USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 441 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 Single : A 97 ASN : amide:sc= -1.05 X(o=-1.1,f=-1.4!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HE2:sc= -1.65 F(o=-4.2!,f=-1.7) USER MOD Single : A 109 MET CE :methyl -179:sc= -11.2! (180deg=-11.3!) USER MOD Single : A 110 THR OG1 : rot -26:sc= 0.102 USER MOD Single : A 111 ASN : amide:sc= -4.23! C(o=-4.2!,f=-17!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.658 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -4.75! C(o=-4.8!,f=-5!) USER MOD Single : A 137 ASN :FLIP amide:sc= -1.75! C(o=-5.2!,f=-1.7!) USER MOD Single : A 138 TYR OH : rot -71:sc= -5.96! USER MOD Single : A 143 GLN : amide:sc= -0.0879 X(o=-0.088,f=0) USER MOD Single : A 144 MET CE :methyl -146:sc= -13.3! (180deg=-17.1!) USER MOD Single : A 145 MET CE :methyl -129:sc= -5.53! (180deg=-12.9!) USER MOD Single : A 146 THR OG1 : rot -53:sc= 0.866 USER MOD ----------------------------------------------------------------- ATOM 91 N GLU A 82 -5.498 -3.316 -6.829 1.00 0.00 N ATOM 92 CA GLU A 82 -5.823 -2.354 -5.739 1.00 0.00 C ATOM 93 C GLU A 82 -7.333 -2.340 -5.497 1.00 0.00 C ATOM 94 O GLU A 82 -7.832 -1.594 -4.678 1.00 0.00 O ATOM 95 CB GLU A 82 -5.356 -0.950 -6.130 1.00 0.00 C ATOM 96 CG GLU A 82 -4.028 -1.045 -6.884 1.00 0.00 C ATOM 97 CD GLU A 82 -3.334 0.318 -6.868 1.00 0.00 C ATOM 98 OE1 GLU A 82 -2.921 0.738 -5.800 1.00 0.00 O ATOM 99 OE2 GLU A 82 -3.226 0.917 -7.925 1.00 0.00 O ATOM 0 HA GLU A 82 -5.312 -2.663 -4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.107 -0.466 -6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.237 -0.334 -5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.388 -1.796 -6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.203 -1.364 -7.912 1.00 0.00 H new ATOM 106 N GLU A 83 -8.068 -3.156 -6.201 1.00 0.00 N ATOM 107 CA GLU A 83 -9.543 -3.183 -6.005 1.00 0.00 C ATOM 108 C GLU A 83 -9.854 -3.445 -4.529 1.00 0.00 C ATOM 109 O GLU A 83 -10.775 -2.885 -3.969 1.00 0.00 O ATOM 110 CB GLU A 83 -10.154 -4.296 -6.861 1.00 0.00 C ATOM 111 CG GLU A 83 -10.478 -3.750 -8.252 1.00 0.00 C ATOM 112 CD GLU A 83 -10.837 -4.909 -9.185 1.00 0.00 C ATOM 113 OE1 GLU A 83 -11.617 -5.753 -8.776 1.00 0.00 O ATOM 114 OE2 GLU A 83 -10.325 -4.932 -10.291 1.00 0.00 O ATOM 0 H GLU A 83 -7.711 -3.804 -6.903 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.967 -2.224 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.459 -5.132 -6.940 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.059 -4.677 -6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.308 -3.046 -8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.623 -3.202 -8.648 1.00 0.00 H new ATOM 121 N GLU A 84 -9.092 -4.295 -3.896 1.00 0.00 N ATOM 122 CA GLU A 84 -9.341 -4.594 -2.458 1.00 0.00 C ATOM 123 C GLU A 84 -8.359 -3.805 -1.588 1.00 0.00 C ATOM 124 O GLU A 84 -8.592 -3.587 -0.416 1.00 0.00 O ATOM 125 CB GLU A 84 -9.152 -6.093 -2.209 1.00 0.00 C ATOM 126 CG GLU A 84 -9.809 -6.478 -0.882 1.00 0.00 C ATOM 127 CD GLU A 84 -9.375 -7.891 -0.489 1.00 0.00 C ATOM 128 OE1 GLU A 84 -8.290 -8.287 -0.882 1.00 0.00 O ATOM 129 OE2 GLU A 84 -10.136 -8.553 0.197 1.00 0.00 O ATOM 0 H GLU A 84 -8.307 -4.795 -4.313 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.361 -4.306 -2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.593 -6.666 -3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.090 -6.337 -2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.525 -5.769 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.894 -6.432 -0.974 1.00 0.00 H new ATOM 136 N ILE A 85 -7.261 -3.379 -2.151 1.00 0.00 N ATOM 137 CA ILE A 85 -6.265 -2.607 -1.353 1.00 0.00 C ATOM 138 C ILE A 85 -6.805 -1.206 -1.065 1.00 0.00 C ATOM 139 O ILE A 85 -6.980 -0.823 0.075 1.00 0.00 O ATOM 140 CB ILE A 85 -4.961 -2.483 -2.140 1.00 0.00 C ATOM 141 CG1 ILE A 85 -4.329 -3.865 -2.304 1.00 0.00 C ATOM 142 CG2 ILE A 85 -3.999 -1.566 -1.384 1.00 0.00 C ATOM 143 CD1 ILE A 85 -3.342 -3.841 -3.472 1.00 0.00 C ATOM 0 H ILE A 85 -7.010 -3.532 -3.128 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.082 -3.130 -0.414 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.168 -2.062 -3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.816 -4.153 -1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.103 -4.611 -2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.068 -1.476 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.450 -0.581 -1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.792 -1.987 -0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.892 -4.827 -3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.868 -3.572 -4.388 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.561 -3.107 -3.274 1.00 0.00 H new ATOM 155 N ARG A 86 -7.054 -0.433 -2.090 1.00 0.00 N ATOM 156 CA ARG A 86 -7.566 0.947 -1.882 1.00 0.00 C ATOM 157 C ARG A 86 -8.592 0.966 -0.751 1.00 0.00 C ATOM 158 O ARG A 86 -8.524 1.789 0.140 1.00 0.00 O ATOM 159 CB ARG A 86 -8.201 1.457 -3.173 1.00 0.00 C ATOM 160 CG ARG A 86 -7.719 2.879 -3.433 1.00 0.00 C ATOM 161 CD ARG A 86 -8.143 3.783 -2.274 1.00 0.00 C ATOM 162 NE ARG A 86 -8.962 4.912 -2.797 1.00 0.00 N ATOM 163 CZ ARG A 86 -10.253 4.779 -2.925 1.00 0.00 C ATOM 164 NH1 ARG A 86 -10.743 4.110 -3.933 1.00 0.00 N ATOM 165 NH2 ARG A 86 -11.055 5.313 -2.045 1.00 0.00 N ATOM 0 H ARG A 86 -6.923 -0.703 -3.065 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.735 1.597 -1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.931 0.809 -4.007 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.288 1.436 -3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.634 2.892 -3.540 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.137 3.250 -4.369 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.717 3.211 -1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.263 4.167 -1.758 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.512 5.790 -3.055 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.116 3.691 -4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.753 4.006 -4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.672 5.835 -1.257 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.065 5.209 -2.146 1.00 0.00 H new ATOM 179 N GLU A 87 -9.530 0.065 -0.764 1.00 0.00 N ATOM 180 CA GLU A 87 -10.534 0.046 0.332 1.00 0.00 C ATOM 181 C GLU A 87 -9.832 -0.412 1.609 1.00 0.00 C ATOM 182 O GLU A 87 -10.059 0.112 2.681 1.00 0.00 O ATOM 183 CB GLU A 87 -11.665 -0.924 -0.018 1.00 0.00 C ATOM 184 CG GLU A 87 -12.505 -1.199 1.230 1.00 0.00 C ATOM 185 CD GLU A 87 -13.829 -1.847 0.822 1.00 0.00 C ATOM 186 OE1 GLU A 87 -14.584 -1.207 0.107 1.00 0.00 O ATOM 187 OE2 GLU A 87 -14.066 -2.971 1.231 1.00 0.00 O ATOM 0 H GLU A 87 -9.645 -0.653 -1.479 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.961 1.039 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.290 -0.502 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.253 -1.856 -0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.961 -1.855 1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.693 -0.269 1.767 1.00 0.00 H new ATOM 194 N ALA A 88 -8.958 -1.373 1.490 1.00 0.00 N ATOM 195 CA ALA A 88 -8.209 -1.855 2.681 1.00 0.00 C ATOM 196 C ALA A 88 -6.893 -1.079 2.761 1.00 0.00 C ATOM 197 O ALA A 88 -5.822 -1.619 2.573 1.00 0.00 O ATOM 198 CB ALA A 88 -7.923 -3.351 2.540 1.00 0.00 C ATOM 0 H ALA A 88 -8.731 -1.846 0.615 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.795 -1.697 3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.374 -3.700 3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.864 -3.895 2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.327 -3.525 1.644 1.00 0.00 H new ATOM 204 N PHE A 89 -6.986 0.194 3.023 1.00 0.00 N ATOM 205 CA PHE A 89 -5.777 1.063 3.110 1.00 0.00 C ATOM 206 C PHE A 89 -6.258 2.509 3.167 1.00 0.00 C ATOM 207 O PHE A 89 -5.618 3.373 3.733 1.00 0.00 O ATOM 208 CB PHE A 89 -4.891 0.873 1.875 1.00 0.00 C ATOM 209 CG PHE A 89 -3.439 0.864 2.293 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.940 -0.199 3.050 1.00 0.00 C ATOM 211 CD2 PHE A 89 -2.589 1.917 1.931 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.594 -0.210 3.441 1.00 0.00 C ATOM 213 CE2 PHE A 89 -1.251 1.896 2.327 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.756 0.840 3.078 1.00 0.00 C ATOM 0 H PHE A 89 -7.868 0.680 3.184 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.192 0.805 3.993 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.142 -0.062 1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.069 1.676 1.159 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.591 -1.012 3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.968 2.743 1.347 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.207 -1.033 4.024 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.596 2.708 2.047 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.281 0.833 3.381 1.00 0.00 H new ATOM 224 N ARG A 90 -7.409 2.767 2.600 1.00 0.00 N ATOM 225 CA ARG A 90 -7.969 4.132 2.634 1.00 0.00 C ATOM 226 C ARG A 90 -8.110 4.533 4.088 1.00 0.00 C ATOM 227 O ARG A 90 -8.174 5.695 4.430 1.00 0.00 O ATOM 228 CB ARG A 90 -9.344 4.124 1.963 1.00 0.00 C ATOM 229 CG ARG A 90 -10.256 3.130 2.682 1.00 0.00 C ATOM 230 CD ARG A 90 -11.700 3.630 2.628 1.00 0.00 C ATOM 231 NE ARG A 90 -12.215 3.508 1.235 1.00 0.00 N ATOM 232 CZ ARG A 90 -13.430 3.084 1.023 1.00 0.00 C ATOM 233 NH1 ARG A 90 -14.434 3.652 1.634 1.00 0.00 N ATOM 234 NH2 ARG A 90 -13.642 2.094 0.200 1.00 0.00 N ATOM 0 H ARG A 90 -7.982 2.078 2.113 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.323 4.835 2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.781 5.122 1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.246 3.850 0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.182 2.148 2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.939 3.013 3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.323 3.051 3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.749 4.668 2.956 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.617 3.756 0.447 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.268 4.427 2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.385 3.321 1.469 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.857 1.651 -0.278 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.592 1.763 0.035 1.00 0.00 H new ATOM 248 N VAL A 91 -8.156 3.558 4.944 1.00 0.00 N ATOM 249 CA VAL A 91 -8.295 3.828 6.389 1.00 0.00 C ATOM 250 C VAL A 91 -7.422 5.018 6.785 1.00 0.00 C ATOM 251 O VAL A 91 -7.740 5.762 7.691 1.00 0.00 O ATOM 252 CB VAL A 91 -7.850 2.594 7.169 1.00 0.00 C ATOM 253 CG1 VAL A 91 -7.961 2.867 8.668 1.00 0.00 C ATOM 254 CG2 VAL A 91 -8.745 1.414 6.787 1.00 0.00 C ATOM 0 H VAL A 91 -8.102 2.570 4.696 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.336 4.059 6.616 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.813 2.358 6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.643 1.985 9.223 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.324 3.711 8.932 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.996 3.100 8.920 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.434 0.528 7.340 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.781 1.649 7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.659 1.223 5.717 1.00 0.00 H new ATOM 264 N PHE A 92 -6.313 5.193 6.123 1.00 0.00 N ATOM 265 CA PHE A 92 -5.410 6.316 6.472 1.00 0.00 C ATOM 266 C PHE A 92 -5.512 7.425 5.420 1.00 0.00 C ATOM 267 O PHE A 92 -5.557 8.595 5.743 1.00 0.00 O ATOM 268 CB PHE A 92 -3.986 5.777 6.527 1.00 0.00 C ATOM 269 CG PHE A 92 -3.963 4.561 7.422 1.00 0.00 C ATOM 270 CD1 PHE A 92 -3.767 4.716 8.798 1.00 0.00 C ATOM 271 CD2 PHE A 92 -4.137 3.280 6.879 1.00 0.00 C ATOM 272 CE1 PHE A 92 -3.744 3.594 9.635 1.00 0.00 C ATOM 273 CE2 PHE A 92 -4.114 2.158 7.717 1.00 0.00 C ATOM 274 CZ PHE A 92 -3.917 2.314 9.094 1.00 0.00 C ATOM 0 H PHE A 92 -5.995 4.603 5.354 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.692 6.738 7.437 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.642 5.516 5.526 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.308 6.540 6.909 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.633 5.703 9.216 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.288 3.159 5.817 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.593 3.716 10.697 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.248 1.171 7.300 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.898 1.448 9.739 1.00 0.00 H new ATOM 284 N ASP A 93 -5.545 7.071 4.163 1.00 0.00 N ATOM 285 CA ASP A 93 -5.640 8.108 3.101 1.00 0.00 C ATOM 286 C ASP A 93 -7.105 8.323 2.715 1.00 0.00 C ATOM 287 O ASP A 93 -7.407 8.724 1.609 1.00 0.00 O ATOM 288 CB ASP A 93 -4.849 7.650 1.873 1.00 0.00 C ATOM 289 CG ASP A 93 -3.376 8.025 2.045 1.00 0.00 C ATOM 290 OD1 ASP A 93 -3.116 9.124 2.508 1.00 0.00 O ATOM 291 OD2 ASP A 93 -2.534 7.208 1.712 1.00 0.00 O ATOM 0 H ASP A 93 -5.510 6.108 3.828 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.227 9.045 3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.948 6.572 1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.251 8.116 0.974 1.00 0.00 H new ATOM 337 N ASN A 97 -4.907 12.198 1.474 1.00 0.00 N ATOM 338 CA ASN A 97 -4.251 12.574 0.189 1.00 0.00 C ATOM 339 C ASN A 97 -4.141 11.358 -0.733 1.00 0.00 C ATOM 340 O ASN A 97 -4.267 11.466 -1.937 1.00 0.00 O ATOM 341 CB ASN A 97 -2.847 13.109 0.482 1.00 0.00 C ATOM 342 CG ASN A 97 -2.326 13.874 -0.736 1.00 0.00 C ATOM 343 OD1 ASN A 97 -2.482 13.434 -1.857 1.00 0.00 O ATOM 344 ND2 ASN A 97 -1.711 15.013 -0.562 1.00 0.00 N ATOM 0 HA ASN A 97 -4.852 13.338 -0.304 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.871 13.764 1.353 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.175 12.285 0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.362 15.532 -1.367 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.580 15.383 0.379 1.00 0.00 H new ATOM 351 N GLY A 98 -3.888 10.206 -0.183 1.00 0.00 N ATOM 352 CA GLY A 98 -3.747 8.989 -1.027 1.00 0.00 C ATOM 353 C GLY A 98 -2.461 8.276 -0.622 1.00 0.00 C ATOM 354 O GLY A 98 -2.377 7.065 -0.629 1.00 0.00 O ATOM 0 H GLY A 98 -3.772 10.054 0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.605 8.331 -0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.716 9.260 -2.082 1.00 0.00 H new ATOM 358 N TYR A 99 -1.460 9.026 -0.248 1.00 0.00 N ATOM 359 CA TYR A 99 -0.180 8.404 0.179 1.00 0.00 C ATOM 360 C TYR A 99 -0.124 8.389 1.700 1.00 0.00 C ATOM 361 O TYR A 99 -0.677 9.246 2.361 1.00 0.00 O ATOM 362 CB TYR A 99 0.999 9.208 -0.378 1.00 0.00 C ATOM 363 CG TYR A 99 1.122 10.514 0.371 1.00 0.00 C ATOM 364 CD1 TYR A 99 1.894 10.579 1.538 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.464 11.657 -0.098 1.00 0.00 C ATOM 366 CE1 TYR A 99 2.010 11.788 2.233 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.580 12.867 0.597 1.00 0.00 C ATOM 368 CZ TYR A 99 1.352 12.931 1.764 1.00 0.00 C ATOM 369 OH TYR A 99 1.466 14.124 2.449 1.00 0.00 O ATOM 0 H TYR A 99 -1.476 10.046 -0.221 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.120 7.384 -0.201 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.921 8.634 -0.282 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.852 9.399 -1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.399 9.696 1.901 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.133 11.606 -0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.607 11.839 3.131 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.075 13.750 0.234 1.00 0.00 H new ATOM 0 HH TYR A 99 0.948 14.817 1.988 1.00 0.00 H new ATOM 379 N ILE A 100 0.527 7.416 2.264 1.00 0.00 N ATOM 380 CA ILE A 100 0.596 7.347 3.741 1.00 0.00 C ATOM 381 C ILE A 100 2.017 6.997 4.183 1.00 0.00 C ATOM 382 O ILE A 100 2.925 6.903 3.381 1.00 0.00 O ATOM 383 CB ILE A 100 -0.391 6.292 4.240 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.500 5.150 3.220 1.00 0.00 C ATOM 385 CG2 ILE A 100 -1.762 6.946 4.429 1.00 0.00 C ATOM 386 CD1 ILE A 100 -1.670 4.250 3.594 1.00 0.00 C ATOM 0 H ILE A 100 1.012 6.669 1.767 1.00 0.00 H new ATOM 0 HA ILE A 100 0.333 8.316 4.165 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.040 5.884 5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.644 5.555 2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.425 4.574 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.474 6.202 4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.683 7.751 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.106 7.351 3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.750 3.438 2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.507 3.836 4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.592 4.831 3.590 1.00 0.00 H new ATOM 398 N SER A 101 2.217 6.824 5.458 1.00 0.00 N ATOM 399 CA SER A 101 3.579 6.501 5.970 1.00 0.00 C ATOM 400 C SER A 101 3.788 4.987 5.995 1.00 0.00 C ATOM 401 O SER A 101 2.896 4.219 5.699 1.00 0.00 O ATOM 402 CB SER A 101 3.707 7.037 7.391 1.00 0.00 C ATOM 403 OG SER A 101 3.693 8.459 7.363 1.00 0.00 O ATOM 0 H SER A 101 1.492 6.893 6.173 1.00 0.00 H new ATOM 0 HA SER A 101 4.325 6.955 5.318 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.887 6.666 8.006 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.632 6.680 7.844 1.00 0.00 H new ATOM 0 HG SER A 101 3.774 8.805 8.276 1.00 0.00 H new ATOM 409 N ALA A 102 4.963 4.555 6.369 1.00 0.00 N ATOM 410 CA ALA A 102 5.228 3.092 6.438 1.00 0.00 C ATOM 411 C ALA A 102 4.400 2.511 7.578 1.00 0.00 C ATOM 412 O ALA A 102 3.932 1.392 7.512 1.00 0.00 O ATOM 413 CB ALA A 102 6.715 2.849 6.705 1.00 0.00 C ATOM 0 H ALA A 102 5.748 5.152 6.629 1.00 0.00 H new ATOM 0 HA ALA A 102 4.959 2.616 5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.905 1.777 6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.305 3.285 5.899 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.995 3.312 7.651 1.00 0.00 H new ATOM 419 N ALA A 103 4.197 3.270 8.620 1.00 0.00 N ATOM 420 CA ALA A 103 3.382 2.763 9.753 1.00 0.00 C ATOM 421 C ALA A 103 1.970 2.491 9.244 1.00 0.00 C ATOM 422 O ALA A 103 1.211 1.753 9.839 1.00 0.00 O ATOM 423 CB ALA A 103 3.336 3.807 10.870 1.00 0.00 C ATOM 0 H ALA A 103 4.560 4.216 8.733 1.00 0.00 H new ATOM 0 HA ALA A 103 3.822 1.848 10.149 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.736 3.428 11.698 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.348 4.011 11.219 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.891 4.727 10.490 1.00 0.00 H new ATOM 429 N GLU A 104 1.623 3.072 8.130 1.00 0.00 N ATOM 430 CA GLU A 104 0.274 2.835 7.561 1.00 0.00 C ATOM 431 C GLU A 104 0.257 1.435 6.958 1.00 0.00 C ATOM 432 O GLU A 104 -0.580 0.615 7.275 1.00 0.00 O ATOM 433 CB GLU A 104 -0.010 3.873 6.466 1.00 0.00 C ATOM 434 CG GLU A 104 -1.113 4.815 6.948 1.00 0.00 C ATOM 435 CD GLU A 104 -0.482 6.103 7.483 1.00 0.00 C ATOM 436 OE1 GLU A 104 0.163 6.037 8.517 1.00 0.00 O ATOM 437 OE2 GLU A 104 -0.654 7.132 6.851 1.00 0.00 O ATOM 0 H GLU A 104 2.218 3.701 7.591 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.488 2.923 8.335 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.894 4.437 6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.315 3.375 5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.795 5.044 6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.702 4.334 7.729 1.00 0.00 H new ATOM 444 N LEU A 105 1.194 1.165 6.096 1.00 0.00 N ATOM 445 CA LEU A 105 1.280 -0.171 5.449 1.00 0.00 C ATOM 446 C LEU A 105 1.388 -1.275 6.507 1.00 0.00 C ATOM 447 O LEU A 105 0.598 -2.192 6.534 1.00 0.00 O ATOM 448 CB LEU A 105 2.526 -0.196 4.574 1.00 0.00 C ATOM 449 CG LEU A 105 2.139 -0.536 3.139 1.00 0.00 C ATOM 450 CD1 LEU A 105 2.574 0.602 2.221 1.00 0.00 C ATOM 451 CD2 LEU A 105 2.842 -1.828 2.716 1.00 0.00 C ATOM 0 H LEU A 105 1.916 1.825 5.808 1.00 0.00 H new ATOM 0 HA LEU A 105 0.383 -0.346 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.025 0.773 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.234 -0.932 4.954 1.00 0.00 H new ATOM 0 HG LEU A 105 1.060 -0.671 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.300 0.365 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.079 1.524 2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.654 0.731 2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.567 -2.073 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.922 -1.692 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.539 -2.640 3.377 1.00 0.00 H new ATOM 463 N ARG A 106 2.370 -1.210 7.365 1.00 0.00 N ATOM 464 CA ARG A 106 2.523 -2.280 8.398 1.00 0.00 C ATOM 465 C ARG A 106 1.158 -2.659 8.977 1.00 0.00 C ATOM 466 O ARG A 106 0.859 -3.817 9.188 1.00 0.00 O ATOM 467 CB ARG A 106 3.420 -1.782 9.531 1.00 0.00 C ATOM 468 CG ARG A 106 2.836 -0.509 10.139 1.00 0.00 C ATOM 469 CD ARG A 106 1.873 -0.872 11.270 1.00 0.00 C ATOM 470 NE ARG A 106 2.386 -0.319 12.555 1.00 0.00 N ATOM 471 CZ ARG A 106 1.577 0.311 13.363 1.00 0.00 C ATOM 472 NH1 ARG A 106 0.339 -0.084 13.487 1.00 0.00 N ATOM 473 NH2 ARG A 106 2.007 1.336 14.047 1.00 0.00 N ATOM 0 H ARG A 106 3.070 -0.468 7.397 1.00 0.00 H new ATOM 0 HA ARG A 106 2.972 -3.154 7.926 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.513 -2.551 10.297 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.423 -1.587 9.152 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.637 0.124 10.520 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.313 0.064 9.373 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.881 -0.472 11.060 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.772 -1.955 11.342 1.00 0.00 H new ATOM 0 HE ARG A 106 3.369 -0.433 12.803 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.003 -0.885 12.952 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.293 0.409 14.118 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.974 1.644 13.950 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.376 1.829 14.679 1.00 0.00 H new ATOM 487 N HIS A 107 0.344 -1.687 9.256 1.00 0.00 N ATOM 488 CA HIS A 107 -0.996 -1.970 9.851 1.00 0.00 C ATOM 489 C HIS A 107 -1.955 -2.576 8.819 1.00 0.00 C ATOM 490 O HIS A 107 -2.785 -3.399 9.151 1.00 0.00 O ATOM 491 CB HIS A 107 -1.597 -0.665 10.378 1.00 0.00 C ATOM 492 CG HIS A 107 -2.967 -0.936 10.939 1.00 0.00 C ATOM 493 ND1 HIS A 107 -4.097 -1.486 10.384 1.00 0.00 N flip ATOM 494 CD2 HIS A 107 -3.301 -0.625 12.249 1.00 0.00 C flip ATOM 495 CE1 HIS A 107 -5.116 -1.517 11.332 1.00 0.00 C flip ATOM 496 NE2 HIS A 107 -4.584 -0.987 12.436 1.00 0.00 N flip ATOM 0 H HIS A 107 0.546 -0.700 9.098 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.862 -2.689 10.659 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.954 -0.241 11.149 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.660 0.070 9.575 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -4.177 -1.821 9.424 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.651 -0.175 12.984 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -6.121 -1.890 11.202 1.00 0.00 H new ATOM 504 N VAL A 108 -1.883 -2.167 7.580 1.00 0.00 N ATOM 505 CA VAL A 108 -2.836 -2.722 6.568 1.00 0.00 C ATOM 506 C VAL A 108 -2.250 -3.947 5.872 1.00 0.00 C ATOM 507 O VAL A 108 -2.828 -5.000 5.905 1.00 0.00 O ATOM 508 CB VAL A 108 -3.173 -1.667 5.515 1.00 0.00 C ATOM 509 CG1 VAL A 108 -4.681 -1.656 5.277 1.00 0.00 C ATOM 510 CG2 VAL A 108 -2.729 -0.281 5.989 1.00 0.00 C ATOM 0 H VAL A 108 -1.216 -1.482 7.226 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.742 -3.014 7.099 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.650 -1.911 4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.925 -0.904 4.526 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.001 -2.637 4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.195 -1.419 6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.976 0.460 5.229 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.242 -0.032 6.918 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.652 -0.282 6.159 1.00 0.00 H new ATOM 520 N MET A 109 -1.130 -3.829 5.219 1.00 0.00 N ATOM 521 CA MET A 109 -0.562 -5.018 4.517 1.00 0.00 C ATOM 522 C MET A 109 -0.332 -6.194 5.491 1.00 0.00 C ATOM 523 O MET A 109 0.007 -7.284 5.073 1.00 0.00 O ATOM 524 CB MET A 109 0.770 -4.630 3.881 1.00 0.00 C ATOM 525 CG MET A 109 0.988 -5.459 2.616 1.00 0.00 C ATOM 526 SD MET A 109 2.558 -4.991 1.850 1.00 0.00 S ATOM 527 CE MET A 109 3.545 -4.933 3.365 1.00 0.00 C ATOM 0 H MET A 109 -0.585 -2.970 5.139 1.00 0.00 H new ATOM 0 HA MET A 109 -1.274 -5.339 3.757 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.774 -3.567 3.638 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.585 -4.799 4.585 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.993 -6.521 2.861 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.168 -5.297 1.917 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.567 -4.640 3.123 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.113 -4.207 4.053 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.551 -5.917 3.833 1.00 0.00 H new ATOM 537 N THR A 110 -0.494 -5.995 6.775 1.00 0.00 N ATOM 538 CA THR A 110 -0.260 -7.117 7.741 1.00 0.00 C ATOM 539 C THR A 110 -1.534 -7.959 7.924 1.00 0.00 C ATOM 540 O THR A 110 -1.491 -9.056 8.441 1.00 0.00 O ATOM 541 CB THR A 110 0.159 -6.539 9.092 1.00 0.00 C ATOM 542 OG1 THR A 110 0.477 -7.600 9.983 1.00 0.00 O ATOM 543 CG2 THR A 110 -0.990 -5.716 9.666 1.00 0.00 C ATOM 0 H THR A 110 -0.777 -5.110 7.196 1.00 0.00 H new ATOM 0 HA THR A 110 0.527 -7.759 7.344 1.00 0.00 H new ATOM 0 HB THR A 110 1.034 -5.902 8.963 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.012 -8.407 9.719 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.695 -5.302 10.630 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.233 -4.904 8.981 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.864 -6.354 9.797 1.00 0.00 H new ATOM 551 N ASN A 111 -2.662 -7.457 7.512 1.00 0.00 N ATOM 552 CA ASN A 111 -3.928 -8.233 7.667 1.00 0.00 C ATOM 553 C ASN A 111 -4.583 -8.414 6.294 1.00 0.00 C ATOM 554 O ASN A 111 -5.246 -9.398 6.034 1.00 0.00 O ATOM 555 CB ASN A 111 -4.882 -7.480 8.599 1.00 0.00 C ATOM 556 CG ASN A 111 -4.774 -5.974 8.348 1.00 0.00 C ATOM 557 OD1 ASN A 111 -4.676 -5.541 7.219 1.00 0.00 O ATOM 558 ND2 ASN A 111 -4.791 -5.152 9.363 1.00 0.00 N ATOM 0 H ASN A 111 -2.765 -6.542 7.074 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.706 -9.210 8.095 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.906 -7.813 8.432 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.640 -7.703 9.638 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.722 -4.146 9.206 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.873 -5.516 10.312 1.00 0.00 H new ATOM 565 N LEU A 112 -4.394 -7.463 5.418 1.00 0.00 N ATOM 566 CA LEU A 112 -4.985 -7.548 4.050 1.00 0.00 C ATOM 567 C LEU A 112 -4.901 -8.986 3.534 1.00 0.00 C ATOM 568 O LEU A 112 -5.759 -9.804 3.800 1.00 0.00 O ATOM 569 CB LEU A 112 -4.197 -6.619 3.114 1.00 0.00 C ATOM 570 CG LEU A 112 -4.865 -5.239 3.030 1.00 0.00 C ATOM 571 CD1 LEU A 112 -5.954 -5.271 1.958 1.00 0.00 C ATOM 572 CD2 LEU A 112 -5.490 -4.870 4.382 1.00 0.00 C ATOM 0 H LEU A 112 -3.848 -6.620 5.595 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.032 -7.246 4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.174 -6.512 3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.138 -7.061 2.119 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.113 -4.493 2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.431 -4.293 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.509 -5.521 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.699 -6.022 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.961 -3.889 4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.240 -5.614 4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.714 -4.844 5.147 1.00 0.00 H new ATOM 584 N GLY A 113 -3.875 -9.300 2.796 1.00 0.00 N ATOM 585 CA GLY A 113 -3.730 -10.683 2.264 1.00 0.00 C ATOM 586 C GLY A 113 -2.249 -11.062 2.265 1.00 0.00 C ATOM 587 O GLY A 113 -1.842 -12.025 1.644 1.00 0.00 O ATOM 0 H GLY A 113 -3.127 -8.656 2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.299 -11.384 2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.133 -10.742 1.253 1.00 0.00 H new ATOM 591 N GLU A 114 -1.440 -10.305 2.955 1.00 0.00 N ATOM 592 CA GLU A 114 0.016 -10.608 3.001 1.00 0.00 C ATOM 593 C GLU A 114 0.409 -11.016 4.419 1.00 0.00 C ATOM 594 O GLU A 114 1.087 -12.001 4.625 1.00 0.00 O ATOM 595 CB GLU A 114 0.806 -9.361 2.598 1.00 0.00 C ATOM 596 CG GLU A 114 0.624 -9.104 1.101 1.00 0.00 C ATOM 597 CD GLU A 114 1.471 -10.098 0.306 1.00 0.00 C ATOM 598 OE1 GLU A 114 0.981 -11.184 0.040 1.00 0.00 O ATOM 599 OE2 GLU A 114 2.594 -9.756 -0.025 1.00 0.00 O ATOM 0 H GLU A 114 -1.728 -9.486 3.491 1.00 0.00 H new ATOM 0 HA GLU A 114 0.238 -11.423 2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.463 -8.499 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.863 -9.496 2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.427 -9.206 0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.919 -8.083 0.858 1.00 0.00 H new ATOM 606 N LYS A 115 -0.014 -10.264 5.403 1.00 0.00 N ATOM 607 CA LYS A 115 0.336 -10.607 6.813 1.00 0.00 C ATOM 608 C LYS A 115 1.804 -11.026 6.890 1.00 0.00 C ATOM 609 O LYS A 115 2.148 -12.175 6.688 1.00 0.00 O ATOM 610 CB LYS A 115 -0.551 -11.752 7.326 1.00 0.00 C ATOM 611 CG LYS A 115 -1.165 -12.518 6.151 1.00 0.00 C ATOM 612 CD LYS A 115 -2.285 -13.423 6.662 1.00 0.00 C ATOM 613 CE LYS A 115 -2.193 -14.785 5.971 1.00 0.00 C ATOM 614 NZ LYS A 115 -3.203 -15.708 6.561 1.00 0.00 N ATOM 0 H LYS A 115 -0.587 -9.427 5.290 1.00 0.00 H new ATOM 0 HA LYS A 115 0.171 -9.728 7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 115 0.040 -12.430 7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.342 -11.352 7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -1.557 -11.819 5.412 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -0.401 -13.114 5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.205 -13.545 7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.255 -12.967 6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.366 -14.675 4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -1.192 -15.199 6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.142 -16.635 6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.017 -15.821 7.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -4.155 -15.313 6.425 1.00 0.00 H new ATOM 628 N LEU A 116 2.672 -10.100 7.186 1.00 0.00 N ATOM 629 CA LEU A 116 4.118 -10.432 7.283 1.00 0.00 C ATOM 630 C LEU A 116 4.665 -9.880 8.608 1.00 0.00 C ATOM 631 O LEU A 116 4.266 -10.307 9.674 1.00 0.00 O ATOM 632 CB LEU A 116 4.859 -9.806 6.096 1.00 0.00 C ATOM 633 CG LEU A 116 4.406 -8.352 5.918 1.00 0.00 C ATOM 634 CD1 LEU A 116 5.442 -7.596 5.084 1.00 0.00 C ATOM 635 CD2 LEU A 116 3.054 -8.320 5.201 1.00 0.00 C ATOM 0 H LEU A 116 2.440 -9.123 7.366 1.00 0.00 H new ATOM 0 HA LEU A 116 4.263 -11.512 7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.935 -9.844 6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.658 -10.374 5.188 1.00 0.00 H new ATOM 0 HG LEU A 116 4.309 -7.880 6.896 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.122 -6.562 4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.405 -7.617 5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.538 -8.069 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.733 -7.286 5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.150 -8.792 4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.315 -8.860 5.793 1.00 0.00 H new ATOM 647 N THR A 117 5.561 -8.931 8.560 1.00 0.00 N ATOM 648 CA THR A 117 6.106 -8.359 9.820 1.00 0.00 C ATOM 649 C THR A 117 6.154 -6.841 9.677 1.00 0.00 C ATOM 650 O THR A 117 5.987 -6.314 8.596 1.00 0.00 O ATOM 651 CB THR A 117 7.517 -8.902 10.066 1.00 0.00 C ATOM 652 OG1 THR A 117 7.620 -10.210 9.522 1.00 0.00 O ATOM 653 CG2 THR A 117 7.791 -8.948 11.570 1.00 0.00 C ATOM 0 H THR A 117 5.938 -8.529 7.702 1.00 0.00 H new ATOM 0 HA THR A 117 5.473 -8.636 10.663 1.00 0.00 H new ATOM 0 HB THR A 117 8.248 -8.251 9.586 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.523 -10.559 9.677 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.795 -9.334 11.745 1.00 0.00 H new ATOM 0 HG22 THR A 117 7.711 -7.943 11.985 1.00 0.00 H new ATOM 0 HG23 THR A 117 7.062 -9.599 12.053 1.00 0.00 H new ATOM 661 N ASP A 118 6.374 -6.129 10.743 1.00 0.00 N ATOM 662 CA ASP A 118 6.422 -4.644 10.638 1.00 0.00 C ATOM 663 C ASP A 118 7.772 -4.221 10.059 1.00 0.00 C ATOM 664 O ASP A 118 7.886 -3.203 9.407 1.00 0.00 O ATOM 665 CB ASP A 118 6.239 -4.023 12.024 1.00 0.00 C ATOM 666 CG ASP A 118 6.536 -2.525 11.954 1.00 0.00 C ATOM 667 OD1 ASP A 118 5.746 -1.811 11.360 1.00 0.00 O ATOM 668 OD2 ASP A 118 7.552 -2.117 12.494 1.00 0.00 O ATOM 0 H ASP A 118 6.522 -6.507 11.679 1.00 0.00 H new ATOM 0 HA ASP A 118 5.621 -4.300 9.983 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.220 -4.187 12.376 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.905 -4.504 12.741 1.00 0.00 H new ATOM 673 N GLU A 119 8.800 -4.993 10.287 1.00 0.00 N ATOM 674 CA GLU A 119 10.133 -4.623 9.738 1.00 0.00 C ATOM 675 C GLU A 119 10.201 -5.026 8.266 1.00 0.00 C ATOM 676 O GLU A 119 11.003 -4.516 7.509 1.00 0.00 O ATOM 677 CB GLU A 119 11.236 -5.340 10.523 1.00 0.00 C ATOM 678 CG GLU A 119 11.114 -6.853 10.325 1.00 0.00 C ATOM 679 CD GLU A 119 12.228 -7.559 11.099 1.00 0.00 C ATOM 680 OE1 GLU A 119 13.299 -6.987 11.211 1.00 0.00 O ATOM 681 OE2 GLU A 119 11.991 -8.659 11.569 1.00 0.00 O ATOM 0 H GLU A 119 8.774 -5.858 10.826 1.00 0.00 H new ATOM 0 HA GLU A 119 10.277 -3.546 9.828 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.215 -4.998 10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.159 -5.095 11.582 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.140 -7.199 10.672 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.181 -7.099 9.265 1.00 0.00 H new ATOM 688 N GLU A 120 9.353 -5.926 7.850 1.00 0.00 N ATOM 689 CA GLU A 120 9.357 -6.346 6.422 1.00 0.00 C ATOM 690 C GLU A 120 8.476 -5.380 5.630 1.00 0.00 C ATOM 691 O GLU A 120 8.855 -4.888 4.586 1.00 0.00 O ATOM 692 CB GLU A 120 8.803 -7.768 6.300 1.00 0.00 C ATOM 693 CG GLU A 120 9.508 -8.679 7.307 1.00 0.00 C ATOM 694 CD GLU A 120 10.637 -9.438 6.609 1.00 0.00 C ATOM 695 OE1 GLU A 120 10.346 -10.432 5.967 1.00 0.00 O ATOM 696 OE2 GLU A 120 11.774 -9.012 6.729 1.00 0.00 O ATOM 0 H GLU A 120 8.658 -6.388 8.437 1.00 0.00 H new ATOM 0 HA GLU A 120 10.374 -6.330 6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.729 -7.768 6.484 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.953 -8.143 5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.909 -8.087 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.795 -9.382 7.738 1.00 0.00 H new ATOM 703 N VAL A 121 7.307 -5.098 6.133 1.00 0.00 N ATOM 704 CA VAL A 121 6.395 -4.153 5.431 1.00 0.00 C ATOM 705 C VAL A 121 7.048 -2.772 5.387 1.00 0.00 C ATOM 706 O VAL A 121 6.965 -2.062 4.405 1.00 0.00 O ATOM 707 CB VAL A 121 5.066 -4.058 6.194 1.00 0.00 C ATOM 708 CG1 VAL A 121 5.332 -3.911 7.693 1.00 0.00 C ATOM 709 CG2 VAL A 121 4.279 -2.844 5.699 1.00 0.00 C ATOM 0 H VAL A 121 6.942 -5.483 7.004 1.00 0.00 H new ATOM 0 HA VAL A 121 6.207 -4.510 4.418 1.00 0.00 H new ATOM 0 HB VAL A 121 4.490 -4.967 6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.384 -3.844 8.226 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.889 -4.777 8.050 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.913 -3.007 7.872 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.335 -2.777 6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.861 -1.939 5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.079 -2.950 4.633 1.00 0.00 H new ATOM 719 N ASP A 122 7.688 -2.386 6.454 1.00 0.00 N ATOM 720 CA ASP A 122 8.341 -1.046 6.496 1.00 0.00 C ATOM 721 C ASP A 122 9.639 -1.066 5.683 1.00 0.00 C ATOM 722 O ASP A 122 9.955 -0.126 4.982 1.00 0.00 O ATOM 723 CB ASP A 122 8.654 -0.687 7.951 1.00 0.00 C ATOM 724 CG ASP A 122 9.425 0.633 8.002 1.00 0.00 C ATOM 725 OD1 ASP A 122 9.237 1.441 7.109 1.00 0.00 O ATOM 726 OD2 ASP A 122 10.190 0.813 8.935 1.00 0.00 O ATOM 0 H ASP A 122 7.788 -2.942 7.303 1.00 0.00 H new ATOM 0 HA ASP A 122 7.668 -0.304 6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 122 7.729 -0.601 8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.241 -1.480 8.413 1.00 0.00 H new ATOM 731 N GLU A 123 10.396 -2.125 5.771 1.00 0.00 N ATOM 732 CA GLU A 123 11.673 -2.192 5.005 1.00 0.00 C ATOM 733 C GLU A 123 11.374 -2.425 3.521 1.00 0.00 C ATOM 734 O GLU A 123 12.226 -2.248 2.674 1.00 0.00 O ATOM 735 CB GLU A 123 12.527 -3.343 5.539 1.00 0.00 C ATOM 736 CG GLU A 123 13.931 -3.259 4.937 1.00 0.00 C ATOM 737 CD GLU A 123 14.797 -2.334 5.791 1.00 0.00 C ATOM 738 OE1 GLU A 123 15.337 -2.803 6.779 1.00 0.00 O ATOM 739 OE2 GLU A 123 14.906 -1.168 5.445 1.00 0.00 O ATOM 0 H GLU A 123 10.186 -2.946 6.339 1.00 0.00 H new ATOM 0 HA GLU A 123 12.213 -1.252 5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.583 -3.294 6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 123 12.068 -4.299 5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.378 -4.252 4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.878 -2.884 3.915 1.00 0.00 H new ATOM 746 N MET A 124 10.174 -2.826 3.200 1.00 0.00 N ATOM 747 CA MET A 124 9.830 -3.073 1.771 1.00 0.00 C ATOM 748 C MET A 124 9.203 -1.815 1.167 1.00 0.00 C ATOM 749 O MET A 124 9.138 -1.660 -0.037 1.00 0.00 O ATOM 750 CB MET A 124 8.836 -4.232 1.681 1.00 0.00 C ATOM 751 CG MET A 124 8.529 -4.527 0.213 1.00 0.00 C ATOM 752 SD MET A 124 8.983 -6.238 -0.166 1.00 0.00 S ATOM 753 CE MET A 124 10.232 -5.869 -1.422 1.00 0.00 C ATOM 0 H MET A 124 9.418 -2.993 3.864 1.00 0.00 H new ATOM 0 HA MET A 124 10.736 -3.325 1.219 1.00 0.00 H new ATOM 0 HB2 MET A 124 9.250 -5.118 2.162 1.00 0.00 H new ATOM 0 HB3 MET A 124 7.918 -3.980 2.212 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.469 -4.368 0.013 1.00 0.00 H new ATOM 0 HG3 MET A 124 9.081 -3.842 -0.430 1.00 0.00 H new ATOM 0 HE1 MET A 124 10.653 -6.800 -1.801 1.00 0.00 H new ATOM 0 HE2 MET A 124 9.771 -5.319 -2.242 1.00 0.00 H new ATOM 0 HE3 MET A 124 11.025 -5.266 -0.980 1.00 0.00 H new ATOM 763 N ILE A 125 8.743 -0.913 1.989 1.00 0.00 N ATOM 764 CA ILE A 125 8.123 0.332 1.454 1.00 0.00 C ATOM 765 C ILE A 125 9.211 1.201 0.821 1.00 0.00 C ATOM 766 O ILE A 125 8.930 2.210 0.213 1.00 0.00 O ATOM 767 CB ILE A 125 7.415 1.078 2.603 1.00 0.00 C ATOM 768 CG1 ILE A 125 5.907 0.996 2.386 1.00 0.00 C ATOM 769 CG2 ILE A 125 7.830 2.556 2.662 1.00 0.00 C ATOM 770 CD1 ILE A 125 5.228 0.625 3.703 1.00 0.00 C ATOM 0 H ILE A 125 8.769 -0.984 3.006 1.00 0.00 H new ATOM 0 HA ILE A 125 7.383 0.092 0.690 1.00 0.00 H new ATOM 0 HB ILE A 125 7.702 0.608 3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.527 1.952 2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.678 0.252 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.310 3.047 3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 125 8.906 2.626 2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.569 3.045 1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.150 0.565 3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.601 -0.341 4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.448 1.385 4.453 1.00 0.00 H new ATOM 782 N ARG A 126 10.449 0.817 0.945 1.00 0.00 N ATOM 783 CA ARG A 126 11.531 1.628 0.324 1.00 0.00 C ATOM 784 C ARG A 126 11.448 1.473 -1.200 1.00 0.00 C ATOM 785 O ARG A 126 12.199 2.078 -1.938 1.00 0.00 O ATOM 786 CB ARG A 126 12.893 1.136 0.818 1.00 0.00 C ATOM 787 CG ARG A 126 12.833 0.892 2.326 1.00 0.00 C ATOM 788 CD ARG A 126 14.253 0.743 2.876 1.00 0.00 C ATOM 789 NE ARG A 126 15.028 -0.184 2.005 1.00 0.00 N ATOM 790 CZ ARG A 126 16.291 -0.409 2.251 1.00 0.00 C ATOM 791 NH1 ARG A 126 16.802 -0.068 3.402 1.00 0.00 N ATOM 792 NH2 ARG A 126 17.041 -0.975 1.345 1.00 0.00 N ATOM 0 H ARG A 126 10.757 -0.017 1.445 1.00 0.00 H new ATOM 0 HA ARG A 126 11.413 2.676 0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.168 0.217 0.301 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.662 1.873 0.589 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.326 1.721 2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.254 -0.007 2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.743 1.716 2.916 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.221 0.360 3.896 1.00 0.00 H new ATOM 0 HE ARG A 126 14.572 -0.643 1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.215 0.374 4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.788 -0.244 3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.641 -1.241 0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.027 -1.151 1.537 1.00 0.00 H new ATOM 806 N GLU A 127 10.543 0.653 -1.670 1.00 0.00 N ATOM 807 CA GLU A 127 10.405 0.434 -3.133 1.00 0.00 C ATOM 808 C GLU A 127 9.201 1.213 -3.677 1.00 0.00 C ATOM 809 O GLU A 127 9.196 1.643 -4.813 1.00 0.00 O ATOM 810 CB GLU A 127 10.182 -1.057 -3.380 1.00 0.00 C ATOM 811 CG GLU A 127 11.528 -1.784 -3.369 1.00 0.00 C ATOM 812 CD GLU A 127 12.132 -1.718 -1.965 1.00 0.00 C ATOM 813 OE1 GLU A 127 11.823 -2.589 -1.166 1.00 0.00 O ATOM 814 OE2 GLU A 127 12.892 -0.799 -1.711 1.00 0.00 O ATOM 0 H GLU A 127 9.890 0.123 -1.093 1.00 0.00 H new ATOM 0 HA GLU A 127 11.307 0.779 -3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 127 9.528 -1.470 -2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 127 9.684 -1.207 -4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.395 -2.823 -3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 127 12.206 -1.327 -4.090 1.00 0.00 H new ATOM 821 N ALA A 128 8.169 1.380 -2.890 1.00 0.00 N ATOM 822 CA ALA A 128 6.967 2.108 -3.391 1.00 0.00 C ATOM 823 C ALA A 128 7.010 3.573 -2.952 1.00 0.00 C ATOM 824 O ALA A 128 6.411 4.433 -3.567 1.00 0.00 O ATOM 825 CB ALA A 128 5.718 1.445 -2.816 1.00 0.00 C ATOM 0 H ALA A 128 8.107 1.046 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 128 6.950 2.070 -4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.831 1.967 -3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.679 0.403 -3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.751 1.490 -1.727 1.00 0.00 H new ATOM 831 N ASP A 129 7.702 3.860 -1.891 1.00 0.00 N ATOM 832 CA ASP A 129 7.776 5.264 -1.400 1.00 0.00 C ATOM 833 C ASP A 129 8.971 5.977 -2.042 1.00 0.00 C ATOM 834 O ASP A 129 8.807 6.875 -2.842 1.00 0.00 O ATOM 835 CB ASP A 129 7.924 5.251 0.124 1.00 0.00 C ATOM 836 CG ASP A 129 8.399 6.621 0.616 1.00 0.00 C ATOM 837 OD1 ASP A 129 8.302 7.569 -0.145 1.00 0.00 O ATOM 838 OD2 ASP A 129 8.851 6.698 1.746 1.00 0.00 O ATOM 0 H ASP A 129 8.224 3.181 -1.337 1.00 0.00 H new ATOM 0 HA ASP A 129 6.866 5.799 -1.672 1.00 0.00 H new ATOM 0 HB2 ASP A 129 6.970 4.999 0.588 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.636 4.482 0.422 1.00 0.00 H new ATOM 893 N GLY A 134 4.230 11.134 -3.180 1.00 0.00 N ATOM 894 CA GLY A 134 3.542 10.607 -1.967 1.00 0.00 C ATOM 895 C GLY A 134 4.213 9.301 -1.538 1.00 0.00 C ATOM 896 O GLY A 134 4.427 8.413 -2.339 1.00 0.00 O ATOM 0 HA2 GLY A 134 3.591 11.338 -1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.486 10.436 -2.178 1.00 0.00 H new ATOM 900 N GLN A 135 4.552 9.180 -0.284 1.00 0.00 N ATOM 901 CA GLN A 135 5.215 7.931 0.193 1.00 0.00 C ATOM 902 C GLN A 135 4.517 6.713 -0.418 1.00 0.00 C ATOM 903 O GLN A 135 4.839 6.282 -1.507 1.00 0.00 O ATOM 904 CB GLN A 135 5.127 7.862 1.719 1.00 0.00 C ATOM 905 CG GLN A 135 5.988 8.968 2.332 1.00 0.00 C ATOM 906 CD GLN A 135 7.267 8.359 2.907 1.00 0.00 C ATOM 907 OE1 GLN A 135 7.221 7.367 3.607 1.00 0.00 O ATOM 908 NE2 GLN A 135 8.416 8.916 2.641 1.00 0.00 N ATOM 0 H GLN A 135 4.399 9.891 0.431 1.00 0.00 H new ATOM 0 HA GLN A 135 6.262 7.935 -0.111 1.00 0.00 H new ATOM 0 HB2 GLN A 135 4.091 7.974 2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.466 6.887 2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 135 6.235 9.712 1.575 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.433 9.483 3.116 1.00 0.00 H new ATOM 0 HE21 GLN A 135 8.455 9.749 2.053 1.00 0.00 H new ATOM 0 HE22 GLN A 135 9.275 8.519 3.021 1.00 0.00 H new ATOM 917 N VAL A 136 3.557 6.162 0.269 1.00 0.00 N ATOM 918 CA VAL A 136 2.833 4.978 -0.277 1.00 0.00 C ATOM 919 C VAL A 136 1.456 5.444 -0.753 1.00 0.00 C ATOM 920 O VAL A 136 0.538 5.579 0.028 1.00 0.00 O ATOM 921 CB VAL A 136 2.709 3.891 0.816 1.00 0.00 C ATOM 922 CG1 VAL A 136 3.024 4.482 2.193 1.00 0.00 C ATOM 923 CG2 VAL A 136 1.292 3.307 0.845 1.00 0.00 C ATOM 0 H VAL A 136 3.241 6.479 1.185 1.00 0.00 H new ATOM 0 HA VAL A 136 3.377 4.543 -1.115 1.00 0.00 H new ATOM 0 HB VAL A 136 3.422 3.101 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 136 2.933 3.705 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 136 4.041 4.875 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 136 2.323 5.288 2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.229 2.545 1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.576 4.101 1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.063 2.860 -0.122 1.00 0.00 H new ATOM 933 N ASN A 137 1.309 5.711 -2.018 1.00 0.00 N ATOM 934 CA ASN A 137 -0.005 6.205 -2.515 1.00 0.00 C ATOM 935 C ASN A 137 -0.796 5.134 -3.264 1.00 0.00 C ATOM 936 O ASN A 137 -1.331 5.393 -4.317 1.00 0.00 O ATOM 937 CB ASN A 137 0.227 7.399 -3.431 1.00 0.00 C ATOM 938 CG ASN A 137 0.674 6.926 -4.824 1.00 0.00 C ATOM 939 OD1 ASN A 137 1.201 5.735 -4.972 1.00 0.00 O flip ATOM 940 ND2 ASN A 137 0.542 7.651 -5.791 1.00 0.00 N flip ATOM 0 H ASN A 137 2.036 5.610 -2.727 1.00 0.00 H new ATOM 0 HA ASN A 137 -0.598 6.490 -1.646 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -0.689 7.984 -3.515 1.00 0.00 H new ATOM 0 HB3 ASN A 137 0.985 8.053 -3.001 1.00 0.00 H new ATOM 0 HD21 ASN A 137 0.132 8.579 -5.681 1.00 0.00 H new ATOM 0 HD22 ASN A 137 0.841 7.332 -6.712 1.00 0.00 H new ATOM 947 N TYR A 138 -0.930 3.966 -2.701 1.00 0.00 N ATOM 948 CA TYR A 138 -1.753 2.902 -3.353 1.00 0.00 C ATOM 949 C TYR A 138 -1.182 2.483 -4.704 1.00 0.00 C ATOM 950 O TYR A 138 -0.582 1.444 -4.828 1.00 0.00 O ATOM 951 CB TYR A 138 -3.170 3.436 -3.553 1.00 0.00 C ATOM 952 CG TYR A 138 -3.771 3.695 -2.203 1.00 0.00 C ATOM 953 CD1 TYR A 138 -3.228 4.672 -1.360 1.00 0.00 C ATOM 954 CD2 TYR A 138 -4.858 2.940 -1.788 1.00 0.00 C ATOM 955 CE1 TYR A 138 -3.780 4.888 -0.096 1.00 0.00 C ATOM 956 CE2 TYR A 138 -5.413 3.154 -0.522 1.00 0.00 C ATOM 957 CZ TYR A 138 -4.871 4.128 0.324 1.00 0.00 C ATOM 958 OH TYR A 138 -5.409 4.336 1.574 1.00 0.00 O ATOM 0 H TYR A 138 -0.504 3.699 -1.814 1.00 0.00 H new ATOM 0 HA TYR A 138 -1.750 2.025 -2.706 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.151 4.353 -4.142 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -3.773 2.715 -4.105 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -2.382 5.258 -1.687 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -5.275 2.188 -2.441 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.363 5.642 0.555 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -6.260 2.568 -0.197 1.00 0.00 H new ATOM 0 HH TYR A 138 -4.787 4.008 2.257 1.00 0.00 H new ATOM 968 N GLU A 139 -1.404 3.256 -5.722 1.00 0.00 N ATOM 969 CA GLU A 139 -0.905 2.881 -7.070 1.00 0.00 C ATOM 970 C GLU A 139 0.486 2.251 -6.951 1.00 0.00 C ATOM 971 O GLU A 139 0.850 1.373 -7.708 1.00 0.00 O ATOM 972 CB GLU A 139 -0.824 4.126 -7.960 1.00 0.00 C ATOM 973 CG GLU A 139 -2.040 5.019 -7.710 1.00 0.00 C ATOM 974 CD GLU A 139 -2.210 5.990 -8.882 1.00 0.00 C ATOM 975 OE1 GLU A 139 -1.239 6.638 -9.235 1.00 0.00 O ATOM 976 OE2 GLU A 139 -3.310 6.067 -9.405 1.00 0.00 O ATOM 0 H GLU A 139 -1.913 4.139 -5.680 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.593 2.162 -7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.093 4.676 -7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.786 3.833 -9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.936 4.408 -7.597 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -1.912 5.573 -6.780 1.00 0.00 H new ATOM 983 N GLU A 140 1.265 2.693 -6.001 1.00 0.00 N ATOM 984 CA GLU A 140 2.628 2.120 -5.826 1.00 0.00 C ATOM 985 C GLU A 140 2.617 1.109 -4.672 1.00 0.00 C ATOM 986 O GLU A 140 3.433 0.212 -4.608 1.00 0.00 O ATOM 987 CB GLU A 140 3.613 3.246 -5.503 1.00 0.00 C ATOM 988 CG GLU A 140 4.208 3.792 -6.803 1.00 0.00 C ATOM 989 CD GLU A 140 5.405 2.935 -7.217 1.00 0.00 C ATOM 990 OE1 GLU A 140 5.202 1.766 -7.497 1.00 0.00 O ATOM 991 OE2 GLU A 140 6.505 3.463 -7.246 1.00 0.00 O ATOM 0 H GLU A 140 1.015 3.427 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 140 2.931 1.618 -6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 140 3.105 4.043 -4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 140 4.407 2.874 -4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 140 3.454 3.787 -7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 140 4.519 4.828 -6.666 1.00 0.00 H new ATOM 998 N PHE A 141 1.706 1.268 -3.750 1.00 0.00 N ATOM 999 CA PHE A 141 1.636 0.342 -2.575 1.00 0.00 C ATOM 1000 C PHE A 141 1.190 -1.066 -3.002 1.00 0.00 C ATOM 1001 O PHE A 141 1.598 -2.051 -2.421 1.00 0.00 O ATOM 1002 CB PHE A 141 0.647 0.934 -1.569 1.00 0.00 C ATOM 1003 CG PHE A 141 0.174 -0.112 -0.587 1.00 0.00 C ATOM 1004 CD1 PHE A 141 1.062 -1.065 -0.083 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -1.162 -0.113 -0.174 1.00 0.00 C ATOM 1006 CE1 PHE A 141 0.615 -2.018 0.836 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -1.611 -1.066 0.742 1.00 0.00 C ATOM 1008 CZ PHE A 141 -0.724 -2.019 1.250 1.00 0.00 C ATOM 0 H PHE A 141 1.000 2.005 -3.758 1.00 0.00 H new ATOM 0 HA PHE A 141 2.624 0.243 -2.126 1.00 0.00 H new ATOM 0 HB2 PHE A 141 1.120 1.755 -1.030 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -0.209 1.352 -2.099 1.00 0.00 H new ATOM 0 HD1 PHE A 141 2.093 -1.065 -0.403 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -1.848 0.625 -0.564 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.302 -2.754 1.227 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.644 -1.067 1.058 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.070 -2.755 1.961 1.00 0.00 H new ATOM 1018 N VAL A 142 0.365 -1.177 -4.003 1.00 0.00 N ATOM 1019 CA VAL A 142 -0.087 -2.525 -4.445 1.00 0.00 C ATOM 1020 C VAL A 142 1.116 -3.306 -4.978 1.00 0.00 C ATOM 1021 O VAL A 142 1.046 -4.498 -5.201 1.00 0.00 O ATOM 1022 CB VAL A 142 -1.136 -2.374 -5.550 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -0.654 -1.346 -6.576 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -1.350 -3.722 -6.243 1.00 0.00 C ATOM 0 H VAL A 142 -0.016 -0.394 -4.534 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.527 -3.062 -3.604 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.076 -2.038 -5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.401 -1.239 -7.362 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.504 -0.385 -6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.287 -1.681 -7.013 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -2.097 -3.612 -7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.410 -4.060 -6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.695 -4.455 -5.514 1.00 0.00 H new ATOM 1034 N GLN A 143 2.221 -2.640 -5.181 1.00 0.00 N ATOM 1035 CA GLN A 143 3.429 -3.342 -5.694 1.00 0.00 C ATOM 1036 C GLN A 143 3.952 -4.301 -4.625 1.00 0.00 C ATOM 1037 O GLN A 143 4.444 -5.371 -4.928 1.00 0.00 O ATOM 1038 CB GLN A 143 4.510 -2.314 -6.032 1.00 0.00 C ATOM 1039 CG GLN A 143 5.673 -3.012 -6.742 1.00 0.00 C ATOM 1040 CD GLN A 143 6.683 -1.966 -7.216 1.00 0.00 C ATOM 1041 OE1 GLN A 143 7.853 -2.049 -6.900 1.00 0.00 O ATOM 1042 NE2 GLN A 143 6.278 -0.978 -7.966 1.00 0.00 N ATOM 0 H GLN A 143 2.338 -1.641 -5.013 1.00 0.00 H new ATOM 0 HA GLN A 143 3.170 -3.905 -6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.097 -1.532 -6.670 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.864 -1.829 -5.122 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.155 -3.718 -6.066 1.00 0.00 H new ATOM 0 HG3 GLN A 143 5.303 -3.586 -7.591 1.00 0.00 H new ATOM 0 HE21 GLN A 143 5.296 -0.909 -8.231 1.00 0.00 H new ATOM 0 HE22 GLN A 143 6.944 -0.275 -8.287 1.00 0.00 H new ATOM 1051 N MET A 144 3.851 -3.934 -3.375 1.00 0.00 N ATOM 1052 CA MET A 144 4.348 -4.846 -2.296 1.00 0.00 C ATOM 1053 C MET A 144 3.360 -5.999 -2.125 1.00 0.00 C ATOM 1054 O MET A 144 3.738 -7.123 -1.862 1.00 0.00 O ATOM 1055 CB MET A 144 4.481 -4.108 -0.954 1.00 0.00 C ATOM 1056 CG MET A 144 4.341 -2.607 -1.163 1.00 0.00 C ATOM 1057 SD MET A 144 5.053 -1.709 0.226 1.00 0.00 S ATOM 1058 CE MET A 144 4.491 -0.087 -0.334 1.00 0.00 C ATOM 0 H MET A 144 3.451 -3.053 -3.054 1.00 0.00 H new ATOM 0 HA MET A 144 5.331 -5.215 -2.588 1.00 0.00 H new ATOM 0 HB2 MET A 144 3.717 -4.459 -0.261 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.448 -4.331 -0.502 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.839 -2.314 -2.087 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.288 -2.345 -1.272 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.227 0.668 -0.059 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.370 -0.098 -1.417 1.00 0.00 H new ATOM 0 HE3 MET A 144 3.536 0.149 0.136 1.00 0.00 H new ATOM 1068 N MET A 145 2.092 -5.726 -2.270 1.00 0.00 N ATOM 1069 CA MET A 145 1.072 -6.800 -2.115 1.00 0.00 C ATOM 1070 C MET A 145 1.365 -7.929 -3.104 1.00 0.00 C ATOM 1071 O MET A 145 1.618 -9.054 -2.721 1.00 0.00 O ATOM 1072 CB MET A 145 -0.320 -6.227 -2.396 1.00 0.00 C ATOM 1073 CG MET A 145 -0.539 -4.971 -1.549 1.00 0.00 C ATOM 1074 SD MET A 145 -1.454 -5.405 -0.048 1.00 0.00 S ATOM 1075 CE MET A 145 -2.863 -6.201 -0.859 1.00 0.00 C ATOM 0 H MET A 145 1.718 -4.803 -2.490 1.00 0.00 H new ATOM 0 HA MET A 145 1.107 -7.189 -1.097 1.00 0.00 H new ATOM 0 HB2 MET A 145 -0.418 -5.986 -3.454 1.00 0.00 H new ATOM 0 HB3 MET A 145 -1.083 -6.970 -2.166 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.420 -4.525 -1.286 1.00 0.00 H new ATOM 0 HG3 MET A 145 -1.091 -4.226 -2.121 1.00 0.00 H new ATOM 0 HE1 MET A 145 -3.791 -5.779 -0.473 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.807 -6.032 -1.934 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.841 -7.272 -0.659 1.00 0.00 H new ATOM 1085 N THR A 146 1.332 -7.639 -4.376 1.00 0.00 N ATOM 1086 CA THR A 146 1.608 -8.696 -5.388 1.00 0.00 C ATOM 1087 C THR A 146 3.099 -8.697 -5.730 1.00 0.00 C ATOM 1088 O THR A 146 3.497 -9.062 -6.818 1.00 0.00 O ATOM 1089 CB THR A 146 0.793 -8.418 -6.654 1.00 0.00 C ATOM 1090 OG1 THR A 146 1.336 -9.159 -7.737 1.00 0.00 O ATOM 1091 CG2 THR A 146 0.844 -6.924 -6.978 1.00 0.00 C ATOM 0 H THR A 146 1.126 -6.716 -4.757 1.00 0.00 H new ATOM 0 HA THR A 146 1.327 -9.668 -4.983 1.00 0.00 H new ATOM 0 HB THR A 146 -0.243 -8.717 -6.493 1.00 0.00 H new ATOM 0 HG1 THR A 146 2.295 -8.973 -7.813 1.00 0.00 H new ATOM 0 HG21 THR A 146 0.264 -6.727 -7.879 1.00 0.00 H new ATOM 0 HG22 THR A 146 0.426 -6.357 -6.146 1.00 0.00 H new ATOM 0 HG23 THR A 146 1.879 -6.622 -7.140 1.00 0.00 H new