USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 MET CE :methyl -169:sc= 0 (180deg=-0.164) USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 119:sc= 1.07 USER MOD Single : A 45 TYR OH : rot 50:sc= 0.215 USER MOD Single : A 47 LYS NZ :NH3+ 137:sc= 0.224 (180deg=-0.179) USER MOD Single : A 53 MET CE :methyl 150:sc=-0.00101 (180deg=-0.932) USER MOD Single : A 58 GLN : amide:sc= 0.0165 K(o=0.016,f=-0.54) USER MOD Single : A 65 MET CE :methyl -169:sc= -0.0128 (180deg=-0.172) USER MOD Single : A 70 SER OG : rot -85:sc= 1.59 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 93:sc= 0.7 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 73:sc= 1.22 USER MOD Single : A 107 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.4!) USER MOD Single : A 112 GLN : amide:sc= 1.92 K(o=1.9,f=-3.8!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN :FLIP amide:sc= -0.726 F(o=-1.3,f=-0.73) USER MOD Single : A 120 HIS : no HE2:sc= -2.23 K(o=-2.2,f=-5.3!) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 36 3.237 -10.466 2.088 1.00 0.00 N ATOM 101 CA LEU A 36 2.340 -10.658 0.977 1.00 0.00 C ATOM 102 C LEU A 36 1.641 -9.373 0.532 1.00 0.00 C ATOM 103 O LEU A 36 1.954 -8.284 1.014 1.00 0.00 O ATOM 104 CB LEU A 36 1.394 -11.778 1.401 1.00 0.00 C ATOM 105 CG LEU A 36 0.127 -11.368 2.178 1.00 0.00 C ATOM 106 CD1 LEU A 36 -1.130 -11.601 1.332 1.00 0.00 C ATOM 107 CD2 LEU A 36 0.050 -12.164 3.478 1.00 0.00 C ATOM 0 HA LEU A 36 2.881 -10.943 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.083 -12.316 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.956 -12.481 2.016 1.00 0.00 H new ATOM 0 HG LEU A 36 0.182 -10.304 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.011 -11.305 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.070 -11.007 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.204 -12.657 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.845 -11.875 4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.009 -13.229 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.932 -11.957 4.084 1.00 0.00 H new ATOM 119 N PHE A 37 0.709 -9.503 -0.413 1.00 0.00 N ATOM 120 CA PHE A 37 0.179 -8.414 -1.223 1.00 0.00 C ATOM 121 C PHE A 37 -1.319 -8.598 -1.418 1.00 0.00 C ATOM 122 O PHE A 37 -1.749 -9.619 -1.961 1.00 0.00 O ATOM 123 CB PHE A 37 0.874 -8.384 -2.587 1.00 0.00 C ATOM 124 CG PHE A 37 0.591 -7.114 -3.363 1.00 0.00 C ATOM 125 CD1 PHE A 37 -0.583 -6.952 -4.127 1.00 0.00 C ATOM 126 CD2 PHE A 37 1.524 -6.069 -3.305 1.00 0.00 C ATOM 127 CE1 PHE A 37 -0.776 -5.775 -4.872 1.00 0.00 C ATOM 128 CE2 PHE A 37 1.336 -4.898 -4.050 1.00 0.00 C ATOM 129 CZ PHE A 37 0.209 -4.778 -4.876 1.00 0.00 C ATOM 0 H PHE A 37 0.289 -10.404 -0.641 1.00 0.00 H new ATOM 0 HA PHE A 37 0.364 -7.471 -0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.950 -8.484 -2.444 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.549 -9.243 -3.174 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.332 -7.730 -4.140 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.398 -6.168 -2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.684 -5.639 -5.441 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.054 -4.093 -3.989 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.100 -3.915 -5.517 1.00 0.00 H new ATOM 139 N TYR A 38 -2.113 -7.621 -0.997 1.00 0.00 N ATOM 140 CA TYR A 38 -3.561 -7.561 -1.145 1.00 0.00 C ATOM 141 C TYR A 38 -3.921 -6.467 -2.152 1.00 0.00 C ATOM 142 O TYR A 38 -3.047 -5.801 -2.700 1.00 0.00 O ATOM 143 CB TYR A 38 -4.189 -7.284 0.225 1.00 0.00 C ATOM 144 CG TYR A 38 -4.097 -8.420 1.220 1.00 0.00 C ATOM 145 CD1 TYR A 38 -2.930 -8.558 1.995 1.00 0.00 C ATOM 146 CD2 TYR A 38 -5.173 -9.317 1.397 1.00 0.00 C ATOM 147 CE1 TYR A 38 -2.850 -9.543 2.991 1.00 0.00 C ATOM 148 CE2 TYR A 38 -5.058 -10.359 2.328 1.00 0.00 C ATOM 149 CZ TYR A 38 -3.910 -10.474 3.138 1.00 0.00 C ATOM 150 OH TYR A 38 -3.831 -11.528 3.990 1.00 0.00 O ATOM 0 H TYR A 38 -1.741 -6.802 -0.515 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.948 -8.509 -1.519 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.708 -6.406 0.656 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.240 -7.034 0.081 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.090 -7.901 1.822 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.078 -9.201 0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.988 -9.592 3.640 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.856 -11.080 2.425 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.661 -12.047 3.946 1.00 0.00 H new ATOM 160 N THR A 39 -5.205 -6.270 -2.401 1.00 0.00 N ATOM 161 CA THR A 39 -5.757 -5.226 -3.251 1.00 0.00 C ATOM 162 C THR A 39 -7.130 -4.830 -2.655 1.00 0.00 C ATOM 163 O THR A 39 -7.654 -5.600 -1.836 1.00 0.00 O ATOM 164 CB THR A 39 -5.852 -5.766 -4.694 1.00 0.00 C ATOM 165 OG1 THR A 39 -6.369 -7.082 -4.669 1.00 0.00 O ATOM 166 CG2 THR A 39 -4.521 -5.916 -5.439 1.00 0.00 C ATOM 0 H THR A 39 -5.928 -6.864 -1.995 1.00 0.00 H new ATOM 0 HA THR A 39 -5.132 -4.334 -3.289 1.00 0.00 H new ATOM 0 HB THR A 39 -6.468 -5.025 -5.203 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.212 -7.112 -5.168 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.707 -6.302 -6.441 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.032 -4.944 -5.509 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.877 -6.608 -4.897 1.00 0.00 H new ATOM 174 N PRO A 40 -7.733 -3.669 -2.988 1.00 0.00 N ATOM 175 CA PRO A 40 -8.982 -3.191 -2.398 1.00 0.00 C ATOM 176 C PRO A 40 -10.169 -3.913 -3.049 1.00 0.00 C ATOM 177 O PRO A 40 -11.005 -3.353 -3.746 1.00 0.00 O ATOM 178 CB PRO A 40 -9.005 -1.693 -2.650 1.00 0.00 C ATOM 179 CG PRO A 40 -8.312 -1.581 -3.992 1.00 0.00 C ATOM 180 CD PRO A 40 -7.253 -2.679 -3.935 1.00 0.00 C ATOM 0 HA PRO A 40 -9.053 -3.394 -1.329 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.022 -1.302 -2.683 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.477 -1.142 -1.872 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.007 -1.735 -4.817 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.864 -0.597 -4.132 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.103 -3.124 -4.919 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.292 -2.274 -3.619 1.00 0.00 H new ATOM 188 N GLY A 41 -10.230 -5.201 -2.794 1.00 0.00 N ATOM 189 CA GLY A 41 -11.237 -6.130 -3.231 1.00 0.00 C ATOM 190 C GLY A 41 -10.988 -7.378 -2.428 1.00 0.00 C ATOM 191 O GLY A 41 -11.791 -7.829 -1.618 1.00 0.00 O ATOM 0 H GLY A 41 -9.515 -5.659 -2.228 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.239 -5.739 -3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.157 -6.326 -4.300 1.00 0.00 H new ATOM 195 N GLU A 42 -9.744 -7.802 -2.490 1.00 0.00 N ATOM 196 CA GLU A 42 -9.232 -8.986 -1.859 1.00 0.00 C ATOM 197 C GLU A 42 -9.045 -8.780 -0.354 1.00 0.00 C ATOM 198 O GLU A 42 -8.613 -9.711 0.319 1.00 0.00 O ATOM 199 CB GLU A 42 -7.900 -9.283 -2.544 1.00 0.00 C ATOM 200 CG GLU A 42 -8.001 -9.801 -3.983 1.00 0.00 C ATOM 201 CD GLU A 42 -8.996 -9.117 -4.945 1.00 0.00 C ATOM 202 OE1 GLU A 42 -10.173 -9.522 -4.988 1.00 0.00 O ATOM 203 OE2 GLU A 42 -8.593 -8.193 -5.687 1.00 0.00 O ATOM 0 H GLU A 42 -9.028 -7.297 -3.013 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.927 -9.819 -1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.301 -8.373 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.361 -10.019 -1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.009 -9.734 -4.430 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.259 -10.859 -3.937 1.00 0.00 H new ATOM 210 N ILE A 43 -9.328 -7.582 0.177 1.00 0.00 N ATOM 211 CA ILE A 43 -9.366 -7.362 1.618 1.00 0.00 C ATOM 212 C ILE A 43 -10.813 -7.541 2.092 1.00 0.00 C ATOM 213 O ILE A 43 -11.044 -7.952 3.226 1.00 0.00 O ATOM 214 CB ILE A 43 -8.721 -5.992 1.968 1.00 0.00 C ATOM 215 CG1 ILE A 43 -7.205 -6.033 1.630 1.00 0.00 C ATOM 216 CG2 ILE A 43 -8.959 -5.622 3.448 1.00 0.00 C ATOM 217 CD1 ILE A 43 -6.290 -5.036 2.345 1.00 0.00 C ATOM 0 H ILE A 43 -9.534 -6.751 -0.378 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.767 -8.094 2.159 1.00 0.00 H new ATOM 0 HB ILE A 43 -9.194 -5.215 1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.840 -7.037 1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.096 -5.878 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.496 -4.659 3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.030 -5.560 3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.519 -6.386 4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.263 -5.181 2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.607 -4.019 2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.347 -5.197 3.422 1.00 0.00 H new ATOM 229 N LEU A 44 -11.801 -7.225 1.250 1.00 0.00 N ATOM 230 CA LEU A 44 -13.189 -7.122 1.630 1.00 0.00 C ATOM 231 C LEU A 44 -13.951 -8.401 1.296 1.00 0.00 C ATOM 232 O LEU A 44 -14.721 -8.889 2.117 1.00 0.00 O ATOM 233 CB LEU A 44 -13.800 -5.923 0.906 1.00 0.00 C ATOM 234 CG LEU A 44 -12.918 -4.666 0.757 1.00 0.00 C ATOM 235 CD1 LEU A 44 -12.524 -4.049 2.081 1.00 0.00 C ATOM 236 CD2 LEU A 44 -11.797 -4.598 -0.258 1.00 0.00 C ATOM 0 H LEU A 44 -11.640 -7.031 0.262 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.260 -6.981 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -14.099 -6.247 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.710 -5.637 1.434 1.00 0.00 H new ATOM 0 HG LEU A 44 -13.652 -4.047 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.905 -3.170 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.421 -3.757 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.962 -4.775 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.307 -3.627 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.072 -5.385 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.205 -4.733 -1.260 1.00 0.00 H new ATOM 248 N TYR A 45 -13.774 -8.927 0.086 1.00 0.00 N ATOM 249 CA TYR A 45 -14.535 -10.042 -0.464 1.00 0.00 C ATOM 250 C TYR A 45 -13.923 -11.372 -0.001 1.00 0.00 C ATOM 251 O TYR A 45 -14.655 -12.314 0.301 1.00 0.00 O ATOM 252 CB TYR A 45 -14.569 -9.941 -2.007 1.00 0.00 C ATOM 253 CG TYR A 45 -15.356 -8.768 -2.599 1.00 0.00 C ATOM 254 CD1 TYR A 45 -14.950 -7.437 -2.383 1.00 0.00 C ATOM 255 CD2 TYR A 45 -16.503 -8.998 -3.386 1.00 0.00 C ATOM 256 CE1 TYR A 45 -15.690 -6.358 -2.890 1.00 0.00 C ATOM 257 CE2 TYR A 45 -17.241 -7.922 -3.922 1.00 0.00 C ATOM 258 CZ TYR A 45 -16.840 -6.592 -3.670 1.00 0.00 C ATOM 259 OH TYR A 45 -17.609 -5.532 -4.042 1.00 0.00 O ATOM 0 H TYR A 45 -13.069 -8.573 -0.561 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.562 -10.001 -0.100 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.542 -9.879 -2.367 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -14.989 -10.867 -2.400 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.052 -7.243 -1.816 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.821 -10.012 -3.581 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.377 -5.345 -2.682 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -18.115 -8.116 -4.526 1.00 0.00 H new ATOM 0 HH TYR A 45 -17.040 -4.835 -4.431 1.00 0.00 H new ATOM 269 N GLY A 46 -12.593 -11.444 0.106 1.00 0.00 N ATOM 270 CA GLY A 46 -11.837 -12.676 0.283 1.00 0.00 C ATOM 271 C GLY A 46 -10.615 -12.614 -0.621 1.00 0.00 C ATOM 272 O GLY A 46 -10.744 -12.269 -1.797 1.00 0.00 O ATOM 0 H GLY A 46 -11.998 -10.616 0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.535 -12.791 1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.453 -13.540 0.032 1.00 0.00 H new ATOM 276 N LYS A 47 -9.423 -12.958 -0.126 1.00 0.00 N ATOM 277 CA LYS A 47 -8.234 -12.949 -0.975 1.00 0.00 C ATOM 278 C LYS A 47 -8.397 -13.940 -2.102 1.00 0.00 C ATOM 279 O LYS A 47 -8.688 -15.101 -1.831 1.00 0.00 O ATOM 280 CB LYS A 47 -6.986 -13.278 -0.166 1.00 0.00 C ATOM 281 CG LYS A 47 -5.711 -13.149 -1.006 1.00 0.00 C ATOM 282 CD LYS A 47 -5.045 -11.828 -0.688 1.00 0.00 C ATOM 283 CE LYS A 47 -3.852 -11.566 -1.581 1.00 0.00 C ATOM 284 NZ LYS A 47 -4.178 -10.925 -2.877 1.00 0.00 N ATOM 0 H LYS A 47 -9.259 -13.241 0.840 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.117 -11.948 -1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.924 -12.610 0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.063 -14.293 0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.033 -13.974 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.952 -13.204 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.768 -11.020 -0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.726 -11.824 0.354 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.146 -10.932 -1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.346 -12.512 -1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.483 -10.178 -3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.150 -11.638 -3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.130 -10.509 -2.829 1.00 0.00 H new ATOM 385 N MET A 53 -8.053 -13.820 4.907 1.00 0.00 N ATOM 386 CA MET A 53 -8.161 -12.390 5.175 1.00 0.00 C ATOM 387 C MET A 53 -6.818 -11.897 5.721 1.00 0.00 C ATOM 388 O MET A 53 -6.033 -12.715 6.202 1.00 0.00 O ATOM 389 CB MET A 53 -9.303 -12.176 6.179 1.00 0.00 C ATOM 390 CG MET A 53 -10.650 -12.184 5.444 1.00 0.00 C ATOM 391 SD MET A 53 -11.200 -10.526 4.990 1.00 0.00 S ATOM 392 CE MET A 53 -12.028 -10.894 3.423 1.00 0.00 C ATOM 0 HA MET A 53 -8.388 -11.823 4.272 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.286 -12.961 6.935 1.00 0.00 H new ATOM 0 HB3 MET A 53 -9.168 -11.228 6.700 1.00 0.00 H new ATOM 0 HG2 MET A 53 -10.566 -12.794 4.545 1.00 0.00 H new ATOM 0 HG3 MET A 53 -11.403 -12.652 6.078 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.840 -10.185 3.265 1.00 0.00 H new ATOM 0 HE2 MET A 53 -11.312 -10.813 2.605 1.00 0.00 H new ATOM 0 HE3 MET A 53 -12.431 -11.906 3.453 1.00 0.00 H new ATOM 402 N PRO A 54 -6.519 -10.588 5.680 1.00 0.00 N ATOM 403 CA PRO A 54 -5.442 -10.021 6.478 1.00 0.00 C ATOM 404 C PRO A 54 -5.868 -9.925 7.945 1.00 0.00 C ATOM 405 O PRO A 54 -7.033 -9.651 8.250 1.00 0.00 O ATOM 406 CB PRO A 54 -5.188 -8.636 5.886 1.00 0.00 C ATOM 407 CG PRO A 54 -6.556 -8.233 5.332 1.00 0.00 C ATOM 408 CD PRO A 54 -7.190 -9.555 4.907 1.00 0.00 C ATOM 0 HA PRO A 54 -4.541 -10.634 6.454 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.838 -7.934 6.642 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.430 -8.666 5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.158 -7.727 6.086 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.459 -7.548 4.489 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.262 -9.555 5.104 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.062 -9.723 3.838 1.00 0.00 H new ATOM 416 N GLU A 55 -4.903 -10.057 8.847 1.00 0.00 N ATOM 417 CA GLU A 55 -5.079 -9.824 10.268 1.00 0.00 C ATOM 418 C GLU A 55 -5.033 -8.314 10.493 1.00 0.00 C ATOM 419 O GLU A 55 -4.168 -7.632 9.942 1.00 0.00 O ATOM 420 CB GLU A 55 -3.928 -10.526 11.016 1.00 0.00 C ATOM 421 CG GLU A 55 -4.445 -11.478 12.096 1.00 0.00 C ATOM 422 CD GLU A 55 -3.379 -12.472 12.555 1.00 0.00 C ATOM 423 OE1 GLU A 55 -2.216 -12.069 12.776 1.00 0.00 O ATOM 424 OE2 GLU A 55 -3.706 -13.665 12.755 1.00 0.00 O ATOM 0 H GLU A 55 -3.954 -10.336 8.600 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.027 -10.218 10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.318 -11.082 10.304 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.281 -9.776 11.472 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.790 -10.899 12.952 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.307 -12.025 11.713 1.00 0.00 H new ATOM 431 N VAL A 56 -5.917 -7.787 11.336 1.00 0.00 N ATOM 432 CA VAL A 56 -5.895 -6.387 11.763 1.00 0.00 C ATOM 433 C VAL A 56 -4.655 -6.087 12.617 1.00 0.00 C ATOM 434 O VAL A 56 -4.367 -4.936 12.924 1.00 0.00 O ATOM 435 CB VAL A 56 -7.236 -6.046 12.459 1.00 0.00 C ATOM 436 CG1 VAL A 56 -7.298 -4.627 13.031 1.00 0.00 C ATOM 437 CG2 VAL A 56 -8.394 -6.198 11.462 1.00 0.00 C ATOM 0 H VAL A 56 -6.679 -8.325 11.748 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.806 -5.731 10.897 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.318 -6.744 13.292 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.268 -4.466 13.501 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.509 -4.499 13.773 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.161 -3.904 12.227 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.335 -5.957 11.957 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.242 -5.520 10.622 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.428 -7.225 11.098 1.00 0.00 H new ATOM 447 N GLY A 57 -3.893 -7.106 12.989 1.00 0.00 N ATOM 448 CA GLY A 57 -2.687 -7.010 13.780 1.00 0.00 C ATOM 449 C GLY A 57 -1.523 -7.629 13.031 1.00 0.00 C ATOM 450 O GLY A 57 -0.701 -8.292 13.670 1.00 0.00 O ATOM 0 H GLY A 57 -4.116 -8.068 12.731 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.471 -5.965 14.004 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.827 -7.518 14.734 1.00 0.00 H new ATOM 454 N GLN A 58 -1.450 -7.493 11.700 1.00 0.00 N ATOM 455 CA GLN A 58 -0.261 -7.907 10.976 1.00 0.00 C ATOM 456 C GLN A 58 0.120 -6.854 9.944 1.00 0.00 C ATOM 457 O GLN A 58 -0.700 -6.030 9.524 1.00 0.00 O ATOM 458 CB GLN A 58 -0.461 -9.290 10.334 1.00 0.00 C ATOM 459 CG GLN A 58 -1.343 -9.246 9.089 1.00 0.00 C ATOM 460 CD GLN A 58 -1.207 -10.499 8.257 1.00 0.00 C ATOM 461 OE1 GLN A 58 -1.361 -11.618 8.731 1.00 0.00 O ATOM 462 NE2 GLN A 58 -0.911 -10.315 6.985 1.00 0.00 N ATOM 0 H GLN A 58 -2.193 -7.105 11.118 1.00 0.00 H new ATOM 0 HA GLN A 58 0.565 -7.998 11.681 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.511 -9.706 10.070 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.908 -9.963 11.066 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.384 -9.119 9.386 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.076 -8.379 8.485 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.789 -9.370 6.621 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.804 -11.118 6.365 1.00 0.00 H new ATOM 471 N ARG A 59 1.355 -6.964 9.469 1.00 0.00 N ATOM 472 CA ARG A 59 1.851 -6.209 8.337 1.00 0.00 C ATOM 473 C ARG A 59 1.334 -6.809 7.027 1.00 0.00 C ATOM 474 O ARG A 59 1.091 -8.019 6.945 1.00 0.00 O ATOM 475 CB ARG A 59 3.387 -6.106 8.415 1.00 0.00 C ATOM 476 CG ARG A 59 4.119 -7.440 8.188 1.00 0.00 C ATOM 477 CD ARG A 59 5.615 -7.396 8.539 1.00 0.00 C ATOM 478 NE ARG A 59 5.875 -7.293 9.990 1.00 0.00 N ATOM 479 CZ ARG A 59 6.412 -6.253 10.646 1.00 0.00 C ATOM 480 NH1 ARG A 59 6.635 -5.089 10.045 1.00 0.00 N ATOM 481 NH2 ARG A 59 6.751 -6.399 11.920 1.00 0.00 N ATOM 0 H ARG A 59 2.049 -7.594 9.871 1.00 0.00 H new ATOM 0 HA ARG A 59 1.470 -5.188 8.365 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.730 -5.385 7.673 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.665 -5.713 9.393 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.638 -8.214 8.786 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.009 -7.730 7.143 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.097 -8.294 8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.074 -6.546 8.034 1.00 0.00 H new ATOM 0 HE ARG A 59 5.618 -8.102 10.555 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.397 -4.969 9.060 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.045 -4.315 10.568 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.602 -7.293 12.388 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.160 -5.617 12.432 1.00 0.00 H new ATOM 495 N LEU A 60 1.158 -5.990 5.989 1.00 0.00 N ATOM 496 CA LEU A 60 0.878 -6.417 4.621 1.00 0.00 C ATOM 497 C LEU A 60 1.200 -5.301 3.617 1.00 0.00 C ATOM 498 O LEU A 60 1.331 -4.131 3.991 1.00 0.00 O ATOM 499 CB LEU A 60 -0.564 -6.933 4.448 1.00 0.00 C ATOM 500 CG LEU A 60 -1.791 -6.167 4.986 1.00 0.00 C ATOM 501 CD1 LEU A 60 -1.947 -6.245 6.498 1.00 0.00 C ATOM 502 CD2 LEU A 60 -1.882 -4.714 4.540 1.00 0.00 C ATOM 0 H LEU A 60 1.209 -4.976 6.083 1.00 0.00 H new ATOM 0 HA LEU A 60 1.536 -7.260 4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.722 -7.062 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.595 -7.926 4.897 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.622 -6.701 4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.830 -5.683 6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.058 -7.287 6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.065 -5.821 6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.775 -4.258 4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.000 -4.173 4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.937 -4.670 3.452 1.00 0.00 H new ATOM 514 N ARG A 61 1.291 -5.660 2.328 1.00 0.00 N ATOM 515 CA ARG A 61 1.358 -4.749 1.183 1.00 0.00 C ATOM 516 C ARG A 61 0.008 -4.807 0.479 1.00 0.00 C ATOM 517 O ARG A 61 -0.716 -5.797 0.591 1.00 0.00 O ATOM 518 CB ARG A 61 2.546 -5.133 0.266 1.00 0.00 C ATOM 519 CG ARG A 61 3.005 -4.065 -0.746 1.00 0.00 C ATOM 520 CD ARG A 61 4.300 -4.386 -1.530 1.00 0.00 C ATOM 521 NE ARG A 61 5.291 -5.128 -0.735 1.00 0.00 N ATOM 522 CZ ARG A 61 6.395 -5.763 -1.141 1.00 0.00 C ATOM 523 NH1 ARG A 61 6.855 -5.627 -2.384 1.00 0.00 N ATOM 524 NH2 ARG A 61 7.017 -6.540 -0.262 1.00 0.00 N ATOM 0 H ARG A 61 1.321 -6.640 2.046 1.00 0.00 H new ATOM 0 HA ARG A 61 1.545 -3.720 1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.395 -5.392 0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.274 -6.032 -0.286 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.200 -3.903 -1.463 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.150 -3.126 -0.212 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.046 -4.968 -2.416 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.747 -3.455 -1.878 1.00 0.00 H new ATOM 0 HE ARG A 61 5.110 -5.163 0.268 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.363 -5.029 -3.047 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.700 -6.121 -2.672 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.649 -6.635 0.685 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.863 -7.042 -0.533 1.00 0.00 H new ATOM 538 N VAL A 62 -0.347 -3.752 -0.234 1.00 0.00 N ATOM 539 CA VAL A 62 -1.592 -3.565 -0.964 1.00 0.00 C ATOM 540 C VAL A 62 -1.258 -2.880 -2.292 1.00 0.00 C ATOM 541 O VAL A 62 -0.307 -2.097 -2.336 1.00 0.00 O ATOM 542 CB VAL A 62 -2.476 -2.680 -0.074 1.00 0.00 C ATOM 543 CG1 VAL A 62 -3.494 -1.762 -0.741 1.00 0.00 C ATOM 544 CG2 VAL A 62 -3.197 -3.425 1.027 1.00 0.00 C ATOM 0 H VAL A 62 0.270 -2.945 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.110 -4.498 -1.187 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.692 -2.036 0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.037 -1.205 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.978 -1.064 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.196 -2.359 -1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.798 -2.725 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.846 -4.184 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.468 -3.904 1.680 1.00 0.00 H new ATOM 554 N GLY A 63 -2.077 -3.064 -3.329 1.00 0.00 N ATOM 555 CA GLY A 63 -2.098 -2.216 -4.516 1.00 0.00 C ATOM 556 C GLY A 63 -3.531 -1.846 -4.837 1.00 0.00 C ATOM 557 O GLY A 63 -4.401 -2.697 -4.718 1.00 0.00 O ATOM 0 H GLY A 63 -2.757 -3.823 -3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.507 -1.316 -4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.647 -2.739 -5.359 1.00 0.00 H new ATOM 561 N GLY A 64 -3.784 -0.605 -5.234 1.00 0.00 N ATOM 562 CA GLY A 64 -5.120 -0.116 -5.579 1.00 0.00 C ATOM 563 C GLY A 64 -5.059 1.254 -6.246 1.00 0.00 C ATOM 564 O GLY A 64 -3.984 1.844 -6.324 1.00 0.00 O ATOM 0 H GLY A 64 -3.057 0.104 -5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.607 -0.826 -6.248 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.731 -0.056 -4.678 1.00 0.00 H new ATOM 568 N MET A 65 -6.188 1.771 -6.735 1.00 0.00 N ATOM 569 CA MET A 65 -6.254 2.948 -7.597 1.00 0.00 C ATOM 570 C MET A 65 -6.852 4.141 -6.846 1.00 0.00 C ATOM 571 O MET A 65 -7.900 3.984 -6.245 1.00 0.00 O ATOM 572 CB MET A 65 -7.049 2.584 -8.858 1.00 0.00 C ATOM 573 CG MET A 65 -6.584 3.445 -10.032 1.00 0.00 C ATOM 574 SD MET A 65 -7.322 3.104 -11.644 1.00 0.00 S ATOM 575 CE MET A 65 -6.804 1.387 -11.925 1.00 0.00 C ATOM 0 H MET A 65 -7.105 1.370 -6.536 1.00 0.00 H new ATOM 0 HA MET A 65 -5.252 3.254 -7.897 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.912 1.528 -9.093 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.114 2.736 -8.684 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.779 4.488 -9.784 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.503 3.336 -10.125 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.017 1.107 -12.957 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.734 1.294 -11.737 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.350 0.727 -11.250 1.00 0.00 H new ATOM 585 N VAL A 66 -6.184 5.294 -6.747 1.00 0.00 N ATOM 586 CA VAL A 66 -6.622 6.399 -5.883 1.00 0.00 C ATOM 587 C VAL A 66 -7.947 6.986 -6.391 1.00 0.00 C ATOM 588 O VAL A 66 -8.035 7.329 -7.571 1.00 0.00 O ATOM 589 CB VAL A 66 -5.530 7.484 -5.773 1.00 0.00 C ATOM 590 CG1 VAL A 66 -4.716 7.656 -7.014 1.00 0.00 C ATOM 591 CG2 VAL A 66 -5.969 8.804 -5.128 1.00 0.00 C ATOM 0 H VAL A 66 -5.325 5.490 -7.262 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.791 6.005 -4.881 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.843 7.066 -5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.971 8.436 -6.856 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.214 6.718 -7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.368 7.939 -7.840 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.126 9.494 -5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.778 9.243 -5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.316 8.615 -4.112 1.00 0.00 H new ATOM 601 N MET A 67 -8.962 7.141 -5.532 1.00 0.00 N ATOM 602 CA MET A 67 -10.195 7.847 -5.896 1.00 0.00 C ATOM 603 C MET A 67 -9.887 9.311 -6.227 1.00 0.00 C ATOM 604 O MET A 67 -9.120 9.955 -5.500 1.00 0.00 O ATOM 605 CB MET A 67 -11.232 7.822 -4.755 1.00 0.00 C ATOM 606 CG MET A 67 -12.377 6.850 -5.034 1.00 0.00 C ATOM 607 SD MET A 67 -13.554 6.719 -3.668 1.00 0.00 S ATOM 608 CE MET A 67 -13.838 4.932 -3.718 1.00 0.00 C ATOM 0 H MET A 67 -8.952 6.785 -4.576 1.00 0.00 H new ATOM 0 HA MET A 67 -10.610 7.333 -6.763 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.739 7.541 -3.825 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.636 8.824 -4.612 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.907 7.171 -5.931 1.00 0.00 H new ATOM 0 HG3 MET A 67 -11.964 5.864 -5.244 1.00 0.00 H new ATOM 0 HE1 MET A 67 -14.684 4.680 -3.078 1.00 0.00 H new ATOM 0 HE2 MET A 67 -14.054 4.626 -4.742 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.948 4.412 -3.364 1.00 0.00 H new ATOM 618 N PRO A 68 -10.527 9.875 -7.263 1.00 0.00 N ATOM 619 CA PRO A 68 -10.585 11.317 -7.431 1.00 0.00 C ATOM 620 C PRO A 68 -11.337 11.917 -6.239 1.00 0.00 C ATOM 621 O PRO A 68 -12.325 11.337 -5.792 1.00 0.00 O ATOM 622 CB PRO A 68 -11.323 11.557 -8.752 1.00 0.00 C ATOM 623 CG PRO A 68 -12.013 10.232 -9.095 1.00 0.00 C ATOM 624 CD PRO A 68 -11.524 9.213 -8.084 1.00 0.00 C ATOM 0 HA PRO A 68 -9.601 11.785 -7.464 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.051 12.362 -8.652 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.629 11.851 -9.539 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.097 10.336 -9.047 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.768 9.919 -10.110 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.350 8.851 -7.471 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.096 8.346 -8.587 1.00 0.00 H new ATOM 632 N GLY A 69 -10.882 13.064 -5.729 1.00 0.00 N ATOM 633 CA GLY A 69 -11.525 13.740 -4.607 1.00 0.00 C ATOM 634 C GLY A 69 -11.427 12.933 -3.313 1.00 0.00 C ATOM 635 O GLY A 69 -12.417 12.811 -2.593 1.00 0.00 O ATOM 0 H GLY A 69 -10.057 13.548 -6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.063 14.716 -4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.574 13.917 -4.844 1.00 0.00 H new ATOM 639 N SER A 70 -10.253 12.362 -3.025 1.00 0.00 N ATOM 640 CA SER A 70 -9.970 11.730 -1.741 1.00 0.00 C ATOM 641 C SER A 70 -8.832 12.499 -1.068 1.00 0.00 C ATOM 642 O SER A 70 -9.086 13.454 -0.335 1.00 0.00 O ATOM 643 CB SER A 70 -9.730 10.219 -1.922 1.00 0.00 C ATOM 644 OG SER A 70 -8.681 9.911 -2.838 1.00 0.00 O ATOM 0 H SER A 70 -9.473 12.327 -3.681 1.00 0.00 H new ATOM 0 HA SER A 70 -10.824 11.784 -1.066 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.495 9.779 -0.953 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.652 9.753 -2.269 1.00 0.00 H new ATOM 0 HG SER A 70 -9.037 9.897 -3.751 1.00 0.00 H new ATOM 650 N VAL A 71 -7.603 12.141 -1.440 1.00 0.00 N ATOM 651 CA VAL A 71 -6.299 12.505 -0.898 1.00 0.00 C ATOM 652 C VAL A 71 -6.276 13.822 -0.099 1.00 0.00 C ATOM 653 O VAL A 71 -6.154 14.911 -0.668 1.00 0.00 O ATOM 654 CB VAL A 71 -5.216 12.312 -1.987 1.00 0.00 C ATOM 655 CG1 VAL A 71 -5.613 12.849 -3.363 1.00 0.00 C ATOM 656 CG2 VAL A 71 -3.840 12.843 -1.589 1.00 0.00 C ATOM 0 H VAL A 71 -7.488 11.507 -2.231 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.040 11.813 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.139 11.228 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.801 12.675 -4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.511 12.336 -3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.811 13.919 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.135 12.672 -2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.907 13.912 -1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.495 12.325 -0.694 1.00 0.00 H new ATOM 666 N GLN A 72 -6.404 13.690 1.225 1.00 0.00 N ATOM 667 CA GLN A 72 -6.362 14.718 2.261 1.00 0.00 C ATOM 668 C GLN A 72 -4.930 14.843 2.766 1.00 0.00 C ATOM 669 O GLN A 72 -4.517 14.103 3.665 1.00 0.00 O ATOM 670 CB GLN A 72 -7.307 14.316 3.408 1.00 0.00 C ATOM 671 CG GLN A 72 -8.742 14.669 3.032 1.00 0.00 C ATOM 672 CD GLN A 72 -9.767 14.219 4.070 1.00 0.00 C ATOM 673 OE1 GLN A 72 -9.724 14.625 5.224 1.00 0.00 O ATOM 674 NE2 GLN A 72 -10.726 13.390 3.695 1.00 0.00 N ATOM 0 H GLN A 72 -6.554 12.768 1.635 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.686 15.679 1.862 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.224 13.247 3.604 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.023 14.832 4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.820 15.748 2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.982 14.211 2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.761 13.052 2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.431 13.088 4.367 1.00 0.00 H new ATOM 683 N ARG A 73 -4.159 15.735 2.144 1.00 0.00 N ATOM 684 CA ARG A 73 -2.752 15.983 2.507 1.00 0.00 C ATOM 685 C ARG A 73 -2.706 17.096 3.546 1.00 0.00 C ATOM 686 O ARG A 73 -3.512 18.025 3.458 1.00 0.00 O ATOM 687 CB ARG A 73 -1.881 16.388 1.297 1.00 0.00 C ATOM 688 CG ARG A 73 -2.099 15.621 -0.019 1.00 0.00 C ATOM 689 CD ARG A 73 -1.966 16.539 -1.243 1.00 0.00 C ATOM 690 NE ARG A 73 -0.571 16.823 -1.618 1.00 0.00 N ATOM 691 CZ ARG A 73 -0.165 17.494 -2.707 1.00 0.00 C ATOM 692 NH1 ARG A 73 -1.032 18.030 -3.564 1.00 0.00 N ATOM 693 NH2 ARG A 73 1.133 17.616 -2.949 1.00 0.00 N ATOM 0 H ARG A 73 -4.489 16.312 1.370 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.345 15.051 2.900 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.047 17.447 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.835 16.277 1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.374 14.811 -0.092 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.088 15.164 -0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.474 16.078 -2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.477 17.480 -1.038 1.00 0.00 H new ATOM 0 HE ARG A 73 0.155 16.477 -0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.035 17.936 -3.401 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.694 18.535 -4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.812 17.202 -2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.452 18.124 -3.774 1.00 0.00 H new ATOM 758 N LEU A 78 3.442 16.365 6.484 1.00 0.00 N ATOM 759 CA LEU A 78 3.616 15.295 5.495 1.00 0.00 C ATOM 760 C LEU A 78 2.542 14.224 5.617 1.00 0.00 C ATOM 761 O LEU A 78 2.503 13.305 4.789 1.00 0.00 O ATOM 762 CB LEU A 78 5.003 14.637 5.635 1.00 0.00 C ATOM 763 CG LEU A 78 6.207 15.585 5.506 1.00 0.00 C ATOM 764 CD1 LEU A 78 7.498 14.758 5.478 1.00 0.00 C ATOM 765 CD2 LEU A 78 6.106 16.444 4.243 1.00 0.00 C ATOM 0 HA LEU A 78 3.528 15.761 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.055 14.144 6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.094 13.859 4.877 1.00 0.00 H new ATOM 0 HG LEU A 78 6.215 16.257 6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.355 15.425 5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.582 14.183 6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.476 14.077 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.972 17.103 4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.078 15.798 3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.196 17.043 4.282 1.00 0.00 H new ATOM 777 N LYS A 79 1.691 14.316 6.646 1.00 0.00 N ATOM 778 CA LYS A 79 0.534 13.476 6.842 1.00 0.00 C ATOM 779 C LYS A 79 -0.321 13.562 5.603 1.00 0.00 C ATOM 780 O LYS A 79 -0.467 14.627 5.003 1.00 0.00 O ATOM 781 CB LYS A 79 -0.216 13.962 8.088 1.00 0.00 C ATOM 782 CG LYS A 79 0.147 13.089 9.290 1.00 0.00 C ATOM 783 CD LYS A 79 -0.781 11.899 9.550 1.00 0.00 C ATOM 784 CE LYS A 79 -1.943 12.370 10.427 1.00 0.00 C ATOM 785 NZ LYS A 79 -2.766 11.253 10.928 1.00 0.00 N ATOM 0 H LYS A 79 1.806 15.009 7.386 1.00 0.00 H new ATOM 0 HA LYS A 79 0.811 12.434 7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.038 15.002 8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.291 13.925 7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.160 12.712 9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.161 13.717 10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.156 11.498 8.608 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.236 11.095 10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.549 12.934 11.273 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.572 13.051 9.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.538 11.627 11.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.166 10.729 10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.175 10.615 11.498 1.00 0.00 H new ATOM 799 N VAL A 80 -0.856 12.425 5.202 1.00 0.00 N ATOM 800 CA VAL A 80 -1.755 12.377 4.079 1.00 0.00 C ATOM 801 C VAL A 80 -2.589 11.123 4.200 1.00 0.00 C ATOM 802 O VAL A 80 -2.061 10.026 4.347 1.00 0.00 O ATOM 803 CB VAL A 80 -0.970 12.496 2.762 1.00 0.00 C ATOM 804 CG1 VAL A 80 0.164 11.499 2.569 1.00 0.00 C ATOM 805 CG2 VAL A 80 -1.884 12.439 1.557 1.00 0.00 C ATOM 0 H VAL A 80 -0.679 11.522 5.643 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.441 13.224 4.074 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.500 13.476 2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.645 11.677 1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.895 11.620 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.235 10.485 2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.291 12.526 0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.420 11.490 1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.600 13.260 1.604 1.00 0.00 H new ATOM 815 N THR A 81 -3.895 11.285 4.128 1.00 0.00 N ATOM 816 CA THR A 81 -4.817 10.176 4.016 1.00 0.00 C ATOM 817 C THR A 81 -5.240 10.132 2.543 1.00 0.00 C ATOM 818 O THR A 81 -5.275 11.189 1.908 1.00 0.00 O ATOM 819 CB THR A 81 -5.970 10.420 5.000 1.00 0.00 C ATOM 820 OG1 THR A 81 -5.495 10.830 6.281 1.00 0.00 O ATOM 821 CG2 THR A 81 -6.758 9.138 5.200 1.00 0.00 C ATOM 0 H THR A 81 -4.349 12.198 4.146 1.00 0.00 H new ATOM 0 HA THR A 81 -4.396 9.206 4.278 1.00 0.00 H new ATOM 0 HB THR A 81 -6.591 11.207 4.572 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.256 10.978 6.880 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.575 9.318 5.899 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.165 8.808 4.244 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.101 8.366 5.600 1.00 0.00 H new ATOM 829 N PHE A 82 -5.502 8.959 1.958 1.00 0.00 N ATOM 830 CA PHE A 82 -6.151 8.867 0.647 1.00 0.00 C ATOM 831 C PHE A 82 -7.039 7.623 0.598 1.00 0.00 C ATOM 832 O PHE A 82 -6.981 6.800 1.509 1.00 0.00 O ATOM 833 CB PHE A 82 -5.133 8.974 -0.509 1.00 0.00 C ATOM 834 CG PHE A 82 -4.038 7.932 -0.642 1.00 0.00 C ATOM 835 CD1 PHE A 82 -2.918 7.965 0.226 1.00 0.00 C ATOM 836 CD2 PHE A 82 -4.084 6.979 -1.690 1.00 0.00 C ATOM 837 CE1 PHE A 82 -1.840 7.091 0.021 1.00 0.00 C ATOM 838 CE2 PHE A 82 -3.059 6.029 -1.796 1.00 0.00 C ATOM 839 CZ PHE A 82 -1.912 6.112 -0.983 1.00 0.00 C ATOM 0 H PHE A 82 -5.273 8.056 2.374 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.808 9.725 0.504 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.697 8.975 -1.442 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.649 9.947 -0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.894 8.665 1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.899 6.985 -2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.955 7.171 0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.150 5.224 -2.510 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.091 5.426 -1.131 1.00 0.00 H new ATOM 849 N THR A 83 -7.834 7.441 -0.458 1.00 0.00 N ATOM 850 CA THR A 83 -8.585 6.195 -0.651 1.00 0.00 C ATOM 851 C THR A 83 -8.064 5.523 -1.910 1.00 0.00 C ATOM 852 O THR A 83 -7.780 6.219 -2.887 1.00 0.00 O ATOM 853 CB THR A 83 -10.098 6.460 -0.795 1.00 0.00 C ATOM 854 OG1 THR A 83 -10.540 7.603 -0.091 1.00 0.00 O ATOM 855 CG2 THR A 83 -10.964 5.250 -0.416 1.00 0.00 C ATOM 0 H THR A 83 -7.975 8.136 -1.191 1.00 0.00 H new ATOM 0 HA THR A 83 -8.446 5.557 0.221 1.00 0.00 H new ATOM 0 HB THR A 83 -10.230 6.652 -1.860 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.504 7.716 -0.224 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.017 5.503 -0.539 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.715 4.408 -1.062 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.776 4.979 0.623 1.00 0.00 H new ATOM 863 N ILE A 84 -8.017 4.188 -1.958 1.00 0.00 N ATOM 864 CA ILE A 84 -7.635 3.416 -3.133 1.00 0.00 C ATOM 865 C ILE A 84 -8.678 2.314 -3.371 1.00 0.00 C ATOM 866 O ILE A 84 -9.004 1.576 -2.446 1.00 0.00 O ATOM 867 CB ILE A 84 -6.191 2.890 -3.009 1.00 0.00 C ATOM 868 CG1 ILE A 84 -5.663 2.828 -1.577 1.00 0.00 C ATOM 869 CG2 ILE A 84 -5.229 3.767 -3.820 1.00 0.00 C ATOM 870 CD1 ILE A 84 -4.337 2.072 -1.475 1.00 0.00 C ATOM 0 H ILE A 84 -8.251 3.603 -1.156 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.629 4.054 -4.017 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.233 1.871 -3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.530 3.841 -1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.404 2.344 -0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.214 3.381 -3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.522 3.754 -4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.266 4.790 -3.446 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.006 2.057 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.473 1.049 -1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.586 2.570 -2.088 1.00 0.00 H new ATOM 882 N TYR A 85 -9.241 2.244 -4.583 1.00 0.00 N ATOM 883 CA TYR A 85 -10.319 1.356 -5.013 1.00 0.00 C ATOM 884 C TYR A 85 -9.827 0.419 -6.124 1.00 0.00 C ATOM 885 O TYR A 85 -8.702 0.566 -6.605 1.00 0.00 O ATOM 886 CB TYR A 85 -11.545 2.169 -5.480 1.00 0.00 C ATOM 887 CG TYR A 85 -11.353 2.862 -6.815 1.00 0.00 C ATOM 888 CD1 TYR A 85 -10.647 4.072 -6.891 1.00 0.00 C ATOM 889 CD2 TYR A 85 -11.761 2.228 -8.000 1.00 0.00 C ATOM 890 CE1 TYR A 85 -10.267 4.603 -8.129 1.00 0.00 C ATOM 891 CE2 TYR A 85 -11.392 2.754 -9.247 1.00 0.00 C ATOM 892 CZ TYR A 85 -10.621 3.938 -9.321 1.00 0.00 C ATOM 893 OH TYR A 85 -10.186 4.408 -10.522 1.00 0.00 O ATOM 0 H TYR A 85 -8.930 2.852 -5.341 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.626 0.748 -4.162 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.405 1.503 -5.548 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.781 2.918 -4.724 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -10.394 4.600 -5.984 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.361 1.332 -7.951 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.702 5.523 -8.171 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.698 2.253 -10.154 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.352 3.955 -10.768 1.00 0.00 H new ATOM 903 N ASP A 86 -10.659 -0.534 -6.534 1.00 0.00 N ATOM 904 CA ASP A 86 -10.434 -1.407 -7.696 1.00 0.00 C ATOM 905 C ASP A 86 -11.801 -1.845 -8.243 1.00 0.00 C ATOM 906 O ASP A 86 -12.829 -1.240 -7.928 1.00 0.00 O ATOM 907 CB ASP A 86 -9.525 -2.595 -7.311 1.00 0.00 C ATOM 908 CG ASP A 86 -8.939 -3.425 -8.461 1.00 0.00 C ATOM 909 OD1 ASP A 86 -9.102 -3.068 -9.656 1.00 0.00 O ATOM 910 OD2 ASP A 86 -8.181 -4.378 -8.163 1.00 0.00 O ATOM 0 H ASP A 86 -11.538 -0.731 -6.056 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.908 -0.873 -8.487 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.697 -2.209 -6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.096 -3.264 -6.667 1.00 0.00 H new ATOM 915 N ALA A 87 -11.847 -2.876 -9.088 1.00 0.00 N ATOM 916 CA ALA A 87 -13.065 -3.392 -9.691 1.00 0.00 C ATOM 917 C ALA A 87 -14.039 -4.016 -8.678 1.00 0.00 C ATOM 918 O ALA A 87 -15.166 -4.334 -9.060 1.00 0.00 O ATOM 919 CB ALA A 87 -12.710 -4.408 -10.781 1.00 0.00 C ATOM 0 H ALA A 87 -11.012 -3.386 -9.376 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.586 -2.538 -10.124 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.625 -4.793 -11.231 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.105 -3.923 -11.547 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.147 -5.232 -10.341 1.00 0.00 H new ATOM 925 N GLU A 88 -13.662 -4.149 -7.405 1.00 0.00 N ATOM 926 CA GLU A 88 -14.427 -4.821 -6.368 1.00 0.00 C ATOM 927 C GLU A 88 -14.784 -3.743 -5.342 1.00 0.00 C ATOM 928 O GLU A 88 -15.914 -3.259 -5.349 1.00 0.00 O ATOM 929 CB GLU A 88 -13.677 -6.026 -5.766 1.00 0.00 C ATOM 930 CG GLU A 88 -12.482 -6.606 -6.543 1.00 0.00 C ATOM 931 CD GLU A 88 -12.819 -7.577 -7.668 1.00 0.00 C ATOM 932 OE1 GLU A 88 -13.643 -8.489 -7.427 1.00 0.00 O ATOM 933 OE2 GLU A 88 -12.192 -7.450 -8.739 1.00 0.00 O ATOM 0 H GLU A 88 -12.778 -3.774 -7.060 1.00 0.00 H new ATOM 0 HA GLU A 88 -15.335 -5.269 -6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.321 -5.736 -4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.400 -6.829 -5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.913 -5.778 -6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.828 -7.115 -5.835 1.00 0.00 H new ATOM 940 N GLY A 89 -13.818 -3.325 -4.513 1.00 0.00 N ATOM 941 CA GLY A 89 -14.045 -2.520 -3.322 1.00 0.00 C ATOM 942 C GLY A 89 -13.175 -1.265 -3.275 1.00 0.00 C ATOM 943 O GLY A 89 -12.604 -0.838 -4.285 1.00 0.00 O ATOM 0 H GLY A 89 -12.834 -3.547 -4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.095 -2.229 -3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.847 -3.126 -2.438 1.00 0.00 H new ATOM 947 N SER A 90 -13.060 -0.689 -2.074 1.00 0.00 N ATOM 948 CA SER A 90 -12.110 0.369 -1.777 1.00 0.00 C ATOM 949 C SER A 90 -11.586 0.240 -0.351 1.00 0.00 C ATOM 950 O SER A 90 -12.220 -0.428 0.475 1.00 0.00 O ATOM 951 CB SER A 90 -12.716 1.736 -2.097 1.00 0.00 C ATOM 952 OG SER A 90 -13.802 2.096 -1.256 1.00 0.00 O ATOM 0 H SER A 90 -13.636 -0.954 -1.275 1.00 0.00 H new ATOM 0 HA SER A 90 -11.237 0.269 -2.422 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.938 2.495 -2.015 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.055 1.738 -3.133 1.00 0.00 H new ATOM 0 HG SER A 90 -14.138 2.979 -1.516 1.00 0.00 H new ATOM 958 N VAL A 91 -10.442 0.863 -0.053 1.00 0.00 N ATOM 959 CA VAL A 91 -9.866 0.913 1.282 1.00 0.00 C ATOM 960 C VAL A 91 -9.347 2.322 1.519 1.00 0.00 C ATOM 961 O VAL A 91 -8.842 2.969 0.590 1.00 0.00 O ATOM 962 CB VAL A 91 -8.763 -0.162 1.430 1.00 0.00 C ATOM 963 CG1 VAL A 91 -9.289 -1.577 1.155 1.00 0.00 C ATOM 964 CG2 VAL A 91 -7.546 0.125 0.546 1.00 0.00 C ATOM 0 H VAL A 91 -9.884 1.355 -0.751 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.616 0.688 2.041 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.444 -0.113 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.478 -2.296 1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.086 -1.812 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.677 -1.630 0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.801 -0.658 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.853 0.150 -0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.116 1.088 0.821 1.00 0.00 H new ATOM 974 N ASP A 92 -9.454 2.777 2.764 1.00 0.00 N ATOM 975 CA ASP A 92 -8.792 3.997 3.195 1.00 0.00 C ATOM 976 C ASP A 92 -7.315 3.672 3.403 1.00 0.00 C ATOM 977 O ASP A 92 -6.977 2.546 3.798 1.00 0.00 O ATOM 978 CB ASP A 92 -9.356 4.517 4.528 1.00 0.00 C ATOM 979 CG ASP A 92 -10.646 5.333 4.429 1.00 0.00 C ATOM 980 OD1 ASP A 92 -10.891 6.012 3.404 1.00 0.00 O ATOM 981 OD2 ASP A 92 -11.392 5.332 5.434 1.00 0.00 O ATOM 0 H ASP A 92 -9.997 2.314 3.493 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.948 4.764 2.436 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.537 3.664 5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.595 5.132 5.008 1.00 0.00 H new ATOM 986 N VAL A 93 -6.431 4.656 3.237 1.00 0.00 N ATOM 987 CA VAL A 93 -5.062 4.565 3.698 1.00 0.00 C ATOM 988 C VAL A 93 -4.692 5.828 4.467 1.00 0.00 C ATOM 989 O VAL A 93 -5.026 6.934 4.046 1.00 0.00 O ATOM 990 CB VAL A 93 -4.117 4.304 2.520 1.00 0.00 C ATOM 991 CG1 VAL A 93 -4.562 3.130 1.622 1.00 0.00 C ATOM 992 CG2 VAL A 93 -3.890 5.471 1.615 1.00 0.00 C ATOM 0 H VAL A 93 -6.654 5.538 2.776 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.961 3.721 4.380 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.187 4.068 3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.847 3.002 0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.606 2.216 2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.548 3.342 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.208 5.184 0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.840 5.788 1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.456 6.293 2.184 1.00 0.00 H new ATOM 1002 N SER A 94 -3.928 5.659 5.537 1.00 0.00 N ATOM 1003 CA SER A 94 -3.224 6.712 6.241 1.00 0.00 C ATOM 1004 C SER A 94 -1.780 6.557 5.833 1.00 0.00 C ATOM 1005 O SER A 94 -1.237 5.458 5.867 1.00 0.00 O ATOM 1006 CB SER A 94 -3.350 6.530 7.753 1.00 0.00 C ATOM 1007 OG SER A 94 -2.993 7.679 8.502 1.00 0.00 O ATOM 0 H SER A 94 -3.778 4.740 5.954 1.00 0.00 H new ATOM 0 HA SER A 94 -3.627 7.695 5.999 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.378 6.258 7.992 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.720 5.696 8.062 1.00 0.00 H new ATOM 0 HG SER A 94 -3.099 7.492 9.458 1.00 0.00 H new ATOM 1013 N TYR A 95 -1.164 7.662 5.468 1.00 0.00 N ATOM 1014 CA TYR A 95 0.253 7.789 5.222 1.00 0.00 C ATOM 1015 C TYR A 95 0.762 9.035 5.953 1.00 0.00 C ATOM 1016 O TYR A 95 -0.007 9.853 6.473 1.00 0.00 O ATOM 1017 CB TYR A 95 0.467 7.861 3.707 1.00 0.00 C ATOM 1018 CG TYR A 95 1.904 7.975 3.244 1.00 0.00 C ATOM 1019 CD1 TYR A 95 2.921 7.189 3.809 1.00 0.00 C ATOM 1020 CD2 TYR A 95 2.218 8.876 2.219 1.00 0.00 C ATOM 1021 CE1 TYR A 95 4.247 7.335 3.376 1.00 0.00 C ATOM 1022 CE2 TYR A 95 3.538 9.018 1.763 1.00 0.00 C ATOM 1023 CZ TYR A 95 4.561 8.248 2.348 1.00 0.00 C ATOM 1024 OH TYR A 95 5.828 8.364 1.884 1.00 0.00 O ATOM 0 H TYR A 95 -1.666 8.539 5.328 1.00 0.00 H new ATOM 0 HA TYR A 95 0.816 6.935 5.599 1.00 0.00 H new ATOM 0 HB2 TYR A 95 0.030 6.970 3.256 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -0.087 8.717 3.322 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.682 6.470 4.579 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.434 9.470 1.773 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.030 6.747 3.831 1.00 0.00 H new ATOM 0 HE2 TYR A 95 3.767 9.713 0.969 1.00 0.00 H new ATOM 0 HH TYR A 95 6.053 7.575 1.348 1.00 0.00 H new ATOM 1034 N GLU A 96 2.072 9.175 6.032 1.00 0.00 N ATOM 1035 CA GLU A 96 2.768 10.376 6.434 1.00 0.00 C ATOM 1036 C GLU A 96 4.132 10.230 5.797 1.00 0.00 C ATOM 1037 O GLU A 96 4.908 9.393 6.256 1.00 0.00 O ATOM 1038 CB GLU A 96 2.872 10.530 7.967 1.00 0.00 C ATOM 1039 CG GLU A 96 3.744 11.755 8.306 1.00 0.00 C ATOM 1040 CD GLU A 96 3.762 12.132 9.786 1.00 0.00 C ATOM 1041 OE1 GLU A 96 4.316 11.361 10.598 1.00 0.00 O ATOM 1042 OE2 GLU A 96 3.302 13.235 10.142 1.00 0.00 O ATOM 0 H GLU A 96 2.710 8.412 5.805 1.00 0.00 H new ATOM 0 HA GLU A 96 2.239 11.274 6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.878 10.648 8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.305 9.630 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.766 11.558 7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.387 12.609 7.731 1.00 0.00 H new ATOM 1049 N GLY A 97 4.432 10.992 4.745 1.00 0.00 N ATOM 1050 CA GLY A 97 5.826 10.947 4.287 1.00 0.00 C ATOM 1051 C GLY A 97 6.171 11.625 2.979 1.00 0.00 C ATOM 1052 O GLY A 97 7.217 11.299 2.432 1.00 0.00 O ATOM 0 H GLY A 97 3.795 11.599 4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.447 11.390 5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.116 9.899 4.206 1.00 0.00 H new ATOM 1056 N ILE A 98 5.339 12.558 2.508 1.00 0.00 N ATOM 1057 CA ILE A 98 5.364 13.153 1.182 1.00 0.00 C ATOM 1058 C ILE A 98 5.198 12.102 0.082 1.00 0.00 C ATOM 1059 O ILE A 98 5.949 11.134 -0.037 1.00 0.00 O ATOM 1060 CB ILE A 98 6.543 14.145 1.039 1.00 0.00 C ATOM 1061 CG1 ILE A 98 5.985 15.465 0.476 1.00 0.00 C ATOM 1062 CG2 ILE A 98 7.739 13.650 0.212 1.00 0.00 C ATOM 1063 CD1 ILE A 98 6.967 16.607 0.694 1.00 0.00 C ATOM 0 H ILE A 98 4.586 12.937 3.083 1.00 0.00 H new ATOM 0 HA ILE A 98 4.485 13.782 1.042 1.00 0.00 H new ATOM 0 HB ILE A 98 6.967 14.275 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.781 15.353 -0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.036 15.699 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.504 14.425 0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.152 12.752 0.671 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.410 13.421 -0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.550 17.528 0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.149 16.731 1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.906 16.381 0.189 1.00 0.00 H new ATOM 1075 N LEU A 99 4.111 12.231 -0.675 1.00 0.00 N ATOM 1076 CA LEU A 99 3.796 11.241 -1.691 1.00 0.00 C ATOM 1077 C LEU A 99 4.732 11.406 -2.885 1.00 0.00 C ATOM 1078 O LEU A 99 5.106 12.541 -3.191 1.00 0.00 O ATOM 1079 CB LEU A 99 2.326 11.352 -2.098 1.00 0.00 C ATOM 1080 CG LEU A 99 1.445 10.668 -1.049 1.00 0.00 C ATOM 1081 CD1 LEU A 99 0.002 11.149 -1.169 1.00 0.00 C ATOM 1082 CD2 LEU A 99 1.477 9.150 -1.169 1.00 0.00 C ATOM 0 H LEU A 99 3.445 13.000 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 99 3.948 10.241 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.044 12.400 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.173 10.889 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 99 1.849 10.940 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.611 10.653 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.036 12.227 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.380 10.911 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.837 8.711 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.118 8.855 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.499 8.796 -1.034 1.00 0.00 H new ATOM 1094 N PRO A 100 5.062 10.300 -3.578 1.00 0.00 N ATOM 1095 CA PRO A 100 5.985 10.308 -4.708 1.00 0.00 C ATOM 1096 C PRO A 100 5.437 11.212 -5.818 1.00 0.00 C ATOM 1097 O PRO A 100 4.219 11.399 -5.907 1.00 0.00 O ATOM 1098 CB PRO A 100 6.121 8.843 -5.158 1.00 0.00 C ATOM 1099 CG PRO A 100 5.067 8.043 -4.387 1.00 0.00 C ATOM 1100 CD PRO A 100 4.505 8.980 -3.328 1.00 0.00 C ATOM 0 HA PRO A 100 6.964 10.708 -4.445 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.965 8.753 -6.233 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.122 8.466 -4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.279 7.695 -5.055 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.510 7.159 -3.928 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.416 9.007 -3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.770 8.634 -2.329 1.00 0.00 H new ATOM 1108 N ASP A 101 6.288 11.736 -6.711 1.00 0.00 N ATOM 1109 CA ASP A 101 5.803 12.690 -7.720 1.00 0.00 C ATOM 1110 C ASP A 101 4.768 12.037 -8.622 1.00 0.00 C ATOM 1111 O ASP A 101 3.729 12.623 -8.928 1.00 0.00 O ATOM 1112 CB ASP A 101 6.902 13.264 -8.615 1.00 0.00 C ATOM 1113 CG ASP A 101 6.308 14.480 -9.335 1.00 0.00 C ATOM 1114 OD1 ASP A 101 6.224 15.554 -8.693 1.00 0.00 O ATOM 1115 OD2 ASP A 101 5.830 14.377 -10.491 1.00 0.00 O ATOM 0 H ASP A 101 7.285 11.525 -6.758 1.00 0.00 H new ATOM 0 HA ASP A 101 5.374 13.510 -7.145 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.770 13.553 -8.022 1.00 0.00 H new ATOM 0 HB3 ASP A 101 7.242 12.519 -9.334 1.00 0.00 H new ATOM 1120 N LEU A 102 5.043 10.783 -8.988 1.00 0.00 N ATOM 1121 CA LEU A 102 4.198 9.960 -9.836 1.00 0.00 C ATOM 1122 C LEU A 102 2.802 9.794 -9.240 1.00 0.00 C ATOM 1123 O LEU A 102 1.862 9.623 -10.018 1.00 0.00 O ATOM 1124 CB LEU A 102 4.856 8.586 -10.073 1.00 0.00 C ATOM 1125 CG LEU A 102 5.828 8.553 -11.269 1.00 0.00 C ATOM 1126 CD1 LEU A 102 7.047 9.466 -11.080 1.00 0.00 C ATOM 1127 CD2 LEU A 102 6.304 7.115 -11.496 1.00 0.00 C ATOM 0 H LEU A 102 5.891 10.302 -8.688 1.00 0.00 H new ATOM 0 HA LEU A 102 4.088 10.467 -10.795 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.395 8.293 -9.172 1.00 0.00 H new ATOM 0 HB3 LEU A 102 4.074 7.843 -10.233 1.00 0.00 H new ATOM 0 HG LEU A 102 5.281 8.925 -12.135 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.692 9.398 -11.956 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.714 10.496 -10.954 1.00 0.00 H new ATOM 0 HD13 LEU A 102 7.602 9.153 -10.195 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.992 7.089 -12.341 1.00 0.00 H new ATOM 0 HD22 LEU A 102 6.814 6.755 -10.602 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.446 6.477 -11.706 1.00 0.00 H new ATOM 1139 N PHE A 103 2.637 9.859 -7.912 1.00 0.00 N ATOM 1140 CA PHE A 103 1.341 9.823 -7.263 1.00 0.00 C ATOM 1141 C PHE A 103 0.458 10.932 -7.828 1.00 0.00 C ATOM 1142 O PHE A 103 0.859 12.098 -7.897 1.00 0.00 O ATOM 1143 CB PHE A 103 1.511 9.958 -5.750 1.00 0.00 C ATOM 1144 CG PHE A 103 0.248 9.677 -4.979 1.00 0.00 C ATOM 1145 CD1 PHE A 103 -0.733 10.679 -4.858 1.00 0.00 C ATOM 1146 CD2 PHE A 103 0.008 8.393 -4.460 1.00 0.00 C ATOM 1147 CE1 PHE A 103 -1.937 10.417 -4.189 1.00 0.00 C ATOM 1148 CE2 PHE A 103 -1.178 8.155 -3.752 1.00 0.00 C ATOM 1149 CZ PHE A 103 -2.151 9.159 -3.611 1.00 0.00 C ATOM 0 H PHE A 103 3.417 9.939 -7.259 1.00 0.00 H new ATOM 0 HA PHE A 103 0.856 8.867 -7.459 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.291 9.273 -5.417 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.852 10.967 -5.519 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.557 11.656 -5.283 1.00 0.00 H new ATOM 0 HD2 PHE A 103 0.728 7.601 -4.605 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.696 11.182 -4.120 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.347 7.185 -3.308 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.059 8.962 -3.060 1.00 0.00 H new ATOM 1159 N ARG A 104 -0.756 10.560 -8.227 1.00 0.00 N ATOM 1160 CA ARG A 104 -1.771 11.467 -8.744 1.00 0.00 C ATOM 1161 C ARG A 104 -3.091 11.295 -8.003 1.00 0.00 C ATOM 1162 O ARG A 104 -3.117 10.659 -6.954 1.00 0.00 O ATOM 1163 CB ARG A 104 -1.812 11.386 -10.264 1.00 0.00 C ATOM 1164 CG ARG A 104 -2.585 10.313 -11.035 1.00 0.00 C ATOM 1165 CD ARG A 104 -3.020 11.010 -12.332 1.00 0.00 C ATOM 1166 NE ARG A 104 -3.330 10.084 -13.434 1.00 0.00 N ATOM 1167 CZ ARG A 104 -4.541 9.799 -13.924 1.00 0.00 C ATOM 1168 NH1 ARG A 104 -5.627 10.119 -13.237 1.00 0.00 N ATOM 1169 NH2 ARG A 104 -4.666 9.181 -15.094 1.00 0.00 N ATOM 0 H ARG A 104 -1.067 9.589 -8.198 1.00 0.00 H new ATOM 0 HA ARG A 104 -1.513 12.506 -8.538 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -2.192 12.347 -10.612 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.776 11.314 -10.595 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -1.959 9.445 -11.242 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -3.445 9.958 -10.467 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.899 11.622 -12.127 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -2.228 11.687 -12.652 1.00 0.00 H new ATOM 0 HE ARG A 104 -2.538 9.610 -13.869 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -5.540 10.583 -12.333 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -6.550 9.901 -13.612 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -3.835 8.921 -15.625 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -5.593 8.967 -15.461 1.00 0.00 H new ATOM 1183 N GLU A 105 -4.202 11.791 -8.520 1.00 0.00 N ATOM 1184 CA GLU A 105 -5.504 11.210 -8.220 1.00 0.00 C ATOM 1185 C GLU A 105 -5.898 10.396 -9.440 1.00 0.00 C ATOM 1186 O GLU A 105 -5.855 10.899 -10.560 1.00 0.00 O ATOM 1187 CB GLU A 105 -6.540 12.311 -8.010 1.00 0.00 C ATOM 1188 CG GLU A 105 -6.529 12.856 -6.590 1.00 0.00 C ATOM 1189 CD GLU A 105 -7.479 14.039 -6.420 1.00 0.00 C ATOM 1190 OE1 GLU A 105 -8.584 14.019 -7.010 1.00 0.00 O ATOM 1191 OE2 GLU A 105 -7.060 15.015 -5.760 1.00 0.00 O ATOM 0 H GLU A 105 -4.231 12.594 -9.149 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.458 10.604 -7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.348 13.124 -8.710 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.532 11.921 -8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.810 12.064 -5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -5.517 13.164 -6.329 1.00 0.00 H new ATOM 1198 N GLY A 106 -6.280 9.144 -9.213 1.00 0.00 N ATOM 1199 CA GLY A 106 -6.706 8.244 -10.265 1.00 0.00 C ATOM 1200 C GLY A 106 -5.628 7.297 -10.768 1.00 0.00 C ATOM 1201 O GLY A 106 -5.912 6.661 -11.788 1.00 0.00 O ATOM 0 H GLY A 106 -6.301 8.727 -8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.547 7.654 -9.901 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.071 8.836 -11.105 1.00 0.00 H new ATOM 1205 N GLN A 107 -4.433 7.185 -10.149 1.00 0.00 N ATOM 1206 CA GLN A 107 -3.489 6.156 -10.631 1.00 0.00 C ATOM 1207 C GLN A 107 -3.568 4.921 -9.750 1.00 0.00 C ATOM 1208 O GLN A 107 -4.078 5.007 -8.634 1.00 0.00 O ATOM 1209 CB GLN A 107 -2.041 6.645 -10.691 1.00 0.00 C ATOM 1210 CG GLN A 107 -1.490 7.118 -9.347 1.00 0.00 C ATOM 1211 CD GLN A 107 -0.005 6.845 -9.139 1.00 0.00 C ATOM 1212 OE1 GLN A 107 0.450 6.579 -8.033 1.00 0.00 O ATOM 1213 NE2 GLN A 107 0.790 6.944 -10.185 1.00 0.00 N ATOM 0 H GLN A 107 -4.113 7.754 -9.365 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.790 5.917 -11.651 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.411 5.839 -11.067 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -1.974 7.463 -11.408 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.666 8.190 -9.254 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.051 6.633 -8.548 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.402 7.166 -11.102 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.794 6.799 -10.078 1.00 0.00 H new ATOM 1222 N GLY A 108 -3.013 3.801 -10.214 1.00 0.00 N ATOM 1223 CA GLY A 108 -2.652 2.691 -9.354 1.00 0.00 C ATOM 1224 C GLY A 108 -1.474 3.132 -8.490 1.00 0.00 C ATOM 1225 O GLY A 108 -0.490 3.670 -9.011 1.00 0.00 O ATOM 0 H GLY A 108 -2.804 3.645 -11.200 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.497 2.402 -8.729 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.383 1.819 -9.949 1.00 0.00 H new ATOM 1229 N VAL A 109 -1.543 2.851 -7.196 1.00 0.00 N ATOM 1230 CA VAL A 109 -0.523 3.075 -6.175 1.00 0.00 C ATOM 1231 C VAL A 109 -0.392 1.746 -5.416 1.00 0.00 C ATOM 1232 O VAL A 109 -1.293 0.902 -5.439 1.00 0.00 O ATOM 1233 CB VAL A 109 -0.806 4.329 -5.301 1.00 0.00 C ATOM 1234 CG1 VAL A 109 -2.044 5.107 -5.744 1.00 0.00 C ATOM 1235 CG2 VAL A 109 -0.920 4.077 -3.793 1.00 0.00 C ATOM 0 H VAL A 109 -2.381 2.426 -6.799 1.00 0.00 H new ATOM 0 HA VAL A 109 0.443 3.332 -6.609 1.00 0.00 H new ATOM 0 HB VAL A 109 0.094 4.921 -5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.184 5.969 -5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.912 5.446 -6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.920 4.461 -5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.118 5.019 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.737 3.381 -3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.013 3.652 -3.424 1.00 0.00 H new ATOM 1245 N VAL A 110 0.705 1.569 -4.694 1.00 0.00 N ATOM 1246 CA VAL A 110 0.929 0.480 -3.764 1.00 0.00 C ATOM 1247 C VAL A 110 1.117 1.106 -2.385 1.00 0.00 C ATOM 1248 O VAL A 110 1.779 2.135 -2.247 1.00 0.00 O ATOM 1249 CB VAL A 110 2.096 -0.390 -4.284 1.00 0.00 C ATOM 1250 CG1 VAL A 110 2.852 -1.164 -3.197 1.00 0.00 C ATOM 1251 CG2 VAL A 110 1.570 -1.390 -5.317 1.00 0.00 C ATOM 0 H VAL A 110 1.496 2.211 -4.745 1.00 0.00 H new ATOM 0 HA VAL A 110 0.092 -0.213 -3.678 1.00 0.00 H new ATOM 0 HB VAL A 110 2.809 0.310 -4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.652 -1.746 -3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.278 -0.462 -2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 110 2.164 -1.835 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.394 -2.003 -5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 110 0.819 -2.030 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.122 -0.850 -6.151 1.00 0.00 H new ATOM 1261 N VAL A 111 0.530 0.500 -1.355 1.00 0.00 N ATOM 1262 CA VAL A 111 0.850 0.813 0.034 1.00 0.00 C ATOM 1263 C VAL A 111 1.436 -0.404 0.719 1.00 0.00 C ATOM 1264 O VAL A 111 1.334 -1.527 0.225 1.00 0.00 O ATOM 1265 CB VAL A 111 -0.361 1.370 0.801 1.00 0.00 C ATOM 1266 CG1 VAL A 111 -0.695 2.770 0.310 1.00 0.00 C ATOM 1267 CG2 VAL A 111 -1.551 0.482 0.905 1.00 0.00 C ATOM 0 H VAL A 111 -0.182 -0.223 -1.461 1.00 0.00 H new ATOM 0 HA VAL A 111 1.599 1.605 0.035 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.040 1.423 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.554 3.153 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.161 3.426 0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.932 2.736 -0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.335 0.989 1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.917 0.245 -0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.274 -0.439 1.418 1.00 0.00 H new ATOM 1277 N GLN A 112 2.029 -0.174 1.882 1.00 0.00 N ATOM 1278 CA GLN A 112 2.628 -1.211 2.694 1.00 0.00 C ATOM 1279 C GLN A 112 2.724 -0.728 4.124 1.00 0.00 C ATOM 1280 O GLN A 112 3.006 0.450 4.290 1.00 0.00 O ATOM 1281 CB GLN A 112 4.047 -1.470 2.169 1.00 0.00 C ATOM 1282 CG GLN A 112 4.660 -2.622 2.953 1.00 0.00 C ATOM 1283 CD GLN A 112 5.722 -3.390 2.174 1.00 0.00 C ATOM 1284 OE1 GLN A 112 5.618 -4.599 2.001 1.00 0.00 O ATOM 1285 NE2 GLN A 112 6.754 -2.753 1.675 1.00 0.00 N ATOM 0 H GLN A 112 2.106 0.757 2.291 1.00 0.00 H new ATOM 0 HA GLN A 112 2.027 -2.119 2.650 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.018 -1.711 1.106 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.658 -0.574 2.276 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.104 -2.232 3.869 1.00 0.00 H new ATOM 0 HG3 GLN A 112 3.869 -3.311 3.250 1.00 0.00 H new ATOM 0 HE21 GLN A 112 6.848 -1.747 1.814 1.00 0.00 H new ATOM 0 HE22 GLN A 112 7.462 -3.264 1.148 1.00 0.00 H new ATOM 1294 N GLY A 113 2.583 -1.604 5.115 1.00 0.00 N ATOM 1295 CA GLY A 113 2.741 -1.247 6.517 1.00 0.00 C ATOM 1296 C GLY A 113 1.856 -2.177 7.319 1.00 0.00 C ATOM 1297 O GLY A 113 2.125 -3.374 7.271 1.00 0.00 O ATOM 0 H GLY A 113 2.355 -2.587 4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.782 -1.347 6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.458 -0.208 6.684 1.00 0.00 H new ATOM 1301 N GLU A 114 0.782 -1.701 7.965 1.00 0.00 N ATOM 1302 CA GLU A 114 -0.050 -2.529 8.819 1.00 0.00 C ATOM 1303 C GLU A 114 -1.499 -2.232 8.476 1.00 0.00 C ATOM 1304 O GLU A 114 -1.807 -1.226 7.821 1.00 0.00 O ATOM 1305 CB GLU A 114 0.273 -2.265 10.304 1.00 0.00 C ATOM 1306 CG GLU A 114 0.029 -3.492 11.192 1.00 0.00 C ATOM 1307 CD GLU A 114 0.489 -3.288 12.638 1.00 0.00 C ATOM 1308 OE1 GLU A 114 -0.279 -2.756 13.484 1.00 0.00 O ATOM 1309 OE2 GLU A 114 1.634 -3.661 12.964 1.00 0.00 O ATOM 0 H GLU A 114 0.474 -0.730 7.904 1.00 0.00 H new ATOM 0 HA GLU A 114 0.144 -3.588 8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.315 -1.957 10.396 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.337 -1.436 10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.034 -3.732 11.186 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.552 -4.349 10.768 1.00 0.00 H new ATOM 1316 N LEU A 115 -2.364 -3.140 8.901 1.00 0.00 N ATOM 1317 CA LEU A 115 -3.811 -2.958 8.931 1.00 0.00 C ATOM 1318 C LEU A 115 -4.180 -2.185 10.208 1.00 0.00 C ATOM 1319 O LEU A 115 -3.644 -2.470 11.274 1.00 0.00 O ATOM 1320 CB LEU A 115 -4.419 -4.363 8.835 1.00 0.00 C ATOM 1321 CG LEU A 115 -5.921 -4.500 8.516 1.00 0.00 C ATOM 1322 CD1 LEU A 115 -6.528 -3.459 7.576 1.00 0.00 C ATOM 1323 CD2 LEU A 115 -6.244 -5.849 7.876 1.00 0.00 C ATOM 0 H LEU A 115 -2.071 -4.054 9.246 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.204 -2.364 8.106 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.868 -4.910 8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.235 -4.868 9.783 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.358 -4.365 9.505 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.588 -3.670 7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.410 -2.465 8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.019 -3.498 6.613 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.312 -5.906 7.667 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.686 -5.953 6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.965 -6.652 8.558 1.00 0.00 H new ATOM 1335 N GLU A 116 -5.036 -1.167 10.099 1.00 0.00 N ATOM 1336 CA GLU A 116 -5.462 -0.307 11.206 1.00 0.00 C ATOM 1337 C GLU A 116 -6.548 -1.053 11.968 1.00 0.00 C ATOM 1338 O GLU A 116 -6.372 -1.451 13.116 1.00 0.00 O ATOM 1339 CB GLU A 116 -5.996 1.046 10.654 1.00 0.00 C ATOM 1340 CG GLU A 116 -5.766 2.279 11.544 1.00 0.00 C ATOM 1341 CD GLU A 116 -6.684 2.480 12.747 1.00 0.00 C ATOM 1342 OE1 GLU A 116 -7.883 2.132 12.699 1.00 0.00 O ATOM 1343 OE2 GLU A 116 -6.196 3.158 13.686 1.00 0.00 O ATOM 0 H GLU A 116 -5.466 -0.910 9.210 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.628 -0.081 11.870 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.529 1.230 9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.067 0.946 10.477 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -4.740 2.239 11.911 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.844 3.165 10.913 1.00 0.00 H new ATOM 1350 N LYS A 117 -7.671 -1.230 11.281 1.00 0.00 N ATOM 1351 CA LYS A 117 -8.956 -1.799 11.617 1.00 0.00 C ATOM 1352 C LYS A 117 -9.682 -1.954 10.286 1.00 0.00 C ATOM 1353 O LYS A 117 -9.063 -1.739 9.239 1.00 0.00 O ATOM 1354 CB LYS A 117 -9.711 -0.843 12.547 1.00 0.00 C ATOM 1355 CG LYS A 117 -9.283 -1.040 14.009 1.00 0.00 C ATOM 1356 CD LYS A 117 -10.342 -0.614 15.020 1.00 0.00 C ATOM 1357 CE LYS A 117 -10.628 0.879 14.882 1.00 0.00 C ATOM 1358 NZ LYS A 117 -11.497 1.349 15.972 1.00 0.00 N ATOM 0 H LYS A 117 -7.691 -0.920 10.309 1.00 0.00 H new ATOM 0 HA LYS A 117 -8.873 -2.753 12.137 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.522 0.187 12.245 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -10.784 -1.011 12.453 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.042 -2.091 14.169 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.370 -0.472 14.191 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.258 -1.184 14.861 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.000 -0.835 16.031 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -9.691 1.436 14.893 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -11.104 1.075 13.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -11.678 2.367 15.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -12.399 0.832 15.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -11.029 1.181 16.886 1.00 0.00 H new ATOM 1372 N GLY A 118 -10.972 -2.311 10.348 1.00 0.00 N ATOM 1373 CA GLY A 118 -11.982 -2.247 9.300 1.00 0.00 C ATOM 1374 C GLY A 118 -11.520 -1.511 8.053 1.00 0.00 C ATOM 1375 O GLY A 118 -11.783 -0.328 7.864 1.00 0.00 O ATOM 0 H GLY A 118 -11.363 -2.684 11.213 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -12.274 -3.261 9.026 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -12.871 -1.755 9.694 1.00 0.00 H new ATOM 1379 N ASN A 119 -10.815 -2.266 7.223 1.00 0.00 N ATOM 1380 CA ASN A 119 -10.442 -1.956 5.850 1.00 0.00 C ATOM 1381 C ASN A 119 -9.605 -0.677 5.683 1.00 0.00 C ATOM 1382 O ASN A 119 -9.691 -0.034 4.634 1.00 0.00 O ATOM 1383 CB ASN A 119 -11.690 -1.995 4.942 1.00 0.00 C ATOM 1384 CG ASN A 119 -12.561 -3.221 5.158 1.00 0.00 C ATOM 1385 OD1 ASN A 119 -11.951 -4.390 5.168 1.00 0.00 O flip ATOM 1386 ND2 ASN A 119 -13.775 -3.144 5.295 1.00 0.00 N flip ATOM 0 H ASN A 119 -10.463 -3.178 7.513 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.756 -2.739 5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -12.286 -1.100 5.120 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -11.372 -1.965 3.900 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -14.233 -2.232 5.285 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -14.329 -3.991 5.419 1.00 0.00 H new ATOM 1393 N HIS A 120 -8.716 -0.359 6.633 1.00 0.00 N ATOM 1394 CA HIS A 120 -7.849 0.822 6.587 1.00 0.00 C ATOM 1395 C HIS A 120 -6.370 0.430 6.768 1.00 0.00 C ATOM 1396 O HIS A 120 -6.044 -0.348 7.651 1.00 0.00 O ATOM 1397 CB HIS A 120 -8.355 1.798 7.656 1.00 0.00 C ATOM 1398 CG HIS A 120 -7.550 3.057 7.854 1.00 0.00 C ATOM 1399 ND1 HIS A 120 -7.603 3.861 8.971 1.00 0.00 N ATOM 1400 CD2 HIS A 120 -6.615 3.595 7.011 1.00 0.00 C ATOM 1401 CE1 HIS A 120 -6.689 4.831 8.819 1.00 0.00 C ATOM 1402 NE2 HIS A 120 -6.069 4.703 7.642 1.00 0.00 N ATOM 0 H HIS A 120 -8.578 -0.926 7.469 1.00 0.00 H new ATOM 0 HA HIS A 120 -7.893 1.310 5.613 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.376 2.083 7.402 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.399 1.268 8.608 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -8.225 3.741 9.770 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.350 3.224 6.032 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -6.484 5.605 9.544 1.00 0.00 H new ATOM 1410 N ILE A 121 -5.467 0.939 5.927 1.00 0.00 N ATOM 1411 CA ILE A 121 -4.042 0.609 5.820 1.00 0.00 C ATOM 1412 C ILE A 121 -3.170 1.784 6.289 1.00 0.00 C ATOM 1413 O ILE A 121 -3.239 2.876 5.724 1.00 0.00 O ATOM 1414 CB ILE A 121 -3.790 0.322 4.321 1.00 0.00 C ATOM 1415 CG1 ILE A 121 -4.753 -0.668 3.626 1.00 0.00 C ATOM 1416 CG2 ILE A 121 -2.375 -0.191 4.160 1.00 0.00 C ATOM 1417 CD1 ILE A 121 -4.587 -2.098 4.142 1.00 0.00 C ATOM 0 H ILE A 121 -5.734 1.651 5.247 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.786 -0.245 6.447 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.969 1.276 3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.781 -0.344 3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.576 -0.649 2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.181 -0.399 3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.672 0.562 4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.252 -1.106 4.739 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.285 -2.755 3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.567 -2.435 3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -4.791 -2.125 5.212 1.00 0.00 H new ATOM 1429 N LEU A 122 -2.273 1.547 7.248 1.00 0.00 N ATOM 1430 CA LEU A 122 -1.207 2.466 7.642 1.00 0.00 C ATOM 1431 C LEU A 122 -0.072 2.341 6.636 1.00 0.00 C ATOM 1432 O LEU A 122 0.948 1.698 6.922 1.00 0.00 O ATOM 1433 CB LEU A 122 -0.648 2.133 9.039 1.00 0.00 C ATOM 1434 CG LEU A 122 -1.522 2.453 10.252 1.00 0.00 C ATOM 1435 CD1 LEU A 122 -2.040 3.898 10.295 1.00 0.00 C ATOM 1436 CD2 LEU A 122 -2.693 1.489 10.254 1.00 0.00 C ATOM 0 H LEU A 122 -2.270 0.682 7.788 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.620 3.475 7.668 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.419 1.068 9.063 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.296 2.664 9.157 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.898 2.341 11.139 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.651 4.039 11.187 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -1.195 4.587 10.321 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.642 4.095 9.408 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.333 1.696 11.111 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.266 1.611 9.335 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.322 0.466 10.317 1.00 0.00 H new ATOM 1448 N ALA A 123 -0.249 2.873 5.432 1.00 0.00 N ATOM 1449 CA ALA A 123 0.848 3.078 4.502 1.00 0.00 C ATOM 1450 C ALA A 123 2.072 3.648 5.235 1.00 0.00 C ATOM 1451 O ALA A 123 1.967 4.645 5.950 1.00 0.00 O ATOM 1452 CB ALA A 123 0.425 4.030 3.393 1.00 0.00 C ATOM 0 H ALA A 123 -1.157 3.173 5.076 1.00 0.00 H new ATOM 0 HA ALA A 123 1.114 2.116 4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.255 4.176 2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.424 3.608 2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.140 4.989 3.826 1.00 0.00 H new ATOM 1458 N LYS A 124 3.223 3.007 5.054 1.00 0.00 N ATOM 1459 CA LYS A 124 4.498 3.373 5.677 1.00 0.00 C ATOM 1460 C LYS A 124 5.397 4.120 4.697 1.00 0.00 C ATOM 1461 O LYS A 124 6.220 4.929 5.124 1.00 0.00 O ATOM 1462 CB LYS A 124 5.143 2.117 6.313 1.00 0.00 C ATOM 1463 CG LYS A 124 6.142 1.328 5.444 1.00 0.00 C ATOM 1464 CD LYS A 124 7.581 1.835 5.642 1.00 0.00 C ATOM 1465 CE LYS A 124 8.184 1.324 6.960 1.00 0.00 C ATOM 1466 NZ LYS A 124 8.826 2.388 7.765 1.00 0.00 N ATOM 0 H LYS A 124 3.300 2.189 4.449 1.00 0.00 H new ATOM 0 HA LYS A 124 4.330 4.080 6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 124 5.656 2.424 7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.343 1.439 6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 124 6.090 0.269 5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.864 1.419 4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 124 8.201 1.508 4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.587 2.925 5.637 1.00 0.00 H new ATOM 0 HE2 LYS A 124 7.399 0.855 7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 124 8.921 0.552 6.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.212 1.977 8.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.596 2.821 7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 8.122 3.114 8.005 1.00 0.00 H new ATOM 1480 N GLU A 125 5.224 3.868 3.394 1.00 0.00 N ATOM 1481 CA GLU A 125 6.138 4.351 2.358 1.00 0.00 C ATOM 1482 C GLU A 125 5.418 4.900 1.140 1.00 0.00 C ATOM 1483 O GLU A 125 5.788 5.968 0.668 1.00 0.00 O ATOM 1484 CB GLU A 125 7.134 3.224 1.984 1.00 0.00 C ATOM 1485 CG GLU A 125 6.488 2.011 1.272 1.00 0.00 C ATOM 1486 CD GLU A 125 7.367 0.752 1.223 1.00 0.00 C ATOM 1487 OE1 GLU A 125 7.226 -0.088 2.139 1.00 0.00 O ATOM 1488 OE2 GLU A 125 8.101 0.520 0.234 1.00 0.00 O ATOM 0 H GLU A 125 4.443 3.322 3.030 1.00 0.00 H new ATOM 0 HA GLU A 125 6.692 5.196 2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.908 3.639 1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.628 2.877 2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.554 1.766 1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.233 2.299 0.252 1.00 0.00 H new ATOM 1495 N VAL A 126 4.359 4.215 0.700 1.00 0.00 N ATOM 1496 CA VAL A 126 3.657 4.407 -0.558 1.00 0.00 C ATOM 1497 C VAL A 126 4.601 4.260 -1.767 1.00 0.00 C ATOM 1498 O VAL A 126 5.771 4.640 -1.781 1.00 0.00 O ATOM 1499 CB VAL A 126 2.922 5.756 -0.548 1.00 0.00 C ATOM 1500 CG1 VAL A 126 2.155 5.963 -1.870 1.00 0.00 C ATOM 1501 CG2 VAL A 126 1.903 5.876 0.590 1.00 0.00 C ATOM 0 H VAL A 126 3.948 3.464 1.254 1.00 0.00 H new ATOM 0 HA VAL A 126 2.910 3.620 -0.664 1.00 0.00 H new ATOM 0 HB VAL A 126 3.697 6.510 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 126 1.640 6.923 -1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.857 5.949 -2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 126 1.425 5.163 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.418 6.851 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 126 1.152 5.092 0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.413 5.771 1.548 1.00 0.00 H new ATOM 1511 N LEU A 127 4.056 3.694 -2.838 1.00 0.00 N ATOM 1512 CA LEU A 127 4.705 3.546 -4.119 1.00 0.00 C ATOM 1513 C LEU A 127 3.662 3.850 -5.191 1.00 0.00 C ATOM 1514 O LEU A 127 2.458 3.746 -4.951 1.00 0.00 O ATOM 1515 CB LEU A 127 5.217 2.100 -4.242 1.00 0.00 C ATOM 1516 CG LEU A 127 6.310 1.703 -3.229 1.00 0.00 C ATOM 1517 CD1 LEU A 127 6.446 0.184 -3.175 1.00 0.00 C ATOM 1518 CD2 LEU A 127 7.667 2.298 -3.590 1.00 0.00 C ATOM 0 H LEU A 127 3.110 3.312 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 127 5.553 4.222 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.372 1.421 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.607 1.954 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 127 6.005 2.096 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.220 -0.087 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 127 5.497 -0.256 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 127 6.718 -0.192 -4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.407 1.993 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 127 7.970 1.942 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.595 3.386 -3.604 1.00 0.00 H new ATOM 1530 N ALA A 128 4.109 4.175 -6.396 1.00 0.00 N ATOM 1531 CA ALA A 128 3.282 4.554 -7.538 1.00 0.00 C ATOM 1532 C ALA A 128 3.568 3.626 -8.731 1.00 0.00 C ATOM 1533 O ALA A 128 3.694 4.103 -9.858 1.00 0.00 O ATOM 1534 CB ALA A 128 3.569 6.030 -7.843 1.00 0.00 C ATOM 0 H ALA A 128 5.105 4.183 -6.616 1.00 0.00 H new ATOM 0 HA ALA A 128 2.220 4.442 -7.321 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.967 6.350 -8.694 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.319 6.637 -6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.626 6.154 -8.080 1.00 0.00 H new ATOM 1540 N LYS A 129 3.753 2.316 -8.468 1.00 0.00 N ATOM 1541 CA LYS A 129 4.382 1.295 -9.325 1.00 0.00 C ATOM 1542 C LYS A 129 5.231 1.912 -10.429 1.00 0.00 C ATOM 1543 O LYS A 129 4.981 1.742 -11.622 1.00 0.00 O ATOM 1544 CB LYS A 129 3.374 0.253 -9.852 1.00 0.00 C ATOM 1545 CG LYS A 129 2.983 -0.783 -8.769 1.00 0.00 C ATOM 1546 CD LYS A 129 3.205 -2.222 -9.233 1.00 0.00 C ATOM 1547 CE LYS A 129 2.206 -2.612 -10.337 1.00 0.00 C ATOM 1548 NZ LYS A 129 2.485 -3.948 -10.905 1.00 0.00 N ATOM 0 H LYS A 129 3.442 1.916 -7.583 1.00 0.00 H new ATOM 0 HA LYS A 129 5.070 0.740 -8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 129 2.478 0.763 -10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.804 -0.265 -10.709 1.00 0.00 H new ATOM 0 HG2 LYS A 129 3.568 -0.600 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 129 1.935 -0.648 -8.502 1.00 0.00 H new ATOM 0 HD2 LYS A 129 4.224 -2.334 -9.605 1.00 0.00 H new ATOM 0 HD3 LYS A 129 3.098 -2.900 -8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 129 1.195 -2.598 -9.930 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.240 -1.868 -11.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 1.785 -4.164 -11.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 3.439 -3.957 -11.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 2.427 -4.664 -10.153 1.00 0.00 H new