USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 541 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 67 SER OG : rot 140:sc=-0.00302 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.025 USER MOD Single : A 81 GLN : amide:sc= 0.171 K(o=0.17,f=-1.4) USER MOD Single : A 83 SER OG : rot 76:sc= 0.905 USER MOD Single : A 85 TYR OH : rot 38:sc= 0.573 USER MOD Single : A 94 SER OG : rot 24:sc= 1.17 USER MOD Single : A 97 MET CE :methyl 142:sc= -0.247 (180deg=-0.564) USER MOD Single : A 99 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0105) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -54:sc= 0.282 USER MOD Single : A 121 GLN : amide:sc= -3.79! C(o=-3.8!,f=-17!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.0785 K(o=-0.079,f=-1.5!) USER MOD Single : A 124 HIS :FLIP no HD1:sc= -1.62 F(o=-3,f=-1.6) USER MOD Single : A 125 SER OG : rot 25:sc= 0.505 USER MOD Single : A 129 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 85 N ARG A 66 -4.521 13.415 2.221 1.00 0.00 N ATOM 86 CA ARG A 66 -5.159 12.409 1.381 1.00 0.00 C ATOM 87 C ARG A 66 -4.592 11.021 1.669 1.00 0.00 C ATOM 88 O ARG A 66 -4.498 10.180 0.775 1.00 0.00 O ATOM 89 CB ARG A 66 -4.968 12.752 -0.098 1.00 0.00 C ATOM 90 CG ARG A 66 -5.420 14.158 -0.459 1.00 0.00 C ATOM 91 CD ARG A 66 -4.612 14.722 -1.618 1.00 0.00 C ATOM 92 NE ARG A 66 -3.365 15.334 -1.169 1.00 0.00 N ATOM 93 CZ ARG A 66 -2.557 16.024 -1.966 1.00 0.00 C ATOM 94 NH1 ARG A 66 -2.864 16.190 -3.245 1.00 0.00 N ATOM 95 NH2 ARG A 66 -1.439 16.551 -1.484 1.00 0.00 N ATOM 0 HA ARG A 66 -6.224 12.403 1.611 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.915 12.640 -0.355 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.522 12.034 -0.703 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.477 14.145 -0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.316 14.809 0.409 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.390 13.924 -2.327 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.209 15.463 -2.149 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.100 15.226 -0.190 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.723 15.787 -3.620 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.241 16.720 -3.854 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.199 16.426 -0.500 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.819 17.081 -2.097 1.00 0.00 H new ATOM 109 N SER A 67 -4.216 10.790 2.922 1.00 0.00 N ATOM 110 CA SER A 67 -3.655 9.506 3.327 1.00 0.00 C ATOM 111 C SER A 67 -4.451 8.905 4.481 1.00 0.00 C ATOM 112 O SER A 67 -5.117 9.620 5.230 1.00 0.00 O ATOM 113 CB SER A 67 -2.190 9.672 3.735 1.00 0.00 C ATOM 114 OG SER A 67 -1.566 8.414 3.921 1.00 0.00 O ATOM 0 H SER A 67 -4.289 11.475 3.675 1.00 0.00 H new ATOM 0 HA SER A 67 -3.713 8.827 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.658 10.236 2.969 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.129 10.251 4.656 1.00 0.00 H new ATOM 0 HG SER A 67 -0.657 8.443 3.557 1.00 0.00 H new ATOM 120 N VAL A 68 -4.376 7.585 4.619 1.00 0.00 N ATOM 121 CA VAL A 68 -5.088 6.886 5.682 1.00 0.00 C ATOM 122 C VAL A 68 -4.188 5.864 6.367 1.00 0.00 C ATOM 123 O VAL A 68 -3.303 5.281 5.739 1.00 0.00 O ATOM 124 CB VAL A 68 -6.341 6.171 5.142 1.00 0.00 C ATOM 125 CG1 VAL A 68 -7.319 7.177 4.556 1.00 0.00 C ATOM 126 CG2 VAL A 68 -5.953 5.126 4.107 1.00 0.00 C ATOM 0 H VAL A 68 -3.829 6.978 4.008 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.393 7.640 6.407 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.834 5.663 5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.198 6.653 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.621 7.884 5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.840 7.716 3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.850 4.631 3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.436 5.609 3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.294 4.388 4.564 1.00 0.00 H new ATOM 136 N PHE A 69 -4.420 5.649 7.658 1.00 0.00 N ATOM 137 CA PHE A 69 -3.630 4.697 8.429 1.00 0.00 C ATOM 138 C PHE A 69 -4.258 3.307 8.384 1.00 0.00 C ATOM 139 O PHE A 69 -5.408 3.120 8.782 1.00 0.00 O ATOM 140 CB PHE A 69 -3.502 5.165 9.880 1.00 0.00 C ATOM 141 CG PHE A 69 -2.952 4.114 10.802 1.00 0.00 C ATOM 142 CD1 PHE A 69 -3.790 3.179 11.386 1.00 0.00 C ATOM 143 CD2 PHE A 69 -1.596 4.063 11.085 1.00 0.00 C ATOM 144 CE1 PHE A 69 -3.288 2.211 12.235 1.00 0.00 C ATOM 145 CE2 PHE A 69 -1.088 3.097 11.933 1.00 0.00 C ATOM 146 CZ PHE A 69 -1.935 2.171 12.509 1.00 0.00 C ATOM 0 H PHE A 69 -5.149 6.122 8.192 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.637 4.642 7.984 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.856 6.042 9.915 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.482 5.477 10.241 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.849 3.207 11.175 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.929 4.786 10.638 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.952 1.487 12.683 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.029 3.066 12.145 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.540 1.416 13.173 1.00 0.00 H new ATOM 156 N VAL A 70 -3.494 2.334 7.897 1.00 0.00 N ATOM 157 CA VAL A 70 -3.974 0.961 7.800 1.00 0.00 C ATOM 158 C VAL A 70 -3.088 0.012 8.599 1.00 0.00 C ATOM 159 O VAL A 70 -1.877 0.208 8.694 1.00 0.00 O ATOM 160 CB VAL A 70 -4.027 0.486 6.336 1.00 0.00 C ATOM 161 CG1 VAL A 70 -4.443 -0.975 6.262 1.00 0.00 C ATOM 162 CG2 VAL A 70 -4.973 1.360 5.526 1.00 0.00 C ATOM 0 H VAL A 70 -2.540 2.472 7.564 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.982 0.948 8.214 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.029 0.576 5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.475 -1.292 5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.723 -1.586 6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.430 -1.095 6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.998 1.010 4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.975 1.304 5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.625 2.393 5.550 1.00 0.00 H new ATOM 172 N SER A 71 -3.701 -1.019 9.172 1.00 0.00 N ATOM 173 CA SER A 71 -2.969 -1.999 9.967 1.00 0.00 C ATOM 174 C SER A 71 -3.836 -3.219 10.259 1.00 0.00 C ATOM 175 O SER A 71 -4.989 -3.291 9.835 1.00 0.00 O ATOM 176 CB SER A 71 -2.494 -1.370 11.278 1.00 0.00 C ATOM 177 OG SER A 71 -3.518 -1.397 12.257 1.00 0.00 O ATOM 0 H SER A 71 -4.703 -1.198 9.101 1.00 0.00 H new ATOM 0 HA SER A 71 -2.101 -2.322 9.392 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.620 -1.907 11.647 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.184 -0.340 11.100 1.00 0.00 H new ATOM 0 HG SER A 71 -3.189 -0.991 13.086 1.00 0.00 H new ATOM 183 N GLY A 72 -3.272 -4.178 10.987 1.00 0.00 N ATOM 184 CA GLY A 72 -4.006 -5.383 11.324 1.00 0.00 C ATOM 185 C GLY A 72 -4.117 -6.341 10.155 1.00 0.00 C ATOM 186 O GLY A 72 -5.087 -7.092 10.047 1.00 0.00 O ATOM 0 H GLY A 72 -2.319 -4.141 11.349 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.511 -5.885 12.155 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.006 -5.113 11.664 1.00 0.00 H new ATOM 190 N PHE A 73 -3.122 -6.314 9.274 1.00 0.00 N ATOM 191 CA PHE A 73 -3.113 -7.185 8.104 1.00 0.00 C ATOM 192 C PHE A 73 -2.357 -8.478 8.395 1.00 0.00 C ATOM 193 O PHE A 73 -1.397 -8.507 9.166 1.00 0.00 O ATOM 194 CB PHE A 73 -2.477 -6.467 6.912 1.00 0.00 C ATOM 195 CG PHE A 73 -1.234 -5.702 7.266 1.00 0.00 C ATOM 196 CD1 PHE A 73 0.001 -6.330 7.281 1.00 0.00 C ATOM 197 CD2 PHE A 73 -1.300 -4.355 7.584 1.00 0.00 C ATOM 198 CE1 PHE A 73 1.146 -5.629 7.608 1.00 0.00 C ATOM 199 CE2 PHE A 73 -0.158 -3.648 7.911 1.00 0.00 C ATOM 200 CZ PHE A 73 1.067 -4.286 7.921 1.00 0.00 C ATOM 0 H PHE A 73 -2.312 -5.699 9.348 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.146 -7.435 7.860 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.236 -7.201 6.143 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.206 -5.781 6.481 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.069 -7.379 7.034 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.255 -3.851 7.576 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.102 -6.131 7.619 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.224 -2.599 8.158 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.961 -3.736 8.173 1.00 0.00 H new ATOM 210 N PRO A 74 -2.799 -9.576 7.764 1.00 0.00 N ATOM 211 CA PRO A 74 -2.179 -10.893 7.938 1.00 0.00 C ATOM 212 C PRO A 74 -0.658 -10.833 7.857 1.00 0.00 C ATOM 213 O PRO A 74 -0.081 -9.774 7.611 1.00 0.00 O ATOM 214 CB PRO A 74 -2.745 -11.709 6.773 1.00 0.00 C ATOM 215 CG PRO A 74 -4.063 -11.081 6.476 1.00 0.00 C ATOM 216 CD PRO A 74 -3.938 -9.616 6.831 1.00 0.00 C ATOM 0 HA PRO A 74 -2.395 -11.318 8.918 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.085 -11.673 5.906 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.859 -12.759 7.043 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.321 -11.203 5.424 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.856 -11.553 7.056 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.753 -9.005 5.948 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.849 -9.238 7.295 1.00 0.00 H new ATOM 224 N ARG A 75 -0.013 -11.977 8.066 1.00 0.00 N ATOM 225 CA ARG A 75 1.442 -12.053 8.018 1.00 0.00 C ATOM 226 C ARG A 75 1.921 -12.411 6.614 1.00 0.00 C ATOM 227 O ARG A 75 1.684 -13.516 6.128 1.00 0.00 O ATOM 228 CB ARG A 75 1.953 -13.088 9.021 1.00 0.00 C ATOM 229 CG ARG A 75 1.864 -12.630 10.468 1.00 0.00 C ATOM 230 CD ARG A 75 2.933 -11.597 10.791 1.00 0.00 C ATOM 231 NE ARG A 75 4.229 -12.215 11.055 1.00 0.00 N ATOM 232 CZ ARG A 75 5.308 -11.532 11.422 1.00 0.00 C ATOM 233 NH1 ARG A 75 5.245 -10.216 11.568 1.00 0.00 N ATOM 234 NH2 ARG A 75 6.452 -12.166 11.643 1.00 0.00 N ATOM 0 H ARG A 75 -0.475 -12.863 8.270 1.00 0.00 H new ATOM 0 HA ARG A 75 1.841 -11.073 8.282 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.380 -14.008 8.904 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.991 -13.326 8.787 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.878 -12.206 10.657 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.974 -13.489 11.130 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.027 -10.900 9.958 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.625 -11.016 11.660 1.00 0.00 H new ATOM 0 HE ARG A 75 4.311 -13.227 10.952 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.367 -9.726 11.399 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.075 -9.694 11.850 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.504 -13.179 11.531 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.280 -11.641 11.925 1.00 0.00 H new ATOM 248 N GLY A 76 2.596 -11.466 5.966 1.00 0.00 N ATOM 249 CA GLY A 76 3.097 -11.701 4.624 1.00 0.00 C ATOM 250 C GLY A 76 2.549 -10.706 3.619 1.00 0.00 C ATOM 251 O GLY A 76 3.161 -10.464 2.578 1.00 0.00 O ATOM 0 H GLY A 76 2.805 -10.543 6.346 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.186 -11.644 4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.832 -12.711 4.312 1.00 0.00 H new ATOM 255 N VAL A 77 1.393 -10.129 3.929 1.00 0.00 N ATOM 256 CA VAL A 77 0.763 -9.156 3.045 1.00 0.00 C ATOM 257 C VAL A 77 1.790 -8.182 2.479 1.00 0.00 C ATOM 258 O VAL A 77 2.524 -7.534 3.225 1.00 0.00 O ATOM 259 CB VAL A 77 -0.333 -8.359 3.778 1.00 0.00 C ATOM 260 CG1 VAL A 77 -0.919 -7.292 2.865 1.00 0.00 C ATOM 261 CG2 VAL A 77 -1.421 -9.294 4.285 1.00 0.00 C ATOM 0 H VAL A 77 0.873 -10.319 4.786 1.00 0.00 H new ATOM 0 HA VAL A 77 0.310 -9.718 2.228 1.00 0.00 H new ATOM 0 HB VAL A 77 0.117 -7.861 4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.691 -6.739 3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.131 -6.606 2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.355 -7.765 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.187 -8.715 4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.869 -9.821 3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.987 -10.017 4.976 1.00 0.00 H new ATOM 271 N ASP A 78 1.836 -8.083 1.155 1.00 0.00 N ATOM 272 CA ASP A 78 2.772 -7.187 0.487 1.00 0.00 C ATOM 273 C ASP A 78 2.045 -5.983 -0.103 1.00 0.00 C ATOM 274 O ASP A 78 0.935 -6.107 -0.620 1.00 0.00 O ATOM 275 CB ASP A 78 3.527 -7.932 -0.615 1.00 0.00 C ATOM 276 CG ASP A 78 4.164 -9.214 -0.115 1.00 0.00 C ATOM 277 OD1 ASP A 78 3.427 -10.199 0.096 1.00 0.00 O ATOM 278 OD2 ASP A 78 5.400 -9.231 0.067 1.00 0.00 O ATOM 0 H ASP A 78 1.236 -8.613 0.523 1.00 0.00 H new ATOM 0 HA ASP A 78 3.486 -6.830 1.229 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.840 -8.164 -1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.300 -7.282 -1.026 1.00 0.00 H new ATOM 283 N SER A 79 2.678 -4.817 -0.020 1.00 0.00 N ATOM 284 CA SER A 79 2.089 -3.589 -0.542 1.00 0.00 C ATOM 285 C SER A 79 1.286 -3.866 -1.809 1.00 0.00 C ATOM 286 O SER A 79 0.120 -3.487 -1.913 1.00 0.00 O ATOM 287 CB SER A 79 3.182 -2.558 -0.832 1.00 0.00 C ATOM 288 OG SER A 79 4.128 -2.506 0.221 1.00 0.00 O ATOM 0 H SER A 79 3.598 -4.697 0.403 1.00 0.00 H new ATOM 0 HA SER A 79 1.413 -3.190 0.214 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.686 -2.811 -1.765 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.732 -1.575 -0.969 1.00 0.00 H new ATOM 0 HG SER A 79 4.816 -1.841 0.010 1.00 0.00 H new ATOM 294 N ALA A 80 1.919 -4.531 -2.769 1.00 0.00 N ATOM 295 CA ALA A 80 1.265 -4.862 -4.029 1.00 0.00 C ATOM 296 C ALA A 80 -0.183 -5.286 -3.800 1.00 0.00 C ATOM 297 O ALA A 80 -1.110 -4.657 -4.309 1.00 0.00 O ATOM 298 CB ALA A 80 2.031 -5.962 -4.749 1.00 0.00 C ATOM 0 H ALA A 80 2.885 -4.851 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 80 1.261 -3.969 -4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.531 -6.199 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.047 -5.624 -4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.065 -6.853 -4.121 1.00 0.00 H new ATOM 304 N GLN A 81 -0.367 -6.356 -3.034 1.00 0.00 N ATOM 305 CA GLN A 81 -1.702 -6.863 -2.740 1.00 0.00 C ATOM 306 C GLN A 81 -2.600 -5.754 -2.203 1.00 0.00 C ATOM 307 O GLN A 81 -3.681 -5.502 -2.737 1.00 0.00 O ATOM 308 CB GLN A 81 -1.624 -8.008 -1.728 1.00 0.00 C ATOM 309 CG GLN A 81 -1.083 -9.302 -2.314 1.00 0.00 C ATOM 310 CD GLN A 81 -0.720 -10.318 -1.249 1.00 0.00 C ATOM 311 OE1 GLN A 81 0.334 -10.223 -0.618 1.00 0.00 O ATOM 312 NE2 GLN A 81 -1.592 -11.298 -1.043 1.00 0.00 N ATOM 0 H GLN A 81 0.391 -6.888 -2.606 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.134 -7.237 -3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.990 -7.703 -0.895 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.619 -8.191 -1.321 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.828 -9.733 -2.983 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.202 -9.083 -2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.453 -11.338 -1.589 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.401 -12.011 -0.339 1.00 0.00 H new ATOM 321 N LEU A 82 -2.147 -5.094 -1.143 1.00 0.00 N ATOM 322 CA LEU A 82 -2.910 -4.011 -0.532 1.00 0.00 C ATOM 323 C LEU A 82 -3.347 -2.993 -1.582 1.00 0.00 C ATOM 324 O LEU A 82 -4.540 -2.781 -1.796 1.00 0.00 O ATOM 325 CB LEU A 82 -2.077 -3.320 0.549 1.00 0.00 C ATOM 326 CG LEU A 82 -1.979 -4.049 1.889 1.00 0.00 C ATOM 327 CD1 LEU A 82 -0.798 -3.530 2.694 1.00 0.00 C ATOM 328 CD2 LEU A 82 -3.273 -3.893 2.676 1.00 0.00 C ATOM 0 H LEU A 82 -1.255 -5.290 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.802 -4.441 -0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.068 -3.173 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.498 -2.330 0.726 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.821 -5.110 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.744 -4.061 3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.123 -3.693 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.925 -2.464 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.186 -4.418 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.461 -2.835 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.100 -4.314 2.104 1.00 0.00 H new ATOM 340 N SER A 83 -2.372 -2.369 -2.235 1.00 0.00 N ATOM 341 CA SER A 83 -2.655 -1.373 -3.261 1.00 0.00 C ATOM 342 C SER A 83 -3.774 -1.847 -4.184 1.00 0.00 C ATOM 343 O SER A 83 -4.714 -1.106 -4.468 1.00 0.00 O ATOM 344 CB SER A 83 -1.395 -1.078 -4.077 1.00 0.00 C ATOM 345 OG SER A 83 -0.228 -1.249 -3.293 1.00 0.00 O ATOM 0 H SER A 83 -1.379 -2.536 -2.072 1.00 0.00 H new ATOM 0 HA SER A 83 -2.980 -0.458 -2.765 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.355 -1.739 -4.943 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.435 -0.057 -4.457 1.00 0.00 H new ATOM 0 HG SER A 83 -0.047 -2.206 -3.180 1.00 0.00 H new ATOM 351 N GLU A 84 -3.662 -3.088 -4.649 1.00 0.00 N ATOM 352 CA GLU A 84 -4.664 -3.661 -5.541 1.00 0.00 C ATOM 353 C GLU A 84 -6.027 -3.725 -4.859 1.00 0.00 C ATOM 354 O GLU A 84 -7.039 -3.321 -5.432 1.00 0.00 O ATOM 355 CB GLU A 84 -4.238 -5.061 -5.988 1.00 0.00 C ATOM 356 CG GLU A 84 -4.783 -5.457 -7.350 1.00 0.00 C ATOM 357 CD GLU A 84 -4.854 -6.960 -7.536 1.00 0.00 C ATOM 358 OE1 GLU A 84 -5.367 -7.646 -6.627 1.00 0.00 O ATOM 359 OE2 GLU A 84 -4.397 -7.450 -8.590 1.00 0.00 O ATOM 0 H GLU A 84 -2.889 -3.714 -4.423 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.746 -3.017 -6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.149 -5.110 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.572 -5.787 -5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.779 -5.032 -7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.152 -5.028 -8.128 1.00 0.00 H new ATOM 366 N TYR A 85 -6.045 -4.235 -3.633 1.00 0.00 N ATOM 367 CA TYR A 85 -7.284 -4.355 -2.873 1.00 0.00 C ATOM 368 C TYR A 85 -7.929 -2.989 -2.663 1.00 0.00 C ATOM 369 O TYR A 85 -9.147 -2.879 -2.524 1.00 0.00 O ATOM 370 CB TYR A 85 -7.016 -5.019 -1.522 1.00 0.00 C ATOM 371 CG TYR A 85 -8.120 -4.804 -0.512 1.00 0.00 C ATOM 372 CD1 TYR A 85 -9.357 -5.418 -0.664 1.00 0.00 C ATOM 373 CD2 TYR A 85 -7.926 -3.988 0.596 1.00 0.00 C ATOM 374 CE1 TYR A 85 -10.369 -5.224 0.256 1.00 0.00 C ATOM 375 CE2 TYR A 85 -8.932 -3.789 1.522 1.00 0.00 C ATOM 376 CZ TYR A 85 -10.152 -4.409 1.347 1.00 0.00 C ATOM 377 OH TYR A 85 -11.157 -4.214 2.266 1.00 0.00 O ATOM 0 H TYR A 85 -5.216 -4.572 -3.144 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.972 -4.977 -3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.877 -6.089 -1.674 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.082 -4.631 -1.115 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.530 -6.058 -1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.972 -3.501 0.736 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -11.325 -5.708 0.122 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.764 -3.152 2.378 1.00 0.00 H new ATOM 0 HH TYR A 85 -11.648 -5.052 2.396 1.00 0.00 H new ATOM 387 N PHE A 86 -7.101 -1.949 -2.640 1.00 0.00 N ATOM 388 CA PHE A 86 -7.589 -0.588 -2.446 1.00 0.00 C ATOM 389 C PHE A 86 -8.036 0.023 -3.771 1.00 0.00 C ATOM 390 O PHE A 86 -8.908 0.892 -3.804 1.00 0.00 O ATOM 391 CB PHE A 86 -6.500 0.281 -1.813 1.00 0.00 C ATOM 392 CG PHE A 86 -6.347 0.065 -0.334 1.00 0.00 C ATOM 393 CD1 PHE A 86 -7.361 0.422 0.540 1.00 0.00 C ATOM 394 CD2 PHE A 86 -5.188 -0.493 0.182 1.00 0.00 C ATOM 395 CE1 PHE A 86 -7.223 0.225 1.901 1.00 0.00 C ATOM 396 CE2 PHE A 86 -5.045 -0.693 1.542 1.00 0.00 C ATOM 397 CZ PHE A 86 -6.063 -0.332 2.403 1.00 0.00 C ATOM 0 H PHE A 86 -6.090 -2.023 -2.753 1.00 0.00 H new ATOM 0 HA PHE A 86 -8.448 -0.628 -1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.549 0.073 -2.303 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.730 1.330 -1.997 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.270 0.859 0.153 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.388 -0.775 -0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -8.022 0.506 2.571 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.138 -1.131 1.931 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.952 -0.485 3.466 1.00 0.00 H new ATOM 407 N LEU A 87 -7.433 -0.437 -4.861 1.00 0.00 N ATOM 408 CA LEU A 87 -7.768 0.064 -6.190 1.00 0.00 C ATOM 409 C LEU A 87 -9.244 -0.161 -6.501 1.00 0.00 C ATOM 410 O LEU A 87 -9.779 0.397 -7.458 1.00 0.00 O ATOM 411 CB LEU A 87 -6.902 -0.621 -7.248 1.00 0.00 C ATOM 412 CG LEU A 87 -5.479 -0.083 -7.402 1.00 0.00 C ATOM 413 CD1 LEU A 87 -4.690 -0.932 -8.387 1.00 0.00 C ATOM 414 CD2 LEU A 87 -5.504 1.372 -7.850 1.00 0.00 C ATOM 0 H LEU A 87 -6.710 -1.156 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.572 1.136 -6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.844 -1.683 -7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.406 -0.538 -8.211 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.985 -0.136 -6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.680 -0.534 -8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.642 -1.959 -8.025 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.182 -0.913 -9.360 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.483 1.738 -7.954 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.017 1.449 -8.809 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.031 1.972 -7.108 1.00 0.00 H new ATOM 426 N ALA A 88 -9.897 -0.981 -5.683 1.00 0.00 N ATOM 427 CA ALA A 88 -11.312 -1.276 -5.869 1.00 0.00 C ATOM 428 C ALA A 88 -12.176 -0.069 -5.518 1.00 0.00 C ATOM 429 O ALA A 88 -13.357 -0.018 -5.861 1.00 0.00 O ATOM 430 CB ALA A 88 -11.715 -2.478 -5.027 1.00 0.00 C ATOM 0 H ALA A 88 -9.469 -1.452 -4.886 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.473 -1.511 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.774 -2.687 -5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.128 -3.346 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.532 -2.263 -3.974 1.00 0.00 H new ATOM 436 N PHE A 89 -11.579 0.900 -4.833 1.00 0.00 N ATOM 437 CA PHE A 89 -12.295 2.107 -4.434 1.00 0.00 C ATOM 438 C PHE A 89 -11.623 3.351 -5.007 1.00 0.00 C ATOM 439 O PHE A 89 -12.291 4.320 -5.367 1.00 0.00 O ATOM 440 CB PHE A 89 -12.360 2.206 -2.909 1.00 0.00 C ATOM 441 CG PHE A 89 -12.938 0.984 -2.253 1.00 0.00 C ATOM 442 CD1 PHE A 89 -12.128 -0.092 -1.927 1.00 0.00 C ATOM 443 CD2 PHE A 89 -14.291 0.911 -1.963 1.00 0.00 C ATOM 444 CE1 PHE A 89 -12.656 -1.218 -1.323 1.00 0.00 C ATOM 445 CE2 PHE A 89 -14.825 -0.212 -1.359 1.00 0.00 C ATOM 446 CZ PHE A 89 -14.007 -1.278 -1.040 1.00 0.00 C ATOM 0 H PHE A 89 -10.602 0.874 -4.542 1.00 0.00 H new ATOM 0 HA PHE A 89 -13.308 2.047 -4.831 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.356 2.376 -2.521 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.959 3.074 -2.634 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -11.072 -0.051 -2.147 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -14.936 1.741 -2.212 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.013 -2.049 -1.073 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -15.881 -0.256 -1.137 1.00 0.00 H new ATOM 0 HZ PHE A 89 -14.423 -2.157 -0.570 1.00 0.00 H new ATOM 456 N GLY A 90 -10.297 3.317 -5.088 1.00 0.00 N ATOM 457 CA GLY A 90 -9.556 4.447 -5.617 1.00 0.00 C ATOM 458 C GLY A 90 -8.085 4.137 -5.812 1.00 0.00 C ATOM 459 O GLY A 90 -7.569 3.137 -5.314 1.00 0.00 O ATOM 0 H GLY A 90 -9.722 2.527 -4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.990 4.748 -6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.659 5.294 -4.939 1.00 0.00 H new ATOM 463 N PRO A 91 -7.386 5.009 -6.554 1.00 0.00 N ATOM 464 CA PRO A 91 -5.956 4.843 -6.832 1.00 0.00 C ATOM 465 C PRO A 91 -5.089 5.162 -5.619 1.00 0.00 C ATOM 466 O PRO A 91 -5.330 6.141 -4.912 1.00 0.00 O ATOM 467 CB PRO A 91 -5.695 5.849 -7.956 1.00 0.00 C ATOM 468 CG PRO A 91 -6.723 6.910 -7.762 1.00 0.00 C ATOM 469 CD PRO A 91 -7.937 6.223 -7.179 1.00 0.00 C ATOM 0 HA PRO A 91 -5.708 3.815 -7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.687 6.259 -7.894 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.789 5.381 -8.936 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -6.357 7.688 -7.092 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.967 7.393 -8.708 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -8.442 6.855 -6.449 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.668 5.980 -7.950 1.00 0.00 H new ATOM 477 N VAL A 92 -4.080 4.331 -5.384 1.00 0.00 N ATOM 478 CA VAL A 92 -3.176 4.525 -4.256 1.00 0.00 C ATOM 479 C VAL A 92 -1.852 5.129 -4.712 1.00 0.00 C ATOM 480 O VAL A 92 -1.108 4.515 -5.476 1.00 0.00 O ATOM 481 CB VAL A 92 -2.898 3.199 -3.524 1.00 0.00 C ATOM 482 CG1 VAL A 92 -1.859 3.400 -2.431 1.00 0.00 C ATOM 483 CG2 VAL A 92 -4.185 2.628 -2.949 1.00 0.00 C ATOM 0 H VAL A 92 -3.867 3.516 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.669 5.213 -3.569 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.500 2.484 -4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.676 2.452 -1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.930 3.761 -2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.226 4.131 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.970 1.691 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.615 3.339 -2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.894 2.445 -3.756 1.00 0.00 H new ATOM 493 N ALA A 93 -1.564 6.336 -4.236 1.00 0.00 N ATOM 494 CA ALA A 93 -0.328 7.023 -4.592 1.00 0.00 C ATOM 495 C ALA A 93 0.891 6.182 -4.228 1.00 0.00 C ATOM 496 O ALA A 93 1.760 5.937 -5.065 1.00 0.00 O ATOM 497 CB ALA A 93 -0.260 8.378 -3.905 1.00 0.00 C ATOM 0 H ALA A 93 -2.170 6.858 -3.603 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.324 7.175 -5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.668 8.879 -4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.108 8.987 -4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.291 8.240 -2.824 1.00 0.00 H new ATOM 503 N SER A 94 0.950 5.744 -2.975 1.00 0.00 N ATOM 504 CA SER A 94 2.066 4.934 -2.499 1.00 0.00 C ATOM 505 C SER A 94 1.709 4.231 -1.193 1.00 0.00 C ATOM 506 O SER A 94 0.780 4.632 -0.492 1.00 0.00 O ATOM 507 CB SER A 94 3.307 5.805 -2.300 1.00 0.00 C ATOM 508 OG SER A 94 3.981 6.021 -3.528 1.00 0.00 O ATOM 0 H SER A 94 0.238 5.936 -2.270 1.00 0.00 H new ATOM 0 HA SER A 94 2.280 4.176 -3.252 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.017 6.763 -1.867 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.982 5.326 -1.591 1.00 0.00 H new ATOM 0 HG SER A 94 3.350 5.916 -4.270 1.00 0.00 H new ATOM 514 N VAL A 95 2.454 3.178 -0.872 1.00 0.00 N ATOM 515 CA VAL A 95 2.219 2.418 0.350 1.00 0.00 C ATOM 516 C VAL A 95 3.483 2.337 1.199 1.00 0.00 C ATOM 517 O VAL A 95 4.464 1.704 0.811 1.00 0.00 O ATOM 518 CB VAL A 95 1.731 0.991 0.038 1.00 0.00 C ATOM 519 CG1 VAL A 95 1.533 0.202 1.323 1.00 0.00 C ATOM 520 CG2 VAL A 95 0.445 1.034 -0.774 1.00 0.00 C ATOM 0 H VAL A 95 3.226 2.832 -1.442 1.00 0.00 H new ATOM 0 HA VAL A 95 1.444 2.945 0.907 1.00 0.00 H new ATOM 0 HB VAL A 95 2.493 0.487 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.188 -0.804 1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.478 0.142 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.791 0.701 1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.114 0.017 -0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.326 1.556 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.624 1.560 -1.712 1.00 0.00 H new ATOM 530 N VAL A 96 3.451 2.983 2.360 1.00 0.00 N ATOM 531 CA VAL A 96 4.594 2.983 3.266 1.00 0.00 C ATOM 532 C VAL A 96 4.415 1.953 4.375 1.00 0.00 C ATOM 533 O VAL A 96 3.632 2.155 5.303 1.00 0.00 O ATOM 534 CB VAL A 96 4.809 4.371 3.898 1.00 0.00 C ATOM 535 CG1 VAL A 96 6.016 4.356 4.823 1.00 0.00 C ATOM 536 CG2 VAL A 96 4.967 5.430 2.818 1.00 0.00 C ATOM 0 H VAL A 96 2.647 3.513 2.696 1.00 0.00 H new ATOM 0 HA VAL A 96 5.470 2.724 2.671 1.00 0.00 H new ATOM 0 HB VAL A 96 3.930 4.620 4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.152 5.345 5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.856 3.627 5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.906 4.085 4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.118 6.404 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.828 5.188 2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.069 5.458 2.201 1.00 0.00 H new ATOM 546 N MET A 97 5.148 0.849 4.274 1.00 0.00 N ATOM 547 CA MET A 97 5.072 -0.212 5.271 1.00 0.00 C ATOM 548 C MET A 97 6.231 -0.115 6.258 1.00 0.00 C ATOM 549 O MET A 97 7.379 0.085 5.863 1.00 0.00 O ATOM 550 CB MET A 97 5.080 -1.582 4.589 1.00 0.00 C ATOM 551 CG MET A 97 3.702 -2.053 4.155 1.00 0.00 C ATOM 552 SD MET A 97 3.704 -3.757 3.564 1.00 0.00 S ATOM 553 CE MET A 97 2.608 -4.529 4.752 1.00 0.00 C ATOM 0 H MET A 97 5.801 0.666 3.512 1.00 0.00 H new ATOM 0 HA MET A 97 4.139 -0.093 5.822 1.00 0.00 H new ATOM 0 HB2 MET A 97 5.732 -1.541 3.717 1.00 0.00 H new ATOM 0 HB3 MET A 97 5.507 -2.316 5.272 1.00 0.00 H new ATOM 0 HG2 MET A 97 3.011 -1.964 4.994 1.00 0.00 H new ATOM 0 HG3 MET A 97 3.331 -1.399 3.366 1.00 0.00 H new ATOM 0 HE1 MET A 97 1.987 -5.269 4.247 1.00 0.00 H new ATOM 0 HE2 MET A 97 3.198 -5.018 5.527 1.00 0.00 H new ATOM 0 HE3 MET A 97 1.971 -3.770 5.206 1.00 0.00 H new ATOM 563 N ASP A 98 5.922 -0.259 7.542 1.00 0.00 N ATOM 564 CA ASP A 98 6.938 -0.188 8.586 1.00 0.00 C ATOM 565 C ASP A 98 8.038 -1.216 8.343 1.00 0.00 C ATOM 566 O ASP A 98 7.796 -2.278 7.770 1.00 0.00 O ATOM 567 CB ASP A 98 6.305 -0.415 9.959 1.00 0.00 C ATOM 568 CG ASP A 98 7.155 0.138 11.087 1.00 0.00 C ATOM 569 OD1 ASP A 98 7.280 1.376 11.183 1.00 0.00 O ATOM 570 OD2 ASP A 98 7.695 -0.669 11.873 1.00 0.00 O ATOM 0 H ASP A 98 4.976 -0.426 7.885 1.00 0.00 H new ATOM 0 HA ASP A 98 7.383 0.807 8.560 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.322 0.055 9.985 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.152 -1.483 10.113 1.00 0.00 H new ATOM 575 N LYS A 99 9.250 -0.892 8.782 1.00 0.00 N ATOM 576 CA LYS A 99 10.390 -1.786 8.613 1.00 0.00 C ATOM 577 C LYS A 99 10.909 -2.266 9.964 1.00 0.00 C ATOM 578 O LYS A 99 11.442 -3.370 10.078 1.00 0.00 O ATOM 579 CB LYS A 99 11.510 -1.079 7.846 1.00 0.00 C ATOM 580 CG LYS A 99 12.017 0.178 8.532 1.00 0.00 C ATOM 581 CD LYS A 99 12.598 1.163 7.531 1.00 0.00 C ATOM 582 CE LYS A 99 14.064 0.872 7.249 1.00 0.00 C ATOM 583 NZ LYS A 99 14.232 -0.075 6.112 1.00 0.00 N ATOM 0 H LYS A 99 9.468 -0.016 9.258 1.00 0.00 H new ATOM 0 HA LYS A 99 10.059 -2.653 8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.342 -1.771 7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.150 -0.820 6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 99 11.200 0.651 9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 99 12.778 -0.088 9.266 1.00 0.00 H new ATOM 0 HD2 LYS A 99 12.031 1.115 6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 99 12.495 2.178 7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 99 14.583 1.804 7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 99 14.530 0.454 8.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.243 -0.169 5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.848 -1.005 6.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 13.723 0.287 5.281 1.00 0.00 H new ATOM 597 N ASP A 100 10.749 -1.432 10.985 1.00 0.00 N ATOM 598 CA ASP A 100 11.199 -1.773 12.330 1.00 0.00 C ATOM 599 C ASP A 100 10.656 -3.133 12.756 1.00 0.00 C ATOM 600 O ASP A 100 11.413 -4.017 13.158 1.00 0.00 O ATOM 601 CB ASP A 100 10.758 -0.699 13.326 1.00 0.00 C ATOM 602 CG ASP A 100 11.103 0.701 12.858 1.00 0.00 C ATOM 603 OD1 ASP A 100 12.087 0.850 12.103 1.00 0.00 O ATOM 604 OD2 ASP A 100 10.388 1.649 13.246 1.00 0.00 O ATOM 0 H ASP A 100 10.311 -0.514 10.907 1.00 0.00 H new ATOM 0 HA ASP A 100 12.288 -1.823 12.320 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.682 -0.772 13.482 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.233 -0.884 14.290 1.00 0.00 H new ATOM 609 N LYS A 101 9.340 -3.294 12.667 1.00 0.00 N ATOM 610 CA LYS A 101 8.695 -4.546 13.043 1.00 0.00 C ATOM 611 C LYS A 101 7.758 -5.028 11.940 1.00 0.00 C ATOM 612 O LYS A 101 7.773 -6.200 11.567 1.00 0.00 O ATOM 613 CB LYS A 101 7.915 -4.370 14.348 1.00 0.00 C ATOM 614 CG LYS A 101 8.791 -4.005 15.535 1.00 0.00 C ATOM 615 CD LYS A 101 9.353 -5.242 16.214 1.00 0.00 C ATOM 616 CE LYS A 101 9.640 -4.988 17.686 1.00 0.00 C ATOM 617 NZ LYS A 101 9.597 -6.244 18.485 1.00 0.00 N ATOM 0 H LYS A 101 8.699 -2.572 12.337 1.00 0.00 H new ATOM 0 HA LYS A 101 9.472 -5.296 13.189 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.162 -3.594 14.210 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.382 -5.294 14.571 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.610 -3.368 15.202 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.210 -3.427 16.253 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.645 -6.065 16.117 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.270 -5.549 15.711 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.621 -4.525 17.790 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.911 -4.281 18.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.798 -6.028 19.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.653 -6.673 18.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.310 -6.909 18.125 1.00 0.00 H new ATOM 631 N GLY A 102 6.943 -4.114 11.421 1.00 0.00 N ATOM 632 CA GLY A 102 6.012 -4.465 10.364 1.00 0.00 C ATOM 633 C GLY A 102 4.636 -4.812 10.897 1.00 0.00 C ATOM 634 O GLY A 102 4.140 -5.918 10.683 1.00 0.00 O ATOM 0 H GLY A 102 6.911 -3.137 11.714 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.929 -3.632 9.666 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.406 -5.313 9.803 1.00 0.00 H new ATOM 638 N VAL A 103 4.016 -3.864 11.594 1.00 0.00 N ATOM 639 CA VAL A 103 2.689 -4.075 12.159 1.00 0.00 C ATOM 640 C VAL A 103 1.722 -2.985 11.711 1.00 0.00 C ATOM 641 O VAL A 103 0.562 -2.961 12.124 1.00 0.00 O ATOM 642 CB VAL A 103 2.733 -4.107 13.698 1.00 0.00 C ATOM 643 CG1 VAL A 103 3.544 -5.298 14.185 1.00 0.00 C ATOM 644 CG2 VAL A 103 3.304 -2.806 14.242 1.00 0.00 C ATOM 0 H VAL A 103 4.412 -2.943 11.780 1.00 0.00 H new ATOM 0 HA VAL A 103 2.339 -5.040 11.793 1.00 0.00 H new ATOM 0 HB VAL A 103 1.714 -4.215 14.070 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.564 -5.304 15.275 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.088 -6.220 13.826 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.563 -5.225 13.804 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.328 -2.846 15.331 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.316 -2.666 13.862 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.678 -1.973 13.923 1.00 0.00 H new ATOM 654 N PHE A 104 2.206 -2.082 10.865 1.00 0.00 N ATOM 655 CA PHE A 104 1.385 -0.988 10.361 1.00 0.00 C ATOM 656 C PHE A 104 1.932 -0.462 9.037 1.00 0.00 C ATOM 657 O PHE A 104 3.069 -0.751 8.664 1.00 0.00 O ATOM 658 CB PHE A 104 1.324 0.146 11.386 1.00 0.00 C ATOM 659 CG PHE A 104 2.569 0.984 11.428 1.00 0.00 C ATOM 660 CD1 PHE A 104 3.623 0.642 12.260 1.00 0.00 C ATOM 661 CD2 PHE A 104 2.687 2.114 10.635 1.00 0.00 C ATOM 662 CE1 PHE A 104 4.770 1.412 12.301 1.00 0.00 C ATOM 663 CE2 PHE A 104 3.831 2.888 10.671 1.00 0.00 C ATOM 664 CZ PHE A 104 4.875 2.536 11.505 1.00 0.00 C ATOM 0 H PHE A 104 3.164 -2.086 10.514 1.00 0.00 H new ATOM 0 HA PHE A 104 0.379 -1.371 10.192 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.472 0.786 11.157 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.147 -0.278 12.375 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.547 -0.236 12.884 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.875 2.393 9.981 1.00 0.00 H new ATOM 0 HE1 PHE A 104 5.584 1.135 12.955 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.909 3.767 10.048 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.771 3.138 11.534 1.00 0.00 H new ATOM 674 N ALA A 105 1.113 0.310 8.330 1.00 0.00 N ATOM 675 CA ALA A 105 1.514 0.878 7.049 1.00 0.00 C ATOM 676 C ALA A 105 0.626 2.058 6.669 1.00 0.00 C ATOM 677 O ALA A 105 -0.588 2.024 6.872 1.00 0.00 O ATOM 678 CB ALA A 105 1.472 -0.188 5.964 1.00 0.00 C ATOM 0 H ALA A 105 0.168 0.556 8.623 1.00 0.00 H new ATOM 0 HA ALA A 105 2.536 1.244 7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.774 0.249 5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.154 -0.998 6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.459 -0.580 5.878 1.00 0.00 H new ATOM 684 N ILE A 106 1.239 3.100 6.117 1.00 0.00 N ATOM 685 CA ILE A 106 0.503 4.290 5.709 1.00 0.00 C ATOM 686 C ILE A 106 0.066 4.193 4.251 1.00 0.00 C ATOM 687 O ILE A 106 0.887 4.286 3.338 1.00 0.00 O ATOM 688 CB ILE A 106 1.346 5.565 5.897 1.00 0.00 C ATOM 689 CG1 ILE A 106 1.773 5.710 7.359 1.00 0.00 C ATOM 690 CG2 ILE A 106 0.564 6.789 5.444 1.00 0.00 C ATOM 691 CD1 ILE A 106 0.612 5.870 8.314 1.00 0.00 C ATOM 0 H ILE A 106 2.243 3.144 5.942 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.379 4.350 6.347 1.00 0.00 H new ATOM 0 HB ILE A 106 2.243 5.483 5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.353 4.834 7.648 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.432 6.573 7.453 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.173 7.682 5.583 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.306 6.686 4.390 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.348 6.877 6.034 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.989 5.967 9.332 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.044 6.762 8.050 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.036 4.996 8.249 1.00 0.00 H new ATOM 703 N VAL A 107 -1.233 4.006 4.040 1.00 0.00 N ATOM 704 CA VAL A 107 -1.781 3.899 2.693 1.00 0.00 C ATOM 705 C VAL A 107 -2.278 5.251 2.193 1.00 0.00 C ATOM 706 O VAL A 107 -3.213 5.824 2.752 1.00 0.00 O ATOM 707 CB VAL A 107 -2.939 2.886 2.637 1.00 0.00 C ATOM 708 CG1 VAL A 107 -3.581 2.884 1.258 1.00 0.00 C ATOM 709 CG2 VAL A 107 -2.447 1.495 3.007 1.00 0.00 C ATOM 0 H VAL A 107 -1.925 3.925 4.785 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.973 3.551 2.049 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.696 3.184 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.397 2.162 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.970 3.878 1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.836 2.611 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.278 0.791 2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.671 1.185 2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.038 1.510 4.017 1.00 0.00 H new ATOM 719 N GLU A 108 -1.647 5.755 1.137 1.00 0.00 N ATOM 720 CA GLU A 108 -2.026 7.040 0.563 1.00 0.00 C ATOM 721 C GLU A 108 -2.871 6.846 -0.693 1.00 0.00 C ATOM 722 O GLU A 108 -2.726 5.853 -1.405 1.00 0.00 O ATOM 723 CB GLU A 108 -0.780 7.863 0.230 1.00 0.00 C ATOM 724 CG GLU A 108 -1.083 9.306 -0.136 1.00 0.00 C ATOM 725 CD GLU A 108 0.160 10.174 -0.163 1.00 0.00 C ATOM 726 OE1 GLU A 108 0.645 10.551 0.924 1.00 0.00 O ATOM 727 OE2 GLU A 108 0.648 10.476 -1.273 1.00 0.00 O ATOM 0 H GLU A 108 -0.871 5.293 0.662 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.621 7.578 1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.106 7.848 1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.253 7.390 -0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.564 9.336 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.793 9.717 0.581 1.00 0.00 H new ATOM 734 N MET A 109 -3.755 7.803 -0.957 1.00 0.00 N ATOM 735 CA MET A 109 -4.624 7.738 -2.127 1.00 0.00 C ATOM 736 C MET A 109 -4.312 8.872 -3.099 1.00 0.00 C ATOM 737 O MET A 109 -3.682 9.863 -2.730 1.00 0.00 O ATOM 738 CB MET A 109 -6.092 7.803 -1.703 1.00 0.00 C ATOM 739 CG MET A 109 -6.533 6.621 -0.855 1.00 0.00 C ATOM 740 SD MET A 109 -8.278 6.224 -1.071 1.00 0.00 S ATOM 741 CE MET A 109 -8.165 4.656 -1.930 1.00 0.00 C ATOM 0 H MET A 109 -3.888 8.632 -0.377 1.00 0.00 H new ATOM 0 HA MET A 109 -4.442 6.790 -2.632 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.260 8.723 -1.144 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.717 7.853 -2.594 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.931 5.749 -1.113 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.342 6.841 0.195 1.00 0.00 H new ATOM 0 HE1 MET A 109 -9.167 4.280 -2.135 1.00 0.00 H new ATOM 0 HE2 MET A 109 -7.630 4.794 -2.870 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.629 3.939 -1.309 1.00 0.00 H new ATOM 751 N GLY A 110 -4.758 8.720 -4.342 1.00 0.00 N ATOM 752 CA GLY A 110 -4.516 9.739 -5.347 1.00 0.00 C ATOM 753 C GLY A 110 -4.950 11.117 -4.891 1.00 0.00 C ATOM 754 O GLY A 110 -4.126 11.924 -4.458 1.00 0.00 O ATOM 0 H GLY A 110 -5.283 7.910 -4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.454 9.758 -5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -5.049 9.477 -6.261 1.00 0.00 H new ATOM 758 N ASP A 111 -6.247 11.390 -4.988 1.00 0.00 N ATOM 759 CA ASP A 111 -6.789 12.682 -4.583 1.00 0.00 C ATOM 760 C ASP A 111 -7.662 12.538 -3.340 1.00 0.00 C ATOM 761 O ASP A 111 -7.851 11.436 -2.825 1.00 0.00 O ATOM 762 CB ASP A 111 -7.601 13.299 -5.723 1.00 0.00 C ATOM 763 CG ASP A 111 -6.781 13.479 -6.985 1.00 0.00 C ATOM 764 OD1 ASP A 111 -6.598 12.486 -7.720 1.00 0.00 O ATOM 765 OD2 ASP A 111 -6.322 14.612 -7.239 1.00 0.00 O ATOM 0 H ASP A 111 -6.942 10.734 -5.344 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.954 13.341 -4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -8.460 12.664 -5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -7.991 14.266 -5.406 1.00 0.00 H new ATOM 770 N VAL A 112 -8.191 13.660 -2.862 1.00 0.00 N ATOM 771 CA VAL A 112 -9.044 13.660 -1.679 1.00 0.00 C ATOM 772 C VAL A 112 -10.292 12.814 -1.902 1.00 0.00 C ATOM 773 O VAL A 112 -10.775 12.147 -0.988 1.00 0.00 O ATOM 774 CB VAL A 112 -9.467 15.089 -1.292 1.00 0.00 C ATOM 775 CG1 VAL A 112 -10.245 15.741 -2.426 1.00 0.00 C ATOM 776 CG2 VAL A 112 -10.288 15.073 -0.012 1.00 0.00 C ATOM 0 H VAL A 112 -8.044 14.581 -3.276 1.00 0.00 H new ATOM 0 HA VAL A 112 -8.458 13.231 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.568 15.680 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.536 16.750 -2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.619 15.787 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -11.138 15.154 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.578 16.091 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.182 14.467 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.693 14.649 0.797 1.00 0.00 H new ATOM 786 N GLY A 113 -10.812 12.847 -3.126 1.00 0.00 N ATOM 787 CA GLY A 113 -12.001 12.079 -3.448 1.00 0.00 C ATOM 788 C GLY A 113 -11.831 10.601 -3.160 1.00 0.00 C ATOM 789 O GLY A 113 -12.720 9.966 -2.594 1.00 0.00 O ATOM 0 H GLY A 113 -10.431 13.392 -3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.845 12.463 -2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -12.244 12.215 -4.502 1.00 0.00 H new ATOM 793 N ALA A 114 -10.686 10.051 -3.552 1.00 0.00 N ATOM 794 CA ALA A 114 -10.403 8.638 -3.333 1.00 0.00 C ATOM 795 C ALA A 114 -10.440 8.295 -1.847 1.00 0.00 C ATOM 796 O ALA A 114 -11.028 7.290 -1.447 1.00 0.00 O ATOM 797 CB ALA A 114 -9.051 8.272 -3.928 1.00 0.00 C ATOM 0 H ALA A 114 -9.940 10.563 -4.023 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.177 8.056 -3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -8.853 7.214 -3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -9.059 8.471 -5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.271 8.868 -3.454 1.00 0.00 H new ATOM 803 N ARG A 115 -9.808 9.135 -1.035 1.00 0.00 N ATOM 804 CA ARG A 115 -9.768 8.919 0.406 1.00 0.00 C ATOM 805 C ARG A 115 -11.174 8.935 0.999 1.00 0.00 C ATOM 806 O ARG A 115 -11.451 8.249 1.982 1.00 0.00 O ATOM 807 CB ARG A 115 -8.907 9.990 1.080 1.00 0.00 C ATOM 808 CG ARG A 115 -8.928 9.922 2.598 1.00 0.00 C ATOM 809 CD ARG A 115 -8.728 11.295 3.220 1.00 0.00 C ATOM 810 NE ARG A 115 -9.991 12.010 3.387 1.00 0.00 N ATOM 811 CZ ARG A 115 -10.145 13.052 4.196 1.00 0.00 C ATOM 812 NH1 ARG A 115 -9.120 13.499 4.909 1.00 0.00 N ATOM 813 NH2 ARG A 115 -11.325 13.649 4.294 1.00 0.00 N ATOM 0 H ARG A 115 -9.317 9.971 -1.350 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.327 7.939 0.588 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.878 9.888 0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.253 10.974 0.764 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.878 9.505 2.931 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.145 9.247 2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -8.242 11.186 4.190 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -8.059 11.883 2.592 1.00 0.00 H new ATOM 0 HE ARG A 115 -10.799 11.691 2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -8.211 13.042 4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -9.241 14.299 5.530 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -12.116 13.308 3.748 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -11.442 14.449 4.916 1.00 0.00 H new ATOM 827 N GLU A 116 -12.057 9.723 0.393 1.00 0.00 N ATOM 828 CA GLU A 116 -13.433 9.828 0.862 1.00 0.00 C ATOM 829 C GLU A 116 -14.168 8.501 0.696 1.00 0.00 C ATOM 830 O GLU A 116 -14.691 7.944 1.660 1.00 0.00 O ATOM 831 CB GLU A 116 -14.172 10.931 0.100 1.00 0.00 C ATOM 832 CG GLU A 116 -14.043 12.303 0.739 1.00 0.00 C ATOM 833 CD GLU A 116 -14.762 13.383 -0.047 1.00 0.00 C ATOM 834 OE1 GLU A 116 -15.977 13.568 0.176 1.00 0.00 O ATOM 835 OE2 GLU A 116 -14.110 14.042 -0.884 1.00 0.00 O ATOM 0 H GLU A 116 -11.844 10.297 -0.423 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.410 10.080 1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -13.788 10.977 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.228 10.669 0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -14.445 12.267 1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.988 12.562 0.824 1.00 0.00 H new ATOM 842 N ALA A 117 -14.202 8.000 -0.535 1.00 0.00 N ATOM 843 CA ALA A 117 -14.870 6.738 -0.828 1.00 0.00 C ATOM 844 C ALA A 117 -14.607 5.710 0.267 1.00 0.00 C ATOM 845 O ALA A 117 -15.533 5.245 0.932 1.00 0.00 O ATOM 846 CB ALA A 117 -14.417 6.202 -2.178 1.00 0.00 C ATOM 0 H ALA A 117 -13.775 8.449 -1.345 1.00 0.00 H new ATOM 0 HA ALA A 117 -15.943 6.924 -0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -14.924 5.259 -2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -14.663 6.924 -2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -13.339 6.039 -2.162 1.00 0.00 H new ATOM 852 N VAL A 118 -13.338 5.359 0.450 1.00 0.00 N ATOM 853 CA VAL A 118 -12.952 4.386 1.465 1.00 0.00 C ATOM 854 C VAL A 118 -13.545 4.744 2.823 1.00 0.00 C ATOM 855 O VAL A 118 -14.134 3.900 3.498 1.00 0.00 O ATOM 856 CB VAL A 118 -11.421 4.287 1.595 1.00 0.00 C ATOM 857 CG1 VAL A 118 -11.040 3.361 2.740 1.00 0.00 C ATOM 858 CG2 VAL A 118 -10.805 3.812 0.287 1.00 0.00 C ATOM 0 H VAL A 118 -12.559 5.734 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 118 -13.344 3.421 1.144 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.028 5.279 1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.954 3.304 2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -11.449 3.749 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -11.443 2.366 2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -9.722 3.748 0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.203 2.830 0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -11.048 4.518 -0.507 1.00 0.00 H new ATOM 868 N LEU A 119 -13.385 6.003 3.218 1.00 0.00 N ATOM 869 CA LEU A 119 -13.904 6.475 4.497 1.00 0.00 C ATOM 870 C LEU A 119 -15.411 6.257 4.586 1.00 0.00 C ATOM 871 O LEU A 119 -15.968 6.142 5.678 1.00 0.00 O ATOM 872 CB LEU A 119 -13.580 7.958 4.685 1.00 0.00 C ATOM 873 CG LEU A 119 -12.135 8.286 5.062 1.00 0.00 C ATOM 874 CD1 LEU A 119 -11.898 9.788 5.009 1.00 0.00 C ATOM 875 CD2 LEU A 119 -11.807 7.741 6.444 1.00 0.00 C ATOM 0 H LEU A 119 -12.900 6.715 2.671 1.00 0.00 H new ATOM 0 HA LEU A 119 -13.425 5.901 5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.821 8.482 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -14.236 8.358 5.458 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.474 7.808 4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.864 10.003 5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -12.091 10.151 4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -12.568 10.287 5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.775 7.984 6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -12.475 8.189 7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -11.936 6.659 6.448 1.00 0.00 H new ATOM 887 N SER A 120 -16.065 6.199 3.430 1.00 0.00 N ATOM 888 CA SER A 120 -17.508 5.996 3.378 1.00 0.00 C ATOM 889 C SER A 120 -17.843 4.519 3.188 1.00 0.00 C ATOM 890 O SER A 120 -18.741 4.170 2.423 1.00 0.00 O ATOM 891 CB SER A 120 -18.120 6.819 2.242 1.00 0.00 C ATOM 892 OG SER A 120 -19.534 6.844 2.334 1.00 0.00 O ATOM 0 H SER A 120 -15.619 6.290 2.517 1.00 0.00 H new ATOM 0 HA SER A 120 -17.931 6.328 4.326 1.00 0.00 H new ATOM 0 HB2 SER A 120 -17.732 7.837 2.277 1.00 0.00 H new ATOM 0 HB3 SER A 120 -17.822 6.397 1.282 1.00 0.00 H new ATOM 0 HG SER A 120 -19.876 5.926 2.371 1.00 0.00 H new ATOM 898 N GLN A 121 -17.113 3.659 3.889 1.00 0.00 N ATOM 899 CA GLN A 121 -17.331 2.220 3.798 1.00 0.00 C ATOM 900 C GLN A 121 -17.846 1.662 5.120 1.00 0.00 C ATOM 901 O GLN A 121 -17.403 2.072 6.193 1.00 0.00 O ATOM 902 CB GLN A 121 -16.035 1.511 3.402 1.00 0.00 C ATOM 903 CG GLN A 121 -16.255 0.130 2.804 1.00 0.00 C ATOM 904 CD GLN A 121 -16.398 -0.947 3.861 1.00 0.00 C ATOM 905 OE1 GLN A 121 -15.909 -0.803 4.982 1.00 0.00 O ATOM 906 NE2 GLN A 121 -17.072 -2.036 3.509 1.00 0.00 N ATOM 0 H GLN A 121 -16.365 3.933 4.526 1.00 0.00 H new ATOM 0 HA GLN A 121 -18.085 2.040 3.031 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -15.498 2.128 2.682 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.397 1.420 4.281 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -17.151 0.146 2.183 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -15.418 -0.116 2.150 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -17.461 -2.114 2.569 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -17.201 -2.795 4.179 1.00 0.00 H new ATOM 915 N SER A 122 -18.785 0.725 5.036 1.00 0.00 N ATOM 916 CA SER A 122 -19.364 0.114 6.226 1.00 0.00 C ATOM 917 C SER A 122 -18.294 -0.600 7.046 1.00 0.00 C ATOM 918 O SER A 122 -17.871 -0.112 8.093 1.00 0.00 O ATOM 919 CB SER A 122 -20.465 -0.874 5.834 1.00 0.00 C ATOM 920 OG SER A 122 -21.607 -0.195 5.341 1.00 0.00 O ATOM 0 H SER A 122 -19.161 0.373 4.156 1.00 0.00 H new ATOM 0 HA SER A 122 -19.797 0.907 6.837 1.00 0.00 H new ATOM 0 HB2 SER A 122 -20.089 -1.559 5.074 1.00 0.00 H new ATOM 0 HB3 SER A 122 -20.742 -1.477 6.699 1.00 0.00 H new ATOM 0 HG SER A 122 -22.295 -0.848 5.096 1.00 0.00 H new ATOM 926 N GLN A 123 -17.861 -1.759 6.560 1.00 0.00 N ATOM 927 CA GLN A 123 -16.840 -2.541 7.248 1.00 0.00 C ATOM 928 C GLN A 123 -15.772 -3.022 6.270 1.00 0.00 C ATOM 929 O GLN A 123 -16.071 -3.723 5.303 1.00 0.00 O ATOM 930 CB GLN A 123 -17.476 -3.739 7.956 1.00 0.00 C ATOM 931 CG GLN A 123 -17.911 -3.442 9.382 1.00 0.00 C ATOM 932 CD GLN A 123 -18.858 -4.489 9.934 1.00 0.00 C ATOM 933 OE1 GLN A 123 -19.485 -5.234 9.180 1.00 0.00 O ATOM 934 NE2 GLN A 123 -18.967 -4.552 11.256 1.00 0.00 N ATOM 0 H GLN A 123 -18.201 -2.177 5.694 1.00 0.00 H new ATOM 0 HA GLN A 123 -16.365 -1.899 7.990 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -18.341 -4.072 7.383 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -16.764 -4.564 7.967 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -17.030 -3.381 10.021 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -18.396 -2.466 9.414 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -18.429 -3.915 11.843 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -19.589 -5.237 11.684 1.00 0.00 H new ATOM 943 N HIS A 124 -14.525 -2.640 6.529 1.00 0.00 N ATOM 944 CA HIS A 124 -13.412 -3.032 5.672 1.00 0.00 C ATOM 945 C HIS A 124 -12.943 -4.445 6.004 1.00 0.00 C ATOM 946 O HIS A 124 -12.775 -4.796 7.172 1.00 0.00 O ATOM 947 CB HIS A 124 -12.252 -2.048 5.824 1.00 0.00 C ATOM 948 CG HIS A 124 -12.526 -0.702 5.226 1.00 0.00 C ATOM 949 ND1 HIS A 124 -12.539 0.530 5.786 1.00 0.00 N flip ATOM 950 CD2 HIS A 124 -12.834 -0.519 3.894 1.00 0.00 C flip ATOM 951 CE1 HIS A 124 -12.849 1.426 4.793 1.00 0.00 C flip ATOM 952 NE2 HIS A 124 -13.022 0.767 3.661 1.00 0.00 N flip ATOM 0 H HIS A 124 -14.260 -2.060 7.325 1.00 0.00 H new ATOM 0 HA HIS A 124 -13.758 -3.016 4.639 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -12.026 -1.927 6.883 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -11.364 -2.471 5.355 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -12.910 -1.305 3.157 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -12.937 2.495 4.917 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -13.260 1.181 2.760 1.00 0.00 H new ATOM 960 N SER A 125 -12.734 -5.253 4.969 1.00 0.00 N ATOM 961 CA SER A 125 -12.288 -6.629 5.151 1.00 0.00 C ATOM 962 C SER A 125 -11.536 -7.124 3.919 1.00 0.00 C ATOM 963 O SER A 125 -11.997 -6.962 2.788 1.00 0.00 O ATOM 964 CB SER A 125 -13.484 -7.541 5.433 1.00 0.00 C ATOM 965 OG SER A 125 -13.862 -7.479 6.797 1.00 0.00 O ATOM 0 H SER A 125 -12.867 -4.978 3.996 1.00 0.00 H new ATOM 0 HA SER A 125 -11.610 -6.656 6.004 1.00 0.00 H new ATOM 0 HB2 SER A 125 -14.325 -7.247 4.806 1.00 0.00 H new ATOM 0 HB3 SER A 125 -13.233 -8.568 5.168 1.00 0.00 H new ATOM 0 HG SER A 125 -13.573 -6.624 7.178 1.00 0.00 H new ATOM 971 N LEU A 126 -10.375 -7.728 4.146 1.00 0.00 N ATOM 972 CA LEU A 126 -9.557 -8.248 3.056 1.00 0.00 C ATOM 973 C LEU A 126 -9.865 -9.719 2.798 1.00 0.00 C ATOM 974 O LEU A 126 -8.959 -10.545 2.692 1.00 0.00 O ATOM 975 CB LEU A 126 -8.072 -8.075 3.380 1.00 0.00 C ATOM 976 CG LEU A 126 -7.115 -8.122 2.188 1.00 0.00 C ATOM 977 CD1 LEU A 126 -7.334 -6.923 1.280 1.00 0.00 C ATOM 978 CD2 LEU A 126 -5.671 -8.175 2.665 1.00 0.00 C ATOM 0 H LEU A 126 -9.979 -7.870 5.075 1.00 0.00 H new ATOM 0 HA LEU A 126 -9.794 -7.683 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -7.940 -7.120 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.781 -8.854 4.085 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.322 -9.027 1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.644 -6.974 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.359 -6.929 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.156 -6.005 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.004 -8.208 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.452 -7.288 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.521 -9.067 3.274 1.00 0.00 H new ATOM 990 N GLY A 127 -11.151 -10.040 2.694 1.00 0.00 N ATOM 991 CA GLY A 127 -11.556 -11.412 2.446 1.00 0.00 C ATOM 992 C GLY A 127 -11.001 -12.375 3.477 1.00 0.00 C ATOM 993 O GLY A 127 -9.916 -12.927 3.301 1.00 0.00 O ATOM 0 H GLY A 127 -11.920 -9.375 2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -12.644 -11.472 2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -11.220 -11.713 1.454 1.00 0.00 H new ATOM 997 N GLY A 128 -11.748 -12.577 4.558 1.00 0.00 N ATOM 998 CA GLY A 128 -11.307 -13.479 5.606 1.00 0.00 C ATOM 999 C GLY A 128 -10.784 -12.743 6.823 1.00 0.00 C ATOM 1000 O GLY A 128 -11.215 -13.001 7.947 1.00 0.00 O ATOM 0 H GLY A 128 -12.650 -12.132 4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -12.137 -14.120 5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -10.525 -14.130 5.215 1.00 0.00 H new ATOM 1004 N HIS A 129 -9.851 -11.823 6.600 1.00 0.00 N ATOM 1005 CA HIS A 129 -9.267 -11.047 7.688 1.00 0.00 C ATOM 1006 C HIS A 129 -9.810 -9.621 7.691 1.00 0.00 C ATOM 1007 O HIS A 129 -10.333 -9.144 6.684 1.00 0.00 O ATOM 1008 CB HIS A 129 -7.743 -11.024 7.566 1.00 0.00 C ATOM 1009 CG HIS A 129 -7.083 -12.272 8.067 1.00 0.00 C ATOM 1010 ND1 HIS A 129 -6.079 -12.266 9.012 1.00 0.00 N ATOM 1011 CD2 HIS A 129 -7.290 -13.572 7.748 1.00 0.00 C ATOM 1012 CE1 HIS A 129 -5.696 -13.507 9.253 1.00 0.00 C ATOM 1013 NE2 HIS A 129 -6.416 -14.319 8.499 1.00 0.00 N ATOM 0 H HIS A 129 -9.483 -11.597 5.676 1.00 0.00 H new ATOM 0 HA HIS A 129 -9.542 -11.524 8.629 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -7.473 -10.874 6.521 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -7.355 -10.170 8.121 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -8.008 -13.950 7.036 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -4.926 -13.807 9.948 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -6.336 -15.336 8.478 1.00 0.00 H new ATOM 1021 N ARG A 130 -9.683 -8.947 8.830 1.00 0.00 N ATOM 1022 CA ARG A 130 -10.163 -7.577 8.964 1.00 0.00 C ATOM 1023 C ARG A 130 -9.005 -6.586 8.897 1.00 0.00 C ATOM 1024 O ARG A 130 -7.847 -6.953 9.102 1.00 0.00 O ATOM 1025 CB ARG A 130 -10.919 -7.406 10.283 1.00 0.00 C ATOM 1026 CG ARG A 130 -11.971 -6.310 10.244 1.00 0.00 C ATOM 1027 CD ARG A 130 -13.021 -6.507 11.328 1.00 0.00 C ATOM 1028 NE ARG A 130 -12.614 -5.912 12.598 1.00 0.00 N ATOM 1029 CZ ARG A 130 -12.552 -4.602 12.809 1.00 0.00 C ATOM 1030 NH1 ARG A 130 -12.868 -3.755 11.840 1.00 0.00 N ATOM 1031 NH2 ARG A 130 -12.173 -4.137 13.993 1.00 0.00 N ATOM 0 H ARG A 130 -9.252 -9.327 9.673 1.00 0.00 H new ATOM 0 HA ARG A 130 -10.841 -7.373 8.135 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -11.399 -8.350 10.542 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -10.204 -7.184 11.076 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -11.492 -5.339 10.372 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -12.453 -6.301 9.266 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -13.963 -6.064 11.005 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -13.202 -7.573 11.468 1.00 0.00 H new ATOM 0 HE ARG A 130 -12.364 -6.536 13.365 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -13.160 -4.108 10.929 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -12.819 -2.750 12.005 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -11.929 -4.786 14.741 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -12.126 -3.131 14.154 1.00 0.00 H new ATOM 1045 N LEU A 131 -9.325 -5.330 8.609 1.00 0.00 N ATOM 1046 CA LEU A 131 -8.311 -4.285 8.514 1.00 0.00 C ATOM 1047 C LEU A 131 -8.709 -3.064 9.337 1.00 0.00 C ATOM 1048 O LEU A 131 -9.848 -2.603 9.270 1.00 0.00 O ATOM 1049 CB LEU A 131 -8.100 -3.883 7.053 1.00 0.00 C ATOM 1050 CG LEU A 131 -7.441 -4.932 6.157 1.00 0.00 C ATOM 1051 CD1 LEU A 131 -7.316 -4.414 4.732 1.00 0.00 C ATOM 1052 CD2 LEU A 131 -6.076 -5.322 6.706 1.00 0.00 C ATOM 0 H LEU A 131 -10.278 -5.010 8.437 1.00 0.00 H new ATOM 0 HA LEU A 131 -7.378 -4.681 8.914 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -9.068 -3.625 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -7.490 -2.980 7.030 1.00 0.00 H new ATOM 0 HG LEU A 131 -8.073 -5.820 6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -6.845 -5.174 4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -8.307 -4.186 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -6.707 -3.510 4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -5.622 -6.069 6.055 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -5.436 -4.441 6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -6.191 -5.735 7.708 1.00 0.00 H new ATOM 1064 N ARG A 132 -7.761 -2.544 10.111 1.00 0.00 N ATOM 1065 CA ARG A 132 -8.013 -1.376 10.946 1.00 0.00 C ATOM 1066 C ARG A 132 -7.708 -0.089 10.186 1.00 0.00 C ATOM 1067 O ARG A 132 -6.653 0.519 10.370 1.00 0.00 O ATOM 1068 CB ARG A 132 -7.167 -1.441 12.219 1.00 0.00 C ATOM 1069 CG ARG A 132 -7.499 -2.627 13.111 1.00 0.00 C ATOM 1070 CD ARG A 132 -6.607 -2.666 14.341 1.00 0.00 C ATOM 1071 NE ARG A 132 -7.134 -1.843 15.426 1.00 0.00 N ATOM 1072 CZ ARG A 132 -6.560 -1.745 16.620 1.00 0.00 C ATOM 1073 NH1 ARG A 132 -5.447 -2.416 16.881 1.00 0.00 N ATOM 1074 NH2 ARG A 132 -7.101 -0.975 17.556 1.00 0.00 N ATOM 0 H ARG A 132 -6.812 -2.913 10.177 1.00 0.00 H new ATOM 0 HA ARG A 132 -9.068 -1.376 11.218 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -6.114 -1.488 11.943 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -7.307 -0.520 12.786 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -8.543 -2.571 13.419 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -7.383 -3.552 12.546 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -6.507 -3.696 14.683 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -5.608 -2.319 14.076 1.00 0.00 H new ATOM 0 HE ARG A 132 -7.990 -1.314 15.258 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -5.029 -3.009 16.164 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -5.008 -2.339 17.799 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -7.958 -0.458 17.359 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -6.660 -0.900 18.473 1.00 0.00 H new ATOM 1088 N VAL A 133 -8.639 0.322 9.330 1.00 0.00 N ATOM 1089 CA VAL A 133 -8.470 1.537 8.543 1.00 0.00 C ATOM 1090 C VAL A 133 -9.108 2.735 9.237 1.00 0.00 C ATOM 1091 O VAL A 133 -10.272 2.687 9.635 1.00 0.00 O ATOM 1092 CB VAL A 133 -9.083 1.385 7.138 1.00 0.00 C ATOM 1093 CG1 VAL A 133 -8.850 2.642 6.314 1.00 0.00 C ATOM 1094 CG2 VAL A 133 -8.510 0.163 6.436 1.00 0.00 C ATOM 0 H VAL A 133 -9.518 -0.169 9.164 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.397 1.705 8.447 1.00 0.00 H new ATOM 0 HB VAL A 133 -10.159 1.244 7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -9.290 2.515 5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -9.314 3.494 6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -7.779 2.819 6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -8.954 0.071 5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.430 0.271 6.341 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.735 -0.730 7.019 1.00 0.00 H new ATOM 1104 N ARG A 134 -8.339 3.809 9.378 1.00 0.00 N ATOM 1105 CA ARG A 134 -8.829 5.021 10.025 1.00 0.00 C ATOM 1106 C ARG A 134 -8.108 6.254 9.488 1.00 0.00 C ATOM 1107 O ARG A 134 -6.952 6.194 9.069 1.00 0.00 O ATOM 1108 CB ARG A 134 -8.641 4.927 11.541 1.00 0.00 C ATOM 1109 CG ARG A 134 -7.184 4.904 11.973 1.00 0.00 C ATOM 1110 CD ARG A 134 -7.033 4.385 13.395 1.00 0.00 C ATOM 1111 NE ARG A 134 -7.173 5.450 14.384 1.00 0.00 N ATOM 1112 CZ ARG A 134 -6.246 6.375 14.604 1.00 0.00 C ATOM 1113 NH1 ARG A 134 -5.118 6.366 13.908 1.00 0.00 N ATOM 1114 NH2 ARG A 134 -6.447 7.312 15.522 1.00 0.00 N ATOM 0 H ARG A 134 -7.374 3.865 9.053 1.00 0.00 H new ATOM 0 HA ARG A 134 -9.892 5.117 9.802 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -9.138 5.774 12.014 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -9.133 4.025 11.905 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -6.611 4.275 11.292 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -6.767 5.909 11.905 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -7.783 3.616 13.582 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.057 3.913 13.507 1.00 0.00 H new ATOM 0 HE ARG A 134 -8.030 5.485 14.936 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -4.960 5.647 13.201 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -4.408 7.078 14.079 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -7.314 7.322 16.059 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -5.734 8.022 15.690 1.00 0.00 H new ATOM 1128 N PRO A 135 -8.806 7.399 9.500 1.00 0.00 N ATOM 1129 CA PRO A 135 -8.252 8.668 9.018 1.00 0.00 C ATOM 1130 C PRO A 135 -6.840 8.919 9.535 1.00 0.00 C ATOM 1131 O PRO A 135 -6.587 8.842 10.738 1.00 0.00 O ATOM 1132 CB PRO A 135 -9.220 9.713 9.578 1.00 0.00 C ATOM 1133 CG PRO A 135 -10.519 8.994 9.710 1.00 0.00 C ATOM 1134 CD PRO A 135 -10.188 7.544 9.986 1.00 0.00 C ATOM 0 HA PRO A 135 -8.164 8.687 7.932 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -8.878 10.093 10.541 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -9.308 10.570 8.910 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -11.114 9.416 10.520 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -11.108 9.089 8.798 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -10.265 7.312 11.048 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -10.868 6.872 9.463 1.00 0.00 H new ATOM 1142 N ARG A 136 -5.924 9.219 8.620 1.00 0.00 N ATOM 1143 CA ARG A 136 -4.537 9.480 8.985 1.00 0.00 C ATOM 1144 C ARG A 136 -4.457 10.295 10.273 1.00 0.00 C ATOM 1145 O ARG A 136 -3.954 9.818 11.289 1.00 0.00 O ATOM 1146 CB ARG A 136 -3.821 10.221 7.854 1.00 0.00 C ATOM 1147 CG ARG A 136 -2.421 10.686 8.222 1.00 0.00 C ATOM 1148 CD ARG A 136 -1.406 9.563 8.079 1.00 0.00 C ATOM 1149 NE ARG A 136 -0.064 10.069 7.806 1.00 0.00 N ATOM 1150 CZ ARG A 136 0.763 10.504 8.751 1.00 0.00 C ATOM 1151 NH1 ARG A 136 0.387 10.494 10.022 1.00 0.00 N ATOM 1152 NH2 ARG A 136 1.969 10.950 8.424 1.00 0.00 N ATOM 0 H ARG A 136 -6.117 9.287 7.621 1.00 0.00 H new ATOM 0 HA ARG A 136 -4.045 8.522 9.151 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -3.761 9.568 6.984 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -4.417 11.086 7.563 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -2.134 11.521 7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -2.416 11.054 9.248 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -1.391 8.970 8.993 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.713 8.897 7.272 1.00 0.00 H new ATOM 0 HE ARG A 136 0.256 10.090 6.838 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -0.539 10.152 10.277 1.00 0.00 H new ATOM 0 HH12 ARG A 136 1.024 10.829 10.745 1.00 0.00 H new ATOM 0 HH21 ARG A 136 2.262 10.959 7.447 1.00 0.00 H new ATOM 0 HH22 ARG A 136 2.603 11.284 9.150 1.00 0.00 H new