TYR A 4 -2.180 -0.705 -6.260 1.00 34.53 O ATOM 50 CB TYR A 4 -1.769 0.982 -3.376 1.00 63.05 C ATOM 51 CG TYR A 4 -2.995 1.860 -3.271 1.00 2.45 C ATOM 52 CD1 TYR A 4 -3.913 1.934 -4.311 1.00 0.14 C ATOM 53 CD2 TYR A 4 -3.235 2.616 -2.129 1.00 75.05 C ATOM 54 CE1 TYR A 4 -5.034 2.736 -4.218 1.00 70.12 C ATOM 55 CE2 TYR A 4 -4.355 3.419 -2.028 1.00 3.42 C ATOM 56 CZ TYR A 4 -5.251 3.476 -3.075 1.00 4.41 C ATOM 57 OH TYR A 4 -6.367 4.275 -2.978 1.00 40.25 O ATOM 0 H TYR A 4 -0.875 -1.056 -2.269 1.00 13.11 H new ATOM 0 HA TYR A 4 -3.149 -0.562 -3.949 1.00 35.23 H new ATOM 0 HB2 TYR A 4 -1.293 0.919 -2.398 1.00 63.05 H new ATOM 0 HB3 TYR A 4 -1.052 1.452 -4.050 1.00 63.05 H new ATOM 0 HD1 TYR A 4 -3.748 1.355 -5.207 1.00 0.14 H new ATOM 0 HD2 TYR A 4 -2.535 2.575 -1.308 1.00 75.05 H new ATOM 0 HE1 TYR A 4 -5.737 2.783 -5.037 1.00 70.12 H new ATOM 0 HE2 TYR A 4 -4.528 3.999 -1.134 1.00 3.42 H new ATOM 0 HH TYR A 4 -6.371 4.728 -2.109 1.00 40.25 H new ATOM 67 N GLY A 5 -0.139 -0.725 -5.314 1.00 71.04 N ATOM 68 CA GLY A 5 0.541 -0.918 -6.582 1.00 5.05 C ATOM 69 C GLY A 5 2.004 -0.523 -6.520 1.00 54.14 C ATOM 70 O GLY A 5 2.463 0.305 -7.308 1.00 21.30 O ATOM 0 H GLY A 5 0.476 -0.669 -4.502 1.00 71.04 H new ATOM 0 HA2 GLY A 5 0.462 -1.964 -6.878 1.00 5.05 H new ATOM 0 HA3 GLY A 5 0.041 -0.331 -7.352 1.00 5.05 H new ATOM 74 N ILE A 6 2.736 -1.114 -5.582 1.00 72.04 N ATOM 75 CA ILE A 6 4.154 -0.818 -5.422 1.00 20.24 C ATOM 76 C ILE A 6 4.967 -2.098 -5.255 1.00 10.51 C ATOM 77 O ILE A 6 4.509 -3.060 -4.640 1.00 23.11 O ATOM 78 CB ILE A 6 4.404 0.097 -4.209 1.00 2.42 C ATOM 79 CG1 ILE A 6 3.621 1.403 -4.358 1.00 43.51 C ATOM 80 CG2 ILE A 6 5.891 0.379 -4.056 1.00 4.51 C ATOM 81 CD1 ILE A 6 4.077 2.251 -5.525 1.00 4.31 C ATOM 0 H ILE A 6 2.371 -1.800 -4.922 1.00 72.04 H new ATOM 0 HA ILE A 6 4.473 -0.303 -6.328 1.00 20.24 H new ATOM 0 HB ILE A 6 4.056 -0.412 -3.310 1.00 2.42 H new ATOM 0 HG12 ILE A 6 2.563 1.171 -4.479 1.00 43.51 H new ATOM 0 HG13 ILE A 6 3.717 1.982 -3.439 1.00 43.51 H new ATOM 0 HG21 ILE A 6 6.052 1.027 -3.194 1.00 4.51 H new ATOM 0 HG22 ILE A 6 6.426 -0.559 -3.909 1.00 4.51 H new ATOM 0 HG23 ILE A 6 6.262 0.872 -4.955 1.00 4.51 H new ATOM 0 HD11 ILE A 6 3.478 3.161 -5.570 1.00 4.31 H new ATOM 0 HD12 ILE A 6 5.127 2.514 -5.396 1.00 4.31 H new ATOM 0 HD13 ILE A 6 3.955 1.690 -6.452 1.00 4.31 H new ATOM 93 N ALA A 7 6.176 -2.100 -5.806 1.00 5.54 N ATOM 94 CA ALA A 7 7.055 -3.259 -5.715 1.00 4.23 C ATOM 95 C ALA A 7 7.199 -3.726 -4.270 1.00 64.54 C ATOM 96 O ALA A 7 7.215 -2.915 -3.345 1.00 61.31 O ATOM 97 CB ALA A 7 8.420 -2.934 -6.305 1.00 73.40 C ATOM 0 H ALA A 7 6.569 -1.312 -6.320 1.00 5.54 H new ATOM 0 HA ALA A 7 6.607 -4.070 -6.289 1.00 4.23 H new ATOM 0 HB1 ALA A 7 9.066 -3.809 -6.230 1.00 73.40 H new ATOM 0 HB2 ALA A 7 8.307 -2.655 -7.353 1.00 73.40 H new ATOM 0 HB3 ALA A 7 8.866 -2.105 -5.755 1.00 73.40 H new ATOM 103 N GLN A 8 7.304 -5.039 -4.086 1.00 14.42 N ATOM 104 CA GLN A 8 7.445 -5.613 -2.753 1.00 72.11 C ATOM 105 C GLN A 8 8.787 -5.234 -2.136 1.00 51.41 C ATOM 106 O GLN A 8 8.841 -4.647 -1.056 1.00 23.20 O ATOM 107 CB GLN A 8 7.311 -7.136 -2.814 1.00 55.33 C ATOM 108 CG GLN A 8 7.588 -7.825 -1.488 1.00 15.42 C ATOM 109 CD GLN A 8 6.914 -7.133 -0.319 1.00 42.30 C ATOM 110 OE1 GLN A 8 7.555 -6.403 0.438 1.00 52.41 O ATOM 111 NE2 GLN A 8 5.615 -7.359 -0.166 1.00 13.34 N ATOM 0 H GLN A 8 7.294 -5.724 -4.842 1.00 14.42 H new ATOM 0 HA GLN A 8 6.650 -5.210 -2.125 1.00 72.11 H new ATOM 0 HB2 GLN A 8 6.303 -7.391 -3.143 1.00 55.33 H new ATOM 0 HB3 GLN A 8 7.999 -7.523 -3.566 1.00 55.33 H new ATOM 0 HG2 GLN A 8 7.245 -8.858 -1.541 1.00 15.42 H new ATOM 0 HG3 GLN A 8 8.664 -7.855 -1.316 1.00 15.42 H new ATOM 0 HE21 GLN A 8 5.124 -7.971 -0.817 1.00 13.34 H new ATOM 0 HE22 GLN A 8 5.108 -6.920 0.603 1.00 13.34 H new ATOM 120 N GLY A 9 9.869 -5.573 -2.830 1.00 41.22 N ATOM 121 CA GLY A 9 11.197 -5.260 -2.334 1.00 73.04 C ATOM 122 C GLY A 9 11.474 -3.770 -2.320 1.00 12.15 C ATOM 123 O GLY A 9 12.178 -3.270 -1.442 1.00 0.33 O ATOM 0 H GLY A 9 9.850 -6.059 -3.727 1.00 41.22 H new ATOM 0 HA2 GLY A 9 11.307 -5.656 -1.325 1.00 73.04 H new ATOM 0 HA3 GLY A 9 11.941 -5.759 -2.955 1.00 73.04 H new ATOM 127 N THR A 10 10.920 -3.057 -3.295 1.00 41.44 N ATOM 128 CA THR A 10 11.114 -1.615 -3.393 1.00 75.41 C ATOM 129 C THR A 10 10.246 -0.875 -2.382 1.00 4.52 C ATOM 130 O THR A 10 10.572 0.238 -1.968 1.00 74.12 O ATOM 131 CB THR A 10 10.788 -1.099 -4.807 1.00 75.54 C ATOM 132 OG1 THR A 10 11.383 -1.954 -5.790 1.00 33.20 O ATOM 133 CG2 THR A 10 11.292 0.324 -4.994 1.00 34.33 C ATOM 0 H THR A 10 10.333 -3.454 -4.029 1.00 41.44 H new ATOM 0 HA THR A 10 12.165 -1.422 -3.177 1.00 75.41 H new ATOM 0 HB THR A 10 9.705 -1.103 -4.930 1.00 75.54 H new ATOM 0 HG1 THR A 10 11.170 -1.620 -6.686 1.00 33.20 H new ATOM 0 HG21 THR A 10 11.050 0.666 -6.000 1.00 34.33 H new ATOM 0 HG22 THR A 10 10.815 0.978 -4.264 1.00 34.33 H new ATOM 0 HG23 THR A 10 12.372 0.349 -4.852 1.00 34.33 H new ATOM 141 N ALA A 11 9.142 -1.499 -1.987 1.00 14.23 N ATOM 142 CA ALA A 11 8.229 -0.899 -1.021 1.00 60.12 C ATOM 143 C ALA A 11 8.977 -0.425 0.220 1.00 20.33 C ATOM 144 O ALA A 11 8.667 0.626 0.779 1.00 53.33 O ATOM 145 CB ALA A 11 7.140 -1.890 -0.638 1.00 24.54 C ATOM 0 H ALA A 11 8.858 -2.420 -2.321 1.00 14.23 H new ATOM 0 HA ALA A 11 7.765 -0.030 -1.487 1.00 60.12 H new ATOM 0 HB1 ALA A 11 6.466 -1.429 0.084 1.00 24.54 H new ATOM 0 HB2 ALA A 11 6.579 -2.176 -1.528 1.00 24.54 H new ATOM 0 HB3 ALA A 11 7.594 -2.776 -0.195 1.00 24.54 H new ATOM 151 N GLU A 12 9.963 -1.209 0.647 1.00 53.33 N ATOM 152 CA GLU A 12 10.753 -0.868 1.824 1.00 63.42 C ATOM 153 C GLU A 12 11.684 0.305 1.533 1.00 5.11 C ATOM 154 O GLU A 12 11.961 1.125 2.409 1.00 53.43 O ATOM 155 CB GLU A 12 11.568 -2.078 2.285 1.00 24.34 C ATOM 156 CG GLU A 12 11.976 -2.015 3.748 1.00 61.42 C ATOM 157 CD GLU A 12 13.202 -2.856 4.048 1.00 32.13 C ATOM 158 OE1 GLU A 12 13.273 -4.001 3.555 1.00 55.35 O ATOM 159 OE2 GLU A 12 14.091 -2.368 4.778 1.00 73.34 O ATOM 0 H GLU A 12 10.233 -2.083 0.196 1.00 53.33 H new ATOM 0 HA GLU A 12 10.067 -0.576 2.619 1.00 63.42 H new ATOM 0 HB2 GLU A 12 10.985 -2.984 2.118 1.00 24.34 H new ATOM 0 HB3 GLU A 12 12.464 -2.158 1.670 1.00 24.34 H new ATOM 0 HG2 GLU A 12 12.175 -0.979 4.022 1.00 61.42 H new ATOM 0 HG3 GLU A 12 11.146 -2.355 4.368 1.00 61.42 H new ATOM 166 N LYS A 13 12.166 0.378 0.297 1.00 43.20 N ATOM 167 CA LYS A 13 13.066 1.450 -0.112 1.00 10.21 C ATOM 168 C LYS A 13 12.331 2.786 -0.166 1.00 65.00 C ATOM 169 O LYS A 13 12.748 3.761 0.460 1.00 31.32 O ATOM 170 CB LYS A 13 13.678 1.137 -1.479 1.00 72.22 C ATOM 171 CG LYS A 13 14.645 -0.034 -1.459 1.00 5.24 C ATOM 172 CD LYS A 13 15.003 -0.486 -2.864 1.00 61.43 C ATOM 173 CE LYS A 13 16.170 -1.462 -2.856 1.00 34.42 C ATOM 174 NZ LYS A 13 15.796 -2.768 -2.244 1.00 50.13 N ATOM 0 H LYS A 13 11.948 -0.293 -0.440 1.00 43.20 H new ATOM 0 HA LYS A 13 13.863 1.523 0.628 1.00 10.21 H new ATOM 0 HB2 LYS A 13 12.877 0.923 -2.186 1.00 72.22 H new ATOM 0 HB3 LYS A 13 14.199 2.021 -1.845 1.00 72.22 H new ATOM 0 HG2 LYS A 13 15.552 0.251 -0.926 1.00 5.24 H new ATOM 0 HG3 LYS A 13 14.200 -0.865 -0.911 1.00 5.24 H new ATOM 0 HD2 LYS A 13 14.136 -0.957 -3.327 1.00 61.43 H new ATOM 0 HD3 LYS A 13 15.257 0.382 -3.473 1.00 61.43 H new ATOM 0 HE2 LYS A 13 16.515 -1.625 -3.877 1.00 34.42 H new ATOM 0 HE3 LYS A 13 17.003 -1.027 -2.304 1.00 34.42 H new ATOM 0 HZ1 LYS A 13 16.618 -3.406 -2.257 1.00 50.13 H new ATOM 0 HZ2 LYS A 13 15.491 -2.616 -1.261 1.00 50.13 H new ATOM 0 HZ3 LYS A 13 15.018 -3.195 -2.786 1.00 50.13 H new ATOM 188 N VAL A 14 11.235 2.824 -0.917 1.00 65.43 N ATOM 189 CA VAL A 14 10.441 4.039 -1.051 1.00 4.12 C ATOM 190 C VAL A 14 10.066 4.603 0.315 1.00 41.01 C ATOM 191 O VAL A 14 10.106 5.814 0.531 1.00 41.41 O ATOM 192 CB VAL A 14 9.156 3.784 -1.860 1.00 32.44 C ATOM 193 CG1 VAL A 14 9.486 3.539 -3.324 1.00 53.11 C ATOM 194 CG2 VAL A 14 8.384 2.610 -1.275 1.00 53.33 C ATOM 0 H VAL A 14 10.877 2.026 -1.442 1.00 65.43 H new ATOM 0 HA VAL A 14 11.058 4.763 -1.583 1.00 4.12 H new ATOM 0 HB VAL A 14 8.526 4.671 -1.799 1.00 32.44 H new ATOM 0 HG11 VAL A 14 8.565 3.361 -3.880 1.00 53.11 H new ATOM 0 HG12 VAL A 14 9.994 4.412 -3.734 1.00 53.11 H new ATOM 0 HG13 VAL A 14 10.136 2.668 -3.410 1.00 53.11 H new ATOM 0 HG21 VAL A 14 7.479 2.443 -1.858 1.00 53.33 H new ATOM 0 HG22 VAL A 14 9.005 1.715 -1.305 1.00 53.33 H new ATOM 0 HG23 VAL A 14 8.115 2.830 -0.242 1.00 53.33 H new ATOM 204 N VAL A 15 9.701 3.716 1.235 1.00 4.14 N ATOM 205 CA VAL A 15 9.320 4.125 2.582 1.00 20.31 C ATOM 206 C VAL A 15 10.459 4.865 3.275 1.00 75.11 C ATOM 207 O VAL A 15 10.244 5.893 3.917 1.00 23.23 O ATOM 208 CB VAL A 15 8.912 2.914 3.442 1.00 74.44 C ATOM 209 CG1 VAL A 15 8.726 3.327 4.894 1.00 44.24 C ATOM 210 CG2 VAL A 15 7.643 2.276 2.894 1.00 25.14 C ATOM 0 H VAL A 15 9.661 2.710 1.072 1.00 4.14 H new ATOM 0 HA VAL A 15 8.465 4.794 2.479 1.00 20.31 H new ATOM 0 HB VAL A 15 9.712 2.175 3.400 1.00 74.44 H new ATOM 0 HG11 VAL A 15 8.438 2.458 5.485 1.00 44.24 H new ATOM 0 HG12 VAL A 15 9.661 3.734 5.279 1.00 44.24 H new ATOM 0 HG13 VAL A 15 7.946 4.085 4.960 1.00 44.24 H new ATOM 0 HG21 VAL A 15 7.369 1.422 3.513 1.00 25.14 H new ATOM 0 HG22 VAL A 15 6.834 3.007 2.905 1.00 25.14 H new ATOM 0 HG23 VAL A 15 7.816 1.942 1.871 1.00 25.14 H new ATOM 220 N SER A 16 11.670 4.335 3.140 1.00 42.44 N ATOM 221 CA SER A 16 12.844 4.944 3.755 1.00 15.04 C ATOM 222 C SER A 16 12.966 6.412 3.358 1.00 61.24 C ATOM 223 O SER A 16 13.411 7.246 4.147 1.00 11.30 O ATOM 224 CB SER A 16 14.109 4.187 3.350 1.00 63.51 C ATOM 225 OG SER A 16 15.161 4.420 4.271 1.00 14.10 O ATOM 0 H SER A 16 11.864 3.485 2.610 1.00 42.44 H new ATOM 0 HA SER A 16 12.727 4.887 4.837 1.00 15.04 H new ATOM 0 HB2 SER A 16 13.897 3.119 3.299 1.00 63.51 H new ATOM 0 HB3 SER A 16 14.419 4.499 2.353 1.00 63.51 H new ATOM 0 HG SER A 16 15.958 3.923 3.990 1.00 14.10 H new ATOM 231 N LEU A 17 12.569 6.720 2.128 1.00 33.10 N ATOM 232 CA LEU A 17 12.633 8.087 1.623 1.00 3.12 C ATOM 233 C LEU A 17 11.578 8.964 2.289 1.00 32.03 C ATOM 234 O LEU A 17 11.761 10.173 2.430 1.00 12.53 O ATOM 235 CB LEU A 17 12.441 8.101 0.106 1.00 74.03 C ATOM 236 CG LEU A 17 13.679 8.438 -0.725 1.00 41.41 C ATOM 237 CD1 LEU A 17 13.461 8.066 -2.183 1.00 65.43 C ATOM 238 CD2 LEU A 17 14.022 9.915 -0.596 1.00 11.32 C ATOM 0 H LEU A 17 12.199 6.042 1.462 1.00 33.10 H new ATOM 0 HA LEU A 17 13.617 8.490 1.862 1.00 3.12 H new ATOM 0 HB2 LEU A 17 12.077 7.121 -0.203 1.00 74.03 H new ATOM 0 HB3 LEU A 17 11.660 8.822 -0.134 1.00 74.03 H new ATOM 0 HG LEU A 17 14.518 7.855 -0.344 1.00 41.41 H new ATOM 0 HD11 LEU A 17 14.353 8.313 -2.759 1.00 65.43 H new ATOM 0 HD12 LEU A 17 13.264 6.997 -2.260 1.00 65.43 H new ATOM 0 HD13 LEU A 17 12.610 8.621 -2.577 1.00 65.43 H new ATOM 0 HD21 LEU A 17 14.906 10.137 -1.194 1.00 11.32 H new ATOM 0 HD22 LEU A 17 13.184 10.515 -0.950 1.00 11.32 H new ATOM 0 HD23 LEU A 17 14.222 10.152 0.449 1.00 11.32 H new ATOM 250 N ILE A 18 10.475 8.346 2.699 1.00 61.14 N ATOM 251 CA ILE A 18 9.392 9.070 3.353 1.00 64.20 C ATOM 252 C ILE A 18 9.839 9.627 4.700 1.00 3.32 C ATOM 253 O ILE A 18 9.408 10.703 5.112 1.00 40.32 O ATOM 254 CB ILE A 18 8.161 8.170 3.566 1.00 61.55 C ATOM 255 CG1 ILE A 18 7.819 7.422 2.275 1.00 45.32 C ATOM 256 CG2 ILE A 18 6.974 8.998 4.035 1.00 61.34 C ATOM 257 CD1 ILE A 18 6.580 6.562 2.384 1.00 12.53 C ATOM 0 H ILE A 18 10.308 7.346 2.590 1.00 61.14 H new ATOM 0 HA ILE A 18 9.120 9.894 2.693 1.00 64.20 H new ATOM 0 HB ILE A 18 8.395 7.437 4.338 1.00 61.55 H new ATOM 0 HG12 ILE A 18 7.679 8.146 1.472 1.00 45.32 H new ATOM 0 HG13 ILE A 18 8.664 6.793 1.994 1.00 45.32 H new ATOM 0 HG21 ILE A 18 6.112 8.348 4.181 1.00 61.34 H new ATOM 0 HG22 ILE A 18 7.222 9.489 4.976 1.00 61.34 H new ATOM 0 HG23 ILE A 18 6.737 9.752 3.284 1.00 61.34 H new ATOM 0 HD11 ILE A 18 6.399 6.062 1.432 1.00 12.53 H new ATOM 0 HD12 ILE A 18 6.723 5.815 3.165 1.00 12.53 H new ATOM 0 HD13 ILE A 18 5.723 7.188 2.634 1.00 12.53 H new ATOM 269 N ASN A 19 10.708 8.888 5.382 1.00 61.44 N ATOM 270 CA ASN A 19 11.215 9.309 6.683 1.00 63.44 C ATOM 271 C ASN A 19 11.887 10.675 6.588 1.00 25.03 C ATOM 272 O ASN A 19 11.988 11.398 7.579 1.00 52.33 O ATOM 273 CB ASN A 19 12.206 8.277 7.225 1.00 21.33 C ATOM 274 CG ASN A 19 12.811 8.698 8.551 1.00 62.54 C ATOM 275 OD1 ASN A 19 13.672 9.576 8.602 1.00 41.15 O ATOM 276 ND2 ASN A 19 12.363 8.070 9.632 1.00 55.05 N ATOM 0 H ASN A 19 11.076 7.995 5.055 1.00 61.44 H new ATOM 0 HA ASN A 19 10.370 9.386 7.367 1.00 63.44 H new ATOM 0 HB2 ASN A 19 11.699 7.320 7.347 1.00 21.33 H new ATOM 0 HB3 ASN A 19 13.003 8.125 6.497 1.00 21.33 H new ATOM 0 HD21 ASN A 19 12.734 8.310 10.551 1.00 55.05 H new ATOM 0 HD22 ASN A 19 11.648 7.348 9.543 1.00 55.05 H new ATOM 283 N ALA A 20 12.346 11.021 5.390 1.00 53.42 N ATOM 284 CA ALA A 20 13.006 12.301 5.165 1.00 13.40 C ATOM 285 C ALA A 20 12.041 13.462 5.383 1.00 41.20 C ATOM 286 O ALA A 20 12.460 14.598 5.603 1.00 64.34 O ATOM 287 CB ALA A 20 13.590 12.355 3.761 1.00 30.42 C ATOM 0 H ALA A 20 12.273 10.433 4.560 1.00 53.42 H new ATOM 0 HA ALA A 20 13.817 12.395 5.888 1.00 13.40 H new ATOM 0 HB1 ALA A 20 14.080 13.317 3.607 1.00 30.42 H new ATOM 0 HB2 ALA A 20 14.318 11.553 3.639 1.00 30.42 H new ATOM 0 HB3 ALA A 20 12.791 12.234 3.030 1.00 30.42 H new ATOM 293 N GLY A 21 10.746 13.169 5.320 1.00 54.21 N ATOM 294 CA GLY A 21 9.742 14.200 5.512 1.00 72.44 C ATOM 295 C GLY A 21 9.496 15.010 4.255 1.00 51.52 C ATOM 296 O GLY A 21 8.784 16.015 4.284 1.00 12.14 O ATOM 0 H GLY A 21 10.374 12.237 5.140 1.00 54.21 H new ATOM 0 HA2 GLY A 21 8.808 13.738 5.832 1.00 72.44 H new ATOM 0 HA3 GLY A 21 10.059 14.867 6.314 1.00 72.44 H new ATOM 300 N LEU A 22 10.087 14.576 3.147 1.00 2.14 N ATOM 301 CA LEU A 22 9.930 15.270 1.874 1.00 62.34 C ATOM 302 C LEU A 22 8.512 15.108 1.337 1.00 73.24 C ATOM 303 O LEU A 22 7.730 14.306 1.848 1.00 33.33 O ATOM 304 CB LEU A 22 10.938 14.738 0.853 1.00 31.21 C ATOM 305 CG LEU A 22 10.540 13.455 0.123 1.00 72.23 C ATOM 306 CD1 LEU A 22 11.596 13.075 -0.903 1.00 62.12 C ATOM 307 CD2 LEU A 22 10.325 12.321 1.115 1.00 62.02 C ATOM 0 H LEU A 22 10.679 13.747 3.105 1.00 2.14 H new ATOM 0 HA LEU A 22 10.117 16.331 2.041 1.00 62.34 H new ATOM 0 HB2 LEU A 22 11.116 15.515 0.110 1.00 31.21 H new ATOM 0 HB3 LEU A 22 11.885 14.563 1.364 1.00 31.21 H new ATOM 0 HG LEU A 22 9.601 13.635 -0.401 1.00 72.23 H new ATOM 0 HD11 LEU A 22 11.295 12.159 -1.412 1.00 62.12 H new ATOM 0 HD12 LEU A 22 11.701 13.878 -1.632 1.00 62.12 H new ATOM 0 HD13 LEU A 22 12.550 12.914 -0.401 1.00 62.12 H new ATOM 0 HD21 LEU A 22 10.042 11.416 0.577 1.00 62.02 H new ATOM 0 HD22 LEU A 22 11.247 12.142 1.668 1.00 62.02 H new ATOM 0 HD23 LEU A 22 9.531 12.592 1.811 1.00 62.02 H new ATOM 319 N THR A 23 8.186 15.874 0.300 1.00 72.41 N ATOM 320 CA THR A 23 6.862 15.815 -0.308 1.00 24.33 C ATOM 321 C THR A 23 6.774 14.683 -1.325 1.00 44.02 C ATOM 322 O THR A 23 7.765 14.332 -1.966 1.00 4.13 O ATOM 323 CB THR A 23 6.503 17.142 -1.001 1.00 50.41 C ATOM 324 OG1 THR A 23 7.614 17.607 -1.776 1.00 21.03 O ATOM 325 CG2 THR A 23 6.114 18.199 0.022 1.00 41.13 C ATOM 0 H THR A 23 8.821 16.543 -0.136 1.00 72.41 H new ATOM 0 HA THR A 23 6.152 15.631 0.498 1.00 24.33 H new ATOM 0 HB THR A 23 5.652 16.964 -1.658 1.00 50.41 H new ATOM 0 HG1 THR A 23 7.377 18.451 -2.215 1.00 21.03 H new ATOM 0 HG21 THR A 23 5.865 19.128 -0.491 1.00 41.13 H new ATOM 0 HG22 THR A 23 5.250 17.855 0.590 1.00 41.13 H new ATOM 0 HG23 THR A 23 6.949 18.373 0.701 1.00 41.13 H new ATOM 333 N VAL A 24 5.581 14.115 -1.470 1.00 44.00 N ATOM 334 CA VAL A 24 5.364 13.023 -2.412 1.00 14.52 C ATOM 335 C VAL A 24 5.882 13.383 -3.799 1.00 44.25 C ATOM 336 O VAL A 24 6.356 12.522 -4.539 1.00 75.34 O ATOM 337 CB VAL A 24 3.871 12.659 -2.513 1.00 34.44 C ATOM 338 CG1 VAL A 24 3.046 13.881 -2.884 1.00 52.44 C ATOM 339 CG2 VAL A 24 3.663 11.539 -3.521 1.00 22.41 C ATOM 0 H VAL A 24 4.750 14.393 -0.947 1.00 44.00 H new ATOM 0 HA VAL A 24 5.916 12.163 -2.033 1.00 14.52 H new ATOM 0 HB VAL A 24 3.535 12.307 -1.538 1.00 34.44 H new ATOM 0 HG11 VAL A 24 1.994 13.603 -2.950 1.00 52.44 H new ATOM 0 HG12 VAL A 24 3.171 14.650 -2.121 1.00 52.44 H new ATOM 0 HG13 VAL A 24 3.381 14.267 -3.847 1.00 52.44 H new ATOM 0 HG21 VAL A 24 2.602 11.295 -3.580 1.00 22.41 H new ATOM 0 HG22 VAL A 24 4.016 11.861 -4.501 1.00 22.41 H new ATOM 0 HG23 VAL A 24 4.222 10.658 -3.206 1.00 22.41 H new ATOM 349 N GLY A 25 5.791 14.664 -4.146 1.00 75.53 N ATOM 350 CA GLY A 25 6.255 15.115 -5.445 1.00 10.52 C ATOM 351 C GLY A 25 7.686 14.702 -5.725 1.00 70.50 C ATOM 352 O GLY A 25 8.041 14.402 -6.865 1.00 51.51 O ATOM 0 H GLY A 25 5.404 15.397 -3.551 1.00 75.53 H new ATOM 0 HA2 GLY A 25 5.605 14.710 -6.220 1.00 10.52 H new ATOM 0 HA3 GLY A 25 6.176 16.201 -5.499 1.00 10.52 H new ATOM 356 N SER A 26 8.511 14.686 -4.683 1.00 33.53 N ATOM 357 CA SER A 26 9.913 14.311 -4.823 1.00 71.41 C ATOM 358 C SER A 26 10.050 12.817 -5.103 1.00 44.10 C ATOM 359 O SER A 26 11.020 12.377 -5.721 1.00 43.33 O ATOM 360 CB SER A 26 10.690 14.677 -3.557 1.00 40.54 C ATOM 361 OG SER A 26 11.993 14.120 -3.579 1.00 75.21 O ATOM 0 H SER A 26 8.232 14.929 -3.732 1.00 33.53 H new ATOM 0 HA SER A 26 10.328 14.861 -5.667 1.00 71.41 H new ATOM 0 HB2 SER A 26 10.756 15.761 -3.468 1.00 40.54 H new ATOM 0 HB3 SER A 26 10.152 14.317 -2.680 1.00 40.54 H new ATOM 0 HG SER A 26 12.620 14.738 -3.148 1.00 75.21 H new ATOM 367 N ILE A 27 9.073 12.043 -4.643 1.00 42.15 N ATOM 368 CA ILE A 27 9.084 10.599 -4.845 1.00 11.52 C ATOM 369 C ILE A 27 9.086 10.252 -6.329 1.00 71.55 C ATOM 370 O ILE A 27 9.894 9.443 -6.787 1.00 22.25 O ATOM 371 CB ILE A 27 7.871 9.928 -4.173 1.00 42.34 C ATOM 372 CG1 ILE A 27 7.821 10.287 -2.687 1.00 33.33 C ATOM 373 CG2 ILE A 27 7.931 8.419 -4.358 1.00 43.43 C ATOM 374 CD1 ILE A 27 8.992 9.749 -1.895 1.00 61.43 C ATOM 0 H ILE A 27 8.264 12.391 -4.128 1.00 42.15 H new ATOM 0 HA ILE A 27 9.998 10.222 -4.386 1.00 11.52 H new ATOM 0 HB ILE A 27 6.961 10.296 -4.647 1.00 42.34 H new ATOM 0 HG12 ILE A 27 7.791 11.372 -2.585 1.00 33.33 H new ATOM 0 HG13 ILE A 27 6.896 9.901 -2.259 1.00 33.33 H new ATOM 0 HG21 ILE A 27 7.067 7.959 -3.878 1.00 43.43 H new ATOM 0 HG22 ILE A 27 7.923 8.182 -5.422 1.00 43.43 H new ATOM 0 HG23 ILE A 27 8.845 8.033 -3.907 1.00 43.43 H new ATOM 0 HD11 ILE A 27 8.890 10.042 -0.850 1.00 61.43 H new ATOM 0 HD12 ILE A 27 9.011 8.662 -1.967 1.00 61.43 H new ATOM 0 HD13 ILE A 27 9.920 10.155 -2.297 1.00 61.43 H new ATOM 386 N ILE A 28 8.177 10.869 -7.077 1.00 65.43 N ATOM 387 CA ILE A 28 8.077 10.626 -8.511 1.00 54.21 C ATOM 388 C ILE A 28 9.371 11.002 -9.225 1.00 12.24 C ATOM 389 O ILE A 28 9.821 10.297 -10.127 1.00 64.03 O ATOM 390 CB ILE A 28 6.911 11.417 -9.135 1.00 63.31 C ATOM 391 CG1 ILE A 28 5.602 11.091 -8.415 1.00 35.44 C ATOM 392 CG2 ILE A 28 6.797 11.107 -10.620 1.00 54.22 C ATOM 393 CD1 ILE A 28 4.416 11.874 -8.932 1.00 52.41 C ATOM 0 H ILE A 28 7.500 11.540 -6.714 1.00 65.43 H new ATOM 0 HA ILE A 28 7.892 9.559 -8.638 1.00 54.21 H new ATOM 0 HB ILE A 28 7.111 12.482 -9.020 1.00 63.31 H new ATOM 0 HG12 ILE A 28 5.396 10.026 -8.518 1.00 35.44 H new ATOM 0 HG13 ILE A 28 5.723 11.291 -7.350 1.00 35.44 H new ATOM 0 HG21 ILE A 28 5.969 11.673 -11.047 1.00 54.22 H new ATOM 0 HG22 ILE A 28 7.724 11.385 -11.122 1.00 54.22 H new ATOM 0 HG23 ILE A 28 6.616 10.041 -10.756 1.00 54.22 H new ATOM 0 HD11 ILE A 28 3.523 11.591 -8.375 1.00 52.41 H new ATOM 0 HD12 ILE A 28 4.601 12.941 -8.804 1.00 52.41 H new ATOM 0 HD13 ILE A 28 4.269 11.655 -9.990 1.00 52.41 H new ATOM 405 N SER A 29 9.965 12.117 -8.812 1.00 41.21 N ATOM 406 CA SER A 29 11.207 12.589 -9.413 1.00 24.40 C ATOM 407 C SER A 29 12.285 11.510 -9.350 1.00 54.04 C ATOM 408 O SER A 29 13.058 11.334 -10.293 1.00 12.55 O ATOM 409 CB SER A 29 11.694 13.853 -8.703 1.00 42.42 C ATOM 410 OG SER A 29 13.093 14.018 -8.856 1.00 63.34 O ATOM 0 H SER A 29 9.606 12.710 -8.064 1.00 41.21 H new ATOM 0 HA SER A 29 11.010 12.822 -10.459 1.00 24.40 H new ATOM 0 HB2 SER A 29 11.176 14.723 -9.107 1.00 42.42 H new ATOM 0 HB3 SER A 29 11.445 13.797 -7.643 1.00 42.42 H new ATOM 0 HG SER A 29 13.379 14.834 -8.394 1.00 63.34 H new ATOM 416 N ILE A 30 12.328 10.791 -8.234 1.00 65.21 N ATOM 417 CA ILE A 30 13.309 9.729 -8.048 1.00 64.22 C ATOM 418 C ILE A 30 12.949 8.497 -8.872 1.00 11.12 C ATOM 419 O ILE A 30 13.815 7.693 -9.218 1.00 62.20 O ATOM 420 CB ILE A 30 13.428 9.325 -6.567 1.00 2.13 C ATOM 421 CG1 ILE A 30 13.823 10.534 -5.716 1.00 51.11 C ATOM 422 CG2 ILE A 30 14.442 8.202 -6.403 1.00 54.14 C ATOM 423 CD1 ILE A 30 15.136 11.161 -6.130 1.00 11.12 C ATOM 0 H ILE A 30 11.695 10.924 -7.445 1.00 65.21 H new ATOM 0 HA ILE A 30 14.267 10.123 -8.387 1.00 64.22 H new ATOM 0 HB ILE A 30 12.458 8.965 -6.226 1.00 2.13 H new ATOM 0 HG12 ILE A 30 13.035 11.285 -5.778 1.00 51.11 H new ATOM 0 HG13 ILE A 30 13.889 10.227 -4.672 1.00 51.11 H new ATOM 0 HG21 ILE A 30 14.514 7.928 -5.350 1.00 54.14 H new ATOM 0 HG22 ILE A 30 14.122 7.336 -6.982 1.00 54.14 H new ATOM 0 HG23 ILE A 30 15.416 8.537 -6.759 1.00 54.14 H new ATOM 0 HD11 ILE A 30 15.353 12.012 -5.484 1.00 11.12 H new ATOM 0 HD12 ILE A 30 15.935 10.425 -6.041 1.00 11.12 H new ATOM 0 HD13 ILE A 30 15.068 11.499 -7.164 1.00 11.12 H new ATOM 435 N LEU A 31 11.666 8.356 -9.184 1.00 55.23 N ATOM 436 CA LEU A 31 11.189 7.223 -9.970 1.00 23.01 C ATOM 437 C LEU A 31 11.482 7.427 -11.453 1.00 15.21 C ATOM 438 O LEU A 31 11.631 6.465 -12.205 1.00 2.21 O ATOM 439 CB LEU A 31 9.688 7.025 -9.757 1.00 35.41 C ATOM 440 CG LEU A 31 9.286 6.196 -8.536 1.00 4.21 C ATOM 441 CD1 LEU A 31 7.914 6.616 -8.033 1.00 52.15 C ATOM 442 CD2 LEU A 31 9.303 4.712 -8.870 1.00 20.32 C ATOM 0 H LEU A 31 10.937 9.012 -8.905 1.00 55.23 H new ATOM 0 HA LEU A 31 11.718 6.331 -9.634 1.00 23.01 H new ATOM 0 HB2 LEU A 31 9.221 8.006 -9.675 1.00 35.41 H new ATOM 0 HB3 LEU A 31 9.275 6.549 -10.646 1.00 35.41 H new ATOM 0 HG LEU A 31 10.011 6.378 -7.743 1.00 4.21 H new ATOM 0 HD11 LEU A 31 7.645 6.015 -7.164 1.00 52.15 H new ATOM 0 HD12 LEU A 31 7.936 7.669 -7.753 1.00 52.15 H new ATOM 0 HD13 LEU A 31 7.176 6.465 -8.821 1.00 52.15 H new ATOM 0 HD21 LEU A 31 9.014 4.138 -7.990 1.00 20.32 H new ATOM 0 HD22 LEU A 31 8.600 4.513 -9.679 1.00 20.32 H new ATOM 0 HD23 LEU A 31 10.306 4.420 -9.181 1.00 20.32 H new ATOM 454 N GLY A 32 11.564 8.688 -11.867 1.00 14.33 N ATOM 455 CA GLY A 32 11.840 8.996 -13.258 1.00 11.13 C ATOM 456 C GLY A 32 10.833 9.962 -13.849 1.00 13.42 C ATOM 457 O GLY A 32 11.189 10.835 -14.640 1.00 30.15 O ATOM 0 H GLY A 32 11.444 9.502 -11.264 1.00 14.33 H new ATOM 0 HA2 GLY A 32 12.840 9.422 -13.341 1.00 11.13 H new ATOM 0 HA3 GLY A 32 11.838 8.073 -13.838 1.00 11.13 H new ATOM 461 N GLY A 33 9.569 9.806 -13.466 1.00 20.14 N ATOM 462 CA GLY A 33 8.526 10.677 -13.974 1.00 42.53 C ATOM 463 C GLY A 33 7.396 9.908 -14.630 1.00 4.51 C ATOM 464 O GLY A 33 6.272 10.402 -14.724 1.00 23.33 O ATOM 0 H GLY A 33 9.249 9.091 -12.812 1.00 20.14 H new ATOM 0 HA2 GLY A 33 8.127 11.276 -13.156 1.00 42.53 H new ATOM 0 HA3 GLY A 33 8.956 11.371 -14.696 1.00 42.53 H new ATOM 468 N VAL A 34 7.695 8.696 -15.087 1.00 13.31 N ATOM 469 CA VAL A 34 6.696 7.858 -15.738 1.00 75.50 C ATOM 470 C VAL A 34 5.767 7.213 -14.714 1.00 42.55 C ATOM 471 O VAL A 34 4.721 6.667 -15.065 1.00 53.22 O ATOM 472 CB VAL A 34 7.356 6.752 -16.583 1.00 55.14 C ATOM 473 CG1 VAL A 34 8.276 7.359 -17.632 1.00 33.24 C ATOM 474 CG2 VAL A 34 8.116 5.782 -15.692 1.00 10.34 C ATOM 0 H VAL A 34 8.621 8.273 -15.018 1.00 13.31 H new ATOM 0 HA VAL A 34 6.116 8.508 -16.392 1.00 75.50 H new ATOM 0 HB VAL A 34 6.573 6.197 -17.099 1.00 55.14 H new ATOM 0 HG11 VAL A 34 8.733 6.563 -18.219 1.00 33.24 H new ATOM 0 HG12 VAL A 34 7.699 8.009 -18.289 1.00 33.24 H new ATOM 0 HG13 VAL A 34 9.056 7.940 -17.140 1.00 33.24 H new ATOM 0 HG21 VAL A 34 8.576 5.008 -16.306 1.00 10.34 H new ATOM 0 HG22 VAL A 34 8.891 6.320 -15.146 1.00 10.34 H new ATOM 0 HG23 VAL A 34 7.427 5.322 -14.984 1.00 10.34 H new ATOM 484 N THR A 35 6.157 7.281 -13.445 1.00 53.21 N ATOM 485 CA THR A 35 5.360 6.704 -12.369 1.00 44.44 C ATOM 486 C THR A 35 4.321 7.697 -11.862 1.00 11.13 C ATOM 487 O THR A 35 3.652 7.452 -10.858 1.00 34.30 O ATOM 488 CB THR A 35 6.247 6.259 -11.191 1.00 73.20 C ATOM 489 OG1 THR A 35 6.957 7.383 -10.660 1.00 11.02 O ATOM 490 CG2 THR A 35 7.235 5.190 -11.631 1.00 64.15 C ATOM 0 H THR A 35 7.020 7.730 -13.137 1.00 53.21 H new ATOM 0 HA THR A 35 4.853 5.832 -12.782 1.00 44.44 H new ATOM 0 HB THR A 35 5.603 5.839 -10.418 1.00 73.20 H new ATOM 0 HG1 THR A 35 6.374 7.878 -10.048 1.00 11.02 H new ATOM 0 HG21 THR A 35 7.850 4.892 -10.782 1.00 64.15 H new ATOM 0 HG22 THR A 35 6.690 4.324 -12.007 1.00 64.15 H new ATOM 0 HG23 THR A 35 7.873 5.587 -12.420 1.00 64.15 H new ATOM 498 N VAL A 36 4.190 8.819 -12.562 1.00 13.52 N ATOM 499 CA VAL A 36 3.230 9.849 -12.183 1.00 14.24 C ATOM 500 C VAL A 36 1.830 9.265 -12.026 1.00 23.10 C ATOM 501 O VAL A 36 1.133 9.023 -13.010 1.00 64.25 O ATOM 502 CB VAL A 36 3.186 10.986 -13.221 1.00 61.22 C ATOM 503 CG1 VAL A 36 4.405 11.884 -13.081 1.00 45.31 C ATOM 504 CG2 VAL A 36 3.092 10.417 -14.629 1.00 15.20 C ATOM 0 H VAL A 36 4.737 9.038 -13.395 1.00 13.52 H new ATOM 0 HA VAL A 36 3.562 10.253 -11.227 1.00 14.24 H new ATOM 0 HB VAL A 36 2.297 11.589 -13.037 1.00 61.22 H new ATOM 0 HG11 VAL A 36 4.357 12.681 -13.823 1.00 45.31 H new ATOM 0 HG12 VAL A 36 4.424 12.319 -12.082 1.00 45.31 H new ATOM 0 HG13 VAL A 36 5.310 11.297 -13.238 1.00 45.31 H new ATOM 0 HG21 VAL A 36 3.062 11.234 -15.350 1.00 15.20 H new ATOM 0 HG22 VAL A 36 3.961 9.790 -14.827 1.00 15.20 H new ATOM 0 HG23 VAL A 36 2.185 9.819 -14.720 1.00 15.20 H new ATOM 514 N GLY A 37 1.424 9.041 -10.780 1.00 24.33 N ATOM 515 CA GLY A 37 0.109 8.487 -10.516 1.00 62.42 C ATOM 516 C GLY A 37 -0.037 7.994 -9.090 1.00 72.33 C ATOM 517 O GLY A 37 -1.039 8.272 -8.429 1.00 64.51 O ATOM 0 H GLY A 37 1.983 9.233 -9.948 1.00 24.33 H new ATOM 0 HA2 GLY A 37 -0.648 9.246 -10.714 1.00 62.42 H new ATOM 0 HA3 GLY A 37 -0.079 7.662 -11.203 1.00 62.42 H new ATOM 521 N LEU A 38 0.962 7.259 -8.615 1.00 30.23 N ATOM 522 CA LEU A 38 0.940 6.724 -7.258 1.00 32.14 C ATOM 523 C LEU A 38 1.006 7.848 -6.228 1.00 73.43 C ATOM 524 O LEU A 38 0.669 7.654 -5.060 1.00 70.43 O ATOM 525 CB LEU A 38 2.107 5.758 -7.050 1.00 63.40 C ATOM 526 CG LEU A 38 3.456 6.396 -6.718 1.00 44.31 C ATOM 527 CD1 LEU A 38 4.479 5.329 -6.362 1.00 21.34 C ATOM 528 CD2 LEU A 38 3.948 7.240 -7.885 1.00 3.32 C ATOM 0 H LEU A 38 1.797 7.020 -9.149 1.00 30.23 H new ATOM 0 HA LEU A 38 0.002 6.186 -7.122 1.00 32.14 H new ATOM 0 HB2 LEU A 38 1.845 5.071 -6.245 1.00 63.40 H new ATOM 0 HB3 LEU A 38 2.223 5.160 -7.954 1.00 63.40 H new ATOM 0 HG LEU A 38 3.325 7.047 -5.854 1.00 44.31 H new ATOM 0 HD11 LEU A 38 5.433 5.803 -6.129 1.00 21.34 H new ATOM 0 HD12 LEU A 38 4.132 4.767 -5.495 1.00 21.34 H new ATOM 0 HD13 LEU A 38 4.607 4.652 -7.206 1.00 21.34 H new ATOM 0 HD21 LEU A 38 4.909 7.687 -7.631 1.00 3.32 H new ATOM 0 HD22 LEU A 38 4.062 6.610 -8.767 1.00 3.32 H new ATOM 0 HD23 LEU A 38 3.225 8.029 -8.094 1.00 3.32 H new ATOM 540 N SER A 39 1.440 9.024 -6.670 1.00 71.44 N ATOM 541 CA SER A 39 1.551 10.179 -5.787 1.00 64.53 C ATOM 542 C SER A 39 0.208 10.497 -5.137 1.00 25.32 C ATOM 543 O SER A 39 0.151 11.112 -4.073 1.00 25.31 O ATOM 544 CB SER A 39 2.055 11.396 -6.566 1.00 30.44 C ATOM 545 OG SER A 39 1.626 12.602 -5.959 1.00 54.21 O ATOM 0 H SER A 39 1.720 9.202 -7.634 1.00 71.44 H new ATOM 0 HA SER A 39 2.267 9.938 -5.001 1.00 64.53 H new ATOM 0 HB2 SER A 39 3.144 11.376 -6.614 1.00 30.44 H new ATOM 0 HB3 SER A 39 1.690 11.352 -7.592 1.00 30.44 H new ATOM 0 HG SER A 39 1.962 13.365 -6.474 1.00 54.21 H new ATOM 551 N GLY A 40 -0.872 10.072 -5.786 1.00 2.32 N ATOM 552 CA GLY A 40 -2.200 10.321 -5.257 1.00 32.20 C ATOM 553 C GLY A 40 -2.527 9.436 -4.070 1.00 45.21 C ATOM 554 O GLY A 40 -3.371 9.781 -3.243 1.00 71.33 O ATOM 0 H GLY A 40 -0.851 9.560 -6.668 1.00 2.32 H new ATOM 0 HA2 GLY A 40 -2.279 11.367 -4.959 1.00 32.20 H new ATOM 0 HA3 GLY A 40 -2.937 10.157 -6.043 1.00 32.20 H new ATOM 558 N VAL A 41 -1.857 8.291 -3.986 1.00 1.04 N ATOM 559 CA VAL A 41 -2.080 7.354 -2.892 1.00 35.45 C ATOM 560 C VAL A 41 -0.933 7.396 -1.889 1.00 30.53 C ATOM 561 O VAL A 41 -1.104 7.051 -0.719 1.00 65.11 O ATOM 562 CB VAL A 41 -2.241 5.913 -3.411 1.00 72.52 C ATOM 563 CG1 VAL A 41 -3.451 5.807 -4.327 1.00 32.33 C ATOM 564 CG2 VAL A 41 -0.978 5.462 -4.129 1.00 71.50 C ATOM 0 H VAL A 41 -1.155 7.990 -4.663 1.00 1.04 H new ATOM 0 HA VAL A 41 -3.002 7.659 -2.397 1.00 35.45 H new ATOM 0 HB VAL A 41 -2.402 5.254 -2.558 1.00 72.52 H new ATOM 0 HG11 VAL A 41 -3.549 4.782 -4.684 1.00 32.33 H new ATOM 0 HG12 VAL A 41 -4.349 6.087 -3.777 1.00 32.33 H new ATOM 0 HG13 VAL A 41 -3.323 6.477 -5.178 1.00 32.33 H new ATOM 0 HG21 VAL A 41 -1.109 4.442 -4.489 1.00 71.50 H new ATOM 0 HG22 VAL A 41 -0.784 6.123 -4.974 1.00 71.50 H new ATOM 0 HG23 VAL A 41 -0.135 5.498 -3.439 1.00 71.50 H new ATOM 574 N PHE A 42 0.237 7.821 -2.354 1.00 71.40 N ATOM 575 CA PHE A 42 1.414 7.908 -1.498 1.00 22.41 C ATOM 576 C PHE A 42 1.122 8.742 -0.254 1.00 50.44 C ATOM 577 O PHE A 42 1.326 8.291 0.873 1.00 11.22 O ATOM 578 CB PHE A 42 2.588 8.515 -2.269 1.00 61.41 C ATOM 579 CG PHE A 42 3.931 8.137 -1.712 1.00 72.31 C ATOM 580 CD1 PHE A 42 4.554 6.964 -2.106 1.00 72.53 C ATOM 581 CD2 PHE A 42 4.570 8.955 -0.795 1.00 22.23 C ATOM 582 CE1 PHE A 42 5.789 6.613 -1.595 1.00 11.24 C ATOM 583 CE2 PHE A 42 5.806 8.610 -0.280 1.00 33.21 C ATOM 584 CZ PHE A 42 6.416 7.438 -0.681 1.00 62.23 C ATOM 0 H PHE A 42 0.395 8.111 -3.319 1.00 71.40 H new ATOM 0 HA PHE A 42 1.678 6.899 -1.183 1.00 22.41 H new ATOM 0 HB2 PHE A 42 2.532 8.196 -3.310 1.00 61.41 H new ATOM 0 HB3 PHE A 42 2.494 9.601 -2.263 1.00 61.41 H new ATOM 0 HD1 PHE A 42 4.069 6.316 -2.821 1.00 72.53 H new ATOM 0 HD2 PHE A 42 4.097 9.873 -0.479 1.00 22.23 H new ATOM 0 HE1 PHE A 42 6.263 5.695 -1.910 1.00 11.24 H new ATOM 0 HE2 PHE A 42 6.294 9.256 0.435 1.00 33.21 H new ATOM 0 HZ PHE A 42 7.382 7.167 -0.281 1.00 62.23 H new ATOM 594 N THR A 43 0.643 9.964 -0.468 1.00 50.01 N ATOM 595 CA THR A 43 0.324 10.863 0.633 1.00 0.44 C ATOM 596 C THR A 43 -0.628 10.203 1.624 1.00 2.23 C ATOM 597 O THR A 43 -0.451 10.314 2.837 1.00 12.21 O ATOM 598 CB THR A 43 -0.309 12.172 0.125 1.00 53.22 C ATOM 599 OG1 THR A 43 0.242 12.520 -1.150 1.00 5.31 O ATOM 600 CG2 THR A 43 -0.075 13.306 1.111 1.00 4.14 C ATOM 0 H THR A 43 0.468 10.353 -1.394 1.00 50.01 H new ATOM 0 HA THR A 43 1.264 11.093 1.134 1.00 0.44 H new ATOM 0 HB THR A 43 -1.383 12.015 0.026 1.00 53.22 H new ATOM 0 HG1 THR A 43 -0.167 13.352 -1.467 1.00 5.31 H new ATOM 0 HG21 THR A 43 -0.531 14.220 0.730 1.00 4.14 H new ATOM 0 HG22 THR A 43 -0.522 13.051 2.072 1.00 4.14 H new ATOM 0 HG23 THR A 43 0.996 13.462 1.239 1.00 4.14 H new ATOM 608 N ALA A 44 -1.637 9.515 1.100 1.00 41.50 N ATOM 609 CA ALA A 44 -2.615 8.835 1.939 1.00 32.22 C ATOM 610 C ALA A 44 -1.945 7.794 2.829 1.00 31.25 C ATOM 611 O ALA A 44 -2.293 7.648 4.001 1.00 34.52 O ATOM 612 CB ALA A 44 -3.688 8.184 1.078 1.00 5.11 C ATOM 0 H ALA A 44 -1.798 9.414 0.098 1.00 41.50 H new ATOM 0 HA ALA A 44 -3.084 9.579 2.583 1.00 32.22 H new ATOM 0 HB1 ALA A 44 -4.412 7.680 1.718 1.00 5.11 H new ATOM 0 HB2 ALA A 44 -4.195 8.948 0.489 1.00 5.11 H new ATOM 0 HB3 ALA A 44 -3.227 7.457 0.409 1.00 5.11 H new ATOM 618 N VAL A 45 -0.982 7.072 2.266 1.00 61.51 N ATOM 619 CA VAL A 45 -0.263 6.044 3.009 1.00 64.10 C ATOM 620 C VAL A 45 0.655 6.664 4.056 1.00 4.03 C ATOM 621 O VAL A 45 0.861 6.099 5.131 1.00 64.14 O ATOM 622 CB VAL A 45 0.575 5.155 2.070 1.00 35.23 C ATOM 623 CG1 VAL A 45 1.339 4.108 2.867 1.00 51.33 C ATOM 624 CG2 VAL A 45 -0.315 4.497 1.026 1.00 11.22 C ATOM 0 H VAL A 45 -0.681 7.180 1.297 1.00 61.51 H new ATOM 0 HA VAL A 45 -1.014 5.429 3.506 1.00 64.10 H new ATOM 0 HB VAL A 45 1.300 5.784 1.553 1.00 35.23 H new ATOM 0 HG11 VAL A 45 1.925 3.489 2.187 1.00 51.33 H new ATOM 0 HG12 VAL A 45 2.006 4.603 3.573 1.00 51.33 H new ATOM 0 HG13 VAL A 45 0.634 3.480 3.412 1.00 51.33 H new ATOM 0 HG21 VAL A 45 0.293 3.873 0.371 1.00 11.22 H new ATOM 0 HG22 VAL A 45 -1.064 3.880 1.523 1.00 11.22 H new ATOM 0 HG23 VAL A 45 -0.812 5.266 0.435 1.00 11.22 H new ATOM 634 N LYS A 46 1.205 7.831 3.737 1.00 60.32 N ATOM 635 CA LYS A 46 2.101 8.531 4.650 1.00 75.21 C ATOM 636 C LYS A 46 1.427 8.768 5.998 1.00 53.14 C ATOM 637 O LYS A 46 1.969 8.414 7.044 1.00 32.20 O ATOM 638 CB LYS A 46 2.538 9.866 4.044 1.00 12.52 C ATOM 639 CG LYS A 46 3.571 10.604 4.879 1.00 71.43 C ATOM 640 CD LYS A 46 3.463 12.108 4.698 1.00 10.40 C ATOM 641 CE LYS A 46 2.381 12.701 5.589 1.00 64.44 C ATOM 642 NZ LYS A 46 2.264 14.175 5.413 1.00 75.44 N ATOM 0 H LYS A 46 1.046 8.312 2.852 1.00 60.32 H new ATOM 0 HA LYS A 46 2.980 7.906 4.808 1.00 75.21 H new ATOM 0 HB2 LYS A 46 2.947 9.687 3.050 1.00 12.52 H new ATOM 0 HB3 LYS A 46 1.662 10.503 3.919 1.00 12.52 H new ATOM 0 HG2 LYS A 46 3.437 10.353 5.931 1.00 71.43 H new ATOM 0 HG3 LYS A 46 4.571 10.274 4.598 1.00 71.43 H new ATOM 0 HD2 LYS A 46 4.421 12.573 4.929 1.00 10.40 H new ATOM 0 HD3 LYS A 46 3.242 12.335 3.655 1.00 10.40 H new ATOM 0 HE2 LYS A 46 1.424 12.231 5.361 1.00 64.44 H new ATOM 0 HE3 LYS A 46 2.606 12.476 6.632 1.00 64.44 H new ATOM 0 HZ1 LYS A 46 1.517 14.541 6.037 1.00 75.44 H new ATOM 0 HZ2 LYS A 46 3.169 14.626 5.655 1.00 75.44 H new ATOM 0 HZ3 LYS A 46 2.024 14.389 4.424 1.00 75.44 H new ATOM 656 N ALA A 47 0.241 9.368 5.964 1.00 44.21 N ATOM 657 CA ALA A 47 -0.508 9.649 7.182 1.00 4.15 C ATOM 658 C ALA A 47 -0.767 8.372 7.974 1.00 74.22 C ATOM 659 O ALA A 47 -0.817 8.392 9.203 1.00 35.53 O ATOM 660 CB ALA A 47 -1.821 10.341 6.847 1.00 24.03 C ATOM 0 H ALA A 47 -0.221 9.669 5.106 1.00 44.21 H new ATOM 0 HA ALA A 47 0.092 10.315 7.803 1.00 4.15 H new ATOM 0 HB1 ALA A 47 -2.370 10.545 7.766 1.00 24.03 H new ATOM 0 HB2 ALA A 47 -1.617 11.279 6.331 1.00 24.03 H new ATOM 0 HB3 ALA A 47 -2.419 9.696 6.203 1.00 24.03 H new ATOM 666 N ALA A 48 -0.933 7.263 7.261 1.00 61.34 N ATOM 667 CA ALA A 48 -1.186 5.976 7.897 1.00 54.01 C ATOM 668 C ALA A 48 -0.064 5.611 8.863 1.00 74.31 C ATOM 669 O ALA A 48 -0.293 4.938 9.869 1.00 53.23 O ATOM 670 CB ALA A 48 -1.353 4.890 6.844 1.00 13.31 C ATOM 0 H ALA A 48 -0.897 7.230 6.242 1.00 61.34 H new ATOM 0 HA ALA A 48 -2.110 6.057 8.469 1.00 54.01 H new ATOM 0 HB1 ALA A 48 -1.541 3.934 7.333 1.00 13.31 H new ATOM 0 HB2 ALA A 48 -2.194 5.138 6.196 1.00 13.31 H new ATOM 0 HB3 ALA A 48 -0.444 4.819 6.247 1.00 13.31 H new ATOM 676 N ILE A 49 1.147 6.057 8.551 1.00 44.32 N ATOM 677 CA ILE A 49 2.304 5.777 9.392 1.00 3.21 C ATOM 678 C ILE A 49 2.075 6.259 10.821 1.00 51.35 C ATOM 679 O ILE A 49 2.179 5.486 11.772 1.00 72.42 O ATOM 680 CB ILE A 49 3.578 6.441 8.837 1.00 63.34 C ATOM 681 CG1 ILE A 49 3.856 5.951 7.414 1.00 21.41 C ATOM 682 CG2 ILE A 49 4.765 6.151 9.744 1.00 51.23 C ATOM 683 CD1 ILE A 49 4.969 6.705 6.722 1.00 44.04 C ATOM 0 H ILE A 49 1.353 6.614 7.722 1.00 44.32 H new ATOM 0 HA ILE A 49 2.438 4.695 9.393 1.00 3.21 H new ATOM 0 HB ILE A 49 3.424 7.520 8.807 1.00 63.34 H new ATOM 0 HG12 ILE A 49 4.111 4.892 7.447 1.00 21.41 H new ATOM 0 HG13 ILE A 49 2.945 6.041 6.823 1.00 21.41 H new ATOM 0 HG21 ILE A 49 5.658 6.627 9.338 1.00 51.23 H new ATOM 0 HG22 ILE A 49 4.566 6.544 10.741 1.00 51.23 H new ATOM 0 HG23 ILE A 49 4.923 5.074 9.803 1.00 51.23 H new ATOM 0 HD11 ILE A 49 5.111 6.304 5.718 1.00 44.04 H new ATOM 0 HD12 ILE A 49 4.708 7.761 6.657 1.00 44.04 H new ATOM 0 HD13 ILE A 49 5.892 6.594 7.291 1.00 44.04 H new ATOM 695 N ALA A 50 1.761 7.543 10.963 1.00 73.23 N ATOM 696 CA ALA A 50 1.512 8.128 12.274 1.00 24.35 C ATOM 697 C ALA A 50 0.310 7.475 12.948 1.00 60.10 C ATOM 698 O ALA A 50 0.192 7.482 14.173 1.00 12.05 O ATOM 699 CB ALA A 50 1.300 9.629 12.151 1.00 10.32 C ATOM 0 H ALA A 50 1.673 8.197 10.186 1.00 73.23 H new ATOM 0 HA ALA A 50 2.388 7.946 12.897 1.00 24.35 H new ATOM 0 HB1 ALA A 50 1.115 10.052 13.138 1.00 10.32 H new ATOM 0 HB2 ALA A 50 2.190 10.088 11.720 1.00 10.32 H new ATOM 0 HB3 ALA A 50 0.443 9.824 11.506 1.00 10.32 H new ATOM 705 N LYS A 51 -0.581 6.911 12.140 1.00 53.54 N ATOM 706 CA LYS A 51 -1.775 6.253 12.656 1.00 13.45 C ATOM 707 C LYS A 51 -1.437 4.876 13.219 1.00 13.40 C ATOM 708 O LYS A 51 -1.879 4.517 14.310 1.00 71.11 O ATOM 709 CB LYS A 51 -2.828 6.121 11.553 1.00 23.03 C ATOM 710 CG LYS A 51 -3.739 7.330 11.434 1.00 13.00 C ATOM 711 CD LYS A 51 -4.789 7.347 12.532 1.00 14.21 C ATOM 712 CE LYS A 51 -6.018 6.541 12.141 1.00 72.42 C ATOM 713 NZ LYS A 51 -6.804 7.212 11.069 1.00 52.10 N ATOM 0 H LYS A 51 -0.498 6.897 11.123 1.00 53.54 H new ATOM 0 HA LYS A 51 -2.178 6.867 13.462 1.00 13.45 H new ATOM 0 HB2 LYS A 51 -2.325 5.960 10.599 1.00 23.03 H new ATOM 0 HB3 LYS A 51 -3.435 5.237 11.746 1.00 23.03 H new ATOM 0 HG2 LYS A 51 -3.144 8.242 11.484 1.00 13.00 H new ATOM 0 HG3 LYS A 51 -4.229 7.323 10.461 1.00 13.00 H new ATOM 0 HD2 LYS A 51 -4.364 6.941 13.450 1.00 14.21 H new ATOM 0 HD3 LYS A 51 -5.080 8.376 12.743 1.00 14.21 H new ATOM 0 HE2 LYS A 51 -5.711 5.552 11.801 1.00 72.42 H new ATOM 0 HE3 LYS A 51 -6.650 6.395 13.017 1.00 72.42 H new ATOM 0 HZ1 LYS A 51 -7.764 6.813 11.041 1.00 52.10 H new ATOM 0 HZ2 LYS A 51 -6.859 8.232 11.265 1.00 52.10 H new ATOM 0 HZ3 LYS A 51 -6.339 7.061 10.151 1.00 52.10 H new ATOM 727 N GLN A 52 -0.651 4.112 12.468 1.00 2.21 N ATOM 728 CA GLN A 52 -0.254 2.775 12.894 1.00 44.34 C ATOM 729 C GLN A 52 1.265 2.654 12.961 1.00 2.45 C ATOM 730 O GLN A 52 1.847 2.609 14.045 1.00 55.33 O ATOM 731 CB GLN A 52 -0.819 1.724 11.937 1.00 65.21 C ATOM 732 CG GLN A 52 -2.244 1.308 12.263 1.00 50.24 C ATOM 733 CD GLN A 52 -2.318 0.337 13.424 1.00 62.52 C ATOM 734 OE1 GLN A 52 -1.309 -0.241 13.830 1.00 0.34 O ATOM 735 NE2 GLN A 52 -3.516 0.150 13.965 1.00 10.41 N ATOM 0 H GLN A 52 -0.277 4.395 11.562 1.00 2.21 H new ATOM 0 HA GLN A 52 -0.658 2.603 13.892 1.00 44.34 H new ATOM 0 HB2 GLN A 52 -0.787 2.116 10.920 1.00 65.21 H new ATOM 0 HB3 GLN A 52 -0.178 0.843 11.959 1.00 65.21 H new ATOM 0 HG2 GLN A 52 -2.832 2.195 12.498 1.00 50.24 H new ATOM 0 HG3 GLN A 52 -2.695 0.850 11.383 1.00 50.24 H new ATOM 0 HE21 GLN A 52 -4.325 0.650 13.597 1.00 10.41 H new ATOM 0 HE22 GLN A 52 -3.627 -0.493 14.749 1.00 10.41 H new ATOM 744 N GLY A 53 1.903 2.602 11.796 1.00 53.03 N ATOM 745 CA GLY A 53 3.348 2.486 11.745 1.00 4.34 C ATOM 746 C GLY A 53 3.866 2.290 10.334 1.00 35.01 C ATOM 747 O GLY A 53 3.146 1.795 9.466 1.00 63.12 O ATOM 0 H GLY A 53 1.444 2.638 10.886 1.00 53.03 H new ATOM 0 HA2 GLY A 53 3.796 3.383 12.172 1.00 4.34 H new ATOM 0 HA3 GLY A 53 3.664 1.646 12.364 1.00 4.34 H new ATOM 751 N ILE A 54 5.115 2.680 10.104 1.00 54.12 N ATOM 752 CA ILE A 54 5.726 2.545 8.788 1.00 63.33 C ATOM 753 C ILE A 54 5.581 1.122 8.257 1.00 14.45 C ATOM 754 O ILE A 54 5.417 0.909 7.056 1.00 53.30 O ATOM 755 CB ILE A 54 7.220 2.918 8.820 1.00 22.11 C ATOM 756 CG1 ILE A 54 7.933 2.162 9.943 1.00 31.41 C ATOM 757 CG2 ILE A 54 7.387 4.420 8.997 1.00 62.25 C ATOM 758 CD1 ILE A 54 9.414 2.457 10.025 1.00 2.13 C ATOM 0 H ILE A 54 5.723 3.092 10.812 1.00 54.12 H new ATOM 0 HA ILE A 54 5.201 3.233 8.125 1.00 63.33 H new ATOM 0 HB ILE A 54 7.671 2.631 7.870 1.00 22.11 H new ATOM 0 HG12 ILE A 54 7.467 2.417 10.895 1.00 31.41 H new ATOM 0 HG13 ILE A 54 7.792 1.091 9.796 1.00 31.41 H new ATOM 0 HG21 ILE A 54 8.448 4.668 9.018 1.00 62.25 H new ATOM 0 HG22 ILE A 54 6.909 4.940 8.167 1.00 62.25 H new ATOM 0 HG23 ILE A 54 6.924 4.730 9.934 1.00 62.25 H new ATOM 0 HD11 ILE A 54 9.854 1.887 10.843 1.00 2.13 H new ATOM 0 HD12 ILE A 54 9.894 2.175 9.088 1.00 2.13 H new ATOM 0 HD13 ILE A 54 9.564 3.522 10.203 1.00 2.13 H new ATOM 770 N LYS A 55 5.640 0.151 9.162 1.00 74.21 N ATOM 771 CA LYS A 55 5.511 -1.253 8.787 1.00 1.55 C ATOM 772 C LYS A 55 4.200 -1.501 8.049 1.00 15.15 C ATOM 773 O LYS A 55 4.171 -2.181 7.024 1.00 64.05 O ATOM 774 CB LYS A 55 5.586 -2.142 10.030 1.00 34.25 C ATOM 775 CG LYS A 55 4.600 -1.751 11.118 1.00 4.03 C ATOM 776 CD LYS A 55 4.833 -2.544 12.393 1.00 23.41 C ATOM 777 CE LYS A 55 5.932 -1.925 13.242 1.00 5.24 C ATOM 778 NZ LYS A 55 5.872 -2.393 14.655 1.00 45.22 N ATOM 0 H LYS A 55 5.776 0.310 10.160 1.00 74.21 H new ATOM 0 HA LYS A 55 6.335 -1.503 8.119 1.00 1.55 H new ATOM 0 HB2 LYS A 55 5.401 -3.176 9.739 1.00 34.25 H new ATOM 0 HB3 LYS A 55 6.597 -2.101 10.436 1.00 34.25 H new ATOM 0 HG2 LYS A 55 4.693 -0.686 11.329 1.00 4.03 H new ATOM 0 HG3 LYS A 55 3.582 -1.918 10.765 1.00 4.03 H new ATOM 0 HD2 LYS A 55 3.909 -2.589 12.969 1.00 23.41 H new ATOM 0 HD3 LYS A 55 5.101 -3.570 12.141 1.00 23.41 H new ATOM 0 HE2 LYS A 55 6.904 -2.176 12.817 1.00 5.24 H new ATOM 0 HE3 LYS A 55 5.843 -0.839 13.215 1.00 5.24 H new ATOM 0 HZ1 LYS A 55 6.637 -1.948 15.201 1.00 45.22 H new ATOM 0 HZ2 LYS A 55 4.954 -2.131 15.069 1.00 45.22 H new ATOM 0 HZ3 LYS A 55 5.982 -3.427 14.683 1.00 45.22 H new ATOM 792 N LYS A 56 3.115 -0.944 8.577 1.00 35.30 N ATOM 793 CA LYS A 56 1.799 -1.103 7.967 1.00 4.55 C ATOM 794 C LYS A 56 1.743 -0.413 6.608 1.00 24.00 C ATOM 795 O LYS A 56 1.113 -0.910 5.675 1.00 22.02 O ATOM 796 CB LYS A 56 0.717 -0.531 8.886 1.00 72.30 C ATOM 797 CG LYS A 56 0.160 -1.543 9.873 1.00 45.02 C ATOM 798 CD LYS A 56 -0.799 -2.510 9.199 1.00 2.21 C ATOM 799 CE LYS A 56 -2.218 -1.963 9.178 1.00 30.12 C ATOM 800 NZ LYS A 56 -2.452 -1.073 8.008 1.00 52.42 N ATOM 0 H LYS A 56 3.121 -0.378 9.426 1.00 35.30 H new ATOM 0 HA LYS A 56 1.619 -2.168 7.822 1.00 4.55 H new ATOM 0 HB2 LYS A 56 1.130 0.313 9.438 1.00 72.30 H new ATOM 0 HB3 LYS A 56 -0.099 -0.144 8.276 1.00 72.30 H new ATOM 0 HG2 LYS A 56 0.980 -2.099 10.327 1.00 45.02 H new ATOM 0 HG3 LYS A 56 -0.355 -1.021 10.679 1.00 45.02 H new ATOM 0 HD2 LYS A 56 -0.467 -2.702 8.179 1.00 2.21 H new ATOM 0 HD3 LYS A 56 -0.784 -3.465 9.724 1.00 2.21 H new ATOM 0 HE2 LYS A 56 -2.926 -2.791 9.152 1.00 30.12 H new ATOM 0 HE3 LYS A 56 -2.408 -1.411 10.098 1.00 30.12 H new ATOM 0 HZ1 LYS A 56 -3.435 -1.177 7.683 1.00 52.42 H new ATOM 0 HZ2 LYS A 56 -2.282 -0.085 8.284 1.00 52.42 H new ATOM 0 HZ3 LYS A 56 -1.803 -1.334 7.238 1.00 52.42 H new ATOM 814 N ALA A 57 2.408 0.733 6.503 1.00 15.32 N ATOM 815 CA ALA A 57 2.436 1.489 5.257 1.00 72.52 C ATOM 816 C ALA A 57 2.972 0.637 4.111 1.00 51.00 C ATOM 817 O ALA A 57 2.557 0.794 2.962 1.00 20.42 O ATOM 818 CB ALA A 57 3.277 2.746 5.421 1.00 54.04 C ATOM 0 H ALA A 57 2.935 1.158 7.266 1.00 15.32 H new ATOM 0 HA ALA A 57 1.414 1.779 5.013 1.00 72.52 H new ATOM 0 HB1 ALA A 57 3.289 3.301 4.483 1.00 54.04 H new ATOM 0 HB2 ALA A 57 2.850 3.370 6.206 1.00 54.04 H new ATOM 0 HB3 ALA A 57 4.296 2.469 5.692 1.00 54.04 H new ATOM 824 N ILE A 58 3.896 -0.263 4.431 1.00 54.02 N ATOM 825 CA ILE A 58 4.488 -1.139 3.427 1.00 35.04 C ATOM 826 C ILE A 58 3.415 -1.936 2.693 1.00 64.45 C ATOM 827 O ILE A 58 3.283 -1.839 1.473 1.00 51.20 O ATOM 828 CB ILE A 58 5.496 -2.117 4.058 1.00 3.25 C ATOM 829 CG1 ILE A 58 6.602 -1.346 4.783 1.00 62.14 C ATOM 830 CG2 ILE A 58 6.088 -3.028 2.993 1.00 3.34 C ATOM 831 CD1 ILE A 58 7.510 -2.228 5.611 1.00 44.33 C ATOM 0 H ILE A 58 4.251 -0.405 5.377 1.00 54.02 H new ATOM 0 HA ILE A 58 5.011 -0.498 2.717 1.00 35.04 H new ATOM 0 HB ILE A 58 4.972 -2.736 4.787 1.00 3.25 H new ATOM 0 HG12 ILE A 58 7.202 -0.809 4.048 1.00 62.14 H new ATOM 0 HG13 ILE A 58 6.147 -0.597 5.431 1.00 62.14 H new ATOM 0 HG21 ILE A 58 6.799 -3.714 3.455 1.00 3.34 H new ATOM 0 HG22 ILE A 58 5.290 -3.598 2.518 1.00 3.34 H new ATOM 0 HG23 ILE A 58 6.600 -2.426 2.243 1.00 3.34 H new ATOM 0 HD11 ILE A 58 8.270 -1.615 6.096 1.00 44.33 H new ATOM 0 HD12 ILE A 58 6.922 -2.745 6.370 1.00 44.33 H new ATOM 0 HD13 ILE A 58 7.993 -2.961 4.965 1.00 44.33 H new ATOM 843 N GLN A 59 2.652 -2.723 3.444 1.00 71.33 N ATOM 844 CA GLN A 59 1.590 -3.537 2.863 1.00 1.31 C ATOM 845 C GLN A 59 0.627 -2.676 2.052 1.00 34.25 C ATOM 846 O GLN A 59 0.043 -3.136 1.070 1.00 63.02 O ATOM 847 CB GLN A 59 0.828 -4.279 3.962 1.00 2.15 C ATOM 848 CG GLN A 59 1.654 -5.349 4.658 1.00 34.24 C ATOM 849 CD GLN A 59 1.792 -6.611 3.829 1.00 14.23 C ATOM 850 OE1 GLN A 59 1.440 -6.634 2.649 1.00 1.44 O ATOM 851 NE2 GLN A 59 2.306 -7.670 4.444 1.00 51.25 N ATOM 0 H GLN A 59 2.749 -2.815 4.455 1.00 71.33 H new ATOM 0 HA GLN A 59 2.049 -4.265 2.194 1.00 1.31 H new ATOM 0 HB2 GLN A 59 0.483 -3.558 4.703 1.00 2.15 H new ATOM 0 HB3 GLN A 59 -0.059 -4.741 3.529 1.00 2.15 H new ATOM 0 HG2 GLN A 59 2.645 -4.952 4.877 1.00 34.24 H new ATOM 0 HG3 GLN A 59 1.191 -5.595 5.614 1.00 34.24 H new ATOM 0 HE21 GLN A 59 2.584 -7.606 5.423 1.00 51.25 H new ATOM 0 HE22 GLN A 59 2.423 -8.547 3.937 1.00 51.25 H new ATOM 860 N LEU A 60 0.464 -1.426 2.470 1.00 15.22 N ATOM 861 CA LEU A 60 -0.430 -0.500 1.783 1.00 51.11 C ATOM 862 C LEU A 60 0.076 -0.198 0.376 1.00 11.20 C ATOM 863 O LEU A 60 -0.658 -0.339 -0.602 1.00 43.02 O ATOM 864 CB LEU A 60 -0.562 0.799 2.580 1.00 43.12 C ATOM 865 CG LEU A 60 -1.954 1.111 3.129 1.00 11.42 C ATOM 866 CD1 LEU A 60 -2.361 0.080 4.171 1.00 45.34 C ATOM 867 CD2 LEU A 60 -1.992 2.513 3.721 1.00 50.04 C ATOM 0 H LEU A 60 0.939 -1.030 3.281 1.00 15.22 H new ATOM 0 HA LEU A 60 -1.410 -0.971 1.704 1.00 51.11 H new ATOM 0 HB2 LEU A 60 0.136 0.761 3.416 1.00 43.12 H new ATOM 0 HB3 LEU A 60 -0.251 1.626 1.942 1.00 43.12 H new ATOM 0 HG LEU A 60 -2.666 1.066 2.305 1.00 11.42 H new ATOM 0 HD11 LEU A 60 -3.355 0.319 4.550 1.00 45.34 H new ATOM 0 HD12 LEU A 60 -2.374 -0.911 3.717 1.00 45.34 H new ATOM 0 HD13 LEU A 60 -1.646 0.092 4.994 1.00 45.34 H new ATOM 0 HD21 LEU A 60 -2.991 2.718 4.107 1.00 50.04 H new ATOM 0 HD22 LEU A 60 -1.267 2.585 4.532 1.00 50.04 H new ATOM 0 HD23 LEU A 60 -1.745 3.241 2.948 1.00 50.04 H new