USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 389 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 Set 1.1: A 127 TYR OH : rot -146:sc= 1.18 USER MOD Set 1.2: A 136 GLN : amide:sc= -3.66! C(o=-2.5!,f=-12!) USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 0.973 (180deg=0.711) USER MOD Single : A 97 LYS NZ :NH3+ 164:sc= -0.0427 (180deg=-0.278) USER MOD Single : A 98 CYS SG : rot -6:sc= 1.11 USER MOD Single : A 99 SER OG : rot 109:sc= 1.26 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 105:sc= 1.18 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 115 SER OG : rot 180:sc= -0.141 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -159:sc= -0.388 USER MOD Single : A 123 CYS SG : rot -15:sc= -5.51! USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 137 ASN : amide:sc=-0.00643 X(o=-0.0064,f=-0.26) USER MOD Single : A 139 SER OG : rot 127:sc= 1.23 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N TRP A 92 -8.935 3.665 -3.689 1.00 0.00 N ATOM 116 CA TRP A 92 -7.797 3.391 -4.543 1.00 0.00 C ATOM 117 C TRP A 92 -8.187 2.516 -5.719 1.00 0.00 C ATOM 118 O TRP A 92 -9.259 1.877 -5.697 1.00 0.00 O ATOM 119 CB TRP A 92 -6.738 2.673 -3.730 1.00 0.00 C ATOM 120 CG TRP A 92 -6.233 3.443 -2.551 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.707 3.403 -1.271 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.140 4.349 -2.543 1.00 0.00 C ATOM 123 NE1 TRP A 92 -5.973 4.235 -0.473 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.002 4.829 -1.231 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.263 4.799 -3.523 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.018 5.738 -0.875 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.291 5.691 -3.172 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.172 6.153 -1.860 1.00 0.00 C ATOM 0 HA TRP A 92 -7.419 4.338 -4.928 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.147 1.725 -3.381 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.896 2.437 -4.381 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.540 2.802 -0.938 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.125 4.388 0.524 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.349 4.450 -4.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.926 6.101 0.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.601 6.046 -3.923 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.390 6.857 -1.619 1.00 0.00 H new ATOM 139 N LYS A 93 -7.346 2.504 -6.747 1.00 0.00 N ATOM 140 CA LYS A 93 -7.528 1.628 -7.886 1.00 0.00 C ATOM 141 C LYS A 93 -6.190 0.932 -8.152 1.00 0.00 C ATOM 142 O LYS A 93 -5.150 1.359 -7.631 1.00 0.00 O ATOM 143 CB LYS A 93 -7.997 2.410 -9.139 1.00 0.00 C ATOM 144 CG LYS A 93 -6.887 3.130 -9.905 1.00 0.00 C ATOM 145 CD LYS A 93 -7.425 4.059 -10.981 1.00 0.00 C ATOM 146 CE LYS A 93 -8.116 5.273 -10.372 1.00 0.00 C ATOM 147 NZ LYS A 93 -7.181 6.091 -9.564 1.00 0.00 N ATOM 0 H LYS A 93 -6.522 3.102 -6.809 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.306 0.897 -7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.494 1.716 -9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.742 3.145 -8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.281 3.705 -9.204 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.230 2.391 -10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.607 4.388 -11.622 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.128 3.517 -11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.541 5.886 -11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.945 4.943 -9.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.671 6.943 -9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.846 5.535 -8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.369 6.370 -10.150 1.00 0.00 H new ATOM 161 N VAL A 94 -6.216 -0.140 -8.902 1.00 0.00 N ATOM 162 CA VAL A 94 -5.008 -0.858 -9.255 1.00 0.00 C ATOM 163 C VAL A 94 -4.109 0.042 -10.103 1.00 0.00 C ATOM 164 O VAL A 94 -4.589 0.710 -11.033 1.00 0.00 O ATOM 165 CB VAL A 94 -5.350 -2.162 -10.028 1.00 0.00 C ATOM 166 CG1 VAL A 94 -4.097 -2.868 -10.508 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.165 -3.091 -9.146 1.00 0.00 C ATOM 0 H VAL A 94 -7.071 -0.543 -9.287 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.482 -1.135 -8.342 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.937 -1.888 -10.905 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.374 -3.776 -11.044 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.540 -2.209 -11.174 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.475 -3.128 -9.651 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.400 -4.002 -9.696 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.591 -3.343 -8.255 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.091 -2.595 -8.853 1.00 0.00 H new ATOM 177 N GLY A 95 -2.841 0.101 -9.756 1.00 0.00 N ATOM 178 CA GLY A 95 -1.909 0.899 -10.506 1.00 0.00 C ATOM 179 C GLY A 95 -1.726 2.289 -9.944 1.00 0.00 C ATOM 180 O GLY A 95 -1.147 3.145 -10.595 1.00 0.00 O ATOM 0 H GLY A 95 -2.438 -0.394 -8.961 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.944 0.393 -10.528 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.253 0.974 -11.538 1.00 0.00 H new ATOM 184 N ASP A 96 -2.210 2.522 -8.744 1.00 0.00 N ATOM 185 CA ASP A 96 -2.035 3.825 -8.102 1.00 0.00 C ATOM 186 C ASP A 96 -0.885 3.779 -7.183 1.00 0.00 C ATOM 187 O ASP A 96 -0.547 2.728 -6.626 1.00 0.00 O ATOM 188 CB ASP A 96 -3.274 4.333 -7.331 1.00 0.00 C ATOM 189 CG ASP A 96 -4.413 4.843 -8.187 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.175 5.338 -9.310 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.582 4.799 -7.730 1.00 0.00 O ATOM 0 H ASP A 96 -2.725 1.838 -8.189 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.868 4.531 -8.916 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.648 3.522 -6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.960 5.134 -6.661 1.00 0.00 H new ATOM 196 N LYS A 97 -0.275 4.890 -7.056 1.00 0.00 N ATOM 197 CA LYS A 97 0.865 5.073 -6.234 1.00 0.00 C ATOM 198 C LYS A 97 0.426 5.396 -4.851 1.00 0.00 C ATOM 199 O LYS A 97 -0.518 6.178 -4.653 1.00 0.00 O ATOM 200 CB LYS A 97 1.640 6.217 -6.794 1.00 0.00 C ATOM 201 CG LYS A 97 2.090 5.955 -8.199 1.00 0.00 C ATOM 202 CD LYS A 97 3.380 5.178 -8.213 1.00 0.00 C ATOM 203 CE LYS A 97 3.857 4.944 -9.610 1.00 0.00 C ATOM 204 NZ LYS A 97 4.201 6.211 -10.287 1.00 0.00 N ATOM 0 H LYS A 97 -0.565 5.739 -7.541 1.00 0.00 H new ATOM 0 HA LYS A 97 1.476 4.171 -6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.025 7.117 -6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.509 6.409 -6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.320 5.399 -8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.224 6.900 -8.725 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.141 5.722 -7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.237 4.222 -7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.730 4.292 -9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.084 4.426 -10.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.772 6.009 -11.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.329 6.702 -10.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.745 6.815 -9.638 1.00 0.00 H new ATOM 218 N CYS A 98 1.102 4.843 -3.919 1.00 0.00 N ATOM 219 CA CYS A 98 0.782 5.027 -2.531 1.00 0.00 C ATOM 220 C CYS A 98 2.017 4.785 -1.672 1.00 0.00 C ATOM 221 O CYS A 98 3.132 4.658 -2.183 1.00 0.00 O ATOM 222 CB CYS A 98 -0.366 4.073 -2.129 1.00 0.00 C ATOM 223 SG CYS A 98 -0.018 2.331 -2.398 1.00 0.00 S ATOM 0 H CYS A 98 1.907 4.239 -4.086 1.00 0.00 H new ATOM 0 HA CYS A 98 0.452 6.053 -2.369 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.596 4.226 -1.074 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.259 4.343 -2.692 1.00 0.00 H new ATOM 0 HG CYS A 98 1.115 2.206 -3.023 1.00 0.00 H new ATOM 229 N SER A 99 1.826 4.770 -0.405 1.00 0.00 N ATOM 230 CA SER A 99 2.842 4.424 0.519 1.00 0.00 C ATOM 231 C SER A 99 2.244 3.424 1.449 1.00 0.00 C ATOM 232 O SER A 99 1.034 3.486 1.745 1.00 0.00 O ATOM 233 CB SER A 99 3.333 5.619 1.303 1.00 0.00 C ATOM 234 OG SER A 99 3.660 6.708 0.451 1.00 0.00 O ATOM 0 H SER A 99 0.934 5.004 0.031 1.00 0.00 H new ATOM 0 HA SER A 99 3.706 4.027 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.566 5.929 2.012 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.210 5.337 1.886 1.00 0.00 H new ATOM 0 HG SER A 99 2.996 7.420 0.561 1.00 0.00 H new ATOM 240 N ALA A 100 3.036 2.532 1.896 1.00 0.00 N ATOM 241 CA ALA A 100 2.581 1.462 2.710 1.00 0.00 C ATOM 242 C ALA A 100 3.552 1.228 3.832 1.00 0.00 C ATOM 243 O ALA A 100 4.696 1.698 3.780 1.00 0.00 O ATOM 244 CB ALA A 100 2.410 0.224 1.860 1.00 0.00 C ATOM 0 H ALA A 100 4.038 2.518 1.707 1.00 0.00 H new ATOM 0 HA ALA A 100 1.615 1.712 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.061 -0.600 2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.680 0.420 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.366 -0.042 1.409 1.00 0.00 H new ATOM 250 N ILE A 101 3.094 0.560 4.847 1.00 0.00 N ATOM 251 CA ILE A 101 3.908 0.239 5.988 1.00 0.00 C ATOM 252 C ILE A 101 4.526 -1.110 5.745 1.00 0.00 C ATOM 253 O ILE A 101 3.807 -2.097 5.581 1.00 0.00 O ATOM 254 CB ILE A 101 3.064 0.181 7.315 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.652 1.578 7.778 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.816 -0.546 8.441 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.805 2.402 8.309 1.00 0.00 C ATOM 0 H ILE A 101 2.135 0.217 4.910 1.00 0.00 H new ATOM 0 HA ILE A 101 4.663 1.015 6.110 1.00 0.00 H new ATOM 0 HB ILE A 101 2.163 -0.388 7.086 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.191 2.107 6.944 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.893 1.486 8.555 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.198 -0.564 9.339 1.00 0.00 H new ATOM 0 HG22 ILE A 101 4.035 -1.568 8.131 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.749 -0.023 8.653 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.440 3.381 8.619 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.252 1.894 9.163 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.554 2.525 7.527 1.00 0.00 H new ATOM 269 N TRP A 102 5.832 -1.151 5.690 1.00 0.00 N ATOM 270 CA TRP A 102 6.532 -2.389 5.494 1.00 0.00 C ATOM 271 C TRP A 102 6.300 -3.253 6.699 1.00 0.00 C ATOM 272 O TRP A 102 6.666 -2.867 7.787 1.00 0.00 O ATOM 273 CB TRP A 102 8.023 -2.138 5.338 1.00 0.00 C ATOM 274 CG TRP A 102 8.777 -3.313 4.810 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.280 -4.306 4.036 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.163 -3.595 4.970 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.256 -5.188 3.708 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.425 -4.779 4.263 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.205 -2.970 5.636 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.681 -5.346 4.203 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.459 -3.536 5.580 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.683 -4.714 4.866 1.00 0.00 C ATOM 0 H TRP A 102 6.434 -0.333 5.779 1.00 0.00 H new ATOM 0 HA TRP A 102 6.166 -2.877 4.590 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.172 -1.291 4.668 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.438 -1.856 6.306 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.249 -4.385 3.723 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.132 -6.024 3.137 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.037 -2.057 6.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.860 -6.257 3.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.281 -3.062 6.096 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.678 -5.133 4.840 1.00 0.00 H new ATOM 293 N SER A 103 5.729 -4.413 6.509 1.00 0.00 N ATOM 294 CA SER A 103 5.389 -5.302 7.613 1.00 0.00 C ATOM 295 C SER A 103 6.642 -5.732 8.390 1.00 0.00 C ATOM 296 O SER A 103 6.549 -6.132 9.544 1.00 0.00 O ATOM 297 CB SER A 103 4.649 -6.535 7.078 1.00 0.00 C ATOM 298 OG SER A 103 4.023 -7.300 8.108 1.00 0.00 O ATOM 0 H SER A 103 5.482 -4.778 5.589 1.00 0.00 H new ATOM 0 HA SER A 103 4.740 -4.759 8.300 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.894 -6.215 6.360 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.353 -7.169 6.539 1.00 0.00 H new ATOM 0 HG SER A 103 3.566 -8.071 7.711 1.00 0.00 H new ATOM 304 N GLU A 104 7.801 -5.606 7.771 1.00 0.00 N ATOM 305 CA GLU A 104 9.021 -6.055 8.384 1.00 0.00 C ATOM 306 C GLU A 104 9.610 -4.999 9.308 1.00 0.00 C ATOM 307 O GLU A 104 10.069 -5.316 10.400 1.00 0.00 O ATOM 308 CB GLU A 104 10.036 -6.421 7.329 1.00 0.00 C ATOM 309 CG GLU A 104 9.540 -7.429 6.320 1.00 0.00 C ATOM 310 CD GLU A 104 9.224 -8.779 6.916 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.141 -9.608 7.050 1.00 0.00 O ATOM 312 OE2 GLU A 104 8.050 -9.050 7.237 1.00 0.00 O ATOM 0 H GLU A 104 7.916 -5.195 6.844 1.00 0.00 H new ATOM 0 HA GLU A 104 8.778 -6.934 8.981 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.340 -5.516 6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.925 -6.820 7.818 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.645 -7.036 5.837 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.294 -7.552 5.542 1.00 0.00 H new ATOM 319 N ASP A 105 9.593 -3.746 8.883 1.00 0.00 N ATOM 320 CA ASP A 105 10.248 -2.696 9.683 1.00 0.00 C ATOM 321 C ASP A 105 9.233 -1.748 10.268 1.00 0.00 C ATOM 322 O ASP A 105 9.508 -1.025 11.214 1.00 0.00 O ATOM 323 CB ASP A 105 11.221 -1.912 8.812 1.00 0.00 C ATOM 324 CG ASP A 105 12.120 -0.994 9.601 1.00 0.00 C ATOM 325 OD1 ASP A 105 13.034 -1.482 10.274 1.00 0.00 O ATOM 326 OD2 ASP A 105 11.930 0.223 9.559 1.00 0.00 O ATOM 0 H ASP A 105 9.152 -3.427 8.020 1.00 0.00 H new ATOM 0 HA ASP A 105 10.786 -3.180 10.498 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.835 -2.612 8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.657 -1.323 8.088 1.00 0.00 H new ATOM 331 N GLY A 106 8.052 -1.764 9.712 1.00 0.00 N ATOM 332 CA GLY A 106 6.981 -0.925 10.213 1.00 0.00 C ATOM 333 C GLY A 106 7.037 0.488 9.682 1.00 0.00 C ATOM 334 O GLY A 106 6.278 1.342 10.113 1.00 0.00 O ATOM 0 H GLY A 106 7.801 -2.346 8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.023 -1.370 9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.026 -0.900 11.302 1.00 0.00 H new ATOM 338 N CYS A 107 7.943 0.748 8.775 1.00 0.00 N ATOM 339 CA CYS A 107 8.083 2.079 8.233 1.00 0.00 C ATOM 340 C CYS A 107 7.288 2.296 6.965 1.00 0.00 C ATOM 341 O CYS A 107 6.896 1.337 6.296 1.00 0.00 O ATOM 342 CB CYS A 107 9.532 2.430 8.040 1.00 0.00 C ATOM 343 SG CYS A 107 10.430 2.658 9.573 1.00 0.00 S ATOM 0 H CYS A 107 8.594 0.060 8.396 1.00 0.00 H new ATOM 0 HA CYS A 107 7.657 2.759 8.971 1.00 0.00 H new ATOM 0 HB2 CYS A 107 10.013 1.642 7.461 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.599 3.344 7.451 1.00 0.00 H new ATOM 0 HG CYS A 107 11.187 1.624 9.791 1.00 0.00 H new ATOM 349 N ILE A 108 7.070 3.558 6.644 1.00 0.00 N ATOM 350 CA ILE A 108 6.396 3.967 5.425 1.00 0.00 C ATOM 351 C ILE A 108 7.380 3.887 4.286 1.00 0.00 C ATOM 352 O ILE A 108 8.504 4.377 4.399 1.00 0.00 O ATOM 353 CB ILE A 108 5.911 5.446 5.492 1.00 0.00 C ATOM 354 CG1 ILE A 108 4.929 5.677 6.629 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.266 5.845 4.173 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.563 5.085 6.399 1.00 0.00 C ATOM 0 H ILE A 108 7.360 4.340 7.232 1.00 0.00 H new ATOM 0 HA ILE A 108 5.536 3.311 5.289 1.00 0.00 H new ATOM 0 HB ILE A 108 6.788 6.065 5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.345 5.256 7.544 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.825 6.750 6.791 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.931 6.880 4.231 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.993 5.743 3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.412 5.197 3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.926 5.296 7.258 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.122 5.524 5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.651 4.006 6.269 1.00 0.00 H new ATOM 368 N TYR A 109 6.983 3.262 3.235 1.00 0.00 N ATOM 369 CA TYR A 109 7.767 3.193 2.028 1.00 0.00 C ATOM 370 C TYR A 109 6.857 3.364 0.840 1.00 0.00 C ATOM 371 O TYR A 109 5.669 3.017 0.923 1.00 0.00 O ATOM 372 CB TYR A 109 8.518 1.874 1.921 1.00 0.00 C ATOM 373 CG TYR A 109 9.645 1.706 2.907 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.898 2.232 2.648 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.462 0.995 4.078 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.936 2.055 3.534 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.487 0.806 4.963 1.00 0.00 C ATOM 378 CZ TYR A 109 11.725 1.337 4.691 1.00 0.00 C ATOM 379 OH TYR A 109 12.759 1.157 5.577 1.00 0.00 O ATOM 0 H TYR A 109 6.090 2.772 3.177 1.00 0.00 H new ATOM 0 HA TYR A 109 8.508 3.992 2.052 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.810 1.057 2.058 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.920 1.782 0.912 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.064 2.789 1.738 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.490 0.580 4.299 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.908 2.476 3.324 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.325 0.243 5.870 1.00 0.00 H new ATOM 0 HH TYR A 109 12.446 0.630 6.342 1.00 0.00 H new ATOM 389 N PRO A 110 7.370 3.924 -0.264 1.00 0.00 N ATOM 390 CA PRO A 110 6.587 4.112 -1.478 1.00 0.00 C ATOM 391 C PRO A 110 6.265 2.775 -2.138 1.00 0.00 C ATOM 392 O PRO A 110 7.147 1.917 -2.308 1.00 0.00 O ATOM 393 CB PRO A 110 7.511 4.943 -2.376 1.00 0.00 C ATOM 394 CG PRO A 110 8.888 4.644 -1.889 1.00 0.00 C ATOM 395 CD PRO A 110 8.759 4.412 -0.417 1.00 0.00 C ATOM 0 HA PRO A 110 5.627 4.591 -1.287 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.394 4.669 -3.425 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.286 6.007 -2.298 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.297 3.766 -2.389 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.565 5.473 -2.096 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.483 3.679 -0.061 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.927 5.328 0.150 1.00 0.00 H new ATOM 403 N ALA A 111 5.032 2.589 -2.496 1.00 0.00 N ATOM 404 CA ALA A 111 4.601 1.373 -3.102 1.00 0.00 C ATOM 405 C ALA A 111 3.478 1.641 -4.060 1.00 0.00 C ATOM 406 O ALA A 111 2.689 2.543 -3.863 1.00 0.00 O ATOM 407 CB ALA A 111 4.152 0.383 -2.047 1.00 0.00 C ATOM 0 H ALA A 111 4.294 3.282 -2.374 1.00 0.00 H new ATOM 0 HA ALA A 111 5.441 0.945 -3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.827 -0.539 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.982 0.168 -1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.324 0.807 -1.479 1.00 0.00 H new ATOM 413 N THR A 112 3.379 0.865 -5.067 1.00 0.00 N ATOM 414 CA THR A 112 2.326 1.048 -6.009 1.00 0.00 C ATOM 415 C THR A 112 1.386 -0.141 -5.871 1.00 0.00 C ATOM 416 O THR A 112 1.828 -1.244 -5.552 1.00 0.00 O ATOM 417 CB THR A 112 2.915 1.118 -7.440 1.00 0.00 C ATOM 418 OG1 THR A 112 4.073 1.988 -7.441 1.00 0.00 O ATOM 419 CG2 THR A 112 1.898 1.678 -8.416 1.00 0.00 C ATOM 0 H THR A 112 4.012 0.091 -5.269 1.00 0.00 H new ATOM 0 HA THR A 112 1.787 1.977 -5.824 1.00 0.00 H new ATOM 0 HB THR A 112 3.189 0.108 -7.745 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.448 2.032 -8.345 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.335 1.717 -9.414 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.017 1.037 -8.431 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.611 2.683 -8.106 1.00 0.00 H new ATOM 427 N ILE A 113 0.121 0.082 -6.090 1.00 0.00 N ATOM 428 CA ILE A 113 -0.873 -0.952 -5.944 1.00 0.00 C ATOM 429 C ILE A 113 -0.829 -1.889 -7.130 1.00 0.00 C ATOM 430 O ILE A 113 -0.907 -1.447 -8.281 1.00 0.00 O ATOM 431 CB ILE A 113 -2.277 -0.344 -5.818 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.299 0.651 -4.659 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.305 -1.443 -5.593 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.581 1.414 -4.531 1.00 0.00 C ATOM 0 H ILE A 113 -0.254 0.986 -6.375 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.651 -1.511 -5.035 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.528 0.179 -6.741 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.115 0.113 -3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.479 1.358 -4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.297 -1.001 -5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.289 -2.134 -6.436 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.066 -1.983 -4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.514 2.098 -3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.759 1.982 -5.444 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.404 0.718 -4.371 1.00 0.00 H new ATOM 446 N ALA A 114 -0.688 -3.156 -6.858 1.00 0.00 N ATOM 447 CA ALA A 114 -0.623 -4.152 -7.893 1.00 0.00 C ATOM 448 C ALA A 114 -1.967 -4.821 -8.088 1.00 0.00 C ATOM 449 O ALA A 114 -2.338 -5.164 -9.208 1.00 0.00 O ATOM 450 CB ALA A 114 0.440 -5.179 -7.571 1.00 0.00 C ATOM 0 H ALA A 114 -0.615 -3.529 -5.911 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.356 -3.655 -8.826 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.476 -5.926 -8.364 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.409 -4.687 -7.491 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.201 -5.666 -6.625 1.00 0.00 H new ATOM 456 N SER A 115 -2.702 -5.007 -7.011 1.00 0.00 N ATOM 457 CA SER A 115 -4.006 -5.654 -7.073 1.00 0.00 C ATOM 458 C SER A 115 -4.792 -5.252 -5.844 1.00 0.00 C ATOM 459 O SER A 115 -4.195 -5.005 -4.811 1.00 0.00 O ATOM 460 CB SER A 115 -3.844 -7.188 -7.087 1.00 0.00 C ATOM 461 OG SER A 115 -2.994 -7.628 -8.153 1.00 0.00 O ATOM 0 H SER A 115 -2.420 -4.719 -6.074 1.00 0.00 H new ATOM 0 HA SER A 115 -4.523 -5.348 -7.982 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.430 -7.518 -6.134 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.824 -7.655 -7.188 1.00 0.00 H new ATOM 0 HG SER A 115 -2.915 -8.604 -8.127 1.00 0.00 H new ATOM 467 N ILE A 116 -6.094 -5.152 -5.959 1.00 0.00 N ATOM 468 CA ILE A 116 -6.948 -4.813 -4.850 1.00 0.00 C ATOM 469 C ILE A 116 -8.031 -5.856 -4.692 1.00 0.00 C ATOM 470 O ILE A 116 -8.576 -6.351 -5.681 1.00 0.00 O ATOM 471 CB ILE A 116 -7.642 -3.450 -5.076 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.623 -2.335 -5.221 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.622 -3.139 -3.948 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.230 -1.035 -5.601 1.00 0.00 C ATOM 0 H ILE A 116 -6.594 -5.305 -6.835 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.321 -4.765 -3.960 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.206 -3.517 -6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.087 -2.217 -4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.887 -2.619 -5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.095 -2.175 -4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.385 -3.916 -3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.086 -3.104 -3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.448 -0.280 -5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.743 -1.139 -6.557 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -7.945 -0.730 -4.837 1.00 0.00 H new ATOM 486 N ASP A 117 -8.301 -6.209 -3.475 1.00 0.00 N ATOM 487 CA ASP A 117 -9.424 -7.030 -3.159 1.00 0.00 C ATOM 488 C ASP A 117 -10.360 -6.167 -2.378 1.00 0.00 C ATOM 489 O ASP A 117 -10.158 -5.935 -1.178 1.00 0.00 O ATOM 490 CB ASP A 117 -9.073 -8.275 -2.362 1.00 0.00 C ATOM 491 CG ASP A 117 -10.245 -9.231 -2.304 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.374 -10.091 -3.208 1.00 0.00 O ATOM 493 OD2 ASP A 117 -11.059 -9.138 -1.376 1.00 0.00 O ATOM 0 H ASP A 117 -7.743 -5.933 -2.667 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.863 -7.404 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.216 -8.772 -2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.779 -7.993 -1.351 1.00 0.00 H new ATOM 498 N PHE A 118 -11.347 -5.647 -3.047 1.00 0.00 N ATOM 499 CA PHE A 118 -12.273 -4.705 -2.451 1.00 0.00 C ATOM 500 C PHE A 118 -13.107 -5.363 -1.367 1.00 0.00 C ATOM 501 O PHE A 118 -13.592 -4.695 -0.455 1.00 0.00 O ATOM 502 CB PHE A 118 -13.172 -4.083 -3.517 1.00 0.00 C ATOM 503 CG PHE A 118 -12.429 -3.304 -4.580 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.031 -1.992 -4.353 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.136 -3.886 -5.807 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.358 -1.277 -5.329 1.00 0.00 C ATOM 507 CE2 PHE A 118 -11.465 -3.173 -6.787 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.076 -1.869 -6.547 1.00 0.00 C ATOM 0 H PHE A 118 -11.541 -5.860 -4.026 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.687 -3.911 -1.987 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.747 -4.874 -3.998 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -13.888 -3.420 -3.031 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.249 -1.525 -3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.435 -4.906 -5.999 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.054 -0.258 -5.140 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.246 -3.636 -7.738 1.00 0.00 H new ATOM 0 HZ PHE A 118 -10.552 -1.312 -7.310 1.00 0.00 H new ATOM 518 N LYS A 119 -13.249 -6.670 -1.456 1.00 0.00 N ATOM 519 CA LYS A 119 -14.011 -7.419 -0.490 1.00 0.00 C ATOM 520 C LYS A 119 -13.282 -7.529 0.836 1.00 0.00 C ATOM 521 O LYS A 119 -13.899 -7.449 1.897 1.00 0.00 O ATOM 522 CB LYS A 119 -14.388 -8.776 -1.057 1.00 0.00 C ATOM 523 CG LYS A 119 -15.281 -8.665 -2.285 1.00 0.00 C ATOM 524 CD LYS A 119 -16.597 -7.990 -1.929 1.00 0.00 C ATOM 525 CE LYS A 119 -17.511 -7.808 -3.123 1.00 0.00 C ATOM 526 NZ LYS A 119 -18.776 -7.157 -2.724 1.00 0.00 N ATOM 0 H LYS A 119 -12.839 -7.237 -2.199 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.934 -6.878 -0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.482 -9.322 -1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.900 -9.357 -0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.772 -8.095 -3.062 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.473 -9.657 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -17.110 -8.584 -1.173 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.391 -7.016 -1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -17.010 -7.205 -3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.723 -8.777 -3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -19.386 -7.043 -3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -19.262 -7.746 -2.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -18.572 -6.223 -2.314 1.00 0.00 H new ATOM 540 N ARG A 120 -11.972 -7.680 0.791 1.00 0.00 N ATOM 541 CA ARG A 120 -11.196 -7.700 2.032 1.00 0.00 C ATOM 542 C ARG A 120 -10.842 -6.286 2.457 1.00 0.00 C ATOM 543 O ARG A 120 -10.365 -6.060 3.585 1.00 0.00 O ATOM 544 CB ARG A 120 -9.879 -8.432 1.850 1.00 0.00 C ATOM 545 CG ARG A 120 -9.960 -9.880 1.483 1.00 0.00 C ATOM 546 CD ARG A 120 -8.565 -10.416 1.240 1.00 0.00 C ATOM 547 NE ARG A 120 -8.574 -11.810 0.826 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.557 -12.443 0.236 1.00 0.00 C ATOM 549 NH1 ARG A 120 -6.381 -11.816 0.024 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.711 -13.711 -0.134 1.00 0.00 N ATOM 0 H ARG A 120 -11.427 -7.789 -0.064 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.814 -8.201 2.777 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.307 -7.917 1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.312 -8.347 2.777 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -10.444 -10.442 2.282 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.571 -10.006 0.589 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.076 -9.815 0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.975 -10.314 2.151 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.424 -12.346 1.000 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -6.260 -10.846 0.316 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.613 -12.312 -0.428 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.597 -14.187 0.034 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.943 -14.207 -0.586 1.00 0.00 H new ATOM 564 N GLU A 121 -11.124 -5.340 1.562 1.00 0.00 N ATOM 565 CA GLU A 121 -10.731 -3.941 1.686 1.00 0.00 C ATOM 566 C GLU A 121 -9.180 -3.869 1.735 1.00 0.00 C ATOM 567 O GLU A 121 -8.590 -2.938 2.286 1.00 0.00 O ATOM 568 CB GLU A 121 -11.388 -3.270 2.927 1.00 0.00 C ATOM 569 CG GLU A 121 -11.248 -1.740 2.966 1.00 0.00 C ATOM 570 CD GLU A 121 -11.823 -1.106 4.210 1.00 0.00 C ATOM 571 OE1 GLU A 121 -13.027 -0.787 4.229 1.00 0.00 O ATOM 572 OE2 GLU A 121 -11.072 -0.878 5.187 1.00 0.00 O ATOM 0 H GLU A 121 -11.647 -5.533 0.708 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.088 -3.381 0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.447 -3.527 2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.942 -3.687 3.830 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.192 -1.479 2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.743 -1.317 2.092 1.00 0.00 H new ATOM 579 N THR A 122 -8.526 -4.828 1.102 1.00 0.00 N ATOM 580 CA THR A 122 -7.092 -4.886 1.118 1.00 0.00 C ATOM 581 C THR A 122 -6.547 -4.925 -0.295 1.00 0.00 C ATOM 582 O THR A 122 -7.262 -5.235 -1.230 1.00 0.00 O ATOM 583 CB THR A 122 -6.562 -6.097 1.920 1.00 0.00 C ATOM 584 OG1 THR A 122 -7.038 -7.326 1.357 1.00 0.00 O ATOM 585 CG2 THR A 122 -6.979 -6.024 3.375 1.00 0.00 C ATOM 0 H THR A 122 -8.976 -5.575 0.572 1.00 0.00 H new ATOM 0 HA THR A 122 -6.743 -3.982 1.618 1.00 0.00 H new ATOM 0 HB THR A 122 -5.474 -6.067 1.864 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.987 -8.036 2.031 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.589 -6.891 3.909 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.581 -5.113 3.822 1.00 0.00 H new ATOM 0 HG23 THR A 122 -8.067 -6.016 3.442 1.00 0.00 H new ATOM 593 N CYS A 123 -5.309 -4.596 -0.445 1.00 0.00 N ATOM 594 CA CYS A 123 -4.667 -4.575 -1.716 1.00 0.00 C ATOM 595 C CYS A 123 -3.214 -4.925 -1.574 1.00 0.00 C ATOM 596 O CYS A 123 -2.626 -4.699 -0.533 1.00 0.00 O ATOM 597 CB CYS A 123 -4.825 -3.204 -2.321 1.00 0.00 C ATOM 598 SG CYS A 123 -4.333 -1.876 -1.218 1.00 0.00 S ATOM 0 H CYS A 123 -4.701 -4.328 0.329 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.128 -5.315 -2.371 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.231 -3.147 -3.233 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.866 -3.060 -2.609 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.238 -2.333 -0.005 1.00 0.00 H new ATOM 604 N VAL A 124 -2.647 -5.448 -2.611 1.00 0.00 N ATOM 605 CA VAL A 124 -1.263 -5.809 -2.620 1.00 0.00 C ATOM 606 C VAL A 124 -0.499 -4.667 -3.225 1.00 0.00 C ATOM 607 O VAL A 124 -0.862 -4.162 -4.307 1.00 0.00 O ATOM 608 CB VAL A 124 -1.009 -7.112 -3.439 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.474 -7.472 -3.468 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.811 -8.264 -2.861 1.00 0.00 C ATOM 0 H VAL A 124 -3.134 -5.640 -3.486 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.935 -6.006 -1.599 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.333 -6.928 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.616 -8.385 -4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.037 -6.660 -3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.830 -7.629 -2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.623 -9.166 -3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.513 -8.431 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.873 -8.023 -2.898 1.00 0.00 H new ATOM 620 N VAL A 125 0.529 -4.254 -2.553 1.00 0.00 N ATOM 621 CA VAL A 125 1.322 -3.157 -2.996 1.00 0.00 C ATOM 622 C VAL A 125 2.731 -3.631 -3.243 1.00 0.00 C ATOM 623 O VAL A 125 3.225 -4.548 -2.575 1.00 0.00 O ATOM 624 CB VAL A 125 1.345 -2.010 -1.936 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.054 -1.458 -1.684 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.987 -2.477 -0.622 1.00 0.00 C ATOM 0 H VAL A 125 0.841 -4.672 -1.677 1.00 0.00 H new ATOM 0 HA VAL A 125 0.885 -2.767 -3.915 1.00 0.00 H new ATOM 0 HB VAL A 125 1.957 -1.205 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.003 -0.662 -0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.462 -1.061 -2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.699 -2.256 -1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.988 -1.656 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.417 -3.313 -0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.012 -2.795 -0.811 1.00 0.00 H new ATOM 636 N VAL A 126 3.348 -3.050 -4.222 1.00 0.00 N ATOM 637 CA VAL A 126 4.693 -3.366 -4.565 1.00 0.00 C ATOM 638 C VAL A 126 5.553 -2.184 -4.233 1.00 0.00 C ATOM 639 O VAL A 126 5.362 -1.100 -4.793 1.00 0.00 O ATOM 640 CB VAL A 126 4.857 -3.683 -6.064 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.312 -4.005 -6.373 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.957 -4.831 -6.480 1.00 0.00 C ATOM 0 H VAL A 126 2.924 -2.334 -4.812 1.00 0.00 H new ATOM 0 HA VAL A 126 4.985 -4.253 -4.003 1.00 0.00 H new ATOM 0 HB VAL A 126 4.561 -2.803 -6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.418 -4.228 -7.435 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.936 -3.149 -6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.625 -4.870 -5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.093 -5.033 -7.542 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.213 -5.721 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.917 -4.565 -6.292 1.00 0.00 H new ATOM 652 N TYR A 127 6.481 -2.387 -3.346 1.00 0.00 N ATOM 653 CA TYR A 127 7.369 -1.341 -2.904 1.00 0.00 C ATOM 654 C TYR A 127 8.307 -0.935 -3.994 1.00 0.00 C ATOM 655 O TYR A 127 9.125 -1.743 -4.478 1.00 0.00 O ATOM 656 CB TYR A 127 8.134 -1.754 -1.672 1.00 0.00 C ATOM 657 CG TYR A 127 7.245 -1.995 -0.502 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.810 -0.934 0.261 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.829 -3.275 -0.159 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.994 -1.125 1.330 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.003 -3.481 0.907 1.00 0.00 C ATOM 662 CZ TYR A 127 5.586 -2.390 1.654 1.00 0.00 C ATOM 663 OH TYR A 127 4.747 -2.556 2.708 1.00 0.00 O ATOM 0 H TYR A 127 6.649 -3.290 -2.902 1.00 0.00 H new ATOM 0 HA TYR A 127 6.754 -0.479 -2.645 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.700 -2.660 -1.887 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.857 -0.978 -1.421 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.123 0.067 0.005 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.164 -4.119 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.669 -0.282 1.922 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.679 -4.478 1.165 1.00 0.00 H new ATOM 0 HH TYR A 127 4.950 -3.403 3.157 1.00 0.00 H new ATOM 673 N THR A 128 8.180 0.295 -4.364 1.00 0.00 N ATOM 674 CA THR A 128 8.930 0.902 -5.403 1.00 0.00 C ATOM 675 C THR A 128 10.422 0.868 -5.077 1.00 0.00 C ATOM 676 O THR A 128 10.844 1.206 -3.961 1.00 0.00 O ATOM 677 CB THR A 128 8.454 2.352 -5.553 1.00 0.00 C ATOM 678 OG1 THR A 128 7.021 2.365 -5.766 1.00 0.00 O ATOM 679 CG2 THR A 128 9.148 3.022 -6.712 1.00 0.00 C ATOM 0 H THR A 128 7.516 0.933 -3.926 1.00 0.00 H new ATOM 0 HA THR A 128 8.779 0.358 -6.335 1.00 0.00 H new ATOM 0 HB THR A 128 8.697 2.900 -4.643 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.713 3.290 -5.861 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.797 4.050 -6.802 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.225 3.020 -6.542 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.925 2.481 -7.632 1.00 0.00 H new ATOM 687 N GLY A 129 11.206 0.429 -6.036 1.00 0.00 N ATOM 688 CA GLY A 129 12.625 0.350 -5.856 1.00 0.00 C ATOM 689 C GLY A 129 13.050 -0.986 -5.314 1.00 0.00 C ATOM 690 O GLY A 129 14.148 -1.456 -5.586 1.00 0.00 O ATOM 0 H GLY A 129 10.876 0.121 -6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.122 0.529 -6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 129 12.949 1.137 -5.175 1.00 0.00 H new ATOM 694 N TYR A 130 12.177 -1.621 -4.576 1.00 0.00 N ATOM 695 CA TYR A 130 12.518 -2.873 -3.939 1.00 0.00 C ATOM 696 C TYR A 130 11.965 -4.043 -4.696 1.00 0.00 C ATOM 697 O TYR A 130 12.648 -5.039 -4.884 1.00 0.00 O ATOM 698 CB TYR A 130 12.040 -2.908 -2.493 1.00 0.00 C ATOM 699 CG TYR A 130 12.589 -1.785 -1.669 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.882 -1.830 -1.195 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.819 -0.670 -1.374 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.396 -0.805 -0.446 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.329 0.364 -0.628 1.00 0.00 C ATOM 704 CZ TYR A 130 13.623 0.288 -0.165 1.00 0.00 C ATOM 705 OH TYR A 130 14.160 1.322 0.573 1.00 0.00 O ATOM 0 H TYR A 130 11.226 -1.296 -4.400 1.00 0.00 H new ATOM 0 HA TYR A 130 13.605 -2.947 -3.943 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.951 -2.866 -2.475 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.330 -3.857 -2.043 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.500 -2.687 -1.418 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.803 -0.614 -1.736 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.410 -0.860 -0.078 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.721 1.228 -0.407 1.00 0.00 H new ATOM 0 HH TYR A 130 13.488 2.026 0.688 1.00 0.00 H new ATOM 715 N GLY A 131 10.738 -3.928 -5.137 1.00 0.00 N ATOM 716 CA GLY A 131 10.117 -5.011 -5.859 1.00 0.00 C ATOM 717 C GLY A 131 9.441 -5.996 -4.928 1.00 0.00 C ATOM 718 O GLY A 131 9.106 -7.119 -5.317 1.00 0.00 O ATOM 0 H GLY A 131 10.152 -3.102 -5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.383 -4.608 -6.557 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.869 -5.530 -6.453 1.00 0.00 H new ATOM 722 N ASN A 132 9.257 -5.593 -3.701 1.00 0.00 N ATOM 723 CA ASN A 132 8.568 -6.422 -2.717 1.00 0.00 C ATOM 724 C ASN A 132 7.106 -6.185 -2.810 1.00 0.00 C ATOM 725 O ASN A 132 6.686 -5.098 -3.157 1.00 0.00 O ATOM 726 CB ASN A 132 8.987 -6.101 -1.299 1.00 0.00 C ATOM 727 CG ASN A 132 10.299 -6.685 -0.862 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.215 -6.916 -1.655 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.406 -6.886 0.413 1.00 0.00 N ATOM 0 H ASN A 132 9.573 -4.691 -3.345 1.00 0.00 H new ATOM 0 HA ASN A 132 8.828 -7.457 -2.938 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.038 -5.018 -1.191 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.209 -6.453 -0.621 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.276 -7.251 0.801 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.620 -6.680 1.030 1.00 0.00 H new ATOM 736 N ARG A 133 6.335 -7.165 -2.473 1.00 0.00 N ATOM 737 CA ARG A 133 4.905 -7.039 -2.523 1.00 0.00 C ATOM 738 C ARG A 133 4.262 -7.623 -1.283 1.00 0.00 C ATOM 739 O ARG A 133 4.675 -8.681 -0.801 1.00 0.00 O ATOM 740 CB ARG A 133 4.348 -7.624 -3.850 1.00 0.00 C ATOM 741 CG ARG A 133 4.725 -9.075 -4.177 1.00 0.00 C ATOM 742 CD ARG A 133 3.834 -10.103 -3.497 1.00 0.00 C ATOM 743 NE ARG A 133 4.235 -11.476 -3.849 1.00 0.00 N ATOM 744 CZ ARG A 133 3.684 -12.593 -3.352 1.00 0.00 C ATOM 745 NH1 ARG A 133 2.684 -12.520 -2.494 1.00 0.00 N ATOM 746 NH2 ARG A 133 4.128 -13.782 -3.733 1.00 0.00 N ATOM 0 H ARG A 133 6.670 -8.075 -2.156 1.00 0.00 H new ATOM 0 HA ARG A 133 4.641 -5.981 -2.523 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.261 -7.553 -3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.688 -6.991 -4.670 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.675 -9.220 -5.256 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.759 -9.249 -3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.885 -9.973 -2.416 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.797 -9.939 -3.789 1.00 0.00 H new ATOM 0 HE ARG A 133 4.992 -11.586 -4.524 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.325 -11.610 -2.205 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.270 -13.374 -2.120 1.00 0.00 H new ATOM 0 HH21 ARG A 133 4.891 -13.850 -4.406 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.707 -14.630 -3.353 1.00 0.00 H new ATOM 760 N GLU A 134 3.316 -6.921 -0.740 1.00 0.00 N ATOM 761 CA GLU A 134 2.607 -7.362 0.435 1.00 0.00 C ATOM 762 C GLU A 134 1.226 -6.725 0.431 1.00 0.00 C ATOM 763 O GLU A 134 1.004 -5.748 -0.289 1.00 0.00 O ATOM 764 CB GLU A 134 3.364 -7.070 1.738 1.00 0.00 C ATOM 765 CG GLU A 134 3.165 -5.706 2.273 1.00 0.00 C ATOM 766 CD GLU A 134 3.737 -5.526 3.647 1.00 0.00 C ATOM 767 OE1 GLU A 134 3.119 -6.012 4.602 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.817 -4.914 3.805 1.00 0.00 O ATOM 0 H GLU A 134 3.007 -6.017 -1.098 1.00 0.00 H new ATOM 0 HA GLU A 134 2.516 -8.448 0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.052 -7.791 2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.429 -7.227 1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.625 -4.986 1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.098 -5.483 2.298 1.00 0.00 H new ATOM 775 N GLU A 135 0.301 -7.311 1.135 1.00 0.00 N ATOM 776 CA GLU A 135 -1.055 -6.842 1.141 1.00 0.00 C ATOM 777 C GLU A 135 -1.332 -5.927 2.337 1.00 0.00 C ATOM 778 O GLU A 135 -1.032 -6.263 3.493 1.00 0.00 O ATOM 779 CB GLU A 135 -1.991 -8.012 1.161 1.00 0.00 C ATOM 780 CG GLU A 135 -3.390 -7.671 0.724 1.00 0.00 C ATOM 781 CD GLU A 135 -4.320 -8.854 0.698 1.00 0.00 C ATOM 782 OE1 GLU A 135 -4.913 -9.176 1.734 1.00 0.00 O ATOM 783 OE2 GLU A 135 -4.500 -9.462 -0.363 1.00 0.00 O ATOM 0 H GLU A 135 0.466 -8.129 1.722 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.215 -6.257 0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.597 -8.793 0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -2.024 -8.423 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.797 -6.915 1.395 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.353 -7.227 -0.271 1.00 0.00 H new ATOM 790 N GLN A 136 -1.926 -4.813 2.040 1.00 0.00 N ATOM 791 CA GLN A 136 -2.282 -3.770 2.992 1.00 0.00 C ATOM 792 C GLN A 136 -3.723 -3.416 2.837 1.00 0.00 C ATOM 793 O GLN A 136 -4.318 -3.739 1.837 1.00 0.00 O ATOM 794 CB GLN A 136 -1.444 -2.489 2.815 1.00 0.00 C ATOM 795 CG GLN A 136 -0.183 -2.456 3.638 1.00 0.00 C ATOM 796 CD GLN A 136 0.984 -3.075 2.951 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.835 -3.907 2.100 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.146 -2.735 3.386 1.00 0.00 N ATOM 0 H GLN A 136 -2.195 -4.581 1.084 1.00 0.00 H new ATOM 0 HA GLN A 136 -2.080 -4.171 3.985 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.180 -2.384 1.763 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.058 -1.628 3.077 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.056 -1.421 3.884 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.359 -2.975 4.580 1.00 0.00 H new ATOM 0 HE21 GLN A 136 2.231 -2.023 4.111 1.00 0.00 H new ATOM 0 HE22 GLN A 136 2.983 -3.178 3.006 1.00 0.00 H new ATOM 807 N ASN A 137 -4.286 -2.751 3.806 1.00 0.00 N ATOM 808 CA ASN A 137 -5.684 -2.344 3.716 1.00 0.00 C ATOM 809 C ASN A 137 -5.761 -1.069 2.914 1.00 0.00 C ATOM 810 O ASN A 137 -4.851 -0.256 2.974 1.00 0.00 O ATOM 811 CB ASN A 137 -6.318 -2.088 5.100 1.00 0.00 C ATOM 812 CG ASN A 137 -6.260 -3.269 6.054 1.00 0.00 C ATOM 813 OD1 ASN A 137 -7.167 -4.101 6.093 1.00 0.00 O ATOM 814 ND2 ASN A 137 -5.221 -3.337 6.849 1.00 0.00 N ATOM 0 H ASN A 137 -3.813 -2.475 4.667 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.235 -3.157 3.243 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.815 -1.239 5.563 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.361 -1.803 4.960 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.146 -4.096 7.526 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.487 -2.631 6.791 1.00 0.00 H new ATOM 821 N LEU A 138 -6.837 -0.891 2.182 1.00 0.00 N ATOM 822 CA LEU A 138 -7.071 0.325 1.385 1.00 0.00 C ATOM 823 C LEU A 138 -7.085 1.554 2.295 1.00 0.00 C ATOM 824 O LEU A 138 -6.608 2.626 1.942 1.00 0.00 O ATOM 825 CB LEU A 138 -8.418 0.210 0.663 1.00 0.00 C ATOM 826 CG LEU A 138 -8.556 -0.958 -0.312 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.991 -1.096 -0.769 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.655 -0.762 -1.510 1.00 0.00 C ATOM 0 H LEU A 138 -7.587 -1.579 2.112 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.270 0.432 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.204 0.126 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.596 1.137 0.117 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.258 -1.869 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -10.073 -1.932 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.632 -1.277 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.304 -0.179 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.768 -1.605 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.928 0.160 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.618 -0.700 -1.179 1.00 0.00 H new ATOM 840 N SER A 139 -7.618 1.364 3.475 1.00 0.00 N ATOM 841 CA SER A 139 -7.710 2.354 4.468 1.00 0.00 C ATOM 842 C SER A 139 -6.357 2.582 5.170 1.00 0.00 C ATOM 843 O SER A 139 -6.116 3.629 5.785 1.00 0.00 O ATOM 844 CB SER A 139 -8.715 1.837 5.424 1.00 0.00 C ATOM 845 OG SER A 139 -9.933 1.546 4.743 1.00 0.00 O ATOM 0 H SER A 139 -8.012 0.468 3.763 1.00 0.00 H new ATOM 0 HA SER A 139 -7.992 3.319 4.047 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.337 0.938 5.910 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.894 2.572 6.209 1.00 0.00 H new ATOM 0 HG SER A 139 -10.203 0.624 4.936 1.00 0.00 H new ATOM 851 N ASP A 140 -5.493 1.609 5.045 1.00 0.00 N ATOM 852 CA ASP A 140 -4.162 1.628 5.659 1.00 0.00 C ATOM 853 C ASP A 140 -3.119 2.169 4.726 1.00 0.00 C ATOM 854 O ASP A 140 -1.979 2.387 5.126 1.00 0.00 O ATOM 855 CB ASP A 140 -3.752 0.246 6.144 1.00 0.00 C ATOM 856 CG ASP A 140 -4.241 -0.063 7.533 1.00 0.00 C ATOM 857 OD1 ASP A 140 -5.460 -0.195 7.744 1.00 0.00 O ATOM 858 OD2 ASP A 140 -3.406 -0.158 8.453 1.00 0.00 O ATOM 0 H ASP A 140 -5.683 0.762 4.509 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.230 2.296 6.518 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.139 -0.504 5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.665 0.168 6.123 1.00 0.00 H new ATOM 863 N LEU A 141 -3.489 2.340 3.486 1.00 0.00 N ATOM 864 CA LEU A 141 -2.621 2.950 2.498 1.00 0.00 C ATOM 865 C LEU A 141 -2.494 4.428 2.748 1.00 0.00 C ATOM 866 O LEU A 141 -3.428 5.074 3.235 1.00 0.00 O ATOM 867 CB LEU A 141 -3.146 2.752 1.083 1.00 0.00 C ATOM 868 CG LEU A 141 -3.252 1.334 0.570 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.677 1.352 -0.881 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.935 0.615 0.732 1.00 0.00 C ATOM 0 H LEU A 141 -4.401 2.062 3.125 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.651 2.462 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.135 3.206 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.500 3.308 0.404 1.00 0.00 H new ATOM 0 HG LEU A 141 -4.002 0.797 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.753 0.329 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.646 1.843 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -2.939 1.896 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -2.029 -0.404 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.163 1.139 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.661 0.591 1.787 1.00 0.00 H new ATOM 882 N LEU A 142 -1.359 4.954 2.439 1.00 0.00 N ATOM 883 CA LEU A 142 -1.123 6.358 2.586 1.00 0.00 C ATOM 884 C LEU A 142 -0.765 6.929 1.236 1.00 0.00 C ATOM 885 O LEU A 142 -0.425 6.176 0.323 1.00 0.00 O ATOM 886 CB LEU A 142 -0.003 6.653 3.610 1.00 0.00 C ATOM 887 CG LEU A 142 -0.215 6.123 5.045 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.177 4.656 5.180 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.503 6.986 6.064 1.00 0.00 C ATOM 0 H LEU A 142 -0.565 4.427 2.077 1.00 0.00 H new ATOM 0 HA LEU A 142 -2.030 6.827 2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.927 6.233 3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.133 7.733 3.663 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.283 6.184 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.011 4.328 6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.429 4.054 4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.230 4.536 4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.334 6.586 7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.572 6.988 5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.120 8.005 6.012 1.00 0.00 H new ATOM 901 N SER A 143 -0.846 8.228 1.103 1.00 0.00 N ATOM 902 CA SER A 143 -0.511 8.906 -0.126 1.00 0.00 C ATOM 903 C SER A 143 1.003 8.717 -0.392 1.00 0.00 C ATOM 904 O SER A 143 1.802 8.639 0.560 1.00 0.00 O ATOM 905 CB SER A 143 -0.886 10.403 -0.003 1.00 0.00 C ATOM 906 OG SER A 143 -0.855 11.071 -1.261 1.00 0.00 O ATOM 0 H SER A 143 -1.149 8.852 1.851 1.00 0.00 H new ATOM 0 HA SER A 143 -1.068 8.491 -0.966 1.00 0.00 H new ATOM 0 HB2 SER A 143 -1.883 10.492 0.429 1.00 0.00 H new ATOM 0 HB3 SER A 143 -0.196 10.893 0.684 1.00 0.00 H new ATOM 0 HG SER A 143 -1.099 12.012 -1.138 1.00 0.00 H new