USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 369 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 117 THR OG1 : rot 180:sc= -0.453 USER MOD Set 1.2: A 121 ASN : amide:sc= -2.02 X(o=-2.5,f=-2.1!) USER MOD Set 2.1: A 80 MET CE :methyl 148:sc= -0.355 (180deg=-1.37!) USER MOD Set 2.2: A 89 CYS SG : rot 31:sc= -0.417 USER MOD Single : A 74 LYS NZ :NH3+ -169:sc= 1.28 (180deg=0.622) USER MOD Single : A 78 LYS NZ :NH3+ -138:sc= 1.23 (180deg=1.05) USER MOD Single : A 79 CYS SG : rot -15:sc= -1.76! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.21) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.13 K(o=1.1,f=-0.34) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0876 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 111 TYR OH : rot -131:sc= 0.22 USER MOD Single : A 113 ASN : amide:sc= -0.0307 K(o=-0.031,f=-1.1) USER MOD Single : A 123 LYS NZ :NH3+ -117:sc= 0.868 (180deg=-1.62) USER MOD ----------------------------------------------------------------- ATOM 111 N TRP A 73 8.172 6.160 -1.032 1.00 0.00 N ATOM 112 CA TRP A 73 7.103 6.358 -0.088 1.00 0.00 C ATOM 113 C TRP A 73 7.634 6.755 1.260 1.00 0.00 C ATOM 114 O TRP A 73 8.720 6.320 1.649 1.00 0.00 O ATOM 115 CB TRP A 73 6.312 5.066 0.039 1.00 0.00 C ATOM 116 CG TRP A 73 5.645 4.663 -1.222 1.00 0.00 C ATOM 117 CD1 TRP A 73 5.929 3.579 -1.989 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.599 5.366 -1.882 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.089 3.540 -3.067 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.272 4.637 -3.030 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.899 6.545 -1.603 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.280 5.040 -3.900 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.918 6.944 -2.472 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.618 6.193 -3.605 1.00 0.00 C ATOM 0 HA TRP A 73 6.463 7.162 -0.450 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.981 4.268 0.359 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.560 5.183 0.819 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.703 2.856 -1.779 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.074 2.812 -3.782 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.127 7.127 -0.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.038 4.464 -4.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.370 7.854 -2.275 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.838 6.535 -4.269 1.00 0.00 H new ATOM 135 N LYS A 74 6.908 7.597 1.957 1.00 0.00 N ATOM 136 CA LYS A 74 7.249 7.939 3.313 1.00 0.00 C ATOM 137 C LYS A 74 6.036 7.770 4.206 1.00 0.00 C ATOM 138 O LYS A 74 4.904 7.635 3.723 1.00 0.00 O ATOM 139 CB LYS A 74 7.825 9.355 3.451 1.00 0.00 C ATOM 140 CG LYS A 74 6.895 10.477 3.016 1.00 0.00 C ATOM 141 CD LYS A 74 7.442 11.847 3.398 1.00 0.00 C ATOM 142 CE LYS A 74 7.366 12.106 4.909 1.00 0.00 C ATOM 143 NZ LYS A 74 5.984 12.237 5.385 1.00 0.00 N ATOM 0 H LYS A 74 6.071 8.060 1.602 1.00 0.00 H new ATOM 0 HA LYS A 74 8.038 7.255 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.102 9.517 4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.741 9.416 2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.751 10.431 1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.916 10.336 3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.479 11.926 3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.881 12.619 2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.854 11.289 5.440 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.917 13.016 5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.986 12.593 6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.468 12.903 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.517 11.308 5.355 1.00 0.00 H new ATOM 157 N VAL A 75 6.280 7.735 5.490 1.00 0.00 N ATOM 158 CA VAL A 75 5.234 7.641 6.476 1.00 0.00 C ATOM 159 C VAL A 75 4.326 8.869 6.385 1.00 0.00 C ATOM 160 O VAL A 75 4.810 9.993 6.246 1.00 0.00 O ATOM 161 CB VAL A 75 5.852 7.504 7.895 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.817 7.721 8.979 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.490 6.131 8.054 1.00 0.00 C ATOM 0 H VAL A 75 7.220 7.771 5.885 1.00 0.00 H new ATOM 0 HA VAL A 75 4.631 6.754 6.283 1.00 0.00 H new ATOM 0 HB VAL A 75 6.614 8.276 8.002 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.287 7.617 9.957 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.395 8.721 8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.023 6.981 8.878 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.921 6.043 9.051 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.732 5.360 7.917 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.274 6.006 7.308 1.00 0.00 H new ATOM 173 N GLY A 76 3.028 8.643 6.398 1.00 0.00 N ATOM 174 CA GLY A 76 2.091 9.732 6.312 1.00 0.00 C ATOM 175 C GLY A 76 1.776 10.106 4.881 1.00 0.00 C ATOM 176 O GLY A 76 1.292 11.212 4.609 1.00 0.00 O ATOM 0 H GLY A 76 2.605 7.718 6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.169 9.457 6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.497 10.600 6.831 1.00 0.00 H new ATOM 180 N ASP A 77 2.079 9.217 3.963 1.00 0.00 N ATOM 181 CA ASP A 77 1.768 9.439 2.555 1.00 0.00 C ATOM 182 C ASP A 77 0.504 8.767 2.167 1.00 0.00 C ATOM 183 O ASP A 77 0.119 7.744 2.752 1.00 0.00 O ATOM 184 CB ASP A 77 2.853 8.937 1.613 1.00 0.00 C ATOM 185 CG ASP A 77 3.835 9.987 1.177 1.00 0.00 C ATOM 186 OD1 ASP A 77 3.493 11.201 1.195 1.00 0.00 O ATOM 187 OD2 ASP A 77 4.949 9.620 0.738 1.00 0.00 O ATOM 0 H ASP A 77 2.542 8.329 4.159 1.00 0.00 H new ATOM 0 HA ASP A 77 1.683 10.521 2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.397 8.130 2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.380 8.511 0.728 1.00 0.00 H new ATOM 192 N LYS A 78 -0.133 9.322 1.181 1.00 0.00 N ATOM 193 CA LYS A 78 -1.302 8.744 0.616 1.00 0.00 C ATOM 194 C LYS A 78 -0.880 7.924 -0.555 1.00 0.00 C ATOM 195 O LYS A 78 -0.123 8.382 -1.420 1.00 0.00 O ATOM 196 CB LYS A 78 -2.278 9.804 0.124 1.00 0.00 C ATOM 197 CG LYS A 78 -2.759 10.761 1.169 1.00 0.00 C ATOM 198 CD LYS A 78 -3.597 10.094 2.240 1.00 0.00 C ATOM 199 CE LYS A 78 -4.182 11.154 3.155 1.00 0.00 C ATOM 200 NZ LYS A 78 -4.924 10.588 4.285 1.00 0.00 N ATOM 0 H LYS A 78 0.152 10.199 0.745 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.802 8.150 1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.800 10.372 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.142 9.304 -0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.900 11.243 1.635 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.346 11.546 0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.397 9.512 1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.986 9.399 2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.377 11.783 3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.845 11.799 2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.798 11.132 4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.163 9.597 4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.338 10.634 5.143 1.00 0.00 H new ATOM 214 N CYS A 79 -1.352 6.761 -0.595 1.00 0.00 N ATOM 215 CA CYS A 79 -1.053 5.873 -1.651 1.00 0.00 C ATOM 216 C CYS A 79 -2.258 5.057 -1.940 1.00 0.00 C ATOM 217 O CYS A 79 -3.286 5.195 -1.274 1.00 0.00 O ATOM 218 CB CYS A 79 0.110 4.969 -1.262 1.00 0.00 C ATOM 219 SG CYS A 79 -0.171 3.989 0.245 1.00 0.00 S ATOM 0 H CYS A 79 -1.974 6.375 0.115 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.767 6.438 -2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.319 4.290 -2.089 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.000 5.583 -1.121 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.189 4.472 0.893 1.00 0.00 H new ATOM 225 N MET A 80 -2.175 4.260 -2.931 1.00 0.00 N ATOM 226 CA MET A 80 -3.210 3.353 -3.218 1.00 0.00 C ATOM 227 C MET A 80 -2.636 1.998 -3.067 1.00 0.00 C ATOM 228 O MET A 80 -1.585 1.722 -3.622 1.00 0.00 O ATOM 229 CB MET A 80 -3.750 3.539 -4.619 1.00 0.00 C ATOM 230 CG MET A 80 -4.123 4.968 -4.944 1.00 0.00 C ATOM 231 SD MET A 80 -5.099 5.091 -6.432 1.00 0.00 S ATOM 232 CE MET A 80 -6.578 4.260 -5.849 1.00 0.00 C ATOM 0 H MET A 80 -1.381 4.218 -3.570 1.00 0.00 H new ATOM 0 HA MET A 80 -4.049 3.515 -2.541 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.003 3.196 -5.335 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.628 2.906 -4.747 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.681 5.394 -4.110 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.216 5.561 -5.057 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.453 4.689 -6.337 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.515 3.198 -6.085 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.666 4.388 -4.770 1.00 0.00 H new ATOM 242 N ALA A 81 -3.292 1.181 -2.329 1.00 0.00 N ATOM 243 CA ALA A 81 -2.815 -0.133 -2.044 1.00 0.00 C ATOM 244 C ALA A 81 -3.784 -1.126 -2.577 1.00 0.00 C ATOM 245 O ALA A 81 -4.979 -0.843 -2.654 1.00 0.00 O ATOM 246 CB ALA A 81 -2.677 -0.312 -0.551 1.00 0.00 C ATOM 0 H ALA A 81 -4.189 1.403 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.842 -0.279 -2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.312 -1.317 -0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.971 0.421 -0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.648 -0.170 -0.076 1.00 0.00 H new ATOM 252 N VAL A 82 -3.297 -2.264 -2.946 1.00 0.00 N ATOM 253 CA VAL A 82 -4.142 -3.312 -3.428 1.00 0.00 C ATOM 254 C VAL A 82 -4.615 -4.101 -2.237 1.00 0.00 C ATOM 255 O VAL A 82 -3.812 -4.733 -1.556 1.00 0.00 O ATOM 256 CB VAL A 82 -3.384 -4.245 -4.417 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.275 -5.374 -4.916 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.838 -3.448 -5.592 1.00 0.00 C ATOM 0 H VAL A 82 -2.304 -2.496 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.983 -2.882 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.551 -4.691 -3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.712 -6.005 -5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.613 -5.972 -4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.139 -4.955 -5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.311 -4.117 -6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.662 -2.968 -6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.149 -2.687 -5.226 1.00 0.00 H new ATOM 268 N TRP A 83 -5.907 -4.028 -1.980 1.00 0.00 N ATOM 269 CA TRP A 83 -6.511 -4.694 -0.867 1.00 0.00 C ATOM 270 C TRP A 83 -6.412 -6.165 -1.090 1.00 0.00 C ATOM 271 O TRP A 83 -6.967 -6.686 -2.061 1.00 0.00 O ATOM 272 CB TRP A 83 -7.981 -4.283 -0.712 1.00 0.00 C ATOM 273 CG TRP A 83 -8.596 -4.695 0.609 1.00 0.00 C ATOM 274 CD1 TRP A 83 -7.947 -4.832 1.794 1.00 0.00 C ATOM 275 CD2 TRP A 83 -9.974 -4.971 0.886 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.808 -5.196 2.781 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.063 -5.280 2.259 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.136 -4.993 0.121 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.260 -5.605 2.870 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.325 -5.318 0.741 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.369 -5.618 2.103 1.00 0.00 C ATOM 0 H TRP A 83 -6.564 -3.496 -2.551 1.00 0.00 H new ATOM 0 HA TRP A 83 -5.991 -4.413 0.049 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -8.059 -3.201 -0.816 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.559 -4.724 -1.524 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.888 -4.673 1.934 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.556 -5.376 3.753 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.108 -4.761 -0.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.305 -5.840 3.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.237 -5.341 0.163 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.317 -5.867 2.555 1.00 0.00 H new ATOM 292 N SER A 84 -5.731 -6.815 -0.197 1.00 0.00 N ATOM 293 CA SER A 84 -5.458 -8.242 -0.253 1.00 0.00 C ATOM 294 C SER A 84 -6.766 -9.063 -0.336 1.00 0.00 C ATOM 295 O SER A 84 -6.796 -10.168 -0.891 1.00 0.00 O ATOM 296 CB SER A 84 -4.632 -8.628 0.999 1.00 0.00 C ATOM 297 OG SER A 84 -4.190 -9.975 0.980 1.00 0.00 O ATOM 0 H SER A 84 -5.330 -6.362 0.625 1.00 0.00 H new ATOM 0 HA SER A 84 -4.890 -8.471 -1.154 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.767 -7.969 1.074 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.236 -8.463 1.891 1.00 0.00 H new ATOM 0 HG SER A 84 -3.674 -10.161 1.792 1.00 0.00 H new ATOM 303 N GLU A 85 -7.848 -8.483 0.139 1.00 0.00 N ATOM 304 CA GLU A 85 -9.112 -9.170 0.198 1.00 0.00 C ATOM 305 C GLU A 85 -9.883 -9.095 -1.122 1.00 0.00 C ATOM 306 O GLU A 85 -10.509 -10.071 -1.530 1.00 0.00 O ATOM 307 CB GLU A 85 -9.951 -8.581 1.298 1.00 0.00 C ATOM 308 CG GLU A 85 -9.286 -8.581 2.658 1.00 0.00 C ATOM 309 CD GLU A 85 -8.991 -9.966 3.188 1.00 0.00 C ATOM 310 OE1 GLU A 85 -9.918 -10.631 3.702 1.00 0.00 O ATOM 311 OE2 GLU A 85 -7.832 -10.409 3.143 1.00 0.00 O ATOM 0 H GLU A 85 -7.872 -7.527 0.492 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.901 -10.221 0.395 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.209 -7.556 1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.886 -9.138 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.354 -8.018 2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.928 -8.059 3.367 1.00 0.00 H new ATOM 318 N ASP A 86 -9.846 -7.947 -1.786 1.00 0.00 N ATOM 319 CA ASP A 86 -10.657 -7.789 -3.015 1.00 0.00 C ATOM 320 C ASP A 86 -9.788 -7.831 -4.262 1.00 0.00 C ATOM 321 O ASP A 86 -10.257 -8.140 -5.352 1.00 0.00 O ATOM 322 CB ASP A 86 -11.432 -6.463 -2.975 1.00 0.00 C ATOM 323 CG ASP A 86 -12.496 -6.332 -4.058 1.00 0.00 C ATOM 324 OD1 ASP A 86 -13.657 -6.742 -3.812 1.00 0.00 O ATOM 325 OD2 ASP A 86 -12.219 -5.787 -5.140 1.00 0.00 O ATOM 0 H ASP A 86 -9.291 -7.134 -1.520 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.359 -8.622 -3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.907 -6.362 -1.999 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.726 -5.639 -3.073 1.00 0.00 H new ATOM 330 N GLY A 87 -8.512 -7.588 -4.089 1.00 0.00 N ATOM 331 CA GLY A 87 -7.589 -7.592 -5.213 1.00 0.00 C ATOM 332 C GLY A 87 -7.593 -6.281 -5.992 1.00 0.00 C ATOM 333 O GLY A 87 -7.035 -6.197 -7.085 1.00 0.00 O ATOM 0 H GLY A 87 -8.083 -7.385 -3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.581 -7.788 -4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.848 -8.409 -5.886 1.00 0.00 H new ATOM 337 N GLN A 88 -8.225 -5.268 -5.444 1.00 0.00 N ATOM 338 CA GLN A 88 -8.293 -3.960 -6.094 1.00 0.00 C ATOM 339 C GLN A 88 -7.563 -2.917 -5.293 1.00 0.00 C ATOM 340 O GLN A 88 -7.250 -3.149 -4.135 1.00 0.00 O ATOM 341 CB GLN A 88 -9.730 -3.547 -6.369 1.00 0.00 C ATOM 342 CG GLN A 88 -10.391 -4.337 -7.483 1.00 0.00 C ATOM 343 CD GLN A 88 -9.723 -4.132 -8.834 1.00 0.00 C ATOM 344 OE1 GLN A 88 -10.088 -3.230 -9.588 1.00 0.00 O ATOM 345 NE2 GLN A 88 -8.748 -4.934 -9.146 1.00 0.00 N ATOM 0 H GLN A 88 -8.705 -5.316 -4.545 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.792 -4.045 -7.058 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.314 -3.666 -5.456 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.751 -2.488 -6.625 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.370 -5.397 -7.231 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.439 -4.047 -7.554 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.468 -5.672 -8.500 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.263 -4.825 -10.037 1.00 0.00 H new ATOM 354 N CYS A 89 -7.328 -1.770 -5.878 1.00 0.00 N ATOM 355 CA CYS A 89 -6.568 -0.737 -5.205 1.00 0.00 C ATOM 356 C CYS A 89 -7.462 0.336 -4.613 1.00 0.00 C ATOM 357 O CYS A 89 -8.402 0.807 -5.251 1.00 0.00 O ATOM 358 CB CYS A 89 -5.488 -0.147 -6.112 1.00 0.00 C ATOM 359 SG CYS A 89 -6.088 0.513 -7.675 1.00 0.00 S ATOM 0 H CYS A 89 -7.649 -1.524 -6.815 1.00 0.00 H new ATOM 0 HA CYS A 89 -6.057 -1.213 -4.368 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -4.975 0.648 -5.571 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -4.748 -0.919 -6.321 1.00 0.00 H new ATOM 0 HG CYS A 89 -7.299 0.961 -7.521 1.00 0.00 H new ATOM 365 N TYR A 90 -7.162 0.692 -3.392 1.00 0.00 N ATOM 366 CA TYR A 90 -7.923 1.644 -2.607 1.00 0.00 C ATOM 367 C TYR A 90 -6.972 2.641 -1.973 1.00 0.00 C ATOM 368 O TYR A 90 -5.776 2.354 -1.844 1.00 0.00 O ATOM 369 CB TYR A 90 -8.704 0.913 -1.516 1.00 0.00 C ATOM 370 CG TYR A 90 -9.774 -0.038 -2.024 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.440 -1.287 -2.535 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.113 0.306 -1.976 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.402 -2.156 -2.980 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.087 -0.560 -2.421 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.726 -1.789 -2.920 1.00 0.00 C ATOM 376 OH TYR A 90 -12.691 -2.657 -3.354 1.00 0.00 O ATOM 0 H TYR A 90 -6.354 0.318 -2.894 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.626 2.168 -3.255 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.001 0.351 -0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.174 1.653 -0.868 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.401 -1.579 -2.582 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.399 1.270 -1.583 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.122 -3.122 -3.375 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.128 -0.275 -2.378 1.00 0.00 H new ATOM 0 HH TYR A 90 -13.574 -2.247 -3.243 1.00 0.00 H new ATOM 386 N GLU A 91 -7.483 3.795 -1.599 1.00 0.00 N ATOM 387 CA GLU A 91 -6.679 4.847 -1.004 1.00 0.00 C ATOM 388 C GLU A 91 -6.311 4.473 0.429 1.00 0.00 C ATOM 389 O GLU A 91 -7.174 4.149 1.259 1.00 0.00 O ATOM 390 CB GLU A 91 -7.438 6.182 -1.035 1.00 0.00 C ATOM 391 CG GLU A 91 -6.659 7.369 -0.477 1.00 0.00 C ATOM 392 CD GLU A 91 -7.457 8.645 -0.509 1.00 0.00 C ATOM 393 OE1 GLU A 91 -7.454 9.356 -1.534 1.00 0.00 O ATOM 394 OE2 GLU A 91 -8.119 8.969 0.480 1.00 0.00 O ATOM 0 H GLU A 91 -8.470 4.033 -1.698 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.762 4.961 -1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.719 6.401 -2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.363 6.072 -0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.362 7.155 0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.743 7.502 -1.053 1.00 0.00 H new ATOM 401 N ALA A 92 -5.046 4.516 0.709 1.00 0.00 N ATOM 402 CA ALA A 92 -4.525 4.116 1.980 1.00 0.00 C ATOM 403 C ALA A 92 -3.383 5.010 2.371 1.00 0.00 C ATOM 404 O ALA A 92 -2.663 5.523 1.511 1.00 0.00 O ATOM 405 CB ALA A 92 -4.054 2.682 1.904 1.00 0.00 C ATOM 0 H ALA A 92 -4.335 4.835 0.051 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.310 4.198 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.657 2.378 2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.891 2.038 1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.273 2.595 1.148 1.00 0.00 H new ATOM 411 N GLU A 93 -3.215 5.201 3.637 1.00 0.00 N ATOM 412 CA GLU A 93 -2.161 6.022 4.135 1.00 0.00 C ATOM 413 C GLU A 93 -1.113 5.133 4.778 1.00 0.00 C ATOM 414 O GLU A 93 -1.443 4.160 5.460 1.00 0.00 O ATOM 415 CB GLU A 93 -2.715 7.051 5.114 1.00 0.00 C ATOM 416 CG GLU A 93 -1.708 8.082 5.592 1.00 0.00 C ATOM 417 CD GLU A 93 -2.355 9.112 6.467 1.00 0.00 C ATOM 418 OE1 GLU A 93 -2.897 10.095 5.947 1.00 0.00 O ATOM 419 OE2 GLU A 93 -2.366 8.945 7.697 1.00 0.00 O ATOM 0 H GLU A 93 -3.807 4.790 4.359 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.693 6.575 3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.548 7.570 4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.117 6.527 5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.909 7.585 6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.248 8.569 4.732 1.00 0.00 H new ATOM 426 N ILE A 94 0.120 5.420 4.486 1.00 0.00 N ATOM 427 CA ILE A 94 1.250 4.660 4.992 1.00 0.00 C ATOM 428 C ILE A 94 1.554 4.993 6.443 1.00 0.00 C ATOM 429 O ILE A 94 1.833 6.148 6.789 1.00 0.00 O ATOM 430 CB ILE A 94 2.499 4.915 4.142 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.179 4.592 2.695 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.663 4.052 4.639 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.223 5.029 1.724 1.00 0.00 C ATOM 0 H ILE A 94 0.385 6.198 3.882 1.00 0.00 H new ATOM 0 HA ILE A 94 0.975 3.607 4.932 1.00 0.00 H new ATOM 0 HB ILE A 94 2.794 5.961 4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.037 3.516 2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.233 5.064 2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.544 4.242 4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.882 4.300 5.678 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.392 2.999 4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.916 4.760 0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.351 6.110 1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.167 4.537 1.959 1.00 0.00 H new ATOM 445 N GLU A 95 1.537 3.972 7.255 1.00 0.00 N ATOM 446 CA GLU A 95 1.785 4.082 8.676 1.00 0.00 C ATOM 447 C GLU A 95 3.251 3.792 8.988 1.00 0.00 C ATOM 448 O GLU A 95 3.848 4.402 9.889 1.00 0.00 O ATOM 449 CB GLU A 95 0.925 3.067 9.408 1.00 0.00 C ATOM 450 CG GLU A 95 -0.560 3.230 9.178 1.00 0.00 C ATOM 451 CD GLU A 95 -1.117 4.492 9.781 1.00 0.00 C ATOM 452 OE1 GLU A 95 -1.391 4.502 11.006 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.301 5.479 9.065 1.00 0.00 O ATOM 0 H GLU A 95 1.347 3.019 6.946 1.00 0.00 H new ATOM 0 HA GLU A 95 1.544 5.095 8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.221 2.065 9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.126 3.141 10.477 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.758 3.229 8.106 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.083 2.372 9.600 1.00 0.00 H new ATOM 460 N GLU A 96 3.830 2.852 8.248 1.00 0.00 N ATOM 461 CA GLU A 96 5.204 2.433 8.466 1.00 0.00 C ATOM 462 C GLU A 96 5.752 1.793 7.196 1.00 0.00 C ATOM 463 O GLU A 96 4.991 1.235 6.406 1.00 0.00 O ATOM 464 CB GLU A 96 5.261 1.419 9.624 1.00 0.00 C ATOM 465 CG GLU A 96 6.666 1.012 10.020 1.00 0.00 C ATOM 466 CD GLU A 96 7.472 2.182 10.507 1.00 0.00 C ATOM 467 OE1 GLU A 96 8.062 2.915 9.679 1.00 0.00 O ATOM 468 OE2 GLU A 96 7.522 2.403 11.725 1.00 0.00 O ATOM 0 H GLU A 96 3.361 2.364 7.485 1.00 0.00 H new ATOM 0 HA GLU A 96 5.809 3.303 8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.760 1.846 10.492 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.702 0.527 9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.618 0.254 10.802 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.167 0.557 9.165 1.00 0.00 H new ATOM 475 N ILE A 97 7.050 1.888 7.004 1.00 0.00 N ATOM 476 CA ILE A 97 7.716 1.318 5.851 1.00 0.00 C ATOM 477 C ILE A 97 8.839 0.407 6.312 1.00 0.00 C ATOM 478 O ILE A 97 9.723 0.814 7.075 1.00 0.00 O ATOM 479 CB ILE A 97 8.306 2.423 4.956 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.206 3.351 4.500 1.00 0.00 C ATOM 481 CG2 ILE A 97 9.020 1.823 3.738 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.688 4.716 4.226 1.00 0.00 C ATOM 0 H ILE A 97 7.679 2.367 7.649 1.00 0.00 H new ATOM 0 HA ILE A 97 6.982 0.752 5.277 1.00 0.00 H new ATOM 0 HB ILE A 97 9.038 2.982 5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.745 2.946 3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.430 3.391 5.265 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.427 2.626 3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.831 1.176 4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.310 1.240 3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.854 5.338 3.902 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.124 5.137 5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.443 4.684 3.441 1.00 0.00 H new ATOM 494 N ASP A 98 8.800 -0.793 5.842 1.00 0.00 N ATOM 495 CA ASP A 98 9.790 -1.782 6.136 1.00 0.00 C ATOM 496 C ASP A 98 10.677 -1.885 4.939 1.00 0.00 C ATOM 497 O ASP A 98 10.368 -2.573 3.975 1.00 0.00 O ATOM 498 CB ASP A 98 9.145 -3.124 6.399 1.00 0.00 C ATOM 499 CG ASP A 98 10.141 -4.146 6.844 1.00 0.00 C ATOM 500 OD1 ASP A 98 10.825 -4.723 5.996 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.251 -4.389 8.073 1.00 0.00 O ATOM 0 H ASP A 98 8.059 -1.126 5.225 1.00 0.00 H new ATOM 0 HA ASP A 98 10.351 -1.499 7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.374 -3.013 7.162 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.649 -3.472 5.493 1.00 0.00 H new ATOM 506 N GLU A 99 11.711 -1.126 4.964 1.00 0.00 N ATOM 507 CA GLU A 99 12.669 -1.041 3.885 1.00 0.00 C ATOM 508 C GLU A 99 13.446 -2.339 3.691 1.00 0.00 C ATOM 509 O GLU A 99 14.047 -2.554 2.644 1.00 0.00 O ATOM 510 CB GLU A 99 13.587 0.108 4.152 1.00 0.00 C ATOM 511 CG GLU A 99 12.837 1.411 4.284 1.00 0.00 C ATOM 512 CD GLU A 99 13.683 2.497 4.822 1.00 0.00 C ATOM 513 OE1 GLU A 99 13.791 2.611 6.051 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.257 3.264 4.028 1.00 0.00 O ATOM 0 H GLU A 99 11.935 -0.521 5.754 1.00 0.00 H new ATOM 0 HA GLU A 99 12.130 -0.876 2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.149 -0.081 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.313 0.188 3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.451 1.705 3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.977 1.267 4.937 1.00 0.00 H new ATOM 521 N GLU A 100 13.433 -3.187 4.702 1.00 0.00 N ATOM 522 CA GLU A 100 14.123 -4.456 4.654 1.00 0.00 C ATOM 523 C GLU A 100 13.469 -5.363 3.618 1.00 0.00 C ATOM 524 O GLU A 100 14.151 -6.042 2.833 1.00 0.00 O ATOM 525 CB GLU A 100 14.042 -5.131 6.013 1.00 0.00 C ATOM 526 CG GLU A 100 14.847 -6.419 6.096 1.00 0.00 C ATOM 527 CD GLU A 100 14.665 -7.129 7.397 1.00 0.00 C ATOM 528 OE1 GLU A 100 15.373 -6.801 8.374 1.00 0.00 O ATOM 529 OE2 GLU A 100 13.815 -8.028 7.470 1.00 0.00 O ATOM 0 H GLU A 100 12.942 -3.013 5.579 1.00 0.00 H new ATOM 0 HA GLU A 100 15.165 -4.281 4.385 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.398 -4.439 6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.998 -5.348 6.241 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.552 -7.080 5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.904 -6.192 5.955 1.00 0.00 H new ATOM 536 N ASN A 101 12.158 -5.364 3.617 1.00 0.00 N ATOM 537 CA ASN A 101 11.403 -6.181 2.689 1.00 0.00 C ATOM 538 C ASN A 101 10.869 -5.352 1.559 1.00 0.00 C ATOM 539 O ASN A 101 10.435 -5.886 0.535 1.00 0.00 O ATOM 540 CB ASN A 101 10.226 -6.858 3.386 1.00 0.00 C ATOM 541 CG ASN A 101 10.636 -7.818 4.475 1.00 0.00 C ATOM 542 OD1 ASN A 101 10.832 -9.010 4.234 1.00 0.00 O ATOM 543 ND2 ASN A 101 10.790 -7.317 5.657 1.00 0.00 N ATOM 0 H ASN A 101 11.586 -4.806 4.251 1.00 0.00 H new ATOM 0 HA ASN A 101 12.085 -6.938 2.302 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.579 -6.092 3.814 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.636 -7.395 2.644 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.084 -7.914 6.430 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.618 -6.324 5.817 1.00 0.00 H new ATOM 550 N GLY A 102 10.912 -4.056 1.733 1.00 0.00 N ATOM 551 CA GLY A 102 10.347 -3.157 0.764 1.00 0.00 C ATOM 552 C GLY A 102 8.838 -3.163 0.861 1.00 0.00 C ATOM 553 O GLY A 102 8.133 -3.029 -0.141 1.00 0.00 O ATOM 0 H GLY A 102 11.335 -3.600 2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.725 -2.148 0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.655 -3.452 -0.239 1.00 0.00 H new ATOM 557 N THR A 103 8.331 -3.360 2.056 1.00 0.00 N ATOM 558 CA THR A 103 6.913 -3.393 2.250 1.00 0.00 C ATOM 559 C THR A 103 6.462 -2.231 3.102 1.00 0.00 C ATOM 560 O THR A 103 7.242 -1.661 3.856 1.00 0.00 O ATOM 561 CB THR A 103 6.474 -4.719 2.889 1.00 0.00 C ATOM 562 OG1 THR A 103 7.198 -4.933 4.120 1.00 0.00 O ATOM 563 CG2 THR A 103 6.727 -5.874 1.940 1.00 0.00 C ATOM 0 H THR A 103 8.884 -3.499 2.902 1.00 0.00 H new ATOM 0 HA THR A 103 6.442 -3.311 1.270 1.00 0.00 H new ATOM 0 HB THR A 103 5.406 -4.667 3.101 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.913 -5.779 4.524 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.410 -6.806 2.408 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.162 -5.720 1.021 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.791 -5.928 1.708 1.00 0.00 H new ATOM 571 N ALA A 104 5.230 -1.876 2.992 1.00 0.00 N ATOM 572 CA ALA A 104 4.697 -0.806 3.757 1.00 0.00 C ATOM 573 C ALA A 104 3.447 -1.248 4.458 1.00 0.00 C ATOM 574 O ALA A 104 2.655 -2.032 3.918 1.00 0.00 O ATOM 575 CB ALA A 104 4.413 0.388 2.876 1.00 0.00 C ATOM 0 H ALA A 104 4.561 -2.323 2.365 1.00 0.00 H new ATOM 0 HA ALA A 104 5.434 -0.511 4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.005 1.198 3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.337 0.719 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.691 0.110 2.108 1.00 0.00 H new ATOM 581 N ALA A 105 3.296 -0.788 5.653 1.00 0.00 N ATOM 582 CA ALA A 105 2.133 -1.037 6.422 1.00 0.00 C ATOM 583 C ALA A 105 1.238 0.140 6.211 1.00 0.00 C ATOM 584 O ALA A 105 1.617 1.288 6.506 1.00 0.00 O ATOM 585 CB ALA A 105 2.489 -1.203 7.876 1.00 0.00 C ATOM 0 H ALA A 105 3.994 -0.217 6.129 1.00 0.00 H new ATOM 0 HA ALA A 105 1.638 -1.959 6.118 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.584 -1.394 8.453 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.175 -2.043 7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.966 -0.293 8.240 1.00 0.00 H new ATOM 591 N ILE A 106 0.096 -0.110 5.684 1.00 0.00 N ATOM 592 CA ILE A 106 -0.781 0.938 5.265 1.00 0.00 C ATOM 593 C ILE A 106 -2.136 0.784 5.912 1.00 0.00 C ATOM 594 O ILE A 106 -2.522 -0.317 6.285 1.00 0.00 O ATOM 595 CB ILE A 106 -0.923 0.917 3.709 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.453 -0.439 3.213 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.381 1.262 3.020 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.918 -0.431 2.948 1.00 0.00 C ATOM 0 H ILE A 106 -0.266 -1.051 5.527 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.358 1.894 5.574 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.651 1.685 3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.926 -0.717 2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.228 -1.204 3.956 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.240 1.236 1.940 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.698 2.260 3.321 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.145 0.538 3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.230 -1.416 2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.452 -0.183 3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.145 0.312 2.184 1.00 0.00 H new ATOM 610 N THR A 107 -2.826 1.868 6.066 1.00 0.00 N ATOM 611 CA THR A 107 -4.147 1.867 6.604 1.00 0.00 C ATOM 612 C THR A 107 -5.112 2.462 5.590 1.00 0.00 C ATOM 613 O THR A 107 -4.914 3.576 5.107 1.00 0.00 O ATOM 614 CB THR A 107 -4.194 2.617 7.952 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.338 1.928 8.874 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.609 2.668 8.526 1.00 0.00 C ATOM 0 H THR A 107 -2.481 2.795 5.817 1.00 0.00 H new ATOM 0 HA THR A 107 -4.453 0.840 6.803 1.00 0.00 H new ATOM 0 HB THR A 107 -3.865 3.644 7.792 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.351 2.389 9.739 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.598 3.204 9.475 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.267 3.183 7.826 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.973 1.653 8.687 1.00 0.00 H new ATOM 624 N PHE A 108 -6.116 1.688 5.249 1.00 0.00 N ATOM 625 CA PHE A 108 -7.113 2.076 4.281 1.00 0.00 C ATOM 626 C PHE A 108 -7.985 3.167 4.823 1.00 0.00 C ATOM 627 O PHE A 108 -8.637 2.995 5.875 1.00 0.00 O ATOM 628 CB PHE A 108 -7.949 0.881 3.855 1.00 0.00 C ATOM 629 CG PHE A 108 -7.172 -0.123 3.068 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.899 0.124 1.736 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.712 -1.304 3.646 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.181 -0.775 0.981 1.00 0.00 C ATOM 633 CE2 PHE A 108 -5.994 -2.212 2.894 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.725 -1.947 1.557 1.00 0.00 C ATOM 0 H PHE A 108 -6.264 0.759 5.642 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.597 2.459 3.401 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.362 0.399 4.741 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.792 1.229 3.258 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.255 1.036 1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.918 -1.510 4.686 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.974 -0.566 -0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.642 -3.128 3.345 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.161 -2.655 0.968 1.00 0.00 H new ATOM 644 N ALA A 109 -8.018 4.258 4.105 1.00 0.00 N ATOM 645 CA ALA A 109 -8.720 5.439 4.517 1.00 0.00 C ATOM 646 C ALA A 109 -10.221 5.211 4.479 1.00 0.00 C ATOM 647 O ALA A 109 -10.744 4.597 3.540 1.00 0.00 O ATOM 648 CB ALA A 109 -8.327 6.607 3.624 1.00 0.00 C ATOM 0 H ALA A 109 -7.550 4.350 3.204 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.445 5.675 5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.862 7.503 3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.254 6.779 3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.583 6.377 2.590 1.00 0.00 H new ATOM 654 N GLY A 110 -10.899 5.623 5.520 1.00 0.00 N ATOM 655 CA GLY A 110 -12.336 5.517 5.565 1.00 0.00 C ATOM 656 C GLY A 110 -12.800 4.211 6.165 1.00 0.00 C ATOM 657 O GLY A 110 -13.643 4.191 7.065 1.00 0.00 O ATOM 0 H GLY A 110 -10.477 6.037 6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.740 6.345 6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.736 5.612 4.556 1.00 0.00 H new ATOM 661 N TYR A 111 -12.263 3.122 5.675 1.00 0.00 N ATOM 662 CA TYR A 111 -12.638 1.818 6.154 1.00 0.00 C ATOM 663 C TYR A 111 -11.984 1.543 7.501 1.00 0.00 C ATOM 664 O TYR A 111 -12.658 1.183 8.462 1.00 0.00 O ATOM 665 CB TYR A 111 -12.210 0.762 5.170 1.00 0.00 C ATOM 666 CG TYR A 111 -12.683 0.978 3.753 1.00 0.00 C ATOM 667 CD1 TYR A 111 -13.984 0.687 3.372 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.804 1.445 2.789 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.396 0.858 2.061 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.195 1.619 1.486 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.493 1.324 1.119 1.00 0.00 C ATOM 672 OH TYR A 111 -13.893 1.493 -0.187 1.00 0.00 O ATOM 0 H TYR A 111 -11.558 3.115 4.938 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.722 1.791 6.267 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.121 0.708 5.169 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.577 -0.205 5.516 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.686 0.322 4.108 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.787 1.677 3.070 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.412 0.630 1.775 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.492 1.984 0.752 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.240 1.075 -0.786 1.00 0.00 H new ATOM 682 N GLY A 112 -10.681 1.758 7.577 1.00 0.00 N ATOM 683 CA GLY A 112 -9.975 1.537 8.816 1.00 0.00 C ATOM 684 C GLY A 112 -9.367 0.147 8.942 1.00 0.00 C ATOM 685 O GLY A 112 -9.529 -0.511 9.970 1.00 0.00 O ATOM 0 H GLY A 112 -10.101 2.081 6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.182 2.279 8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.661 1.699 9.647 1.00 0.00 H new ATOM 689 N ASN A 113 -8.705 -0.317 7.903 1.00 0.00 N ATOM 690 CA ASN A 113 -7.950 -1.584 7.977 1.00 0.00 C ATOM 691 C ASN A 113 -6.517 -1.310 7.717 1.00 0.00 C ATOM 692 O ASN A 113 -6.185 -0.263 7.183 1.00 0.00 O ATOM 693 CB ASN A 113 -8.395 -2.656 6.985 1.00 0.00 C ATOM 694 CG ASN A 113 -9.683 -3.351 7.322 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.108 -3.412 8.479 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.258 -3.963 6.339 1.00 0.00 N ATOM 0 H ASN A 113 -8.664 0.148 6.996 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.138 -1.974 8.978 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.496 -2.197 6.001 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.607 -3.405 6.908 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.095 -4.522 6.506 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.875 -3.887 5.397 1.00 0.00 H new ATOM 703 N ALA A 114 -5.682 -2.256 8.018 1.00 0.00 N ATOM 704 CA ALA A 114 -4.266 -2.096 7.858 1.00 0.00 C ATOM 705 C ALA A 114 -3.663 -3.378 7.340 1.00 0.00 C ATOM 706 O ALA A 114 -3.982 -4.467 7.840 1.00 0.00 O ATOM 707 CB ALA A 114 -3.624 -1.699 9.184 1.00 0.00 C ATOM 0 H ALA A 114 -5.963 -3.166 8.383 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.077 -1.302 7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.549 -1.581 9.047 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.051 -0.757 9.528 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.812 -2.475 9.926 1.00 0.00 H new ATOM 713 N GLU A 115 -2.821 -3.271 6.345 1.00 0.00 N ATOM 714 CA GLU A 115 -2.161 -4.433 5.811 1.00 0.00 C ATOM 715 C GLU A 115 -0.742 -4.094 5.417 1.00 0.00 C ATOM 716 O GLU A 115 -0.396 -2.909 5.264 1.00 0.00 O ATOM 717 CB GLU A 115 -2.918 -5.061 4.621 1.00 0.00 C ATOM 718 CG GLU A 115 -2.891 -4.308 3.302 1.00 0.00 C ATOM 719 CD GLU A 115 -3.359 -5.203 2.165 1.00 0.00 C ATOM 720 OE1 GLU A 115 -4.582 -5.309 1.926 1.00 0.00 O ATOM 721 OE2 GLU A 115 -2.501 -5.863 1.531 1.00 0.00 O ATOM 0 H GLU A 115 -2.577 -2.392 5.889 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.149 -5.182 6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.509 -6.057 4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.960 -5.190 4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.531 -3.428 3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.880 -3.953 3.100 1.00 0.00 H new ATOM 728 N VAL A 116 0.073 -5.107 5.309 1.00 0.00 N ATOM 729 CA VAL A 116 1.433 -4.966 4.875 1.00 0.00 C ATOM 730 C VAL A 116 1.494 -5.330 3.409 1.00 0.00 C ATOM 731 O VAL A 116 1.293 -6.494 3.028 1.00 0.00 O ATOM 732 CB VAL A 116 2.396 -5.876 5.687 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.820 -5.758 5.169 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.342 -5.524 7.167 1.00 0.00 C ATOM 0 H VAL A 116 -0.194 -6.068 5.524 1.00 0.00 H new ATOM 0 HA VAL A 116 1.754 -3.937 5.036 1.00 0.00 H new ATOM 0 HB VAL A 116 2.071 -6.909 5.561 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.475 -6.404 5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.853 -6.060 4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.156 -4.725 5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 116 3.023 -6.171 7.720 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.638 -4.484 7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.327 -5.664 7.538 1.00 0.00 H new ATOM 744 N THR A 117 1.739 -4.363 2.602 1.00 0.00 N ATOM 745 CA THR A 117 1.751 -4.555 1.185 1.00 0.00 C ATOM 746 C THR A 117 3.061 -3.983 0.614 1.00 0.00 C ATOM 747 O THR A 117 3.583 -2.992 1.137 1.00 0.00 O ATOM 748 CB THR A 117 0.479 -3.918 0.518 1.00 0.00 C ATOM 749 OG1 THR A 117 0.338 -4.344 -0.848 1.00 0.00 O ATOM 750 CG2 THR A 117 0.521 -2.402 0.573 1.00 0.00 C ATOM 0 H THR A 117 1.939 -3.408 2.900 1.00 0.00 H new ATOM 0 HA THR A 117 1.712 -5.620 0.957 1.00 0.00 H new ATOM 0 HB THR A 117 -0.383 -4.265 1.088 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.462 -3.934 -1.238 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.374 -1.996 0.103 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.564 -2.077 1.612 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.404 -2.043 0.044 1.00 0.00 H new ATOM 758 N PRO A 118 3.672 -4.654 -0.370 1.00 0.00 N ATOM 759 CA PRO A 118 4.920 -4.198 -0.981 1.00 0.00 C ATOM 760 C PRO A 118 4.764 -2.822 -1.638 1.00 0.00 C ATOM 761 O PRO A 118 3.677 -2.477 -2.117 1.00 0.00 O ATOM 762 CB PRO A 118 5.207 -5.266 -2.044 1.00 0.00 C ATOM 763 CG PRO A 118 3.904 -5.915 -2.296 1.00 0.00 C ATOM 764 CD PRO A 118 3.178 -5.885 -0.995 1.00 0.00 C ATOM 0 HA PRO A 118 5.719 -4.083 -0.249 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.608 -4.819 -2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 118 5.945 -5.986 -1.691 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.346 -5.385 -3.068 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.038 -6.939 -2.646 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.097 -5.860 -1.136 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.400 -6.763 -0.388 1.00 0.00 H new ATOM 772 N LEU A 119 5.847 -2.055 -1.663 1.00 0.00 N ATOM 773 CA LEU A 119 5.876 -0.710 -2.272 1.00 0.00 C ATOM 774 C LEU A 119 5.465 -0.758 -3.737 1.00 0.00 C ATOM 775 O LEU A 119 4.964 0.220 -4.279 1.00 0.00 O ATOM 776 CB LEU A 119 7.272 -0.085 -2.148 1.00 0.00 C ATOM 777 CG LEU A 119 7.836 0.039 -0.729 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.194 0.718 -0.740 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.873 0.763 0.198 1.00 0.00 C ATOM 0 H LEU A 119 6.740 -2.341 -1.262 1.00 0.00 H new ATOM 0 HA LEU A 119 5.160 -0.092 -1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.967 -0.679 -2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.242 0.910 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 119 7.965 -0.971 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.571 0.793 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.889 0.132 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 119 9.098 1.717 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.309 0.831 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.684 1.766 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.934 0.212 0.250 1.00 0.00 H new ATOM 791 N LEU A 120 5.684 -1.910 -4.363 1.00 0.00 N ATOM 792 CA LEU A 120 5.314 -2.139 -5.757 1.00 0.00 C ATOM 793 C LEU A 120 3.795 -2.050 -5.931 1.00 0.00 C ATOM 794 O LEU A 120 3.293 -1.640 -6.980 1.00 0.00 O ATOM 795 CB LEU A 120 5.847 -3.517 -6.229 1.00 0.00 C ATOM 796 CG LEU A 120 5.068 -4.776 -5.796 1.00 0.00 C ATOM 797 CD1 LEU A 120 3.982 -5.096 -6.795 1.00 0.00 C ATOM 798 CD2 LEU A 120 5.988 -5.957 -5.618 1.00 0.00 C ATOM 0 H LEU A 120 6.125 -2.714 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 120 5.768 -1.364 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.886 -3.506 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.872 -3.619 -5.874 1.00 0.00 H new ATOM 0 HG LEU A 120 4.605 -4.566 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.443 -5.987 -6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.289 -4.257 -6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.429 -5.275 -7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.408 -6.828 -5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.493 -6.170 -6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.729 -5.729 -4.852 1.00 0.00 H new ATOM 810 N ASN A 121 3.081 -2.423 -4.887 1.00 0.00 N ATOM 811 CA ASN A 121 1.625 -2.450 -4.891 1.00 0.00 C ATOM 812 C ASN A 121 1.062 -1.120 -4.537 1.00 0.00 C ATOM 813 O ASN A 121 -0.154 -0.921 -4.574 1.00 0.00 O ATOM 814 CB ASN A 121 1.077 -3.507 -3.924 1.00 0.00 C ATOM 815 CG ASN A 121 1.002 -4.894 -4.500 1.00 0.00 C ATOM 816 OD1 ASN A 121 0.852 -5.078 -5.704 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.039 -5.871 -3.644 1.00 0.00 N ATOM 0 H ASN A 121 3.495 -2.719 -4.003 1.00 0.00 H new ATOM 0 HA ASN A 121 1.318 -2.710 -5.904 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.706 -3.529 -3.034 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.080 -3.206 -3.602 1.00 0.00 H new ATOM 0 HD21 ASN A 121 0.942 -6.834 -3.965 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.166 -5.675 -2.651 1.00 0.00 H new ATOM 824 N LEU A 122 1.921 -0.209 -4.172 1.00 0.00 N ATOM 825 CA LEU A 122 1.481 1.089 -3.835 1.00 0.00 C ATOM 826 C LEU A 122 1.558 1.978 -5.037 1.00 0.00 C ATOM 827 O LEU A 122 2.573 2.035 -5.733 1.00 0.00 O ATOM 828 CB LEU A 122 2.310 1.655 -2.695 1.00 0.00 C ATOM 829 CG LEU A 122 2.221 0.915 -1.375 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.059 1.620 -0.331 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.780 0.807 -0.919 1.00 0.00 C ATOM 0 H LEU A 122 2.928 -0.355 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 122 0.444 1.036 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.354 1.675 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 122 2.006 2.689 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 122 2.608 -0.095 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.990 1.082 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.099 1.648 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.693 2.638 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.738 0.273 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.363 1.806 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.201 0.265 -1.667 1.00 0.00 H new ATOM 843 N LYS A 123 0.489 2.653 -5.286 1.00 0.00 N ATOM 844 CA LYS A 123 0.418 3.565 -6.367 1.00 0.00 C ATOM 845 C LYS A 123 0.235 4.933 -5.816 1.00 0.00 C ATOM 846 O LYS A 123 -0.294 5.081 -4.706 1.00 0.00 O ATOM 847 CB LYS A 123 -0.756 3.265 -7.313 1.00 0.00 C ATOM 848 CG LYS A 123 -0.791 1.866 -7.859 1.00 0.00 C ATOM 849 CD LYS A 123 -1.756 1.704 -9.049 1.00 0.00 C ATOM 850 CE LYS A 123 -3.236 2.016 -8.742 1.00 0.00 C ATOM 851 NZ LYS A 123 -3.561 3.471 -8.675 1.00 0.00 N ATOM 0 H LYS A 123 -0.368 2.584 -4.737 1.00 0.00 H new ATOM 0 HA LYS A 123 1.341 3.475 -6.939 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.689 3.455 -6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.717 3.964 -8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 123 0.213 1.580 -8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.085 1.180 -7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -1.424 2.356 -9.857 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -1.686 0.680 -9.416 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -3.858 1.553 -9.508 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -3.502 1.553 -7.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -3.884 3.711 -7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -2.712 4.027 -8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -4.313 3.690 -9.359 1.00 0.00 H new ATOM 865 N PRO A 124 0.663 5.944 -6.538 1.00 0.00 N ATOM 866 CA PRO A 124 0.339 7.311 -6.203 1.00 0.00 C ATOM 867 C PRO A 124 -1.168 7.466 -6.276 1.00 0.00 C ATOM 868 O PRO A 124 -1.836 6.728 -7.032 1.00 0.00 O ATOM 869 CB PRO A 124 0.995 8.140 -7.311 1.00 0.00 C ATOM 870 CG PRO A 124 1.964 7.233 -7.983 1.00 0.00 C ATOM 871 CD PRO A 124 1.504 5.832 -7.725 1.00 0.00 C ATOM 0 HA PRO A 124 0.676 7.611 -5.211 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.250 8.507 -8.017 1.00 0.00 H new ATOM 0 HB3 PRO A 124 1.500 9.013 -6.898 1.00 0.00 H new ATOM 0 HG2 PRO A 124 2.003 7.435 -9.053 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.970 7.386 -7.593 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.946 5.434 -8.572 1.00 0.00 H new ATOM 0 HD3 PRO A 124 2.346 5.161 -7.555 1.00 0.00 H new