USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 576 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 144 MET CE :methyl 156:sc= -5.97! (180deg=-4.83) USER MOD Set 1.2: B1919 TYR OH : rot 180:sc= -0.646 USER MOD Set 2.1: A 124 MET CE :methyl -170:sc= -6.04! (180deg=-6.74!) USER MOD Set 2.2: B1916 TYR OH : rot -24:sc= -0.571 USER MOD Single : A 81 SER OG : rot 36:sc= -0.828 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.475 X(o=-0.47,f=-0.029) USER MOD Single : A 109 MET CE :methyl 151:sc= -0.499 (180deg=-1.52!) USER MOD Single : A 110 THR OG1 : rot -106:sc= 0.774 USER MOD Single : A 111 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.79) USER MOD Single : A 115 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0501) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 137 ASN : amide:sc= 0.0561 K(o=0.056,f=-2.7!) USER MOD Single : A 138 TYR OH : rot 150:sc= -0.938 USER MOD Single : A 145 MET CE :methyl -139:sc= -1.95 (180deg=-3.68!) USER MOD Single : B1908 SER OG : rot -110:sc= -1.88! USER MOD Single : B1913 GLN : amide:sc= -2.49 K(o=-2.5,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 81 0.622 9.964 1.955 1.00 0.00 N ATOM 87 CA SER A 81 0.796 8.638 1.376 1.00 0.00 C ATOM 88 C SER A 81 1.614 7.734 2.293 1.00 0.00 C ATOM 89 O SER A 81 1.156 6.665 2.694 1.00 0.00 O ATOM 90 CB SER A 81 1.479 8.742 0.009 1.00 0.00 C ATOM 91 OG SER A 81 0.525 8.900 -1.027 1.00 0.00 O ATOM 0 HA SER A 81 -0.193 8.196 1.255 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.167 9.587 0.006 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.073 7.847 -0.173 1.00 0.00 H new ATOM 0 HG SER A 81 -0.221 9.447 -0.704 1.00 0.00 H new ATOM 97 N GLU A 82 2.829 8.165 2.614 1.00 0.00 N ATOM 98 CA GLU A 82 3.713 7.388 3.477 1.00 0.00 C ATOM 99 C GLU A 82 3.092 7.155 4.851 1.00 0.00 C ATOM 100 O GLU A 82 3.056 6.028 5.341 1.00 0.00 O ATOM 101 CB GLU A 82 5.064 8.089 3.625 1.00 0.00 C ATOM 102 CG GLU A 82 4.962 9.506 4.164 1.00 0.00 C ATOM 103 CD GLU A 82 6.181 10.345 3.833 1.00 0.00 C ATOM 104 OE1 GLU A 82 6.357 10.692 2.646 1.00 0.00 O ATOM 105 OE2 GLU A 82 6.958 10.654 4.759 1.00 0.00 O1- ATOM 0 H GLU A 82 3.225 9.048 2.290 1.00 0.00 H new ATOM 0 HA GLU A 82 3.863 6.416 3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.697 7.502 4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.559 8.114 2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.073 9.984 3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.833 9.471 5.246 1.00 0.00 H new ATOM 112 N GLU A 83 2.608 8.226 5.473 1.00 0.00 N ATOM 113 CA GLU A 83 1.996 8.130 6.796 1.00 0.00 C ATOM 114 C GLU A 83 0.823 7.153 6.794 1.00 0.00 C ATOM 115 O GLU A 83 0.777 6.222 7.598 1.00 0.00 O ATOM 116 CB GLU A 83 1.523 9.508 7.262 1.00 0.00 C ATOM 117 CG GLU A 83 1.512 9.669 8.773 1.00 0.00 C ATOM 118 CD GLU A 83 0.842 10.954 9.217 1.00 0.00 C ATOM 119 OE1 GLU A 83 1.475 12.024 9.098 1.00 0.00 O ATOM 120 OE2 GLU A 83 -0.314 10.890 9.684 1.00 0.00 O1- ATOM 0 H GLU A 83 2.627 9.169 5.084 1.00 0.00 H new ATOM 0 HA GLU A 83 2.751 7.755 7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.170 10.271 6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.518 9.687 6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.995 8.820 9.221 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.537 9.651 9.144 1.00 0.00 H new ATOM 127 N GLU A 84 -0.124 7.374 5.889 1.00 0.00 N ATOM 128 CA GLU A 84 -1.298 6.514 5.785 1.00 0.00 C ATOM 129 C GLU A 84 -0.907 5.096 5.383 1.00 0.00 C ATOM 130 O GLU A 84 -1.394 4.121 5.953 1.00 0.00 O ATOM 131 CB GLU A 84 -2.282 7.084 4.766 1.00 0.00 C ATOM 132 CG GLU A 84 -2.973 8.356 5.230 1.00 0.00 C ATOM 133 CD GLU A 84 -3.907 8.925 4.180 1.00 0.00 C ATOM 134 OE1 GLU A 84 -3.583 8.824 2.979 1.00 0.00 O ATOM 135 OE2 GLU A 84 -4.964 9.472 4.560 1.00 0.00 O1- ATOM 0 H GLU A 84 -0.102 8.141 5.217 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.773 6.477 6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.751 7.288 3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.038 6.331 4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.537 8.148 6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.221 9.102 5.485 1.00 0.00 H new ATOM 142 N LEU A 85 -0.030 4.991 4.392 1.00 0.00 N ATOM 143 CA LEU A 85 0.429 3.701 3.900 1.00 0.00 C ATOM 144 C LEU A 85 1.089 2.891 5.012 1.00 0.00 C ATOM 145 O LEU A 85 0.756 1.725 5.223 1.00 0.00 O ATOM 146 CB LEU A 85 1.397 3.934 2.739 1.00 0.00 C ATOM 147 CG LEU A 85 2.091 2.697 2.159 1.00 0.00 C ATOM 148 CD1 LEU A 85 3.234 2.234 3.049 1.00 0.00 C ATOM 149 CD2 LEU A 85 1.096 1.573 1.928 1.00 0.00 C ATOM 0 H LEU A 85 0.379 5.792 3.911 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.425 3.122 3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.850 4.425 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.167 4.630 3.073 1.00 0.00 H new ATOM 0 HG LEU A 85 2.514 2.979 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.705 1.355 2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.970 3.032 3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.847 1.982 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.614 0.707 1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.629 1.300 2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.329 1.904 1.227 1.00 0.00 H new ATOM 161 N ILE A 86 2.027 3.512 5.722 1.00 0.00 N ATOM 162 CA ILE A 86 2.731 2.844 6.812 1.00 0.00 C ATOM 163 C ILE A 86 1.747 2.372 7.884 1.00 0.00 C ATOM 164 O ILE A 86 1.892 1.281 8.435 1.00 0.00 O ATOM 165 CB ILE A 86 3.795 3.776 7.443 1.00 0.00 C ATOM 166 CG1 ILE A 86 4.823 4.191 6.389 1.00 0.00 C ATOM 167 CG2 ILE A 86 4.494 3.103 8.621 1.00 0.00 C ATOM 168 CD1 ILE A 86 5.425 5.557 6.635 1.00 0.00 C ATOM 0 H ILE A 86 2.317 4.477 5.562 1.00 0.00 H new ATOM 0 HA ILE A 86 3.239 1.975 6.394 1.00 0.00 H new ATOM 0 HB ILE A 86 3.285 4.664 7.817 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.622 3.450 6.362 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.348 4.184 5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.235 3.783 9.042 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.758 2.850 9.385 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.989 2.194 8.279 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.145 5.784 5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.635 6.308 6.633 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.929 5.564 7.601 1.00 0.00 H new ATOM 180 N GLU A 87 0.749 3.199 8.172 1.00 0.00 N ATOM 181 CA GLU A 87 -0.256 2.863 9.173 1.00 0.00 C ATOM 182 C GLU A 87 -1.156 1.736 8.677 1.00 0.00 C ATOM 183 O GLU A 87 -1.452 0.790 9.410 1.00 0.00 O ATOM 184 CB GLU A 87 -1.099 4.093 9.512 1.00 0.00 C ATOM 185 CG GLU A 87 -2.028 3.887 10.698 1.00 0.00 C ATOM 186 CD GLU A 87 -2.272 5.165 11.477 1.00 0.00 C ATOM 187 OE1 GLU A 87 -3.140 5.959 11.058 1.00 0.00 O ATOM 188 OE2 GLU A 87 -1.595 5.371 12.505 1.00 0.00 O1- ATOM 0 H GLU A 87 0.614 4.107 7.727 1.00 0.00 H new ATOM 0 HA GLU A 87 0.259 2.526 10.073 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.435 4.931 9.723 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.692 4.368 8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.981 3.494 10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.601 3.136 11.363 1.00 0.00 H new ATOM 195 N ALA A 88 -1.585 1.842 7.425 1.00 0.00 N ATOM 196 CA ALA A 88 -2.449 0.836 6.823 1.00 0.00 C ATOM 197 C ALA A 88 -1.769 -0.527 6.799 1.00 0.00 C ATOM 198 O ALA A 88 -2.359 -1.532 7.194 1.00 0.00 O ATOM 199 CB ALA A 88 -2.844 1.254 5.417 1.00 0.00 C ATOM 0 H ALA A 88 -1.347 2.617 6.806 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.349 0.754 7.432 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.490 0.493 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.377 2.204 5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.949 1.366 4.806 1.00 0.00 H new ATOM 205 N PHE A 89 -0.523 -0.554 6.338 1.00 0.00 N ATOM 206 CA PHE A 89 0.234 -1.797 6.270 1.00 0.00 C ATOM 207 C PHE A 89 0.496 -2.336 7.668 1.00 0.00 C ATOM 208 O PHE A 89 0.497 -3.546 7.894 1.00 0.00 O ATOM 209 CB PHE A 89 1.556 -1.592 5.520 1.00 0.00 C ATOM 210 CG PHE A 89 1.508 -1.982 4.064 1.00 0.00 C ATOM 211 CD1 PHE A 89 0.822 -3.116 3.648 1.00 0.00 C ATOM 212 CD2 PHE A 89 2.157 -1.212 3.112 1.00 0.00 C ATOM 213 CE1 PHE A 89 0.786 -3.470 2.313 1.00 0.00 C ATOM 214 CE2 PHE A 89 2.124 -1.564 1.775 1.00 0.00 C ATOM 215 CZ PHE A 89 1.437 -2.694 1.376 1.00 0.00 C ATOM 0 H PHE A 89 -0.018 0.268 6.007 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.360 -2.527 5.720 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.844 -0.543 5.594 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.335 -2.172 6.014 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.311 -3.728 4.376 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.695 -0.327 3.418 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.248 -4.354 2.003 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.635 -0.956 1.043 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.409 -2.970 0.332 1.00 0.00 H new ATOM 225 N LYS A 90 0.714 -1.420 8.602 1.00 0.00 N ATOM 226 CA LYS A 90 0.974 -1.777 9.997 1.00 0.00 C ATOM 227 C LYS A 90 -0.118 -2.699 10.533 1.00 0.00 C ATOM 228 O LYS A 90 0.156 -3.650 11.264 1.00 0.00 O ATOM 229 CB LYS A 90 1.068 -0.513 10.858 1.00 0.00 C ATOM 230 CG LYS A 90 2.498 -0.073 11.136 1.00 0.00 C ATOM 231 CD LYS A 90 2.869 -0.245 12.603 1.00 0.00 C ATOM 232 CE LYS A 90 3.701 0.922 13.107 1.00 0.00 C ATOM 233 NZ LYS A 90 3.758 0.962 14.595 1.00 0.00 N1+ ATOM 0 H LYS A 90 0.717 -0.416 8.420 1.00 0.00 H new ATOM 0 HA LYS A 90 1.925 -2.308 10.043 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.537 0.298 10.358 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.560 -0.690 11.806 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.183 -0.653 10.518 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.618 0.972 10.851 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.962 -0.332 13.201 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.426 -1.173 12.732 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.712 0.847 12.707 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.280 1.856 12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.335 1.772 14.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.796 1.060 14.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.183 0.082 14.950 1.00 0.00 H new ATOM 247 N VAL A 91 -1.357 -2.414 10.149 1.00 0.00 N ATOM 248 CA VAL A 91 -2.493 -3.220 10.574 1.00 0.00 C ATOM 249 C VAL A 91 -2.371 -4.654 10.060 1.00 0.00 C ATOM 250 O VAL A 91 -2.899 -5.587 10.666 1.00 0.00 O ATOM 251 CB VAL A 91 -3.822 -2.621 10.077 1.00 0.00 C ATOM 252 CG1 VAL A 91 -5.004 -3.362 10.682 1.00 0.00 C ATOM 253 CG2 VAL A 91 -3.891 -1.135 10.399 1.00 0.00 C ATOM 0 H VAL A 91 -1.600 -1.630 9.544 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.490 -3.225 11.664 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.869 -2.737 8.994 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.933 -2.923 10.318 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.961 -4.412 10.394 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.966 -3.282 11.768 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.837 -0.729 10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.820 -0.993 11.477 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.065 -0.618 9.910 1.00 0.00 H new ATOM 263 N PHE A 92 -1.674 -4.824 8.938 1.00 0.00 N ATOM 264 CA PHE A 92 -1.487 -6.143 8.343 1.00 0.00 C ATOM 265 C PHE A 92 -0.072 -6.663 8.584 1.00 0.00 C ATOM 266 O PHE A 92 0.457 -7.435 7.786 1.00 0.00 O ATOM 267 CB PHE A 92 -1.773 -6.091 6.841 1.00 0.00 C ATOM 268 CG PHE A 92 -3.177 -5.673 6.515 1.00 0.00 C ATOM 269 CD1 PHE A 92 -4.236 -6.546 6.707 1.00 0.00 C ATOM 270 CD2 PHE A 92 -3.440 -4.406 6.019 1.00 0.00 C ATOM 271 CE1 PHE A 92 -5.530 -6.164 6.410 1.00 0.00 C ATOM 272 CE2 PHE A 92 -4.731 -4.018 5.720 1.00 0.00 C ATOM 273 CZ PHE A 92 -5.778 -4.899 5.917 1.00 0.00 C ATOM 0 H PHE A 92 -1.230 -4.063 8.424 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.188 -6.828 8.820 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.077 -5.397 6.370 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.585 -7.074 6.409 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.047 -7.537 7.093 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.626 -3.714 5.864 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.346 -6.854 6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.922 -3.028 5.333 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.789 -4.598 5.685 1.00 0.00 H new ATOM 352 N GLY A 98 7.657 -5.709 10.237 1.00 0.00 N ATOM 353 CA GLY A 98 7.126 -4.735 9.301 1.00 0.00 C ATOM 354 C GLY A 98 7.143 -5.235 7.871 1.00 0.00 C ATOM 355 O GLY A 98 7.521 -4.504 6.955 1.00 0.00 O ATOM 0 HA2 GLY A 98 6.103 -4.485 9.583 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.709 -3.816 9.368 1.00 0.00 H new ATOM 359 N LEU A 99 6.729 -6.483 7.676 1.00 0.00 N ATOM 360 CA LEU A 99 6.695 -7.082 6.347 1.00 0.00 C ATOM 361 C LEU A 99 5.307 -7.635 6.039 1.00 0.00 C ATOM 362 O LEU A 99 4.496 -7.829 6.943 1.00 0.00 O ATOM 363 CB LEU A 99 7.737 -8.197 6.239 1.00 0.00 C ATOM 364 CG LEU A 99 9.138 -7.823 6.741 1.00 0.00 C ATOM 365 CD1 LEU A 99 9.720 -8.936 7.600 1.00 0.00 C ATOM 366 CD2 LEU A 99 10.063 -7.513 5.571 1.00 0.00 C ATOM 0 H LEU A 99 6.412 -7.100 8.424 1.00 0.00 H new ATOM 0 HA LEU A 99 6.929 -6.306 5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.384 -9.060 6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.811 -8.505 5.196 1.00 0.00 H new ATOM 0 HG LEU A 99 9.049 -6.928 7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.713 -8.648 7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.073 -9.108 8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.791 -9.851 7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.051 -7.250 5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.142 -8.389 4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.659 -6.678 4.999 1.00 0.00 H new ATOM 378 N ILE A 100 5.038 -7.884 4.762 1.00 0.00 N ATOM 379 CA ILE A 100 3.744 -8.414 4.350 1.00 0.00 C ATOM 380 C ILE A 100 3.878 -9.323 3.131 1.00 0.00 C ATOM 381 O ILE A 100 4.594 -9.004 2.182 1.00 0.00 O ATOM 382 CB ILE A 100 2.745 -7.275 4.045 1.00 0.00 C ATOM 383 CG1 ILE A 100 1.351 -7.848 3.778 1.00 0.00 C ATOM 384 CG2 ILE A 100 3.218 -6.435 2.864 1.00 0.00 C ATOM 385 CD1 ILE A 100 0.245 -6.822 3.895 1.00 0.00 C ATOM 0 H ILE A 100 5.695 -7.728 3.998 1.00 0.00 H new ATOM 0 HA ILE A 100 3.360 -9.004 5.183 1.00 0.00 H new ATOM 0 HB ILE A 100 2.692 -6.624 4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.330 -8.281 2.778 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.159 -8.659 4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.497 -5.641 2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.188 -5.996 3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.307 -7.067 1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.715 -7.297 3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.239 -6.406 4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.413 -6.022 3.174 1.00 0.00 H new ATOM 397 N SER A 101 3.189 -10.459 3.166 1.00 0.00 N ATOM 398 CA SER A 101 3.235 -11.417 2.067 1.00 0.00 C ATOM 399 C SER A 101 2.413 -10.928 0.877 1.00 0.00 C ATOM 400 O SER A 101 1.305 -10.418 1.043 1.00 0.00 O ATOM 401 CB SER A 101 2.721 -12.781 2.530 1.00 0.00 C ATOM 402 OG SER A 101 3.391 -13.835 1.861 1.00 0.00 O ATOM 0 H SER A 101 2.592 -10.739 3.944 1.00 0.00 H new ATOM 0 HA SER A 101 4.273 -11.515 1.750 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.864 -12.880 3.606 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.649 -12.851 2.343 1.00 0.00 H new ATOM 0 HG SER A 101 3.044 -14.696 2.177 1.00 0.00 H new ATOM 408 N ALA A 102 2.965 -11.087 -0.321 1.00 0.00 N ATOM 409 CA ALA A 102 2.287 -10.662 -1.539 1.00 0.00 C ATOM 410 C ALA A 102 1.101 -11.568 -1.856 1.00 0.00 C ATOM 411 O ALA A 102 0.063 -11.105 -2.331 1.00 0.00 O ATOM 412 CB ALA A 102 3.263 -10.644 -2.706 1.00 0.00 C ATOM 0 H ALA A 102 3.881 -11.508 -0.474 1.00 0.00 H new ATOM 0 HA ALA A 102 1.907 -9.653 -1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.744 -10.325 -3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.076 -9.950 -2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.670 -11.644 -2.855 1.00 0.00 H new ATOM 418 N ALA A 103 1.263 -12.862 -1.595 1.00 0.00 N ATOM 419 CA ALA A 103 0.207 -13.835 -1.857 1.00 0.00 C ATOM 420 C ALA A 103 -1.076 -13.479 -1.111 1.00 0.00 C ATOM 421 O ALA A 103 -2.149 -13.396 -1.707 1.00 0.00 O ATOM 422 CB ALA A 103 0.672 -15.231 -1.471 1.00 0.00 C ATOM 0 H ALA A 103 2.116 -13.261 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.011 -13.814 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.124 -15.948 -1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.554 -15.495 -2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.920 -15.251 -0.410 1.00 0.00 H new ATOM 428 N GLU A 104 -0.957 -13.272 0.197 1.00 0.00 N ATOM 429 CA GLU A 104 -2.109 -12.929 1.023 1.00 0.00 C ATOM 430 C GLU A 104 -2.514 -11.472 0.819 1.00 0.00 C ATOM 431 O GLU A 104 -3.699 -11.142 0.818 1.00 0.00 O ATOM 432 CB GLU A 104 -1.799 -13.180 2.500 1.00 0.00 C ATOM 433 CG GLU A 104 -1.570 -14.645 2.833 1.00 0.00 C ATOM 434 CD GLU A 104 -1.697 -14.932 4.316 1.00 0.00 C ATOM 435 OE1 GLU A 104 -2.823 -15.223 4.770 1.00 0.00 O1- ATOM 436 OE2 GLU A 104 -0.670 -14.863 5.025 1.00 0.00 O ATOM 0 H GLU A 104 -0.076 -13.336 0.707 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.941 -13.565 0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.913 -12.610 2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.624 -12.803 3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.289 -15.255 2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.577 -14.940 2.493 1.00 0.00 H new ATOM 443 N LEU A 105 -1.521 -10.604 0.648 1.00 0.00 N ATOM 444 CA LEU A 105 -1.775 -9.181 0.447 1.00 0.00 C ATOM 445 C LEU A 105 -2.643 -8.948 -0.787 1.00 0.00 C ATOM 446 O LEU A 105 -3.462 -8.029 -0.814 1.00 0.00 O ATOM 447 CB LEU A 105 -0.451 -8.422 0.306 1.00 0.00 C ATOM 448 CG LEU A 105 -0.585 -6.930 -0.010 1.00 0.00 C ATOM 449 CD1 LEU A 105 -1.500 -6.250 0.994 1.00 0.00 C ATOM 450 CD2 LEU A 105 0.783 -6.264 -0.025 1.00 0.00 C ATOM 0 H LEU A 105 -0.534 -10.861 0.645 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.312 -8.807 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.113 -8.532 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.137 -8.893 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.029 -6.827 -1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.582 -5.190 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.488 -6.709 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.087 -6.362 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.669 -5.204 -0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.254 -6.378 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.407 -6.732 -0.786 1.00 0.00 H new ATOM 462 N ARG A 106 -2.456 -9.778 -1.805 1.00 0.00 N ATOM 463 CA ARG A 106 -3.220 -9.653 -3.039 1.00 0.00 C ATOM 464 C ARG A 106 -4.706 -9.894 -2.793 1.00 0.00 C ATOM 465 O ARG A 106 -5.547 -9.088 -3.186 1.00 0.00 O ATOM 466 CB ARG A 106 -2.698 -10.637 -4.088 1.00 0.00 C ATOM 467 CG ARG A 106 -3.421 -10.545 -5.422 1.00 0.00 C ATOM 468 CD ARG A 106 -2.572 -11.096 -6.556 1.00 0.00 C ATOM 469 NE ARG A 106 -2.950 -12.465 -6.906 1.00 0.00 N ATOM 470 CZ ARG A 106 -2.253 -13.244 -7.733 1.00 0.00 C ATOM 471 NH1 ARG A 106 -1.137 -12.800 -8.304 1.00 0.00 N1+ ATOM 472 NH2 ARG A 106 -2.674 -14.474 -7.992 1.00 0.00 N ATOM 0 H ARG A 106 -1.783 -10.544 -1.801 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.095 -8.635 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.635 -10.455 -4.247 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.794 -11.652 -3.702 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.359 -11.097 -5.367 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.675 -9.505 -5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.676 -10.456 -7.432 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.521 -11.072 -6.267 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.800 -12.847 -6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.806 -11.855 -8.111 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.612 -13.405 -8.935 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.529 -14.822 -7.559 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.143 -15.072 -8.624 1.00 0.00 H new ATOM 486 N HIS A 107 -5.022 -11.011 -2.145 1.00 0.00 N ATOM 487 CA HIS A 107 -6.409 -11.361 -1.851 1.00 0.00 C ATOM 488 C HIS A 107 -7.054 -10.335 -0.922 1.00 0.00 C ATOM 489 O HIS A 107 -8.198 -9.931 -1.127 1.00 0.00 O ATOM 490 CB HIS A 107 -6.480 -12.753 -1.220 1.00 0.00 C ATOM 491 CG HIS A 107 -7.877 -13.215 -0.938 1.00 0.00 C ATOM 492 ND1 HIS A 107 -8.515 -14.179 -1.689 1.00 0.00 N ATOM 493 CD2 HIS A 107 -8.757 -12.842 0.021 1.00 0.00 C ATOM 494 CE1 HIS A 107 -9.729 -14.379 -1.206 1.00 0.00 C ATOM 495 NE2 HIS A 107 -9.900 -13.582 -0.168 1.00 0.00 N ATOM 0 H HIS A 107 -4.337 -11.690 -1.813 1.00 0.00 H new ATOM 0 HA HIS A 107 -6.961 -11.363 -2.791 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.997 -13.469 -1.885 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.913 -12.750 -0.289 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.592 -12.102 0.790 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.457 -15.076 -1.595 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.744 -13.524 0.402 1.00 0.00 H new ATOM 504 N VAL A 108 -6.313 -9.922 0.100 1.00 0.00 N ATOM 505 CA VAL A 108 -6.811 -8.948 1.067 1.00 0.00 C ATOM 506 C VAL A 108 -7.253 -7.654 0.385 1.00 0.00 C ATOM 507 O VAL A 108 -8.422 -7.276 0.452 1.00 0.00 O ATOM 508 CB VAL A 108 -5.738 -8.620 2.129 1.00 0.00 C ATOM 509 CG1 VAL A 108 -6.294 -7.688 3.198 1.00 0.00 C ATOM 510 CG2 VAL A 108 -5.195 -9.898 2.757 1.00 0.00 C ATOM 0 H VAL A 108 -5.363 -10.247 0.281 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.674 -9.401 1.554 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.916 -8.107 1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.518 -7.473 3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.622 -6.758 2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.140 -8.165 3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.441 -9.645 3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.009 -10.443 3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.746 -10.521 1.984 1.00 0.00 H new ATOM 520 N MET A 109 -6.308 -6.977 -0.255 1.00 0.00 N ATOM 521 CA MET A 109 -6.592 -5.717 -0.930 1.00 0.00 C ATOM 522 C MET A 109 -7.640 -5.880 -2.033 1.00 0.00 C ATOM 523 O MET A 109 -8.560 -5.069 -2.145 1.00 0.00 O ATOM 524 CB MET A 109 -5.296 -5.135 -1.506 1.00 0.00 C ATOM 525 CG MET A 109 -4.905 -3.800 -0.892 1.00 0.00 C ATOM 526 SD MET A 109 -3.605 -3.954 0.348 1.00 0.00 S ATOM 527 CE MET A 109 -4.568 -4.357 1.804 1.00 0.00 C ATOM 0 H MET A 109 -5.336 -7.280 -0.321 1.00 0.00 H new ATOM 0 HA MET A 109 -7.006 -5.029 -0.193 1.00 0.00 H new ATOM 0 HB2 MET A 109 -4.486 -5.848 -1.351 1.00 0.00 H new ATOM 0 HB3 MET A 109 -5.410 -5.011 -2.583 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.570 -3.127 -1.681 1.00 0.00 H new ATOM 0 HG3 MET A 109 -5.784 -3.344 -0.436 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.967 -4.963 2.482 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.868 -3.438 2.308 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.456 -4.916 1.510 1.00 0.00 H new ATOM 537 N THR A 110 -7.495 -6.917 -2.851 1.00 0.00 N ATOM 538 CA THR A 110 -8.434 -7.159 -3.944 1.00 0.00 C ATOM 539 C THR A 110 -9.832 -7.467 -3.422 1.00 0.00 C ATOM 540 O THR A 110 -10.830 -7.067 -4.021 1.00 0.00 O ATOM 541 CB THR A 110 -7.942 -8.302 -4.832 1.00 0.00 C ATOM 542 OG1 THR A 110 -7.820 -9.501 -4.086 1.00 0.00 O ATOM 543 CG2 THR A 110 -6.603 -8.019 -5.478 1.00 0.00 C ATOM 0 H THR A 110 -6.741 -7.601 -2.780 1.00 0.00 H new ATOM 0 HA THR A 110 -8.489 -6.246 -4.537 1.00 0.00 H new ATOM 0 HB THR A 110 -8.691 -8.404 -5.617 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.872 -9.689 -3.921 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.310 -8.868 -6.095 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.681 -7.128 -6.101 1.00 0.00 H new ATOM 0 HG23 THR A 110 -5.853 -7.857 -4.704 1.00 0.00 H new ATOM 551 N ASN A 111 -9.901 -8.177 -2.303 1.00 0.00 N ATOM 552 CA ASN A 111 -11.185 -8.529 -1.709 1.00 0.00 C ATOM 553 C ASN A 111 -11.837 -7.324 -1.030 1.00 0.00 C ATOM 554 O ASN A 111 -13.037 -7.341 -0.751 1.00 0.00 O ATOM 555 CB ASN A 111 -11.009 -9.665 -0.698 1.00 0.00 C ATOM 556 CG ASN A 111 -12.329 -10.298 -0.307 1.00 0.00 C ATOM 557 OD1 ASN A 111 -13.158 -9.673 0.356 1.00 0.00 O ATOM 558 ND2 ASN A 111 -12.531 -11.546 -0.712 1.00 0.00 N ATOM 0 H ASN A 111 -9.088 -8.519 -1.791 1.00 0.00 H new ATOM 0 HA ASN A 111 -11.842 -8.861 -2.513 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.355 -10.427 -1.122 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.515 -9.281 0.194 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -13.400 -12.025 -0.476 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.817 -12.026 -1.260 1.00 0.00 H new ATOM 565 N LEU A 112 -11.052 -6.281 -0.754 1.00 0.00 N ATOM 566 CA LEU A 112 -11.578 -5.087 -0.099 1.00 0.00 C ATOM 567 C LEU A 112 -11.520 -3.862 -1.012 1.00 0.00 C ATOM 568 O LEU A 112 -11.142 -3.954 -2.192 1.00 0.00 O ATOM 569 CB LEU A 112 -10.812 -4.818 1.197 1.00 0.00 C ATOM 570 CG LEU A 112 -9.310 -4.599 1.034 1.00 0.00 C ATOM 571 CD1 LEU A 112 -9.003 -3.123 0.833 1.00 0.00 C ATOM 572 CD2 LEU A 112 -8.564 -5.143 2.244 1.00 0.00 C ATOM 0 H LEU A 112 -10.057 -6.241 -0.973 1.00 0.00 H new ATOM 0 HA LEU A 112 -12.627 -5.273 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.241 -3.938 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.969 -5.658 1.873 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.974 -5.139 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.928 -2.987 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.511 -2.764 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.350 -2.558 1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.494 -4.980 2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.904 -4.628 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.760 -6.211 2.342 1.00 0.00 H new ATOM 584 N GLY A 113 -11.911 -2.715 -0.452 1.00 0.00 N ATOM 585 CA GLY A 113 -11.920 -1.477 -1.205 1.00 0.00 C ATOM 586 C GLY A 113 -12.924 -1.524 -2.332 1.00 0.00 C ATOM 587 O GLY A 113 -14.036 -2.023 -2.160 1.00 0.00 O ATOM 0 H GLY A 113 -12.222 -2.626 0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.156 -0.647 -0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.926 -1.288 -1.609 1.00 0.00 H new ATOM 591 N GLU A 114 -12.526 -1.036 -3.496 1.00 0.00 N ATOM 592 CA GLU A 114 -13.396 -1.060 -4.662 1.00 0.00 C ATOM 593 C GLU A 114 -13.040 -2.262 -5.527 1.00 0.00 C ATOM 594 O GLU A 114 -12.922 -2.155 -6.747 1.00 0.00 O ATOM 595 CB GLU A 114 -13.257 0.237 -5.464 1.00 0.00 C ATOM 596 CG GLU A 114 -11.816 0.671 -5.673 1.00 0.00 C ATOM 597 CD GLU A 114 -11.694 1.850 -6.620 1.00 0.00 C ATOM 598 OE1 GLU A 114 -12.042 1.695 -7.809 1.00 0.00 O1- ATOM 599 OE2 GLU A 114 -11.251 2.927 -6.171 1.00 0.00 O ATOM 0 H GLU A 114 -11.609 -0.620 -3.659 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.433 -1.144 -4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.733 0.106 -6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.796 1.032 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.377 0.935 -4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.241 -0.167 -6.066 1.00 0.00 H new ATOM 606 N LYS A 115 -12.843 -3.407 -4.871 1.00 0.00 N ATOM 607 CA LYS A 115 -12.469 -4.631 -5.561 1.00 0.00 C ATOM 608 C LYS A 115 -11.128 -4.437 -6.256 1.00 0.00 C ATOM 609 O LYS A 115 -11.032 -4.507 -7.483 1.00 0.00 O ATOM 610 CB LYS A 115 -13.547 -5.032 -6.572 1.00 0.00 C ATOM 611 CG LYS A 115 -14.817 -5.561 -5.927 1.00 0.00 C ATOM 612 CD LYS A 115 -14.534 -6.765 -5.042 1.00 0.00 C ATOM 613 CE LYS A 115 -15.728 -7.702 -4.980 1.00 0.00 C ATOM 614 NZ LYS A 115 -16.956 -7.006 -4.506 1.00 0.00 N1+ ATOM 0 H LYS A 115 -12.938 -3.507 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 115 -12.377 -5.435 -4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.795 -4.168 -7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.143 -5.794 -7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.280 -4.773 -5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -15.532 -5.838 -6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.667 -7.303 -5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -14.282 -6.428 -4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.909 -8.125 -5.968 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.502 -8.534 -4.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -17.706 -7.705 -4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.747 -6.495 -3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -17.274 -6.331 -5.230 1.00 0.00 H new ATOM 628 N LEU A 116 -10.085 -4.172 -5.463 1.00 0.00 N ATOM 629 CA LEU A 116 -8.741 -3.945 -6.010 1.00 0.00 C ATOM 630 C LEU A 116 -8.358 -5.011 -7.041 1.00 0.00 C ATOM 631 O LEU A 116 -8.413 -6.209 -6.765 1.00 0.00 O ATOM 632 CB LEU A 116 -7.699 -3.902 -4.887 1.00 0.00 C ATOM 633 CG LEU A 116 -6.654 -2.791 -5.018 1.00 0.00 C ATOM 634 CD1 LEU A 116 -5.604 -2.919 -3.928 1.00 0.00 C ATOM 635 CD2 LEU A 116 -5.999 -2.830 -6.391 1.00 0.00 C ATOM 0 H LEU A 116 -10.143 -4.109 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.758 -2.980 -6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.217 -3.783 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -7.184 -4.862 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.158 -1.831 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.869 -2.122 -4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.082 -2.842 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.107 -3.885 -4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.259 -2.033 -6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.509 -3.793 -6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.759 -2.692 -7.161 1.00 0.00 H new ATOM 647 N THR A 117 -7.977 -4.558 -8.231 1.00 0.00 N ATOM 648 CA THR A 117 -7.592 -5.464 -9.308 1.00 0.00 C ATOM 649 C THR A 117 -6.255 -6.135 -9.012 1.00 0.00 C ATOM 650 O THR A 117 -5.420 -5.591 -8.290 1.00 0.00 O ATOM 651 CB THR A 117 -7.510 -4.704 -10.634 1.00 0.00 C ATOM 652 OG1 THR A 117 -6.966 -3.412 -10.438 1.00 0.00 O ATOM 653 CG2 THR A 117 -8.853 -4.540 -11.312 1.00 0.00 C ATOM 0 H THR A 117 -7.926 -3.569 -8.474 1.00 0.00 H new ATOM 0 HA THR A 117 -8.355 -6.239 -9.383 1.00 0.00 H new ATOM 0 HB THR A 117 -6.869 -5.308 -11.275 1.00 0.00 H new ATOM 0 HG1 THR A 117 -6.920 -2.943 -11.297 1.00 0.00 H new ATOM 0 HG21 THR A 117 -8.725 -3.993 -12.246 1.00 0.00 H new ATOM 0 HG22 THR A 117 -9.277 -5.522 -11.522 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.526 -3.987 -10.657 1.00 0.00 H new ATOM 661 N ASP A 118 -6.062 -7.322 -9.577 1.00 0.00 N ATOM 662 CA ASP A 118 -4.828 -8.075 -9.378 1.00 0.00 C ATOM 663 C ASP A 118 -3.650 -7.394 -10.072 1.00 0.00 C ATOM 664 O ASP A 118 -2.504 -7.528 -9.642 1.00 0.00 O ATOM 665 CB ASP A 118 -4.989 -9.502 -9.904 1.00 0.00 C ATOM 666 CG ASP A 118 -5.525 -9.538 -11.322 1.00 0.00 C ATOM 667 OD1 ASP A 118 -6.749 -9.363 -11.499 1.00 0.00 O1- ATOM 668 OD2 ASP A 118 -4.720 -9.742 -12.255 1.00 0.00 O ATOM 0 H ASP A 118 -6.745 -7.784 -10.177 1.00 0.00 H new ATOM 0 HA ASP A 118 -4.622 -8.108 -8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.025 -10.010 -9.870 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -5.664 -10.054 -9.249 1.00 0.00 H new ATOM 673 N ASP A 119 -3.936 -6.670 -11.150 1.00 0.00 N ATOM 674 CA ASP A 119 -2.897 -5.975 -11.902 1.00 0.00 C ATOM 675 C ASP A 119 -2.292 -4.837 -11.085 1.00 0.00 C ATOM 676 O ASP A 119 -1.087 -4.589 -11.148 1.00 0.00 O ATOM 677 CB ASP A 119 -3.467 -5.429 -13.213 1.00 0.00 C ATOM 678 CG ASP A 119 -2.401 -5.239 -14.274 1.00 0.00 C ATOM 679 OD1 ASP A 119 -1.661 -4.236 -14.199 1.00 0.00 O1- ATOM 680 OD2 ASP A 119 -2.304 -6.096 -15.178 1.00 0.00 O ATOM 0 H ASP A 119 -4.878 -6.549 -11.522 1.00 0.00 H new ATOM 0 HA ASP A 119 -2.108 -6.693 -12.125 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -4.229 -6.112 -13.587 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -3.960 -4.475 -13.022 1.00 0.00 H new ATOM 685 N GLU A 120 -3.133 -4.144 -10.324 1.00 0.00 N ATOM 686 CA GLU A 120 -2.675 -3.029 -9.501 1.00 0.00 C ATOM 687 C GLU A 120 -1.877 -3.526 -8.296 1.00 0.00 C ATOM 688 O GLU A 120 -0.844 -2.955 -7.947 1.00 0.00 O ATOM 689 CB GLU A 120 -3.870 -2.186 -9.039 1.00 0.00 C ATOM 690 CG GLU A 120 -3.833 -0.754 -9.548 1.00 0.00 C ATOM 691 CD GLU A 120 -5.216 -0.197 -9.824 1.00 0.00 C ATOM 692 OE1 GLU A 120 -6.126 -0.432 -9.001 1.00 0.00 O1- ATOM 693 OE2 GLU A 120 -5.390 0.474 -10.862 1.00 0.00 O ATOM 0 H GLU A 120 -4.133 -4.334 -10.260 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.017 -2.407 -10.107 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.792 -2.660 -9.377 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.898 -2.176 -7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.332 -0.124 -8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -3.240 -0.712 -10.461 1.00 0.00 H new ATOM 700 N VAL A 121 -2.361 -4.592 -7.667 1.00 0.00 N ATOM 701 CA VAL A 121 -1.692 -5.161 -6.504 1.00 0.00 C ATOM 702 C VAL A 121 -0.440 -5.930 -6.917 1.00 0.00 C ATOM 703 O VAL A 121 0.537 -5.989 -6.174 1.00 0.00 O ATOM 704 CB VAL A 121 -2.633 -6.089 -5.706 1.00 0.00 C ATOM 705 CG1 VAL A 121 -3.085 -7.265 -6.558 1.00 0.00 C ATOM 706 CG2 VAL A 121 -1.958 -6.573 -4.430 1.00 0.00 C ATOM 0 H VAL A 121 -3.214 -5.079 -7.943 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.403 -4.329 -5.862 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.517 -5.516 -5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.747 -7.904 -5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.617 -6.896 -7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.215 -7.839 -6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -2.639 -7.225 -3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -1.053 -7.124 -4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.699 -5.716 -3.808 1.00 0.00 H new ATOM 716 N ASP A 122 -0.480 -6.525 -8.104 1.00 0.00 N ATOM 717 CA ASP A 122 0.652 -7.291 -8.612 1.00 0.00 C ATOM 718 C ASP A 122 1.827 -6.375 -8.944 1.00 0.00 C ATOM 719 O ASP A 122 2.988 -6.753 -8.781 1.00 0.00 O ATOM 720 CB ASP A 122 0.241 -8.085 -9.854 1.00 0.00 C ATOM 721 CG ASP A 122 1.362 -8.967 -10.372 1.00 0.00 C ATOM 722 OD1 ASP A 122 1.633 -10.012 -9.744 1.00 0.00 O ATOM 723 OD2 ASP A 122 1.966 -8.612 -11.405 1.00 0.00 O1- ATOM 0 H ASP A 122 -1.283 -6.492 -8.732 1.00 0.00 H new ATOM 0 HA ASP A 122 0.967 -7.985 -7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -0.625 -8.704 -9.617 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -0.066 -7.394 -10.639 1.00 0.00 H new ATOM 728 N GLU A 123 1.519 -5.173 -9.419 1.00 0.00 N ATOM 729 CA GLU A 123 2.548 -4.207 -9.785 1.00 0.00 C ATOM 730 C GLU A 123 3.208 -3.591 -8.554 1.00 0.00 C ATOM 731 O GLU A 123 4.419 -3.369 -8.537 1.00 0.00 O ATOM 732 CB GLU A 123 1.950 -3.103 -10.658 1.00 0.00 C ATOM 733 CG GLU A 123 2.981 -2.116 -11.179 1.00 0.00 C ATOM 734 CD GLU A 123 3.652 -2.592 -12.453 1.00 0.00 C ATOM 735 OE1 GLU A 123 3.911 -3.809 -12.569 1.00 0.00 O ATOM 736 OE2 GLU A 123 3.920 -1.748 -13.334 1.00 0.00 O1- ATOM 0 H GLU A 123 0.564 -4.844 -9.560 1.00 0.00 H new ATOM 0 HA GLU A 123 3.315 -4.741 -10.346 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.435 -3.559 -11.504 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.199 -2.562 -10.082 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.499 -1.156 -11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 123 3.739 -1.950 -10.414 1.00 0.00 H new ATOM 743 N MET A 124 2.411 -3.304 -7.531 1.00 0.00 N ATOM 744 CA MET A 124 2.933 -2.699 -6.310 1.00 0.00 C ATOM 745 C MET A 124 3.726 -3.706 -5.477 1.00 0.00 C ATOM 746 O MET A 124 4.698 -3.344 -4.814 1.00 0.00 O ATOM 747 CB MET A 124 1.795 -2.090 -5.482 1.00 0.00 C ATOM 748 CG MET A 124 0.898 -3.117 -4.809 1.00 0.00 C ATOM 749 SD MET A 124 1.100 -3.164 -3.016 1.00 0.00 S ATOM 750 CE MET A 124 -0.217 -4.287 -2.554 1.00 0.00 C ATOM 0 H MET A 124 1.406 -3.479 -7.522 1.00 0.00 H new ATOM 0 HA MET A 124 3.617 -1.903 -6.602 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.223 -1.441 -4.718 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.185 -1.460 -6.130 1.00 0.00 H new ATOM 0 HG2 MET A 124 -0.142 -2.893 -5.046 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.113 -4.104 -5.219 1.00 0.00 H new ATOM 0 HE1 MET A 124 -0.337 -4.281 -1.471 1.00 0.00 H new ATOM 0 HE2 MET A 124 -1.148 -3.969 -3.024 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.031 -5.295 -2.886 1.00 0.00 H new ATOM 760 N ILE A 125 3.308 -4.969 -5.508 1.00 0.00 N ATOM 761 CA ILE A 125 3.987 -6.013 -4.749 1.00 0.00 C ATOM 762 C ILE A 125 5.315 -6.403 -5.396 1.00 0.00 C ATOM 763 O ILE A 125 6.244 -6.834 -4.714 1.00 0.00 O ATOM 764 CB ILE A 125 3.098 -7.267 -4.590 1.00 0.00 C ATOM 765 CG1 ILE A 125 2.827 -7.920 -5.952 1.00 0.00 C ATOM 766 CG2 ILE A 125 1.792 -6.902 -3.892 1.00 0.00 C ATOM 767 CD1 ILE A 125 1.925 -9.133 -5.876 1.00 0.00 C ATOM 0 H ILE A 125 2.506 -5.292 -6.048 1.00 0.00 H new ATOM 0 HA ILE A 125 4.189 -5.601 -3.760 1.00 0.00 H new ATOM 0 HB ILE A 125 3.628 -7.992 -3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.374 -7.183 -6.615 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.777 -8.212 -6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.174 -7.794 -3.786 1.00 0.00 H new ATOM 0 HG22 ILE A 125 2.009 -6.491 -2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 125 1.258 -6.159 -4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.779 -9.541 -6.876 1.00 0.00 H new ATOM 0 HD12 ILE A 125 2.385 -9.889 -5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.961 -8.844 -5.457 1.00 0.00 H new ATOM 779 N ARG A 126 5.396 -6.250 -6.714 1.00 0.00 N ATOM 780 CA ARG A 126 6.612 -6.588 -7.448 1.00 0.00 C ATOM 781 C ARG A 126 7.706 -5.556 -7.193 1.00 0.00 C ATOM 782 O ARG A 126 8.894 -5.877 -7.219 1.00 0.00 O ATOM 783 CB ARG A 126 6.321 -6.681 -8.947 1.00 0.00 C ATOM 784 CG ARG A 126 7.174 -7.713 -9.669 1.00 0.00 C ATOM 785 CD ARG A 126 7.468 -7.294 -11.101 1.00 0.00 C ATOM 786 NE ARG A 126 6.338 -7.558 -11.991 1.00 0.00 N ATOM 787 CZ ARG A 126 5.977 -8.775 -12.400 1.00 0.00 C ATOM 788 NH1 ARG A 126 6.650 -9.850 -12.005 1.00 0.00 N1+ ATOM 789 NH2 ARG A 126 4.936 -8.917 -13.209 1.00 0.00 N ATOM 0 H ARG A 126 4.636 -5.895 -7.295 1.00 0.00 H new ATOM 0 HA ARG A 126 6.962 -7.557 -7.093 1.00 0.00 H new ATOM 0 HB2 ARG A 126 5.269 -6.927 -9.090 1.00 0.00 H new ATOM 0 HB3 ARG A 126 6.485 -5.704 -9.402 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.111 -7.852 -9.130 1.00 0.00 H new ATOM 0 HG3 ARG A 126 6.661 -8.675 -9.669 1.00 0.00 H new ATOM 0 HD2 ARG A 126 7.709 -6.231 -11.126 1.00 0.00 H new ATOM 0 HD3 ARG A 126 8.347 -7.828 -11.462 1.00 0.00 H new ATOM 0 HE ARG A 126 5.792 -6.762 -12.319 1.00 0.00 H new ATOM 0 HH11 ARG A 126 7.452 -9.750 -11.383 1.00 0.00 H new ATOM 0 HH12 ARG A 126 6.365 -10.776 -12.324 1.00 0.00 H new ATOM 0 HH21 ARG A 126 4.414 -8.097 -13.517 1.00 0.00 H new ATOM 0 HH22 ARG A 126 4.658 -9.847 -13.523 1.00 0.00 H new ATOM 803 N GLU A 127 7.297 -4.315 -6.947 1.00 0.00 N ATOM 804 CA GLU A 127 8.243 -3.234 -6.688 1.00 0.00 C ATOM 805 C GLU A 127 8.548 -3.111 -5.196 1.00 0.00 C ATOM 806 O GLU A 127 9.616 -2.639 -4.810 1.00 0.00 O ATOM 807 CB GLU A 127 7.685 -1.910 -7.215 1.00 0.00 C ATOM 808 CG GLU A 127 8.758 -0.902 -7.589 1.00 0.00 C ATOM 809 CD GLU A 127 9.269 -1.090 -9.003 1.00 0.00 C ATOM 810 OE1 GLU A 127 8.449 -1.396 -9.895 1.00 0.00 O ATOM 811 OE2 GLU A 127 10.488 -0.932 -9.219 1.00 0.00 O1- ATOM 0 H GLU A 127 6.317 -4.033 -6.922 1.00 0.00 H new ATOM 0 HA GLU A 127 9.172 -3.468 -7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 127 7.065 -2.109 -8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 127 7.036 -1.472 -6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.357 0.106 -7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.591 -0.988 -6.891 1.00 0.00 H new ATOM 818 N ALA A 128 7.601 -3.533 -4.361 1.00 0.00 N ATOM 819 CA ALA A 128 7.772 -3.462 -2.914 1.00 0.00 C ATOM 820 C ALA A 128 8.996 -4.248 -2.458 1.00 0.00 C ATOM 821 O ALA A 128 9.838 -3.730 -1.722 1.00 0.00 O ATOM 822 CB ALA A 128 6.523 -3.976 -2.215 1.00 0.00 C ATOM 0 H ALA A 128 6.709 -3.927 -4.662 1.00 0.00 H new ATOM 0 HA ALA A 128 7.929 -2.418 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.661 -3.919 -1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.667 -3.366 -2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.345 -5.012 -2.504 1.00 0.00 H new ATOM 828 N ASP A 129 9.093 -5.501 -2.896 1.00 0.00 N ATOM 829 CA ASP A 129 10.218 -6.359 -2.531 1.00 0.00 C ATOM 830 C ASP A 129 10.059 -7.744 -3.144 1.00 0.00 C ATOM 831 O ASP A 129 10.798 -8.122 -4.053 1.00 0.00 O ATOM 832 CB ASP A 129 10.339 -6.470 -1.006 1.00 0.00 C ATOM 833 CG ASP A 129 11.777 -6.395 -0.534 1.00 0.00 C ATOM 834 OD1 ASP A 129 12.259 -5.273 -0.271 1.00 0.00 O ATOM 835 OD2 ASP A 129 12.423 -7.459 -0.426 1.00 0.00 O1- ATOM 0 H ASP A 129 8.406 -5.945 -3.505 1.00 0.00 H new ATOM 0 HA ASP A 129 11.129 -5.907 -2.923 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.764 -5.670 -0.539 1.00 0.00 H new ATOM 0 HB3 ASP A 129 9.900 -7.412 -0.677 1.00 0.00 H new ATOM 915 N ILE A 136 7.616 -8.839 2.560 1.00 0.00 N ATOM 916 CA ILE A 136 7.683 -7.551 1.877 1.00 0.00 C ATOM 917 C ILE A 136 7.633 -6.397 2.869 1.00 0.00 C ATOM 918 O ILE A 136 6.581 -6.094 3.431 1.00 0.00 O ATOM 919 CB ILE A 136 6.532 -7.378 0.866 1.00 0.00 C ATOM 920 CG1 ILE A 136 6.339 -8.654 0.042 1.00 0.00 C ATOM 921 CG2 ILE A 136 6.805 -6.190 -0.042 1.00 0.00 C ATOM 922 CD1 ILE A 136 5.112 -8.622 -0.842 1.00 0.00 C ATOM 0 HA ILE A 136 8.633 -7.537 1.343 1.00 0.00 H new ATOM 0 HB ILE A 136 5.611 -7.189 1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 136 7.220 -8.813 -0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 136 6.268 -9.506 0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 136 5.985 -6.078 -0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.891 -5.285 0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 136 7.735 -6.354 -0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 136 5.038 -9.558 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 136 4.222 -8.495 -0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 136 5.190 -7.790 -1.542 1.00 0.00 H new ATOM 934 N ASN A 137 8.776 -5.753 3.078 1.00 0.00 N ATOM 935 CA ASN A 137 8.858 -4.628 4.001 1.00 0.00 C ATOM 936 C ASN A 137 8.138 -3.410 3.434 1.00 0.00 C ATOM 937 O ASN A 137 8.435 -2.961 2.326 1.00 0.00 O ATOM 938 CB ASN A 137 10.321 -4.284 4.290 1.00 0.00 C ATOM 939 CG ASN A 137 10.526 -3.775 5.703 1.00 0.00 C ATOM 940 OD1 ASN A 137 9.809 -2.888 6.166 1.00 0.00 O ATOM 941 ND2 ASN A 137 11.510 -4.335 6.397 1.00 0.00 N ATOM 0 H ASN A 137 9.657 -5.990 2.622 1.00 0.00 H new ATOM 0 HA ASN A 137 8.370 -4.915 4.933 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.938 -5.169 4.132 1.00 0.00 H new ATOM 0 HB3 ASN A 137 10.661 -3.528 3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 137 11.696 -4.033 7.353 1.00 0.00 H new ATOM 0 HD22 ASN A 137 12.080 -5.067 5.974 1.00 0.00 H new ATOM 948 N TYR A 138 7.192 -2.877 4.201 1.00 0.00 N ATOM 949 CA TYR A 138 6.432 -1.706 3.770 1.00 0.00 C ATOM 950 C TYR A 138 7.234 -0.409 3.923 1.00 0.00 C ATOM 951 O TYR A 138 6.748 0.664 3.572 1.00 0.00 O ATOM 952 CB TYR A 138 5.118 -1.599 4.548 1.00 0.00 C ATOM 953 CG TYR A 138 5.275 -1.796 6.036 1.00 0.00 C ATOM 954 CD1 TYR A 138 6.063 -0.939 6.790 1.00 0.00 C ATOM 955 CD2 TYR A 138 4.639 -2.845 6.685 1.00 0.00 C ATOM 956 CE1 TYR A 138 6.214 -1.119 8.149 1.00 0.00 C ATOM 957 CE2 TYR A 138 4.783 -3.032 8.045 1.00 0.00 C ATOM 958 CZ TYR A 138 5.571 -2.167 8.774 1.00 0.00 C ATOM 959 OH TYR A 138 5.719 -2.350 10.129 1.00 0.00 O ATOM 0 H TYR A 138 6.933 -3.235 5.121 1.00 0.00 H new ATOM 0 HA TYR A 138 6.215 -1.841 2.710 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.677 -0.619 4.365 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.418 -2.341 4.164 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.567 -0.116 6.304 1.00 0.00 H new ATOM 0 HD2 TYR A 138 4.022 -3.526 6.117 1.00 0.00 H new ATOM 0 HE1 TYR A 138 6.832 -0.443 8.721 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.281 -3.852 8.536 1.00 0.00 H new ATOM 0 HH TYR A 138 4.909 -2.763 10.494 1.00 0.00 H new ATOM 969 N GLU A 139 8.462 -0.505 4.441 1.00 0.00 N ATOM 970 CA GLU A 139 9.308 0.666 4.624 1.00 0.00 C ATOM 971 C GLU A 139 10.099 0.947 3.355 1.00 0.00 C ATOM 972 O GLU A 139 10.274 2.099 2.967 1.00 0.00 O ATOM 973 CB GLU A 139 10.263 0.456 5.801 1.00 0.00 C ATOM 974 CG GLU A 139 11.014 1.713 6.206 1.00 0.00 C ATOM 975 CD GLU A 139 11.224 1.808 7.705 1.00 0.00 C ATOM 976 OE1 GLU A 139 12.182 1.186 8.210 1.00 0.00 O ATOM 977 OE2 GLU A 139 10.432 2.505 8.372 1.00 0.00 O1- ATOM 0 H GLU A 139 8.887 -1.383 4.739 1.00 0.00 H new ATOM 0 HA GLU A 139 8.670 1.523 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 139 9.696 0.090 6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 139 10.983 -0.319 5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 139 11.982 1.731 5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 139 10.462 2.588 5.864 1.00 0.00 H new ATOM 984 N GLU A 140 10.560 -0.117 2.705 1.00 0.00 N ATOM 985 CA GLU A 140 11.316 0.011 1.467 1.00 0.00 C ATOM 986 C GLU A 140 10.366 0.312 0.316 1.00 0.00 C ATOM 987 O GLU A 140 10.655 1.140 -0.547 1.00 0.00 O ATOM 988 CB GLU A 140 12.101 -1.271 1.182 1.00 0.00 C ATOM 989 CG GLU A 140 13.454 -1.321 1.871 1.00 0.00 C ATOM 990 CD GLU A 140 13.429 -2.133 3.151 1.00 0.00 C ATOM 991 OE1 GLU A 140 12.872 -3.252 3.133 1.00 0.00 O ATOM 992 OE2 GLU A 140 13.966 -1.652 4.170 1.00 0.00 O1- ATOM 0 H GLU A 140 10.422 -1.078 3.017 1.00 0.00 H new ATOM 0 HA GLU A 140 12.026 0.831 1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 140 11.508 -2.129 1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 140 12.247 -1.366 0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 140 14.189 -1.748 1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.780 -0.306 2.096 1.00 0.00 H new ATOM 999 N PHE A 141 9.220 -0.363 0.328 1.00 0.00 N ATOM 1000 CA PHE A 141 8.203 -0.170 -0.694 1.00 0.00 C ATOM 1001 C PHE A 141 7.700 1.271 -0.658 1.00 0.00 C ATOM 1002 O PHE A 141 7.583 1.926 -1.694 1.00 0.00 O ATOM 1003 CB PHE A 141 7.049 -1.164 -0.472 1.00 0.00 C ATOM 1004 CG PHE A 141 5.803 -0.880 -1.272 1.00 0.00 C ATOM 1005 CD1 PHE A 141 5.856 -0.748 -2.652 1.00 0.00 C ATOM 1006 CD2 PHE A 141 4.581 -0.741 -0.636 1.00 0.00 C ATOM 1007 CE1 PHE A 141 4.710 -0.483 -3.380 1.00 0.00 C ATOM 1008 CE2 PHE A 141 3.433 -0.478 -1.358 1.00 0.00 C ATOM 1009 CZ PHE A 141 3.498 -0.348 -2.731 1.00 0.00 C ATOM 0 H PHE A 141 8.974 -1.051 1.039 1.00 0.00 H new ATOM 0 HA PHE A 141 8.633 -0.357 -1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.400 -2.166 -0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.790 -1.167 0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.802 -0.853 -3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 141 4.525 -0.839 0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 141 4.763 -0.382 -4.454 1.00 0.00 H new ATOM 0 HE2 PHE A 141 2.486 -0.374 -0.849 1.00 0.00 H new ATOM 0 HZ PHE A 141 2.602 -0.141 -3.297 1.00 0.00 H new ATOM 1019 N VAL A 142 7.413 1.762 0.543 1.00 0.00 N ATOM 1020 CA VAL A 142 6.935 3.125 0.707 1.00 0.00 C ATOM 1021 C VAL A 142 8.040 4.129 0.385 1.00 0.00 C ATOM 1022 O VAL A 142 7.771 5.214 -0.130 1.00 0.00 O ATOM 1023 CB VAL A 142 6.399 3.376 2.134 1.00 0.00 C ATOM 1024 CG1 VAL A 142 7.506 3.262 3.170 1.00 0.00 C ATOM 1025 CG2 VAL A 142 5.715 4.733 2.219 1.00 0.00 C ATOM 0 H VAL A 142 7.503 1.237 1.413 1.00 0.00 H new ATOM 0 HA VAL A 142 6.111 3.263 0.006 1.00 0.00 H new ATOM 0 HB VAL A 142 5.661 2.604 2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.095 3.444 4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.937 2.261 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 142 8.281 3.999 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.344 4.891 3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 142 6.429 5.517 1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.881 4.764 1.518 1.00 0.00 H new ATOM 1035 N ARG A 143 9.287 3.762 0.689 1.00 0.00 N ATOM 1036 CA ARG A 143 10.419 4.645 0.423 1.00 0.00 C ATOM 1037 C ARG A 143 10.521 4.966 -1.065 1.00 0.00 C ATOM 1038 O ARG A 143 10.558 6.129 -1.453 1.00 0.00 O ATOM 1039 CB ARG A 143 11.729 4.013 0.909 1.00 0.00 C ATOM 1040 CG ARG A 143 12.550 4.929 1.800 1.00 0.00 C ATOM 1041 CD ARG A 143 12.111 4.836 3.252 1.00 0.00 C ATOM 1042 NE ARG A 143 13.141 5.322 4.169 1.00 0.00 N ATOM 1043 CZ ARG A 143 13.484 6.605 4.294 1.00 0.00 C ATOM 1044 NH1 ARG A 143 12.883 7.541 3.568 1.00 0.00 N1+ ATOM 1045 NH2 ARG A 143 14.433 6.952 5.152 1.00 0.00 N ATOM 0 H ARG A 143 9.535 2.869 1.115 1.00 0.00 H new ATOM 0 HA ARG A 143 10.251 5.572 0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 143 11.501 3.097 1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 143 12.328 3.728 0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 143 13.605 4.666 1.720 1.00 0.00 H new ATOM 0 HG3 ARG A 143 12.451 5.958 1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 143 11.198 5.415 3.392 1.00 0.00 H new ATOM 0 HD3 ARG A 143 11.871 3.800 3.492 1.00 0.00 H new ATOM 0 HE ARG A 143 13.627 4.638 4.749 1.00 0.00 H new ATOM 0 HH11 ARG A 143 12.151 7.282 2.907 1.00 0.00 H new ATOM 0 HH12 ARG A 143 13.153 8.519 3.672 1.00 0.00 H new ATOM 0 HH21 ARG A 143 14.898 6.239 5.714 1.00 0.00 H new ATOM 0 HH22 ARG A 143 14.698 7.932 5.250 1.00 0.00 H new ATOM 1059 N MET A 144 10.569 3.926 -1.891 1.00 0.00 N ATOM 1060 CA MET A 144 10.671 4.103 -3.336 1.00 0.00 C ATOM 1061 C MET A 144 9.362 4.628 -3.919 1.00 0.00 C ATOM 1062 O MET A 144 9.363 5.362 -4.907 1.00 0.00 O ATOM 1063 CB MET A 144 11.056 2.785 -4.012 1.00 0.00 C ATOM 1064 CG MET A 144 10.234 1.592 -3.542 1.00 0.00 C ATOM 1065 SD MET A 144 9.382 0.745 -4.888 1.00 0.00 S ATOM 1066 CE MET A 144 8.442 2.096 -5.593 1.00 0.00 C ATOM 0 H MET A 144 10.539 2.953 -1.586 1.00 0.00 H new ATOM 0 HA MET A 144 11.451 4.840 -3.528 1.00 0.00 H new ATOM 0 HB2 MET A 144 10.940 2.893 -5.090 1.00 0.00 H new ATOM 0 HB3 MET A 144 12.111 2.585 -3.824 1.00 0.00 H new ATOM 0 HG2 MET A 144 10.889 0.885 -3.033 1.00 0.00 H new ATOM 0 HG3 MET A 144 9.500 1.930 -2.811 1.00 0.00 H new ATOM 0 HE1 MET A 144 8.212 1.874 -6.635 1.00 0.00 H new ATOM 0 HE2 MET A 144 7.514 2.223 -5.036 1.00 0.00 H new ATOM 0 HE3 MET A 144 9.027 3.014 -5.538 1.00 0.00 H new ATOM 1076 N MET A 145 8.246 4.248 -3.302 1.00 0.00 N ATOM 1077 CA MET A 145 6.929 4.682 -3.762 1.00 0.00 C ATOM 1078 C MET A 145 6.833 6.206 -3.788 1.00 0.00 C ATOM 1079 O MET A 145 6.131 6.779 -4.621 1.00 0.00 O ATOM 1080 CB MET A 145 5.835 4.105 -2.862 1.00 0.00 C ATOM 1081 CG MET A 145 4.427 4.399 -3.354 1.00 0.00 C ATOM 1082 SD MET A 145 3.227 4.495 -2.012 1.00 0.00 S ATOM 1083 CE MET A 145 3.243 2.804 -1.423 1.00 0.00 C ATOM 0 H MET A 145 8.227 3.641 -2.483 1.00 0.00 H new ATOM 0 HA MET A 145 6.788 4.311 -4.777 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.968 3.026 -2.789 1.00 0.00 H new ATOM 0 HB3 MET A 145 5.952 4.509 -1.857 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.428 5.340 -3.903 1.00 0.00 H new ATOM 0 HG3 MET A 145 4.121 3.622 -4.054 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.225 2.488 -1.196 1.00 0.00 H new ATOM 0 HE2 MET A 145 3.661 2.155 -2.192 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.853 2.738 -0.522 1.00 0.00 H new ATOM 1093 N VAL A 146 7.544 6.851 -2.871 1.00 0.00 N ATOM 1094 CA VAL A 146 7.543 8.310 -2.785 1.00 0.00 C ATOM 1095 C VAL A 146 8.897 8.891 -3.187 1.00 0.00 C ATOM 1096 O VAL A 146 8.979 10.013 -3.685 1.00 0.00 O ATOM 1097 CB VAL A 146 7.184 8.794 -1.365 1.00 0.00 C ATOM 1098 CG1 VAL A 146 5.787 8.328 -0.981 1.00 0.00 C ATOM 1099 CG2 VAL A 146 8.211 8.314 -0.346 1.00 0.00 C ATOM 0 H VAL A 146 8.129 6.388 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 146 6.782 8.664 -3.481 1.00 0.00 H new ATOM 0 HB VAL A 146 7.197 9.884 -1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 146 5.550 8.678 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 146 5.062 8.733 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 146 5.747 7.239 -1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.933 8.670 0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.241 7.224 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 146 9.194 8.704 -0.609 1.00 0.00 H new ATOM 1231 N GLU B1905 -10.046 -3.534 9.598 1.00 0.00 N ATOM 1232 CA GLU B1905 -9.065 -4.010 8.625 1.00 0.00 C ATOM 1233 C GLU B1905 -9.341 -3.446 7.233 1.00 0.00 C ATOM 1234 O GLU B1905 -8.436 -2.942 6.566 1.00 0.00 O ATOM 1235 CB GLU B1905 -9.069 -5.539 8.575 1.00 0.00 C ATOM 1236 CG GLU B1905 -8.157 -6.186 9.605 1.00 0.00 C ATOM 1237 CD GLU B1905 -7.911 -7.654 9.324 1.00 0.00 C ATOM 1238 OE1 GLU B1905 -8.897 -8.407 9.183 1.00 0.00 O1- ATOM 1239 OE2 GLU B1905 -6.729 -8.054 9.245 1.00 0.00 O ATOM 0 HA GLU B1905 -8.083 -3.660 8.945 1.00 0.00 H new ATOM 0 HB2 GLU B1905 -10.087 -5.896 8.729 1.00 0.00 H new ATOM 0 HB3 GLU B1905 -8.765 -5.862 7.579 1.00 0.00 H new ATOM 0 HG2 GLU B1905 -7.203 -5.658 9.623 1.00 0.00 H new ATOM 0 HG3 GLU B1905 -8.599 -6.078 10.595 1.00 0.00 H new ATOM 1246 N GLU B1906 -10.594 -3.532 6.800 1.00 0.00 N ATOM 1247 CA GLU B1906 -10.984 -3.027 5.488 1.00 0.00 C ATOM 1248 C GLU B1906 -10.737 -1.525 5.388 1.00 0.00 C ATOM 1249 O GLU B1906 -10.444 -1.005 4.311 1.00 0.00 O ATOM 1250 CB GLU B1906 -12.458 -3.335 5.215 1.00 0.00 C ATOM 1251 CG GLU B1906 -13.397 -2.824 6.296 1.00 0.00 C ATOM 1252 CD GLU B1906 -14.369 -3.884 6.778 1.00 0.00 C ATOM 1253 OE1 GLU B1906 -13.911 -4.979 7.164 1.00 0.00 O1- ATOM 1254 OE2 GLU B1906 -15.591 -3.618 6.769 1.00 0.00 O ATOM 0 H GLU B1906 -11.356 -3.946 7.337 1.00 0.00 H new ATOM 0 HA GLU B1906 -10.372 -3.528 4.737 1.00 0.00 H new ATOM 0 HB2 GLU B1906 -12.742 -2.893 4.260 1.00 0.00 H new ATOM 0 HB3 GLU B1906 -12.583 -4.413 5.117 1.00 0.00 H new ATOM 0 HG2 GLU B1906 -12.810 -2.465 7.141 1.00 0.00 H new ATOM 0 HG3 GLU B1906 -13.957 -1.972 5.911 1.00 0.00 H new ATOM 1261 N VAL B1907 -10.854 -0.833 6.518 1.00 0.00 N ATOM 1262 CA VAL B1907 -10.641 0.610 6.555 1.00 0.00 C ATOM 1263 C VAL B1907 -9.192 0.956 6.225 1.00 0.00 C ATOM 1264 O VAL B1907 -8.918 1.666 5.260 1.00 0.00 O ATOM 1265 CB VAL B1907 -11.000 1.200 7.933 1.00 0.00 C ATOM 1266 CG1 VAL B1907 -10.940 2.720 7.897 1.00 0.00 C ATOM 1267 CG2 VAL B1907 -12.378 0.726 8.374 1.00 0.00 C ATOM 0 H VAL B1907 -11.095 -1.248 7.418 1.00 0.00 H new ATOM 0 HA VAL B1907 -11.298 1.047 5.803 1.00 0.00 H new ATOM 0 HB VAL B1907 -10.268 0.847 8.660 1.00 0.00 H new ATOM 0 HG11 VAL B1907 -11.197 3.118 8.879 1.00 0.00 H new ATOM 0 HG12 VAL B1907 -9.933 3.038 7.629 1.00 0.00 H new ATOM 0 HG13 VAL B1907 -11.648 3.095 7.158 1.00 0.00 H new ATOM 0 HG21 VAL B1907 -12.615 1.152 9.349 1.00 0.00 H new ATOM 0 HG22 VAL B1907 -13.123 1.048 7.647 1.00 0.00 H new ATOM 0 HG23 VAL B1907 -12.384 -0.362 8.443 1.00 0.00 H new ATOM 1277 N SER B1908 -8.264 0.442 7.027 1.00 0.00 N ATOM 1278 CA SER B1908 -6.843 0.696 6.808 1.00 0.00 C ATOM 1279 C SER B1908 -6.416 0.247 5.410 1.00 0.00 C ATOM 1280 O SER B1908 -5.475 0.790 4.830 1.00 0.00 O ATOM 1281 CB SER B1908 -6.009 -0.029 7.866 1.00 0.00 C ATOM 1282 OG SER B1908 -5.827 0.781 9.015 1.00 0.00 O ATOM 0 H SER B1908 -8.469 -0.151 7.831 1.00 0.00 H new ATOM 0 HA SER B1908 -6.673 1.770 6.891 1.00 0.00 H new ATOM 0 HB2 SER B1908 -6.502 -0.959 8.147 1.00 0.00 H new ATOM 0 HB3 SER B1908 -5.038 -0.296 7.448 1.00 0.00 H new ATOM 0 HG SER B1908 -4.891 1.065 9.070 1.00 0.00 H new ATOM 1288 N ALA B1909 -7.115 -0.746 4.875 1.00 0.00 N ATOM 1289 CA ALA B1909 -6.807 -1.262 3.550 1.00 0.00 C ATOM 1290 C ALA B1909 -7.370 -0.363 2.451 1.00 0.00 C ATOM 1291 O ALA B1909 -6.880 -0.375 1.323 1.00 0.00 O ATOM 1292 CB ALA B1909 -7.334 -2.680 3.403 1.00 0.00 C ATOM 0 H ALA B1909 -7.897 -1.209 5.338 1.00 0.00 H new ATOM 0 HA ALA B1909 -5.723 -1.274 3.439 1.00 0.00 H new ATOM 0 HB1 ALA B1909 -7.097 -3.055 2.407 1.00 0.00 H new ATOM 0 HB2 ALA B1909 -6.869 -3.321 4.152 1.00 0.00 H new ATOM 0 HB3 ALA B1909 -8.415 -2.683 3.544 1.00 0.00 H new ATOM 1298 N ILE B1910 -8.396 0.423 2.776 1.00 0.00 N ATOM 1299 CA ILE B1910 -8.990 1.317 1.791 1.00 0.00 C ATOM 1300 C ILE B1910 -8.082 2.529 1.553 1.00 0.00 C ATOM 1301 O ILE B1910 -7.954 3.011 0.426 1.00 0.00 O ATOM 1302 CB ILE B1910 -10.435 1.746 2.193 1.00 0.00 C ATOM 1303 CG1 ILE B1910 -11.254 2.070 0.941 1.00 0.00 C ATOM 1304 CG2 ILE B1910 -10.460 2.924 3.166 1.00 0.00 C ATOM 1305 CD1 ILE B1910 -10.651 3.162 0.085 1.00 0.00 C ATOM 0 H ILE B1910 -8.826 0.457 3.700 1.00 0.00 H new ATOM 0 HA ILE B1910 -9.079 0.772 0.851 1.00 0.00 H new ATOM 0 HB ILE B1910 -10.883 0.901 2.717 1.00 0.00 H new ATOM 0 HG12 ILE B1910 -11.357 1.166 0.341 1.00 0.00 H new ATOM 0 HG13 ILE B1910 -12.258 2.369 1.242 1.00 0.00 H new ATOM 0 HG21 ILE B1910 -11.493 3.175 3.407 1.00 0.00 H new ATOM 0 HG22 ILE B1910 -9.930 2.653 4.079 1.00 0.00 H new ATOM 0 HG23 ILE B1910 -9.975 3.786 2.707 1.00 0.00 H new ATOM 0 HD11 ILE B1910 -11.286 3.336 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE B1910 -10.573 4.080 0.668 1.00 0.00 H new ATOM 0 HD13 ILE B1910 -9.658 2.858 -0.247 1.00 0.00 H new ATOM 1317 N VAL B1911 -7.433 3.000 2.616 1.00 0.00 N ATOM 1318 CA VAL B1911 -6.526 4.133 2.501 1.00 0.00 C ATOM 1319 C VAL B1911 -5.253 3.713 1.781 1.00 0.00 C ATOM 1320 O VAL B1911 -4.693 4.473 0.991 1.00 0.00 O ATOM 1321 CB VAL B1911 -6.168 4.737 3.879 1.00 0.00 C ATOM 1322 CG1 VAL B1911 -5.427 3.732 4.750 1.00 0.00 C ATOM 1323 CG2 VAL B1911 -5.347 6.006 3.703 1.00 0.00 C ATOM 0 H VAL B1911 -7.519 2.617 3.557 1.00 0.00 H new ATOM 0 HA VAL B1911 -7.042 4.902 1.926 1.00 0.00 H new ATOM 0 HB VAL B1911 -7.098 4.991 4.388 1.00 0.00 H new ATOM 0 HG11 VAL B1911 -5.190 4.188 5.711 1.00 0.00 H new ATOM 0 HG12 VAL B1911 -6.055 2.856 4.909 1.00 0.00 H new ATOM 0 HG13 VAL B1911 -4.504 3.431 4.254 1.00 0.00 H new ATOM 0 HG21 VAL B1911 -5.103 6.420 4.681 1.00 0.00 H new ATOM 0 HG22 VAL B1911 -4.427 5.773 3.167 1.00 0.00 H new ATOM 0 HG23 VAL B1911 -5.923 6.736 3.134 1.00 0.00 H new ATOM 1333 N ILE B1912 -4.807 2.488 2.052 1.00 0.00 N ATOM 1334 CA ILE B1912 -3.611 1.964 1.417 1.00 0.00 C ATOM 1335 C ILE B1912 -3.826 1.867 -0.096 1.00 0.00 C ATOM 1336 O ILE B1912 -2.908 2.090 -0.887 1.00 0.00 O ATOM 1337 CB ILE B1912 -3.194 0.598 2.056 1.00 0.00 C ATOM 1338 CG1 ILE B1912 -1.691 0.579 2.316 1.00 0.00 C ATOM 1339 CG2 ILE B1912 -3.599 -0.620 1.227 1.00 0.00 C ATOM 1340 CD1 ILE B1912 -1.259 -0.505 3.278 1.00 0.00 C ATOM 0 H ILE B1912 -5.257 1.846 2.705 1.00 0.00 H new ATOM 0 HA ILE B1912 -2.780 2.649 1.586 1.00 0.00 H new ATOM 0 HB ILE B1912 -3.740 0.522 2.996 1.00 0.00 H new ATOM 0 HG12 ILE B1912 -1.168 0.443 1.369 1.00 0.00 H new ATOM 0 HG13 ILE B1912 -1.386 1.548 2.712 1.00 0.00 H new ATOM 0 HG21 ILE B1912 -3.276 -1.529 1.734 1.00 0.00 H new ATOM 0 HG22 ILE B1912 -4.682 -0.636 1.109 1.00 0.00 H new ATOM 0 HG23 ILE B1912 -3.128 -0.565 0.246 1.00 0.00 H new ATOM 0 HD11 ILE B1912 -0.179 -0.459 3.416 1.00 0.00 H new ATOM 0 HD12 ILE B1912 -1.754 -0.358 4.238 1.00 0.00 H new ATOM 0 HD13 ILE B1912 -1.532 -1.480 2.874 1.00 0.00 H new ATOM 1352 N GLN B1913 -5.062 1.559 -0.486 1.00 0.00 N ATOM 1353 CA GLN B1913 -5.416 1.464 -1.893 1.00 0.00 C ATOM 1354 C GLN B1913 -5.260 2.831 -2.549 1.00 0.00 C ATOM 1355 O GLN B1913 -4.743 2.949 -3.660 1.00 0.00 O ATOM 1356 CB GLN B1913 -6.853 0.950 -2.049 1.00 0.00 C ATOM 1357 CG GLN B1913 -6.949 -0.363 -2.808 1.00 0.00 C ATOM 1358 CD GLN B1913 -8.335 -0.975 -2.742 1.00 0.00 C ATOM 1359 OE1 GLN B1913 -9.293 -0.431 -3.290 1.00 0.00 O ATOM 1360 NE2 GLN B1913 -8.449 -2.112 -2.065 1.00 0.00 N ATOM 0 H GLN B1913 -5.832 1.372 0.156 1.00 0.00 H new ATOM 0 HA GLN B1913 -4.749 0.756 -2.385 1.00 0.00 H new ATOM 0 HB2 GLN B1913 -7.294 0.822 -1.060 1.00 0.00 H new ATOM 0 HB3 GLN B1913 -7.446 1.704 -2.567 1.00 0.00 H new ATOM 0 HG2 GLN B1913 -6.679 -0.196 -3.851 1.00 0.00 H new ATOM 0 HG3 GLN B1913 -6.225 -1.068 -2.400 1.00 0.00 H new ATOM 0 HE21 GLN B1913 -7.628 -2.529 -1.626 1.00 0.00 H new ATOM 0 HE22 GLN B1913 -9.358 -2.569 -1.984 1.00 0.00 H new ATOM 1369 N ARG B1914 -5.694 3.865 -1.833 1.00 0.00 N ATOM 1370 CA ARG B1914 -5.587 5.234 -2.323 1.00 0.00 C ATOM 1371 C ARG B1914 -4.123 5.591 -2.554 1.00 0.00 C ATOM 1372 O ARG B1914 -3.791 6.344 -3.470 1.00 0.00 O ATOM 1373 CB ARG B1914 -6.217 6.208 -1.324 1.00 0.00 C ATOM 1374 CG ARG B1914 -6.619 7.541 -1.940 1.00 0.00 C ATOM 1375 CD ARG B1914 -5.747 8.683 -1.440 1.00 0.00 C ATOM 1376 NE ARG B1914 -6.181 9.169 -0.132 1.00 0.00 N ATOM 1377 CZ ARG B1914 -5.881 10.373 0.356 1.00 0.00 C ATOM 1378 NH1 ARG B1914 -5.137 11.222 -0.346 1.00 0.00 N1+ ATOM 1379 NH2 ARG B1914 -6.325 10.729 1.553 1.00 0.00 N ATOM 0 H ARG B1914 -6.123 3.780 -0.912 1.00 0.00 H new ATOM 0 HA ARG B1914 -6.124 5.311 -3.268 1.00 0.00 H new ATOM 0 HB2 ARG B1914 -7.097 5.742 -0.881 1.00 0.00 H new ATOM 0 HB3 ARG B1914 -5.511 6.390 -0.513 1.00 0.00 H new ATOM 0 HG2 ARG B1914 -6.545 7.476 -3.026 1.00 0.00 H new ATOM 0 HG3 ARG B1914 -7.662 7.750 -1.703 1.00 0.00 H new ATOM 0 HD2 ARG B1914 -4.712 8.348 -1.377 1.00 0.00 H new ATOM 0 HD3 ARG B1914 -5.774 9.502 -2.159 1.00 0.00 H new ATOM 0 HE ARG B1914 -6.749 8.548 0.444 1.00 0.00 H new ATOM 0 HH11 ARG B1914 -4.790 10.955 -1.267 1.00 0.00 H new ATOM 0 HH12 ARG B1914 -4.913 12.141 0.036 1.00 0.00 H new ATOM 0 HH21 ARG B1914 -6.895 10.082 2.099 1.00 0.00 H new ATOM 0 HH22 ARG B1914 -6.097 11.649 1.929 1.00 0.00 H new ATOM 1393 N ALA B1915 -3.249 5.029 -1.722 1.00 0.00 N ATOM 1394 CA ALA B1915 -1.818 5.268 -1.839 1.00 0.00 C ATOM 1395 C ALA B1915 -1.307 4.769 -3.183 1.00 0.00 C ATOM 1396 O ALA B1915 -0.501 5.431 -3.838 1.00 0.00 O ATOM 1397 CB ALA B1915 -1.073 4.588 -0.699 1.00 0.00 C ATOM 0 H ALA B1915 -3.510 4.404 -0.959 1.00 0.00 H new ATOM 0 HA ALA B1915 -1.637 6.341 -1.778 1.00 0.00 H new ATOM 0 HB1 ALA B1915 -0.004 4.776 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA B1915 -1.423 4.986 0.253 1.00 0.00 H new ATOM 0 HB3 ALA B1915 -1.258 3.514 -0.733 1.00 0.00 H new ATOM 1403 N TYR B1916 -1.794 3.602 -3.596 1.00 0.00 N ATOM 1404 CA TYR B1916 -1.398 3.018 -4.871 1.00 0.00 C ATOM 1405 C TYR B1916 -1.791 3.941 -6.019 1.00 0.00 C ATOM 1406 O TYR B1916 -1.071 4.057 -7.011 1.00 0.00 O ATOM 1407 CB TYR B1916 -2.049 1.645 -5.054 1.00 0.00 C ATOM 1408 CG TYR B1916 -1.726 0.665 -3.949 1.00 0.00 C ATOM 1409 CD1 TYR B1916 -0.447 0.586 -3.413 1.00 0.00 C ATOM 1410 CD2 TYR B1916 -2.702 -0.184 -3.442 1.00 0.00 C ATOM 1411 CE1 TYR B1916 -0.150 -0.309 -2.403 1.00 0.00 C ATOM 1412 CE2 TYR B1916 -2.414 -1.082 -2.432 1.00 0.00 C ATOM 1413 CZ TYR B1916 -1.137 -1.141 -1.917 1.00 0.00 C ATOM 1414 OH TYR B1916 -0.845 -2.035 -0.912 1.00 0.00 O ATOM 0 H TYR B1916 -2.463 3.044 -3.066 1.00 0.00 H new ATOM 0 HA TYR B1916 -0.315 2.894 -4.874 1.00 0.00 H new ATOM 0 HB2 TYR B1916 -3.130 1.771 -5.111 1.00 0.00 H new ATOM 0 HB3 TYR B1916 -1.726 1.224 -6.006 1.00 0.00 H new ATOM 0 HD1 TYR B1916 0.328 1.235 -3.792 1.00 0.00 H new ATOM 0 HD2 TYR B1916 -3.703 -0.141 -3.844 1.00 0.00 H new ATOM 0 HE1 TYR B1916 0.849 -0.357 -1.996 1.00 0.00 H new ATOM 0 HE2 TYR B1916 -3.185 -1.734 -2.048 1.00 0.00 H new ATOM 0 HH TYR B1916 0.115 -2.234 -0.920 1.00 0.00 H new ATOM 1424 N ARG B1917 -2.934 4.606 -5.869 1.00 0.00 N ATOM 1425 CA ARG B1917 -3.420 5.533 -6.887 1.00 0.00 C ATOM 1426 C ARG B1917 -2.404 6.648 -7.113 1.00 0.00 C ATOM 1427 O ARG B1917 -2.104 7.011 -8.251 1.00 0.00 O ATOM 1428 CB ARG B1917 -4.766 6.127 -6.470 1.00 0.00 C ATOM 1429 CG ARG B1917 -5.450 6.921 -7.571 1.00 0.00 C ATOM 1430 CD ARG B1917 -6.191 8.126 -7.014 1.00 0.00 C ATOM 1431 NE ARG B1917 -6.821 8.918 -8.071 1.00 0.00 N ATOM 1432 CZ ARG B1917 -7.889 8.523 -8.765 1.00 0.00 C ATOM 1433 NH1 ARG B1917 -8.456 7.346 -8.524 1.00 0.00 N1+ ATOM 1434 NH2 ARG B1917 -8.392 9.310 -9.706 1.00 0.00 N ATOM 0 H ARG B1917 -3.540 4.520 -5.053 1.00 0.00 H new ATOM 0 HA ARG B1917 -3.555 4.984 -7.819 1.00 0.00 H new ATOM 0 HB2 ARG B1917 -5.426 5.320 -6.152 1.00 0.00 H new ATOM 0 HB3 ARG B1917 -4.615 6.775 -5.607 1.00 0.00 H new ATOM 0 HG2 ARG B1917 -4.707 7.253 -8.296 1.00 0.00 H new ATOM 0 HG3 ARG B1917 -6.150 6.277 -8.104 1.00 0.00 H new ATOM 0 HD2 ARG B1917 -6.952 7.790 -6.310 1.00 0.00 H new ATOM 0 HD3 ARG B1917 -5.496 8.753 -6.456 1.00 0.00 H new ATOM 0 HE ARG B1917 -6.418 9.829 -8.291 1.00 0.00 H new ATOM 0 HH11 ARG B1917 -8.075 6.735 -7.802 1.00 0.00 H new ATOM 0 HH12 ARG B1917 -9.273 7.054 -9.061 1.00 0.00 H new ATOM 0 HH21 ARG B1917 -7.962 10.215 -9.898 1.00 0.00 H new ATOM 0 HH22 ARG B1917 -9.209 9.010 -10.238 1.00 0.00 H new ATOM 1448 N ARG B1918 -1.865 7.176 -6.019 1.00 0.00 N ATOM 1449 CA ARG B1918 -0.867 8.236 -6.093 1.00 0.00 C ATOM 1450 C ARG B1918 0.460 7.673 -6.589 1.00 0.00 C ATOM 1451 O ARG B1918 1.216 8.353 -7.284 1.00 0.00 O ATOM 1452 CB ARG B1918 -0.680 8.889 -4.722 1.00 0.00 C ATOM 1453 CG ARG B1918 -0.189 10.329 -4.794 1.00 0.00 C ATOM 1454 CD ARG B1918 1.007 10.565 -3.884 1.00 0.00 C ATOM 1455 NE ARG B1918 1.316 11.988 -3.741 1.00 0.00 N ATOM 1456 CZ ARG B1918 0.642 12.823 -2.949 1.00 0.00 C ATOM 1457 NH1 ARG B1918 -0.382 12.389 -2.223 1.00 0.00 N1+ ATOM 1458 NH2 ARG B1918 0.995 14.099 -2.883 1.00 0.00 N ATOM 0 H ARG B1918 -2.103 6.887 -5.070 1.00 0.00 H new ATOM 0 HA ARG B1918 -1.215 8.993 -6.796 1.00 0.00 H new ATOM 0 HB2 ARG B1918 -1.628 8.864 -4.185 1.00 0.00 H new ATOM 0 HB3 ARG B1918 0.031 8.300 -4.142 1.00 0.00 H new ATOM 0 HG2 ARG B1918 0.083 10.569 -5.822 1.00 0.00 H new ATOM 0 HG3 ARG B1918 -0.998 11.003 -4.513 1.00 0.00 H new ATOM 0 HD2 ARG B1918 0.805 10.138 -2.902 1.00 0.00 H new ATOM 0 HD3 ARG B1918 1.876 10.044 -4.286 1.00 0.00 H new ATOM 0 HE ARG B1918 2.095 12.365 -4.281 1.00 0.00 H new ATOM 0 HH11 ARG B1918 -0.660 11.409 -2.268 1.00 0.00 H new ATOM 0 HH12 ARG B1918 -0.891 13.036 -1.621 1.00 0.00 H new ATOM 0 HH21 ARG B1918 1.780 14.440 -3.437 1.00 0.00 H new ATOM 0 HH22 ARG B1918 0.481 14.740 -2.278 1.00 0.00 H new ATOM 1472 N TYR B1919 0.731 6.420 -6.232 1.00 0.00 N ATOM 1473 CA TYR B1919 1.959 5.751 -6.643 1.00 0.00 C ATOM 1474 C TYR B1919 2.043 5.679 -8.166 1.00 0.00 C ATOM 1475 O TYR B1919 3.026 6.118 -8.765 1.00 0.00 O ATOM 1476 CB TYR B1919 2.015 4.341 -6.033 1.00 0.00 C ATOM 1477 CG TYR B1919 3.162 3.487 -6.538 1.00 0.00 C ATOM 1478 CD1 TYR B1919 4.466 3.967 -6.535 1.00 0.00 C ATOM 1479 CD2 TYR B1919 2.936 2.205 -7.023 1.00 0.00 C ATOM 1480 CE1 TYR B1919 5.512 3.191 -6.998 1.00 0.00 C ATOM 1481 CE2 TYR B1919 3.977 1.424 -7.487 1.00 0.00 C ATOM 1482 CZ TYR B1919 5.262 1.922 -7.473 1.00 0.00 C ATOM 1483 OH TYR B1919 6.301 1.147 -7.936 1.00 0.00 O ATOM 0 H TYR B1919 0.113 5.847 -5.657 1.00 0.00 H new ATOM 0 HA TYR B1919 2.812 6.325 -6.281 1.00 0.00 H new ATOM 0 HB2 TYR B1919 2.093 4.430 -4.949 1.00 0.00 H new ATOM 0 HB3 TYR B1919 1.076 3.829 -6.244 1.00 0.00 H new ATOM 0 HD1 TYR B1919 4.665 4.962 -6.165 1.00 0.00 H new ATOM 0 HD2 TYR B1919 1.930 1.812 -7.038 1.00 0.00 H new ATOM 0 HE1 TYR B1919 6.520 3.578 -6.987 1.00 0.00 H new ATOM 0 HE2 TYR B1919 3.785 0.428 -7.859 1.00 0.00 H new ATOM 0 HH TYR B1919 5.955 0.280 -8.234 1.00 0.00 H new ATOM 1493 N LEU B1920 1.007 5.125 -8.785 1.00 0.00 N ATOM 1494 CA LEU B1920 0.962 4.995 -10.235 1.00 0.00 C ATOM 1495 C LEU B1920 0.896 6.368 -10.900 1.00 0.00 C ATOM 1496 O LEU B1920 1.420 6.563 -11.998 1.00 0.00 O ATOM 1497 CB LEU B1920 -0.243 4.144 -10.652 1.00 0.00 C ATOM 1498 CG LEU B1920 0.063 3.049 -11.675 1.00 0.00 C ATOM 1499 CD1 LEU B1920 0.531 1.782 -10.976 1.00 0.00 C ATOM 1500 CD2 LEU B1920 -1.162 2.765 -12.532 1.00 0.00 C ATOM 0 H LEU B1920 0.186 4.758 -8.304 1.00 0.00 H new ATOM 0 HA LEU B1920 1.875 4.499 -10.564 1.00 0.00 H new ATOM 0 HB2 LEU B1920 -0.667 3.680 -9.761 1.00 0.00 H new ATOM 0 HB3 LEU B1920 -1.008 4.802 -11.064 1.00 0.00 H new ATOM 0 HG LEU B1920 0.865 3.398 -12.325 1.00 0.00 H new ATOM 0 HD11 LEU B1920 0.744 1.014 -11.719 1.00 0.00 H new ATOM 0 HD12 LEU B1920 1.434 1.994 -10.404 1.00 0.00 H new ATOM 0 HD13 LEU B1920 -0.250 1.428 -10.303 1.00 0.00 H new ATOM 0 HD21 LEU B1920 -0.927 1.984 -13.255 1.00 0.00 H new ATOM 0 HD22 LEU B1920 -1.983 2.436 -11.895 1.00 0.00 H new ATOM 0 HD23 LEU B1920 -1.454 3.672 -13.061 1.00 0.00 H new