USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 417 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 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 111 LYS NZ :NH3+ -177:sc= 1.18 (180deg=1.06) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 135:sc= -0.985 USER MOD Single : A 131 MET CE :methyl -124:sc= -0.411 (180deg=-0.478) USER MOD Single : A 132 LYS NZ :NH3+ -158:sc= 0.627 (180deg=0.337) USER MOD Single : A 139 ASN : amide:sc= -0.131 K(o=-0.13,f=0.63) USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 89 -4.065 -12.375 -0.928 1.00 0.00 N ATOM 32 CA GLU A 89 -3.561 -11.585 0.244 1.00 0.00 C ATOM 33 C GLU A 89 -3.280 -10.064 -0.061 1.00 0.00 C ATOM 34 O GLU A 89 -3.860 -9.181 0.598 1.00 0.00 O ATOM 35 CB GLU A 89 -2.369 -12.319 0.934 1.00 0.00 C ATOM 36 CG GLU A 89 -1.203 -12.881 0.074 1.00 0.00 C ATOM 37 CD GLU A 89 0.045 -13.244 0.867 1.00 0.00 C ATOM 38 OE1 GLU A 89 0.120 -14.380 1.379 1.00 0.00 O ATOM 39 OE2 GLU A 89 0.959 -12.399 0.967 1.00 0.00 O ATOM 0 HA GLU A 89 -4.379 -11.542 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.936 -11.627 1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.785 -13.152 1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.553 -13.767 -0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.936 -12.142 -0.682 1.00 0.00 H new ATOM 46 N ILE A 90 -2.456 -9.773 -1.092 1.00 0.00 N ATOM 47 CA ILE A 90 -2.136 -8.382 -1.531 1.00 0.00 C ATOM 48 C ILE A 90 -3.416 -7.696 -2.108 1.00 0.00 C ATOM 49 O ILE A 90 -3.632 -6.537 -1.752 1.00 0.00 O ATOM 50 CB ILE A 90 -0.913 -8.336 -2.515 1.00 0.00 C ATOM 51 CG1 ILE A 90 0.465 -8.634 -1.863 1.00 0.00 C ATOM 52 CG2 ILE A 90 -0.785 -6.990 -3.296 1.00 0.00 C ATOM 53 CD1 ILE A 90 0.699 -9.990 -1.199 1.00 0.00 C ATOM 0 H ILE A 90 -1.990 -10.490 -1.648 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.820 -7.807 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.153 -9.145 -3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.226 -8.511 -2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.645 -7.865 -1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.082 -7.033 -3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.685 -6.827 -3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.663 -6.169 -2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.711 -10.028 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.018 -10.128 -0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.571 -10.783 -1.936 1.00 0.00 H new ATOM 65 N LEU A 91 -4.235 -8.337 -2.982 1.00 0.00 N ATOM 66 CA LEU A 91 -5.490 -7.715 -3.498 1.00 0.00 C ATOM 67 C LEU A 91 -6.433 -7.327 -2.319 1.00 0.00 C ATOM 68 O LEU A 91 -6.876 -6.182 -2.283 1.00 0.00 O ATOM 69 CB LEU A 91 -6.165 -8.555 -4.628 1.00 0.00 C ATOM 70 CG LEU A 91 -7.188 -9.693 -4.332 1.00 0.00 C ATOM 71 CD1 LEU A 91 -8.628 -9.191 -4.078 1.00 0.00 C ATOM 72 CD2 LEU A 91 -7.248 -10.706 -5.495 1.00 0.00 C ATOM 0 H LEU A 91 -4.055 -9.274 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.230 -6.782 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.670 -7.846 -5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.358 -9.005 -5.206 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.820 -10.160 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.280 -10.042 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.633 -8.521 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.987 -8.656 -4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.970 -11.488 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.552 -10.194 -6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.264 -11.152 -5.640 1.00 0.00 H new ATOM 84 N ARG A 92 -6.657 -8.214 -1.314 1.00 0.00 N ATOM 85 CA ARG A 92 -7.488 -7.890 -0.130 1.00 0.00 C ATOM 86 C ARG A 92 -6.905 -6.661 0.628 1.00 0.00 C ATOM 87 O ARG A 92 -7.617 -5.659 0.713 1.00 0.00 O ATOM 88 CB ARG A 92 -7.700 -9.126 0.804 1.00 0.00 C ATOM 89 CG ARG A 92 -9.167 -9.602 0.927 1.00 0.00 C ATOM 90 CD ARG A 92 -9.644 -10.453 -0.266 1.00 0.00 C ATOM 91 NE ARG A 92 -11.116 -10.637 -0.180 1.00 0.00 N ATOM 92 CZ ARG A 92 -11.862 -11.331 -1.040 1.00 0.00 C ATOM 93 NH1 ARG A 92 -11.388 -12.055 -2.024 1.00 0.00 N ATOM 94 NH2 ARG A 92 -13.154 -11.296 -0.892 1.00 0.00 N ATOM 0 H ARG A 92 -6.272 -9.159 -1.303 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.482 -7.617 -0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.094 -9.953 0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.328 -8.880 1.799 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.276 -10.183 1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.815 -8.731 1.023 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.381 -9.964 -1.204 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.144 -11.421 -0.260 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.597 -10.195 0.604 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.381 -12.116 -2.173 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.026 -12.558 -2.641 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.566 -10.749 -0.136 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.755 -11.815 -1.532 1.00 0.00 H new ATOM 108 N ALA A 93 -5.622 -6.674 1.064 1.00 0.00 N ATOM 109 CA ALA A 93 -5.054 -5.511 1.785 1.00 0.00 C ATOM 110 C ALA A 93 -4.886 -4.211 0.965 1.00 0.00 C ATOM 111 O ALA A 93 -5.485 -3.215 1.373 1.00 0.00 O ATOM 112 CB ALA A 93 -3.751 -5.938 2.490 1.00 0.00 C ATOM 0 H ALA A 93 -4.977 -7.454 0.934 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.804 -5.220 2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.329 -5.085 3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.966 -6.738 3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.036 -6.293 1.748 1.00 0.00 H new ATOM 118 N PHE A 94 -4.143 -4.193 -0.159 1.00 0.00 N ATOM 119 CA PHE A 94 -3.983 -2.958 -0.984 1.00 0.00 C ATOM 120 C PHE A 94 -5.298 -2.477 -1.627 1.00 0.00 C ATOM 121 O PHE A 94 -5.594 -1.282 -1.542 1.00 0.00 O ATOM 122 CB PHE A 94 -2.924 -3.112 -2.123 1.00 0.00 C ATOM 123 CG PHE A 94 -2.507 -1.817 -2.885 1.00 0.00 C ATOM 124 CD1 PHE A 94 -3.392 -1.228 -3.802 1.00 0.00 C ATOM 125 CD2 PHE A 94 -1.295 -1.172 -2.619 1.00 0.00 C ATOM 126 CE1 PHE A 94 -3.118 0.015 -4.355 1.00 0.00 C ATOM 127 CE2 PHE A 94 -0.977 0.030 -3.254 1.00 0.00 C ATOM 128 CZ PHE A 94 -1.903 0.635 -4.104 1.00 0.00 C ATOM 0 H PHE A 94 -3.645 -5.006 -0.522 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.640 -2.215 -0.264 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.026 -3.555 -1.692 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.312 -3.823 -2.852 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.297 -1.748 -4.080 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.599 -1.607 -1.917 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.852 0.500 -4.982 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.015 0.491 -3.087 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.674 1.584 -4.566 1.00 0.00 H new ATOM 138 N LYS A 95 -6.035 -3.374 -2.313 1.00 0.00 N ATOM 139 CA LYS A 95 -7.298 -2.968 -2.978 1.00 0.00 C ATOM 140 C LYS A 95 -8.402 -2.597 -1.895 1.00 0.00 C ATOM 141 O LYS A 95 -9.296 -1.830 -2.261 1.00 0.00 O ATOM 142 CB LYS A 95 -7.625 -3.954 -4.147 1.00 0.00 C ATOM 143 CG LYS A 95 -6.439 -4.302 -5.136 1.00 0.00 C ATOM 144 CD LYS A 95 -6.872 -5.210 -6.314 1.00 0.00 C ATOM 145 CE LYS A 95 -5.677 -5.912 -7.003 1.00 0.00 C ATOM 146 NZ LYS A 95 -6.106 -6.948 -7.981 1.00 0.00 N ATOM 0 H LYS A 95 -5.790 -4.358 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.224 -2.023 -3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.992 -4.885 -3.714 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.442 -3.530 -4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.023 -3.376 -5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.643 -4.796 -4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.568 -5.964 -5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.409 -4.611 -7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.068 -5.166 -7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.045 -6.374 -6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.267 -7.386 -8.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.665 -7.677 -7.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.686 -6.506 -8.722 1.00 0.00 H new ATOM 160 N VAL A 96 -8.362 -3.063 -0.595 1.00 0.00 N ATOM 161 CA VAL A 96 -9.254 -2.506 0.485 1.00 0.00 C ATOM 162 C VAL A 96 -8.741 -1.075 0.813 1.00 0.00 C ATOM 163 O VAL A 96 -9.553 -0.148 0.899 1.00 0.00 O ATOM 164 CB VAL A 96 -9.297 -3.306 1.845 1.00 0.00 C ATOM 165 CG1 VAL A 96 -9.729 -2.573 3.153 1.00 0.00 C ATOM 166 CG2 VAL A 96 -10.268 -4.441 1.668 1.00 0.00 C ATOM 0 H VAL A 96 -7.737 -3.804 -0.279 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.266 -2.556 0.082 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.251 -3.565 2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -9.701 -3.273 3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -9.046 -1.746 3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.742 -2.187 3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.325 -5.019 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.254 -4.042 1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.930 -5.086 0.857 1.00 0.00 H new ATOM 176 N PHE A 97 -7.410 -0.931 1.034 1.00 0.00 N ATOM 177 CA PHE A 97 -6.758 0.341 1.359 1.00 0.00 C ATOM 178 C PHE A 97 -7.129 1.545 0.422 1.00 0.00 C ATOM 179 O PHE A 97 -7.222 2.676 0.902 1.00 0.00 O ATOM 180 CB PHE A 97 -5.229 0.087 1.423 1.00 0.00 C ATOM 181 CG PHE A 97 -4.491 0.926 2.457 1.00 0.00 C ATOM 182 CD1 PHE A 97 -4.200 2.260 2.180 1.00 0.00 C ATOM 183 CD2 PHE A 97 -4.101 0.372 3.683 1.00 0.00 C ATOM 184 CE1 PHE A 97 -3.526 3.031 3.106 1.00 0.00 C ATOM 185 CE2 PHE A 97 -3.434 1.155 4.621 1.00 0.00 C ATOM 186 CZ PHE A 97 -3.156 2.487 4.334 1.00 0.00 C ATOM 0 H PHE A 97 -6.758 -1.714 0.988 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.137 0.670 2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.058 -0.967 1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.800 0.284 0.441 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.503 2.692 1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.318 -0.663 3.901 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.285 4.059 2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.134 0.730 5.567 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.652 3.101 5.065 1.00 0.00 H new ATOM 196 N ASP A 98 -7.352 1.272 -0.888 1.00 0.00 N ATOM 197 CA ASP A 98 -7.777 2.247 -1.923 1.00 0.00 C ATOM 198 C ASP A 98 -9.201 2.811 -1.550 1.00 0.00 C ATOM 199 O ASP A 98 -10.230 2.138 -1.700 1.00 0.00 O ATOM 200 CB ASP A 98 -7.651 1.465 -3.280 1.00 0.00 C ATOM 201 CG ASP A 98 -8.617 1.700 -4.442 1.00 0.00 C ATOM 202 OD1 ASP A 98 -9.074 2.857 -4.630 1.00 0.00 O ATOM 203 OD2 ASP A 98 -8.910 0.744 -5.158 1.00 0.00 O ATOM 0 H ASP A 98 -7.236 0.332 -1.266 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.170 3.149 -2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.648 1.656 -3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.703 0.404 -3.037 1.00 0.00 H new ATOM 208 N ALA A 99 -9.220 4.041 -1.005 1.00 0.00 N ATOM 209 CA ALA A 99 -10.467 4.732 -0.571 1.00 0.00 C ATOM 210 C ALA A 99 -11.409 5.201 -1.715 1.00 0.00 C ATOM 211 O ALA A 99 -12.626 5.030 -1.592 1.00 0.00 O ATOM 212 CB ALA A 99 -10.117 5.913 0.356 1.00 0.00 C ATOM 0 H ALA A 99 -8.375 4.591 -0.849 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.041 3.975 -0.037 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.033 6.414 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.588 5.542 1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -9.482 6.620 -0.179 1.00 0.00 H new ATOM 218 N ASN A 100 -10.865 5.787 -2.803 1.00 0.00 N ATOM 219 CA ASN A 100 -11.670 6.253 -3.966 1.00 0.00 C ATOM 220 C ASN A 100 -12.321 5.155 -4.873 1.00 0.00 C ATOM 221 O ASN A 100 -13.122 5.526 -5.737 1.00 0.00 O ATOM 222 CB ASN A 100 -10.831 7.257 -4.826 1.00 0.00 C ATOM 223 CG ASN A 100 -9.552 6.726 -5.561 1.00 0.00 C ATOM 224 OD1 ASN A 100 -9.245 5.535 -5.520 1.00 0.00 O ATOM 225 ND2 ASN A 100 -8.762 7.534 -6.274 1.00 0.00 N ATOM 0 H ASN A 100 -9.864 5.952 -2.906 1.00 0.00 H new ATOM 0 HA ASN A 100 -12.533 6.740 -3.512 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -11.494 7.682 -5.580 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -10.523 8.075 -4.174 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -7.946 7.155 -6.754 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.975 8.529 -6.338 1.00 0.00 H new ATOM 232 N GLY A 101 -12.023 3.847 -4.700 1.00 0.00 N ATOM 233 CA GLY A 101 -12.588 2.791 -5.581 1.00 0.00 C ATOM 234 C GLY A 101 -12.067 2.761 -7.049 1.00 0.00 C ATOM 235 O GLY A 101 -12.807 2.362 -7.951 1.00 0.00 O ATOM 0 H GLY A 101 -11.403 3.497 -3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.384 1.822 -5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.671 2.910 -5.605 1.00 0.00 H new ATOM 239 N ASP A 102 -10.817 3.199 -7.274 1.00 0.00 N ATOM 240 CA ASP A 102 -10.136 3.223 -8.584 1.00 0.00 C ATOM 241 C ASP A 102 -8.673 2.827 -8.326 1.00 0.00 C ATOM 242 O ASP A 102 -8.130 3.707 -7.662 1.00 0.00 O ATOM 243 CB ASP A 102 -10.169 4.629 -9.299 1.00 0.00 C ATOM 244 CG ASP A 102 -8.964 5.086 -10.200 1.00 0.00 C ATOM 245 OD1 ASP A 102 -7.770 5.029 -9.764 1.00 0.00 O ATOM 246 OD2 ASP A 102 -9.229 5.493 -11.351 1.00 0.00 O ATOM 0 H ASP A 102 -10.229 3.560 -6.522 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.657 2.538 -9.252 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -11.065 4.655 -9.919 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -10.297 5.384 -8.523 1.00 0.00 H new ATOM 251 N GLY A 103 -8.248 1.585 -8.089 1.00 0.00 N ATOM 252 CA GLY A 103 -6.804 1.223 -8.164 1.00 0.00 C ATOM 253 C GLY A 103 -5.615 1.902 -7.446 1.00 0.00 C ATOM 254 O GLY A 103 -4.625 1.234 -7.158 1.00 0.00 O ATOM 0 H GLY A 103 -8.864 0.810 -7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.757 0.176 -7.864 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.556 1.262 -9.225 1.00 0.00 H new ATOM 258 N VAL A 104 -5.704 3.210 -7.181 1.00 0.00 N ATOM 259 CA VAL A 104 -4.638 3.996 -6.523 1.00 0.00 C ATOM 260 C VAL A 104 -4.959 4.397 -5.047 1.00 0.00 C ATOM 261 O VAL A 104 -6.114 4.536 -4.629 1.00 0.00 O ATOM 262 CB VAL A 104 -4.290 5.222 -7.436 1.00 0.00 C ATOM 263 CG1 VAL A 104 -5.308 6.382 -7.382 1.00 0.00 C ATOM 264 CG2 VAL A 104 -2.815 5.593 -7.360 1.00 0.00 C ATOM 0 H VAL A 104 -6.526 3.765 -7.418 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.757 3.362 -6.419 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.425 4.893 -8.466 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.982 7.183 -8.046 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.287 6.022 -7.700 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.375 6.760 -6.362 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.621 6.447 -8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.557 5.851 -6.333 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.210 4.746 -7.684 1.00 0.00 H new ATOM 274 N ILE A 105 -3.858 4.615 -4.309 1.00 0.00 N ATOM 275 CA ILE A 105 -3.852 5.059 -2.886 1.00 0.00 C ATOM 276 C ILE A 105 -3.200 6.468 -2.802 1.00 0.00 C ATOM 277 O ILE A 105 -2.103 6.629 -3.332 1.00 0.00 O ATOM 278 CB ILE A 105 -3.071 4.117 -1.900 1.00 0.00 C ATOM 279 CG1 ILE A 105 -3.775 2.747 -1.762 1.00 0.00 C ATOM 280 CG2 ILE A 105 -2.799 4.706 -0.471 1.00 0.00 C ATOM 281 CD1 ILE A 105 -2.866 1.712 -1.110 1.00 0.00 C ATOM 0 H ILE A 105 -2.919 4.487 -4.686 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.896 5.049 -2.573 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.093 4.005 -2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.682 2.861 -1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.082 2.394 -2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.255 3.974 0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.205 5.616 -0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.747 4.937 0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.395 0.762 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.971 1.579 -1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.581 2.054 -0.115 1.00 0.00 H new ATOM 293 N ASP A 106 -3.779 7.433 -2.057 1.00 0.00 N ATOM 294 CA ASP A 106 -3.163 8.783 -1.860 1.00 0.00 C ATOM 295 C ASP A 106 -2.616 9.002 -0.398 1.00 0.00 C ATOM 296 O ASP A 106 -2.644 8.090 0.437 1.00 0.00 O ATOM 297 CB ASP A 106 -4.135 9.861 -2.422 1.00 0.00 C ATOM 298 CG ASP A 106 -5.326 10.303 -1.567 1.00 0.00 C ATOM 299 OD1 ASP A 106 -5.114 10.806 -0.445 1.00 0.00 O ATOM 300 OD2 ASP A 106 -6.479 10.151 -2.023 1.00 0.00 O ATOM 0 H ASP A 106 -4.672 7.313 -1.578 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.245 8.877 -2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.546 10.749 -2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.529 9.488 -3.368 1.00 0.00 H new ATOM 305 N PHE A 107 -2.048 10.194 -0.094 1.00 0.00 N ATOM 306 CA PHE A 107 -1.498 10.497 1.267 1.00 0.00 C ATOM 307 C PHE A 107 -2.596 10.767 2.337 1.00 0.00 C ATOM 308 O PHE A 107 -2.534 10.166 3.414 1.00 0.00 O ATOM 309 CB PHE A 107 -0.438 11.640 1.257 1.00 0.00 C ATOM 310 CG PHE A 107 0.507 11.609 2.487 1.00 0.00 C ATOM 311 CD1 PHE A 107 0.156 12.274 3.669 1.00 0.00 C ATOM 312 CD2 PHE A 107 1.666 10.824 2.467 1.00 0.00 C ATOM 313 CE1 PHE A 107 0.933 12.130 4.816 1.00 0.00 C ATOM 314 CE2 PHE A 107 2.441 10.679 3.616 1.00 0.00 C ATOM 315 CZ PHE A 107 2.071 11.328 4.790 1.00 0.00 C ATOM 0 H PHE A 107 -1.955 10.961 -0.760 1.00 0.00 H new ATOM 0 HA PHE A 107 -0.988 9.580 1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 107 0.158 11.566 0.347 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.950 12.602 1.225 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.722 12.902 3.691 1.00 0.00 H new ATOM 0 HD2 PHE A 107 1.962 10.327 1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.653 12.640 5.726 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.328 10.063 3.595 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.667 11.209 5.683 1.00 0.00 H new ATOM 325 N ASP A 108 -3.557 11.677 2.066 1.00 0.00 N ATOM 326 CA ASP A 108 -4.674 11.969 3.025 1.00 0.00 C ATOM 327 C ASP A 108 -5.609 10.729 3.278 1.00 0.00 C ATOM 328 O ASP A 108 -6.083 10.563 4.409 1.00 0.00 O ATOM 329 CB ASP A 108 -5.462 13.256 2.647 1.00 0.00 C ATOM 330 CG ASP A 108 -4.685 14.563 2.852 1.00 0.00 C ATOM 331 OD1 ASP A 108 -4.190 14.798 3.980 1.00 0.00 O ATOM 332 OD2 ASP A 108 -4.575 15.361 1.898 1.00 0.00 O ATOM 0 H ASP A 108 -3.593 12.222 1.205 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.200 12.176 3.984 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.764 13.188 1.602 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.375 13.295 3.240 1.00 0.00 H new ATOM 337 N GLU A 109 -5.852 9.840 2.287 1.00 0.00 N ATOM 338 CA GLU A 109 -6.632 8.587 2.491 1.00 0.00 C ATOM 339 C GLU A 109 -5.839 7.577 3.413 1.00 0.00 C ATOM 340 O GLU A 109 -6.452 6.978 4.305 1.00 0.00 O ATOM 341 CB GLU A 109 -7.092 8.089 1.104 1.00 0.00 C ATOM 342 CG GLU A 109 -6.107 7.338 0.212 1.00 0.00 C ATOM 343 CD GLU A 109 -6.208 5.822 0.259 1.00 0.00 C ATOM 344 OE1 GLU A 109 -5.960 5.223 1.326 1.00 0.00 O ATOM 345 OE2 GLU A 109 -6.515 5.226 -0.788 1.00 0.00 O ATOM 0 H GLU A 109 -5.519 9.965 1.331 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.549 8.739 3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -7.953 7.439 1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -7.443 8.956 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -6.255 7.663 -0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -5.095 7.626 0.495 1.00 0.00 H new ATOM 352 N PHE A 110 -4.489 7.435 3.232 1.00 0.00 N ATOM 353 CA PHE A 110 -3.595 6.649 4.131 1.00 0.00 C ATOM 354 C PHE A 110 -3.691 7.233 5.576 1.00 0.00 C ATOM 355 O PHE A 110 -3.904 6.442 6.497 1.00 0.00 O ATOM 356 CB PHE A 110 -2.147 6.663 3.522 1.00 0.00 C ATOM 357 CG PHE A 110 -1.181 5.482 3.765 1.00 0.00 C ATOM 358 CD1 PHE A 110 -0.884 5.021 5.050 1.00 0.00 C ATOM 359 CD2 PHE A 110 -0.577 4.849 2.665 1.00 0.00 C ATOM 360 CE1 PHE A 110 0.017 3.979 5.241 1.00 0.00 C ATOM 361 CE2 PHE A 110 0.310 3.793 2.856 1.00 0.00 C ATOM 362 CZ PHE A 110 0.616 3.370 4.144 1.00 0.00 C ATOM 0 H PHE A 110 -3.992 7.867 2.453 1.00 0.00 H new ATOM 0 HA PHE A 110 -3.895 5.604 4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -2.253 6.774 2.443 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.653 7.563 3.888 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.360 5.479 5.905 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -0.803 5.184 1.664 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.251 3.643 6.240 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.759 3.303 2.005 1.00 0.00 H new ATOM 0 HZ PHE A 110 1.321 2.566 4.293 1.00 0.00 H new ATOM 372 N LYS A 111 -3.614 8.585 5.754 1.00 0.00 N ATOM 373 CA LYS A 111 -3.801 9.290 7.058 1.00 0.00 C ATOM 374 C LYS A 111 -5.149 8.827 7.702 1.00 0.00 C ATOM 375 O LYS A 111 -5.091 8.162 8.735 1.00 0.00 O ATOM 376 CB LYS A 111 -3.636 10.816 6.789 1.00 0.00 C ATOM 377 CG LYS A 111 -3.721 11.778 8.006 1.00 0.00 C ATOM 378 CD LYS A 111 -2.447 12.586 8.354 1.00 0.00 C ATOM 379 CE LYS A 111 -1.960 13.591 7.289 1.00 0.00 C ATOM 380 NZ LYS A 111 -0.735 14.271 7.796 1.00 0.00 N ATOM 0 H LYS A 111 -3.417 9.224 4.984 1.00 0.00 H new ATOM 0 HA LYS A 111 -3.053 9.039 7.810 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.670 10.969 6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.400 11.115 6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.531 12.484 7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.000 11.192 8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.630 13.131 9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.640 11.882 8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -1.745 13.075 6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.739 14.324 7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -0.426 14.988 7.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -0.944 14.731 8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 0.022 13.570 7.929 1.00 0.00 H new ATOM 394 N PHE A 112 -6.308 9.065 7.055 1.00 0.00 N ATOM 395 CA PHE A 112 -7.654 8.611 7.528 1.00 0.00 C ATOM 396 C PHE A 112 -7.768 7.098 7.951 1.00 0.00 C ATOM 397 O PHE A 112 -8.315 6.794 9.013 1.00 0.00 O ATOM 398 CB PHE A 112 -8.637 8.983 6.367 1.00 0.00 C ATOM 399 CG PHE A 112 -10.064 8.400 6.407 1.00 0.00 C ATOM 400 CD1 PHE A 112 -11.022 8.925 7.278 1.00 0.00 C ATOM 401 CD2 PHE A 112 -10.401 7.315 5.585 1.00 0.00 C ATOM 402 CE1 PHE A 112 -12.309 8.391 7.309 1.00 0.00 C ATOM 403 CE2 PHE A 112 -11.684 6.779 5.625 1.00 0.00 C ATOM 404 CZ PHE A 112 -12.638 7.319 6.484 1.00 0.00 C ATOM 0 H PHE A 112 -6.348 9.583 6.177 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.891 9.111 8.467 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -8.722 10.069 6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.177 8.673 5.429 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -10.764 9.747 7.929 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -9.662 6.894 4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -13.051 8.809 7.973 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -11.940 5.944 4.990 1.00 0.00 H new ATOM 0 HZ PHE A 112 -13.635 6.905 6.510 1.00 0.00 H new ATOM 414 N ILE A 113 -7.268 6.187 7.100 1.00 0.00 N ATOM 415 CA ILE A 113 -7.318 4.704 7.305 1.00 0.00 C ATOM 416 C ILE A 113 -6.227 4.048 8.226 1.00 0.00 C ATOM 417 O ILE A 113 -6.361 2.887 8.624 1.00 0.00 O ATOM 418 CB ILE A 113 -7.411 4.099 5.848 1.00 0.00 C ATOM 419 CG1 ILE A 113 -8.565 3.070 5.743 1.00 0.00 C ATOM 420 CG2 ILE A 113 -6.108 3.562 5.229 1.00 0.00 C ATOM 421 CD1 ILE A 113 -9.029 2.714 4.321 1.00 0.00 C ATOM 0 H ILE A 113 -6.806 6.451 6.230 1.00 0.00 H new ATOM 0 HA ILE A 113 -8.185 4.458 7.918 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.632 4.966 5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -8.252 2.152 6.241 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -9.421 3.457 6.296 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -6.312 3.176 4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -5.377 4.368 5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.712 2.761 5.853 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -9.839 1.986 4.374 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.382 3.614 3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -8.195 2.289 3.762 1.00 0.00 H new ATOM 433 N MET A 114 -5.173 4.806 8.533 1.00 0.00 N ATOM 434 CA MET A 114 -4.016 4.412 9.376 1.00 0.00 C ATOM 435 C MET A 114 -4.273 3.817 10.786 1.00 0.00 C ATOM 436 O MET A 114 -3.678 2.797 11.143 1.00 0.00 O ATOM 437 CB MET A 114 -3.229 5.738 9.615 1.00 0.00 C ATOM 438 CG MET A 114 -1.817 5.557 10.171 1.00 0.00 C ATOM 439 SD MET A 114 -0.691 4.994 8.874 1.00 0.00 S ATOM 440 CE MET A 114 -0.306 3.301 9.368 1.00 0.00 C ATOM 0 H MET A 114 -5.088 5.762 8.188 1.00 0.00 H new ATOM 0 HA MET A 114 -3.529 3.604 8.830 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.166 6.281 8.672 1.00 0.00 H new ATOM 0 HB3 MET A 114 -3.798 6.362 10.304 1.00 0.00 H new ATOM 0 HG2 MET A 114 -1.460 6.499 10.586 1.00 0.00 H new ATOM 0 HG3 MET A 114 -1.831 4.834 10.987 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.378 2.857 8.644 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.162 3.307 10.353 1.00 0.00 H new ATOM 0 HE3 MET A 114 -1.224 2.715 9.406 1.00 0.00 H new ATOM 575 N THR A 123 -0.327 10.357 15.643 1.00 0.00 N ATOM 576 CA THR A 123 1.100 10.466 15.280 1.00 0.00 C ATOM 577 C THR A 123 1.201 10.343 13.738 1.00 0.00 C ATOM 578 O THR A 123 0.757 9.362 13.124 1.00 0.00 O ATOM 579 CB THR A 123 2.049 9.403 15.882 1.00 0.00 C ATOM 580 OG1 THR A 123 1.645 8.082 15.561 1.00 0.00 O ATOM 581 CG2 THR A 123 2.231 9.436 17.389 1.00 0.00 C ATOM 0 HA THR A 123 1.427 11.422 15.689 1.00 0.00 H new ATOM 0 HB THR A 123 2.999 9.675 15.422 1.00 0.00 H new ATOM 0 HG1 THR A 123 2.425 7.561 15.279 1.00 0.00 H new ATOM 0 HG21 THR A 123 2.917 8.644 17.690 1.00 0.00 H new ATOM 0 HG22 THR A 123 2.639 10.402 17.685 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.267 9.285 17.875 1.00 0.00 H new ATOM 589 N ASP A 124 1.807 11.370 13.141 1.00 0.00 N ATOM 590 CA ASP A 124 2.097 11.382 11.679 1.00 0.00 C ATOM 591 C ASP A 124 3.317 10.451 11.318 1.00 0.00 C ATOM 592 O ASP A 124 3.424 10.045 10.158 1.00 0.00 O ATOM 593 CB ASP A 124 2.253 12.846 11.163 1.00 0.00 C ATOM 594 CG ASP A 124 1.120 13.336 10.254 1.00 0.00 C ATOM 595 OD1 ASP A 124 0.900 12.744 9.174 1.00 0.00 O ATOM 596 OD2 ASP A 124 0.454 14.343 10.571 1.00 0.00 O ATOM 0 H ASP A 124 2.112 12.210 13.633 1.00 0.00 H new ATOM 0 HA ASP A 124 1.244 10.955 11.150 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.323 13.513 12.022 1.00 0.00 H new ATOM 0 HB3 ASP A 124 3.195 12.926 10.620 1.00 0.00 H new ATOM 601 N ALA A 125 4.216 10.094 12.278 1.00 0.00 N ATOM 602 CA ALA A 125 5.325 9.136 12.076 1.00 0.00 C ATOM 603 C ALA A 125 4.797 7.742 11.613 1.00 0.00 C ATOM 604 O ALA A 125 5.427 7.173 10.716 1.00 0.00 O ATOM 605 CB ALA A 125 6.124 9.041 13.386 1.00 0.00 C ATOM 0 H ALA A 125 4.184 10.473 13.225 1.00 0.00 H new ATOM 0 HA ALA A 125 5.979 9.490 11.279 1.00 0.00 H new ATOM 0 HB1 ALA A 125 6.948 8.339 13.259 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.521 10.023 13.642 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.471 8.693 14.186 1.00 0.00 H new ATOM 611 N GLU A 126 3.653 7.213 12.163 1.00 0.00 N ATOM 612 CA GLU A 126 3.059 5.931 11.674 1.00 0.00 C ATOM 613 C GLU A 126 2.791 5.974 10.112 1.00 0.00 C ATOM 614 O GLU A 126 3.301 5.139 9.346 1.00 0.00 O ATOM 615 CB GLU A 126 1.699 5.576 12.375 1.00 0.00 C ATOM 616 CG GLU A 126 1.510 5.444 13.905 1.00 0.00 C ATOM 617 CD GLU A 126 0.651 4.247 14.321 1.00 0.00 C ATOM 618 OE1 GLU A 126 1.140 3.095 14.314 1.00 0.00 O ATOM 619 OE2 GLU A 126 -0.555 4.430 14.599 1.00 0.00 O ATOM 0 H GLU A 126 3.138 7.648 12.928 1.00 0.00 H new ATOM 0 HA GLU A 126 3.798 5.168 11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 126 0.984 6.330 12.046 1.00 0.00 H new ATOM 0 HB3 GLU A 126 1.378 4.626 11.948 1.00 0.00 H new ATOM 0 HG2 GLU A 126 2.489 5.358 14.376 1.00 0.00 H new ATOM 0 HG3 GLU A 126 1.052 6.357 14.285 1.00 0.00 H new ATOM 626 N VAL A 127 2.043 7.024 9.684 1.00 0.00 N ATOM 627 CA VAL A 127 1.638 7.245 8.282 1.00 0.00 C ATOM 628 C VAL A 127 2.771 7.723 7.332 1.00 0.00 C ATOM 629 O VAL A 127 2.839 7.201 6.214 1.00 0.00 O ATOM 630 CB VAL A 127 0.319 8.112 8.296 1.00 0.00 C ATOM 631 CG1 VAL A 127 0.268 9.626 8.538 1.00 0.00 C ATOM 632 CG2 VAL A 127 -0.546 7.774 7.069 1.00 0.00 C ATOM 0 H VAL A 127 1.702 7.748 10.317 1.00 0.00 H new ATOM 0 HA VAL A 127 1.411 6.288 7.812 1.00 0.00 H new ATOM 0 HB VAL A 127 -0.042 7.784 9.271 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -0.766 9.967 8.494 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.683 9.852 9.520 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.851 10.137 7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -1.454 8.377 7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 127 0.014 7.988 6.159 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -0.812 6.717 7.091 1.00 0.00 H new ATOM 642 N GLU A 128 3.669 8.648 7.740 1.00 0.00 N ATOM 643 CA GLU A 128 4.808 9.084 6.888 1.00 0.00 C ATOM 644 C GLU A 128 5.839 7.923 6.731 1.00 0.00 C ATOM 645 O GLU A 128 6.223 7.649 5.593 1.00 0.00 O ATOM 646 CB GLU A 128 5.375 10.418 7.447 1.00 0.00 C ATOM 647 CG GLU A 128 6.359 11.186 6.520 1.00 0.00 C ATOM 648 CD GLU A 128 5.750 11.825 5.276 1.00 0.00 C ATOM 649 OE1 GLU A 128 5.185 12.934 5.385 1.00 0.00 O ATOM 650 OE2 GLU A 128 5.859 11.233 4.182 1.00 0.00 O ATOM 0 H GLU A 128 3.631 9.108 8.650 1.00 0.00 H new ATOM 0 HA GLU A 128 4.489 9.302 5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 128 4.538 11.076 7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.884 10.207 8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.842 11.968 7.106 1.00 0.00 H new ATOM 0 HG3 GLU A 128 7.141 10.496 6.203 1.00 0.00 H new ATOM 657 N GLU A 129 6.246 7.190 7.800 1.00 0.00 N ATOM 658 CA GLU A 129 7.166 6.028 7.662 1.00 0.00 C ATOM 659 C GLU A 129 6.539 4.882 6.798 1.00 0.00 C ATOM 660 O GLU A 129 7.218 4.434 5.864 1.00 0.00 O ATOM 661 CB GLU A 129 7.663 5.494 9.033 1.00 0.00 C ATOM 662 CG GLU A 129 8.604 6.442 9.825 1.00 0.00 C ATOM 663 CD GLU A 129 9.205 5.827 11.082 1.00 0.00 C ATOM 664 OE1 GLU A 129 10.276 5.193 10.990 1.00 0.00 O ATOM 665 OE2 GLU A 129 8.609 5.990 12.168 1.00 0.00 O ATOM 0 H GLU A 129 5.955 7.380 8.759 1.00 0.00 H new ATOM 0 HA GLU A 129 8.042 6.398 7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.794 5.274 9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 129 8.184 4.551 8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.414 6.762 9.169 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.047 7.337 10.104 1.00 0.00 H new ATOM 672 N ALA A 130 5.275 4.439 7.053 1.00 0.00 N ATOM 673 CA ALA A 130 4.655 3.378 6.214 1.00 0.00 C ATOM 674 C ALA A 130 4.425 3.778 4.719 1.00 0.00 C ATOM 675 O ALA A 130 4.782 3.002 3.817 1.00 0.00 O ATOM 676 CB ALA A 130 3.364 2.875 6.884 1.00 0.00 C ATOM 0 H ALA A 130 4.684 4.788 7.808 1.00 0.00 H new ATOM 0 HA ALA A 130 5.377 2.564 6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 130 2.913 2.098 6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 130 3.599 2.467 7.867 1.00 0.00 H new ATOM 0 HB3 ALA A 130 2.664 3.704 6.994 1.00 0.00 H new ATOM 682 N MET A 131 3.878 4.987 4.438 1.00 0.00 N ATOM 683 CA MET A 131 3.661 5.423 3.032 1.00 0.00 C ATOM 684 C MET A 131 4.969 5.818 2.322 1.00 0.00 C ATOM 685 O MET A 131 5.018 5.584 1.116 1.00 0.00 O ATOM 686 CB MET A 131 2.565 6.518 3.025 1.00 0.00 C ATOM 687 CG MET A 131 1.998 6.909 1.661 1.00 0.00 C ATOM 688 SD MET A 131 3.200 7.977 0.855 1.00 0.00 S ATOM 689 CE MET A 131 2.220 8.509 -0.538 1.00 0.00 C ATOM 0 H MET A 131 3.585 5.663 5.144 1.00 0.00 H new ATOM 0 HA MET A 131 3.302 4.586 2.433 1.00 0.00 H new ATOM 0 HB2 MET A 131 1.741 6.179 3.652 1.00 0.00 H new ATOM 0 HB3 MET A 131 2.975 7.413 3.493 1.00 0.00 H new ATOM 0 HG2 MET A 131 1.809 6.022 1.057 1.00 0.00 H new ATOM 0 HG3 MET A 131 1.045 7.425 1.777 1.00 0.00 H new ATOM 0 HE1 MET A 131 2.745 8.273 -1.464 1.00 0.00 H new ATOM 0 HE2 MET A 131 1.259 7.995 -0.524 1.00 0.00 H new ATOM 0 HE3 MET A 131 2.057 9.585 -0.478 1.00 0.00 H new ATOM 699 N LYS A 132 5.995 6.412 2.965 1.00 0.00 N ATOM 700 CA LYS A 132 7.290 6.640 2.281 1.00 0.00 C ATOM 701 C LYS A 132 8.060 5.290 2.086 1.00 0.00 C ATOM 702 O LYS A 132 8.758 5.203 1.070 1.00 0.00 O ATOM 703 CB LYS A 132 8.091 7.764 2.949 1.00 0.00 C ATOM 704 CG LYS A 132 7.790 9.193 2.406 1.00 0.00 C ATOM 705 CD LYS A 132 8.285 9.446 0.952 1.00 0.00 C ATOM 706 CE LYS A 132 7.209 9.295 -0.152 1.00 0.00 C ATOM 707 NZ LYS A 132 7.836 8.860 -1.429 1.00 0.00 N ATOM 0 H LYS A 132 5.959 6.736 3.931 1.00 0.00 H new ATOM 0 HA LYS A 132 7.107 7.009 1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 132 7.889 7.748 4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 132 9.154 7.559 2.822 1.00 0.00 H new ATOM 0 HG2 LYS A 132 6.714 9.364 2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 132 8.254 9.925 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 132 8.699 10.453 0.897 1.00 0.00 H new ATOM 0 HD3 LYS A 132 9.100 8.755 0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 132 6.459 8.568 0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 132 6.692 10.244 -0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 7.216 9.114 -2.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 8.756 9.332 -1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 7.975 7.830 -1.414 1.00 0.00 H new ATOM 721 N GLU A 133 7.985 4.249 2.965 1.00 0.00 N ATOM 722 CA GLU A 133 8.607 2.931 2.650 1.00 0.00 C ATOM 723 C GLU A 133 7.859 2.241 1.441 1.00 0.00 C ATOM 724 O GLU A 133 8.546 1.625 0.619 1.00 0.00 O ATOM 725 CB GLU A 133 8.787 2.051 3.922 1.00 0.00 C ATOM 726 CG GLU A 133 7.604 1.276 4.558 1.00 0.00 C ATOM 727 CD GLU A 133 7.058 0.048 3.838 1.00 0.00 C ATOM 728 OE1 GLU A 133 7.833 -0.895 3.574 1.00 0.00 O ATOM 729 OE2 GLU A 133 5.840 0.012 3.570 1.00 0.00 O ATOM 0 H GLU A 133 7.515 4.294 3.869 1.00 0.00 H new ATOM 0 HA GLU A 133 9.629 3.086 2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 133 9.556 1.315 3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 133 9.192 2.700 4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 133 7.913 0.963 5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 133 6.780 1.978 4.685 1.00 0.00 H new ATOM 736 N ALA A 134 6.505 2.389 1.303 1.00 0.00 N ATOM 737 CA ALA A 134 5.765 1.826 0.142 1.00 0.00 C ATOM 738 C ALA A 134 5.774 2.699 -1.167 1.00 0.00 C ATOM 739 O ALA A 134 5.746 2.115 -2.254 1.00 0.00 O ATOM 740 CB ALA A 134 4.373 1.384 0.596 1.00 0.00 C ATOM 0 H ALA A 134 5.918 2.886 1.973 1.00 0.00 H new ATOM 0 HA ALA A 134 6.319 0.949 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 134 3.828 0.971 -0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.468 0.624 1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.830 2.242 0.993 1.00 0.00 H new ATOM 746 N ASP A 135 5.836 4.066 -1.135 1.00 0.00 N ATOM 747 CA ASP A 135 5.956 4.925 -2.361 1.00 0.00 C ATOM 748 C ASP A 135 7.478 5.135 -2.627 1.00 0.00 C ATOM 749 O ASP A 135 8.151 5.930 -1.948 1.00 0.00 O ATOM 750 CB ASP A 135 5.292 6.347 -2.324 1.00 0.00 C ATOM 751 CG ASP A 135 5.505 7.299 -3.579 1.00 0.00 C ATOM 752 OD1 ASP A 135 5.782 6.837 -4.681 1.00 0.00 O ATOM 753 OD2 ASP A 135 5.309 8.518 -3.367 1.00 0.00 O ATOM 0 H ASP A 135 5.805 4.601 -0.267 1.00 0.00 H new ATOM 0 HA ASP A 135 5.410 4.384 -3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 135 4.219 6.212 -2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 135 5.665 6.868 -1.442 1.00 0.00 H new ATOM 758 N GLU A 136 7.993 4.449 -3.648 1.00 0.00 N ATOM 759 CA GLU A 136 9.411 4.607 -4.101 1.00 0.00 C ATOM 760 C GLU A 136 9.739 6.080 -4.628 1.00 0.00 C ATOM 761 O GLU A 136 10.852 6.572 -4.443 1.00 0.00 O ATOM 762 CB GLU A 136 9.730 3.467 -5.121 1.00 0.00 C ATOM 763 CG GLU A 136 9.413 2.018 -4.628 1.00 0.00 C ATOM 764 CD GLU A 136 10.045 0.862 -5.391 1.00 0.00 C ATOM 765 OE1 GLU A 136 11.211 0.513 -5.112 1.00 0.00 O ATOM 766 OE2 GLU A 136 9.355 0.227 -6.220 1.00 0.00 O ATOM 0 H GLU A 136 7.460 3.770 -4.192 1.00 0.00 H new ATOM 0 HA GLU A 136 10.084 4.499 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 136 9.167 3.653 -6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 136 10.787 3.521 -5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 136 9.722 1.942 -3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 136 8.331 1.884 -4.650 1.00 0.00 H new ATOM 773 N ASP A 137 8.728 6.740 -5.235 1.00 0.00 N ATOM 774 CA ASP A 137 8.639 8.119 -5.782 1.00 0.00 C ATOM 775 C ASP A 137 7.361 8.062 -6.706 1.00 0.00 C ATOM 776 O ASP A 137 7.568 8.746 -7.713 1.00 0.00 O ATOM 777 CB ASP A 137 9.916 8.824 -6.306 1.00 0.00 C ATOM 778 CG ASP A 137 9.696 10.340 -6.623 1.00 0.00 C ATOM 779 OD1 ASP A 137 8.527 10.831 -6.705 1.00 0.00 O ATOM 780 OD2 ASP A 137 10.717 11.045 -6.770 1.00 0.00 O ATOM 0 H ASP A 137 7.839 6.259 -5.372 1.00 0.00 H new ATOM 0 HA ASP A 137 8.533 8.852 -4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 137 10.708 8.726 -5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 137 10.259 8.317 -7.208 1.00 0.00 H new ATOM 785 N GLY A 138 6.740 7.025 -7.290 1.00 0.00 N ATOM 786 CA GLY A 138 5.326 7.144 -7.776 1.00 0.00 C ATOM 787 C GLY A 138 4.544 8.483 -7.934 1.00 0.00 C ATOM 788 O GLY A 138 3.332 8.371 -8.124 1.00 0.00 O ATOM 0 H GLY A 138 7.167 6.111 -7.442 1.00 0.00 H new ATOM 0 HA2 GLY A 138 5.306 6.668 -8.756 1.00 0.00 H new ATOM 0 HA3 GLY A 138 4.727 6.525 -7.108 1.00 0.00 H new ATOM 792 N ASN A 139 5.158 9.691 -7.786 1.00 0.00 N ATOM 793 CA ASN A 139 4.467 11.003 -7.758 1.00 0.00 C ATOM 794 C ASN A 139 3.788 11.261 -6.354 1.00 0.00 C ATOM 795 O ASN A 139 3.155 12.318 -6.244 1.00 0.00 O ATOM 796 CB ASN A 139 3.517 11.220 -8.998 1.00 0.00 C ATOM 797 CG ASN A 139 1.959 11.247 -8.776 1.00 0.00 C ATOM 798 OD1 ASN A 139 1.398 10.250 -8.315 1.00 0.00 O ATOM 799 ND2 ASN A 139 1.192 12.314 -9.010 1.00 0.00 N ATOM 0 H ASN A 139 6.169 9.776 -7.681 1.00 0.00 H new ATOM 0 HA ASN A 139 5.222 11.782 -7.869 1.00 0.00 H new ATOM 0 HB2 ASN A 139 3.798 12.164 -9.466 1.00 0.00 H new ATOM 0 HB3 ASN A 139 3.732 10.431 -9.718 1.00 0.00 H new ATOM 0 HD21 ASN A 139 0.193 12.278 -8.808 1.00 0.00 H new ATOM 0 HD22 ASN A 139 1.605 13.165 -9.391 1.00 0.00 H new ATOM 806 N GLY A 140 3.916 10.418 -5.279 1.00 0.00 N ATOM 807 CA GLY A 140 3.166 10.682 -4.030 1.00 0.00 C ATOM 808 C GLY A 140 1.819 9.915 -3.910 1.00 0.00 C ATOM 809 O GLY A 140 1.231 9.996 -2.832 1.00 0.00 O ATOM 0 H GLY A 140 4.508 9.588 -5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 140 3.796 10.418 -3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 140 2.968 11.751 -3.960 1.00 0.00 H new ATOM 813 N VAL A 141 1.259 9.266 -4.968 1.00 0.00 N ATOM 814 CA VAL A 141 0.019 8.442 -4.833 1.00 0.00 C ATOM 815 C VAL A 141 0.430 7.114 -5.530 1.00 0.00 C ATOM 816 O VAL A 141 0.830 7.035 -6.698 1.00 0.00 O ATOM 817 CB VAL A 141 -1.343 9.126 -5.234 1.00 0.00 C ATOM 818 CG1 VAL A 141 -1.473 10.542 -4.653 1.00 0.00 C ATOM 819 CG2 VAL A 141 -1.906 9.136 -6.660 1.00 0.00 C ATOM 0 H VAL A 141 1.639 9.295 -5.914 1.00 0.00 H new ATOM 0 HA VAL A 141 -0.280 8.271 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 141 -1.977 8.366 -4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -2.427 10.973 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -1.425 10.495 -3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -0.659 11.164 -5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -2.856 9.671 -6.672 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -1.201 9.633 -7.326 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -2.062 8.111 -6.997 1.00 0.00 H new ATOM 829 N ILE A 142 0.329 6.074 -4.693 1.00 0.00 N ATOM 830 CA ILE A 142 0.758 4.704 -4.991 1.00 0.00 C ATOM 831 C ILE A 142 -0.228 3.917 -5.873 1.00 0.00 C ATOM 832 O ILE A 142 -1.393 3.758 -5.514 1.00 0.00 O ATOM 833 CB ILE A 142 0.941 3.826 -3.683 1.00 0.00 C ATOM 834 CG1 ILE A 142 1.405 4.502 -2.342 1.00 0.00 C ATOM 835 CG2 ILE A 142 1.881 2.656 -4.007 1.00 0.00 C ATOM 836 CD1 ILE A 142 1.942 3.545 -1.269 1.00 0.00 C ATOM 0 H ILE A 142 -0.067 6.168 -3.758 1.00 0.00 H new ATOM 0 HA ILE A 142 1.701 4.855 -5.516 1.00 0.00 H new ATOM 0 HB ILE A 142 -0.084 3.539 -3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 142 2.181 5.232 -2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 142 0.563 5.053 -1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 142 2.018 2.042 -3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 142 1.447 2.050 -4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 142 2.846 3.044 -4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 142 2.234 4.115 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 142 1.166 2.829 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 142 2.809 3.011 -1.659 1.00 0.00 H new ATOM 848 N ASP A 143 0.281 3.381 -6.983 1.00 0.00 N ATOM 849 CA ASP A 143 -0.485 2.475 -7.852 1.00 0.00 C ATOM 850 C ASP A 143 -0.152 1.038 -7.352 1.00 0.00 C ATOM 851 O ASP A 143 0.916 0.747 -6.787 1.00 0.00 O ATOM 852 CB ASP A 143 -0.213 2.774 -9.339 1.00 0.00 C ATOM 853 CG ASP A 143 1.165 2.539 -9.973 1.00 0.00 C ATOM 854 OD1 ASP A 143 2.024 1.847 -9.381 1.00 0.00 O ATOM 855 OD2 ASP A 143 1.374 3.037 -11.099 1.00 0.00 O ATOM 0 H ASP A 143 1.231 3.559 -7.307 1.00 0.00 H new ATOM 0 HA ASP A 143 -1.565 2.608 -7.789 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -0.929 2.187 -9.915 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -0.459 3.824 -9.500 1.00 0.00 H new ATOM 860 N ILE A 144 -1.100 0.118 -7.552 1.00 0.00 N ATOM 861 CA ILE A 144 -0.940 -1.295 -7.109 1.00 0.00 C ATOM 862 C ILE A 144 0.395 -1.953 -7.644 1.00 0.00 C ATOM 863 O ILE A 144 1.010 -2.617 -6.809 1.00 0.00 O ATOM 864 CB ILE A 144 -2.168 -2.220 -7.495 1.00 0.00 C ATOM 865 CG1 ILE A 144 -3.568 -1.550 -7.627 1.00 0.00 C ATOM 866 CG2 ILE A 144 -2.251 -3.506 -6.618 1.00 0.00 C ATOM 867 CD1 ILE A 144 -4.700 -2.397 -8.220 1.00 0.00 C ATOM 0 H ILE A 144 -1.988 0.312 -8.015 1.00 0.00 H new ATOM 0 HA ILE A 144 -0.893 -1.232 -6.022 1.00 0.00 H new ATOM 0 HB ILE A 144 -1.916 -2.488 -8.521 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -3.878 -1.219 -6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -3.458 -0.657 -8.242 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -3.110 -4.102 -6.926 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -1.340 -4.091 -6.743 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -2.361 -3.226 -5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -5.616 -1.808 -8.254 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -4.431 -2.708 -9.230 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.858 -3.279 -7.599 1.00 0.00 H new ATOM 879 N PRO A 145 0.908 -1.801 -8.918 1.00 0.00 N ATOM 880 CA PRO A 145 2.205 -2.374 -9.364 1.00 0.00 C ATOM 881 C PRO A 145 3.461 -1.989 -8.525 1.00 0.00 C ATOM 882 O PRO A 145 4.400 -2.779 -8.550 1.00 0.00 O ATOM 883 CB PRO A 145 2.304 -1.986 -10.849 1.00 0.00 C ATOM 884 CG PRO A 145 0.847 -1.817 -11.282 1.00 0.00 C ATOM 885 CD PRO A 145 0.216 -1.166 -10.053 1.00 0.00 C ATOM 0 HA PRO A 145 2.208 -3.453 -9.209 1.00 0.00 H new ATOM 0 HB2 PRO A 145 2.871 -1.065 -10.984 1.00 0.00 H new ATOM 0 HB3 PRO A 145 2.807 -2.758 -11.431 1.00 0.00 H new ATOM 0 HG2 PRO A 145 0.756 -1.188 -12.167 1.00 0.00 H new ATOM 0 HG3 PRO A 145 0.380 -2.773 -11.521 1.00 0.00 H new ATOM 0 HD2 PRO A 145 0.361 -0.086 -10.055 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -0.859 -1.343 -10.015 1.00 0.00 H new ATOM 893 N GLU A 146 3.526 -0.830 -7.810 1.00 0.00 N ATOM 894 CA GLU A 146 4.678 -0.497 -6.909 1.00 0.00 C ATOM 895 C GLU A 146 4.730 -1.543 -5.743 1.00 0.00 C ATOM 896 O GLU A 146 5.713 -2.276 -5.649 1.00 0.00 O ATOM 897 CB GLU A 146 4.583 0.966 -6.384 1.00 0.00 C ATOM 898 CG GLU A 146 5.326 2.048 -7.214 1.00 0.00 C ATOM 899 CD GLU A 146 6.049 3.147 -6.433 1.00 0.00 C ATOM 900 OE1 GLU A 146 6.039 3.150 -5.183 1.00 0.00 O ATOM 901 OE2 GLU A 146 6.683 3.992 -7.093 1.00 0.00 O ATOM 0 H GLU A 146 2.802 -0.113 -7.837 1.00 0.00 H new ATOM 0 HA GLU A 146 5.610 -0.556 -7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 146 3.530 1.241 -6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 146 4.972 0.989 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 146 6.057 1.546 -7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 146 4.602 2.523 -7.876 1.00 0.00 H new ATOM 908 N PHE A 147 3.676 -1.606 -4.900 1.00 0.00 N ATOM 909 CA PHE A 147 3.486 -2.618 -3.819 1.00 0.00 C ATOM 910 C PHE A 147 3.552 -4.104 -4.322 1.00 0.00 C ATOM 911 O PHE A 147 4.242 -4.922 -3.698 1.00 0.00 O ATOM 912 CB PHE A 147 2.189 -2.215 -3.077 1.00 0.00 C ATOM 913 CG PHE A 147 1.778 -3.123 -1.911 1.00 0.00 C ATOM 914 CD1 PHE A 147 2.452 -3.108 -0.689 1.00 0.00 C ATOM 915 CD2 PHE A 147 0.706 -3.998 -2.095 1.00 0.00 C ATOM 916 CE1 PHE A 147 2.060 -3.978 0.329 1.00 0.00 C ATOM 917 CE2 PHE A 147 0.284 -4.825 -1.057 1.00 0.00 C ATOM 918 CZ PHE A 147 0.972 -4.827 0.148 1.00 0.00 C ATOM 0 H PHE A 147 2.907 -0.938 -4.948 1.00 0.00 H new ATOM 0 HA PHE A 147 4.319 -2.608 -3.116 1.00 0.00 H new ATOM 0 HB2 PHE A 147 2.310 -1.200 -2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 147 1.373 -2.190 -3.799 1.00 0.00 H new ATOM 0 HD1 PHE A 147 3.274 -2.425 -0.532 1.00 0.00 H new ATOM 0 HD2 PHE A 147 0.201 -4.034 -3.049 1.00 0.00 H new ATOM 0 HE1 PHE A 147 2.604 -3.993 1.262 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -0.577 -5.463 -1.190 1.00 0.00 H new ATOM 0 HZ PHE A 147 0.663 -5.487 0.945 1.00 0.00 H new ATOM 928 N MET A 148 2.848 -4.451 -5.429 1.00 0.00 N ATOM 929 CA MET A 148 2.941 -5.814 -6.048 1.00 0.00 C ATOM 930 C MET A 148 4.442 -6.113 -6.471 1.00 0.00 C ATOM 931 O MET A 148 4.880 -7.253 -6.269 1.00 0.00 O ATOM 932 CB MET A 148 1.909 -6.068 -7.207 1.00 0.00 C ATOM 933 CG MET A 148 0.564 -6.680 -6.792 1.00 0.00 C ATOM 934 SD MET A 148 0.423 -8.377 -7.407 1.00 0.00 S ATOM 935 CE MET A 148 -0.169 -9.205 -5.927 1.00 0.00 C ATOM 0 H MET A 148 2.213 -3.817 -5.914 1.00 0.00 H new ATOM 0 HA MET A 148 2.648 -6.536 -5.285 1.00 0.00 H new ATOM 0 HB2 MET A 148 1.714 -5.119 -7.707 1.00 0.00 H new ATOM 0 HB3 MET A 148 2.373 -6.726 -7.942 1.00 0.00 H new ATOM 0 HG2 MET A 148 0.474 -6.672 -5.706 1.00 0.00 H new ATOM 0 HG3 MET A 148 -0.254 -6.076 -7.184 1.00 0.00 H new ATOM 0 HE1 MET A 148 -0.309 -10.266 -6.135 1.00 0.00 H new ATOM 0 HE2 MET A 148 0.561 -9.085 -5.126 1.00 0.00 H new ATOM 0 HE3 MET A 148 -1.119 -8.767 -5.620 1.00 0.00 H new ATOM 945 N ASP A 149 5.235 -5.136 -7.013 1.00 0.00 N ATOM 946 CA ASP A 149 6.691 -5.337 -7.296 1.00 0.00 C ATOM 947 C ASP A 149 7.486 -5.500 -5.949 1.00 0.00 C ATOM 948 O ASP A 149 8.241 -6.467 -5.799 1.00 0.00 O ATOM 949 CB ASP A 149 7.166 -4.153 -8.195 1.00 0.00 C ATOM 950 CG ASP A 149 8.532 -4.256 -8.854 1.00 0.00 C ATOM 951 OD1 ASP A 149 8.740 -5.104 -9.745 1.00 0.00 O ATOM 952 OD2 ASP A 149 9.421 -3.467 -8.472 1.00 0.00 O ATOM 0 H ASP A 149 4.891 -4.208 -7.260 1.00 0.00 H new ATOM 0 HA ASP A 149 6.881 -6.259 -7.845 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.426 -4.015 -8.983 1.00 0.00 H new ATOM 0 HB3 ASP A 149 7.157 -3.248 -7.587 1.00 0.00 H new ATOM 957 N LEU A 150 7.226 -4.593 -4.971 1.00 0.00 N ATOM 958 CA LEU A 150 7.785 -4.560 -3.587 1.00 0.00 C ATOM 959 C LEU A 150 7.763 -5.960 -2.909 1.00 0.00 C ATOM 960 O LEU A 150 8.772 -6.333 -2.307 1.00 0.00 O ATOM 961 CB LEU A 150 6.958 -3.518 -2.747 1.00 0.00 C ATOM 962 CG LEU A 150 7.644 -2.647 -1.647 1.00 0.00 C ATOM 963 CD1 LEU A 150 7.619 -1.136 -1.996 1.00 0.00 C ATOM 964 CD2 LEU A 150 6.939 -2.784 -0.279 1.00 0.00 C ATOM 0 H LEU A 150 6.583 -3.818 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 150 8.832 -4.262 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 150 6.496 -2.831 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 150 6.151 -4.067 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 150 8.669 -3.015 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 150 8.107 -0.571 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 150 8.146 -0.971 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 150 6.586 -0.803 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 150 7.448 -2.162 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 150 5.902 -2.462 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 150 6.969 -3.825 0.043 1.00 0.00 H new ATOM 976 N ILE A 151 6.631 -6.715 -3.027 1.00 0.00 N ATOM 977 CA ILE A 151 6.524 -8.071 -2.433 1.00 0.00 C ATOM 978 C ILE A 151 6.919 -9.213 -3.400 1.00 0.00 C ATOM 979 O ILE A 151 7.788 -10.006 -3.007 1.00 0.00 O ATOM 980 CB ILE A 151 5.113 -8.287 -1.753 1.00 0.00 C ATOM 981 CG1 ILE A 151 4.828 -7.202 -0.664 1.00 0.00 C ATOM 982 CG2 ILE A 151 4.952 -9.714 -1.141 1.00 0.00 C ATOM 983 CD1 ILE A 151 3.483 -7.288 0.061 1.00 0.00 C ATOM 0 H ILE A 151 5.794 -6.408 -3.522 1.00 0.00 H new ATOM 0 HA ILE A 151 7.274 -8.123 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 151 4.377 -8.186 -2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 151 5.620 -7.254 0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 151 4.898 -6.222 -1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 151 3.965 -9.806 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 151 5.062 -10.461 -1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 151 5.717 -9.872 -0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 151 3.410 -6.480 0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 151 2.673 -7.198 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 151 3.407 -8.247 0.574 1.00 0.00 H new ATOM 995 N LYS A 152 6.310 -9.352 -4.591 1.00 0.00 N ATOM 996 CA LYS A 152 6.636 -10.488 -5.486 1.00 0.00 C ATOM 997 C LYS A 152 7.769 -10.306 -6.520 1.00 0.00 C ATOM 998 O LYS A 152 8.498 -11.284 -6.726 1.00 0.00 O ATOM 999 CB LYS A 152 5.337 -10.992 -6.193 1.00 0.00 C ATOM 1000 CG LYS A 152 4.382 -11.812 -5.288 1.00 0.00 C ATOM 1001 CD LYS A 152 3.407 -12.741 -6.042 1.00 0.00 C ATOM 1002 CE LYS A 152 2.166 -12.055 -6.642 1.00 0.00 C ATOM 1003 NZ LYS A 152 1.175 -13.095 -7.028 1.00 0.00 N ATOM 0 H LYS A 152 5.605 -8.711 -4.954 1.00 0.00 H new ATOM 0 HA LYS A 152 7.055 -11.228 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 152 4.795 -10.131 -6.583 1.00 0.00 H new ATOM 0 HB3 LYS A 152 5.620 -11.605 -7.049 1.00 0.00 H new ATOM 0 HG2 LYS A 152 4.981 -12.415 -4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 152 3.802 -11.121 -4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 152 3.952 -13.234 -6.847 1.00 0.00 H new ATOM 0 HD3 LYS A 152 3.074 -13.521 -5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 152 1.728 -11.369 -5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 152 2.448 -11.462 -7.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 0.333 -12.639 -7.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 1.597 -13.733 -7.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 0.900 -13.642 -6.187 1.00 0.00 H new