USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 454 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 125 TYR OH : rot -99:sc= 1.23 USER MOD Set 1.2: A 128 TYR OH : rot 165:sc= 0.666 USER MOD Set 2.1: A 107 SER OG : rot -79:sc= 0.845 USER MOD Set 2.2: A 122 TYR OH : rot 180:sc= 0.789 USER MOD Set 3.1: A 76 LYS NZ :NH3+ 143:sc= 2.46 (180deg=-0.078) USER MOD Set 3.2: A 118 TYR OH : rot 150:sc= 0.957 USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= -0.0213 (180deg=-0.175) USER MOD Single : A 77 LYS NZ :NH3+ -175:sc= 1.1 (180deg=0.96) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 156:sc= -2.07 (180deg=-3.42!) USER MOD Single : A 83 MET CE :methyl -122:sc= -0.204 (180deg=-2.03!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -168:sc= -1.37! (180deg=-1.58!) USER MOD Single : A 93 TYR OH : rot 165:sc= 0 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.059 F(o=-3.6!,f=-0.059) USER MOD Single : A 95 LYS NZ :NH3+ -109:sc= -2.13 (180deg=-4.22!) USER MOD Single : A 99 LYS NZ :NH3+ 177:sc= 0.856 (180deg=0.745) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0255 USER MOD Single : A 104 THR OG1 : rot -23:sc= 0.609 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 160:sc= -0.0639 (180deg=-0.45) USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 MET CE :methyl 163:sc= -0.0746 (180deg=-0.55) USER MOD Single : A 127 THR OG1 : rot 93:sc= 0.562 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 71 7.832 -7.440 -0.926 1.00 0.00 N ATOM 152 CA GLU A 71 7.545 -6.358 0.025 1.00 0.00 C ATOM 153 C GLU A 71 6.141 -6.402 0.647 1.00 0.00 C ATOM 154 O GLU A 71 5.753 -5.481 1.367 1.00 0.00 O ATOM 155 CB GLU A 71 7.811 -4.994 -0.650 1.00 0.00 C ATOM 156 CG GLU A 71 9.294 -4.711 -1.006 1.00 0.00 C ATOM 157 CD GLU A 71 9.946 -5.812 -1.839 1.00 0.00 C ATOM 158 OE1 GLU A 71 9.343 -6.224 -2.856 1.00 0.00 O ATOM 159 OE2 GLU A 71 10.983 -6.360 -1.405 1.00 0.00 O ATOM 0 HA GLU A 71 8.222 -6.504 0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.218 -4.936 -1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.456 -4.204 0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.354 -3.770 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.861 -4.581 -0.084 1.00 0.00 H new ATOM 166 N LYS A 72 5.423 -7.495 0.429 1.00 0.00 N ATOM 167 CA LYS A 72 4.100 -7.722 0.999 1.00 0.00 C ATOM 168 C LYS A 72 4.074 -7.521 2.522 1.00 0.00 C ATOM 169 O LYS A 72 3.133 -6.983 3.066 1.00 0.00 O ATOM 170 CB LYS A 72 3.539 -9.127 0.582 1.00 0.00 C ATOM 171 CG LYS A 72 4.507 -10.346 0.646 1.00 0.00 C ATOM 172 CD LYS A 72 4.895 -10.768 2.062 1.00 0.00 C ATOM 173 CE LYS A 72 5.834 -11.981 2.066 1.00 0.00 C ATOM 174 NZ LYS A 72 7.090 -11.737 1.306 1.00 0.00 N ATOM 0 H LYS A 72 5.748 -8.263 -0.159 1.00 0.00 H new ATOM 0 HA LYS A 72 3.437 -6.964 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.682 -9.347 1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.167 -9.049 -0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.040 -11.192 0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.413 -10.105 0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.380 -9.933 2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.995 -11.005 2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.082 -12.240 3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.315 -12.838 1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.757 -12.516 1.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.876 -11.684 0.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.516 -10.841 1.617 1.00 0.00 H new ATOM 188 N ALA A 73 5.165 -7.867 3.175 1.00 0.00 N ATOM 189 CA ALA A 73 5.240 -7.807 4.618 1.00 0.00 C ATOM 190 C ALA A 73 5.461 -6.381 5.107 1.00 0.00 C ATOM 191 O ALA A 73 5.194 -6.062 6.273 1.00 0.00 O ATOM 192 CB ALA A 73 6.333 -8.728 5.119 1.00 0.00 C ATOM 0 H ALA A 73 6.018 -8.195 2.723 1.00 0.00 H new ATOM 0 HA ALA A 73 4.285 -8.142 5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.382 -8.676 6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.115 -9.751 4.814 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.290 -8.420 4.697 1.00 0.00 H new ATOM 198 N ALA A 74 5.984 -5.546 4.241 1.00 0.00 N ATOM 199 CA ALA A 74 6.197 -4.153 4.558 1.00 0.00 C ATOM 200 C ALA A 74 4.921 -3.383 4.276 1.00 0.00 C ATOM 201 O ALA A 74 4.432 -2.630 5.122 1.00 0.00 O ATOM 202 CB ALA A 74 7.361 -3.594 3.751 1.00 0.00 C ATOM 0 H ALA A 74 6.273 -5.811 3.300 1.00 0.00 H new ATOM 0 HA ALA A 74 6.450 -4.052 5.613 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.507 -2.544 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.267 -4.153 3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.143 -3.685 2.687 1.00 0.00 H new ATOM 208 N VAL A 75 4.367 -3.640 3.103 1.00 0.00 N ATOM 209 CA VAL A 75 3.151 -3.001 2.623 1.00 0.00 C ATOM 210 C VAL A 75 1.978 -3.187 3.595 1.00 0.00 C ATOM 211 O VAL A 75 1.330 -2.214 3.990 1.00 0.00 O ATOM 212 CB VAL A 75 2.764 -3.541 1.219 1.00 0.00 C ATOM 213 CG1 VAL A 75 1.438 -2.981 0.769 1.00 0.00 C ATOM 214 CG2 VAL A 75 3.840 -3.194 0.200 1.00 0.00 C ATOM 0 H VAL A 75 4.758 -4.313 2.443 1.00 0.00 H new ATOM 0 HA VAL A 75 3.360 -1.934 2.553 1.00 0.00 H new ATOM 0 HB VAL A 75 2.676 -4.625 1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.192 -3.376 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.662 -3.268 1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.500 -1.894 0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.553 -3.580 -0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.953 -2.111 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.786 -3.642 0.503 1.00 0.00 H new ATOM 224 N LYS A 76 1.748 -4.424 4.025 1.00 0.00 N ATOM 225 CA LYS A 76 0.630 -4.739 4.911 1.00 0.00 C ATOM 226 C LYS A 76 0.742 -4.059 6.285 1.00 0.00 C ATOM 227 O LYS A 76 -0.255 -3.955 7.043 1.00 0.00 O ATOM 228 CB LYS A 76 0.453 -6.226 5.038 1.00 0.00 C ATOM 229 CG LYS A 76 0.154 -6.856 3.694 1.00 0.00 C ATOM 230 CD LYS A 76 0.280 -8.355 3.721 1.00 0.00 C ATOM 231 CE LYS A 76 -0.890 -9.055 4.389 1.00 0.00 C ATOM 232 NZ LYS A 76 -2.161 -8.782 3.680 1.00 0.00 N ATOM 0 H LYS A 76 2.323 -5.228 3.774 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.267 -4.327 4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.357 -6.668 5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.359 -6.441 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.856 -6.585 3.385 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.836 -6.450 2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.375 -8.721 2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.199 -8.624 4.243 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.708 -10.129 4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.971 -8.724 5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.755 -9.636 3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.664 -8.005 4.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.959 -8.513 2.696 1.00 0.00 H new ATOM 246 N LYS A 77 1.949 -3.601 6.626 1.00 0.00 N ATOM 247 CA LYS A 77 2.135 -2.841 7.838 1.00 0.00 C ATOM 248 C LYS A 77 1.476 -1.497 7.669 1.00 0.00 C ATOM 249 O LYS A 77 0.596 -1.122 8.468 1.00 0.00 O ATOM 250 CB LYS A 77 3.609 -2.645 8.209 1.00 0.00 C ATOM 251 CG LYS A 77 4.348 -3.910 8.593 1.00 0.00 C ATOM 252 CD LYS A 77 5.757 -3.585 9.083 1.00 0.00 C ATOM 253 CE LYS A 77 6.516 -4.833 9.526 1.00 0.00 C ATOM 254 NZ LYS A 77 6.817 -5.747 8.395 1.00 0.00 N ATOM 0 H LYS A 77 2.797 -3.748 6.078 1.00 0.00 H new ATOM 0 HA LYS A 77 1.682 -3.406 8.652 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.122 -2.185 7.365 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.668 -1.942 9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.798 -4.435 9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.402 -4.580 7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.311 -3.088 8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.698 -2.884 9.915 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.448 -4.536 10.007 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.928 -5.366 10.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.257 -6.616 8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.935 -5.987 7.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.470 -5.279 7.735 1.00 0.00 H new ATOM 268 N MET A 78 1.841 -0.819 6.590 1.00 0.00 N ATOM 269 CA MET A 78 1.327 0.501 6.289 1.00 0.00 C ATOM 270 C MET A 78 -0.134 0.471 5.923 1.00 0.00 C ATOM 271 O MET A 78 -0.878 1.362 6.324 1.00 0.00 O ATOM 272 CB MET A 78 2.140 1.200 5.200 1.00 0.00 C ATOM 273 CG MET A 78 3.447 1.783 5.693 1.00 0.00 C ATOM 274 SD MET A 78 3.171 3.067 6.936 1.00 0.00 S ATOM 275 CE MET A 78 4.864 3.553 7.300 1.00 0.00 C ATOM 0 H MET A 78 2.503 -1.173 5.900 1.00 0.00 H new ATOM 0 HA MET A 78 1.429 1.082 7.206 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.349 0.488 4.402 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.538 1.998 4.766 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.063 0.990 6.117 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.000 2.202 4.852 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.862 4.341 8.053 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.417 2.692 7.677 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.340 3.921 6.391 1.00 0.00 H new ATOM 285 N ALA A 79 -0.530 -0.563 5.192 1.00 0.00 N ATOM 286 CA ALA A 79 -1.912 -0.768 4.754 1.00 0.00 C ATOM 287 C ALA A 79 -2.877 -0.711 5.941 1.00 0.00 C ATOM 288 O ALA A 79 -3.748 0.138 6.021 1.00 0.00 O ATOM 289 CB ALA A 79 -2.025 -2.117 4.043 1.00 0.00 C ATOM 0 H ALA A 79 0.107 -1.296 4.880 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.183 0.031 4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.053 -2.271 3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.364 -2.128 3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.739 -2.915 4.728 1.00 0.00 H new ATOM 295 N LYS A 80 -2.658 -1.593 6.877 1.00 0.00 N ATOM 296 CA LYS A 80 -3.453 -1.673 8.095 1.00 0.00 C ATOM 297 C LYS A 80 -3.284 -0.453 8.996 1.00 0.00 C ATOM 298 O LYS A 80 -4.154 -0.144 9.794 1.00 0.00 O ATOM 299 CB LYS A 80 -3.230 -3.045 8.796 1.00 0.00 C ATOM 300 CG LYS A 80 -3.503 -3.163 10.318 1.00 0.00 C ATOM 301 CD LYS A 80 -2.413 -2.540 11.234 1.00 0.00 C ATOM 302 CE LYS A 80 -1.093 -3.332 11.286 1.00 0.00 C ATOM 303 NZ LYS A 80 -0.323 -3.332 10.011 1.00 0.00 N ATOM 0 H LYS A 80 -1.915 -2.290 6.825 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.508 -1.637 7.825 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.858 -3.779 8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.195 -3.339 8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.457 -2.685 10.538 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.609 -4.218 10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.201 -1.528 10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.811 -2.455 12.245 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.466 -2.917 12.075 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.313 -4.363 11.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.682 -3.509 10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.687 -4.079 9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.425 -2.408 9.544 1.00 0.00 H new ATOM 317 N ALA A 81 -2.182 0.249 8.851 1.00 0.00 N ATOM 318 CA ALA A 81 -1.984 1.463 9.618 1.00 0.00 C ATOM 319 C ALA A 81 -2.932 2.542 9.092 1.00 0.00 C ATOM 320 O ALA A 81 -3.403 3.370 9.833 1.00 0.00 O ATOM 321 CB ALA A 81 -0.535 1.915 9.552 1.00 0.00 C ATOM 0 H ALA A 81 -1.418 0.007 8.219 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.210 1.274 10.667 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.412 2.828 10.135 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.108 1.135 9.959 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.261 2.107 8.515 1.00 0.00 H new ATOM 327 N ILE A 82 -3.227 2.470 7.799 1.00 0.00 N ATOM 328 CA ILE A 82 -4.173 3.375 7.152 1.00 0.00 C ATOM 329 C ILE A 82 -5.594 2.888 7.438 1.00 0.00 C ATOM 330 O ILE A 82 -6.564 3.643 7.379 1.00 0.00 O ATOM 331 CB ILE A 82 -3.930 3.427 5.618 1.00 0.00 C ATOM 332 CG1 ILE A 82 -2.496 3.880 5.334 1.00 0.00 C ATOM 333 CG2 ILE A 82 -4.938 4.346 4.917 1.00 0.00 C ATOM 334 CD1 ILE A 82 -2.134 3.919 3.866 1.00 0.00 C ATOM 0 H ILE A 82 -2.817 1.782 7.168 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.034 4.381 7.549 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.074 2.424 5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.351 4.873 5.758 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.807 3.210 5.848 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.737 4.357 3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.949 3.978 5.092 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.846 5.357 5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.102 4.250 3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.244 2.923 3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.795 4.612 3.346 1.00 0.00 H new ATOM 346 N MET A 83 -5.706 1.598 7.748 1.00 0.00 N ATOM 347 CA MET A 83 -6.983 1.018 8.106 1.00 0.00 C ATOM 348 C MET A 83 -7.526 1.681 9.370 1.00 0.00 C ATOM 349 O MET A 83 -8.744 1.869 9.516 1.00 0.00 O ATOM 350 CB MET A 83 -6.926 -0.531 8.290 1.00 0.00 C ATOM 351 CG MET A 83 -8.280 -1.104 8.725 1.00 0.00 C ATOM 352 SD MET A 83 -8.317 -2.894 8.997 1.00 0.00 S ATOM 353 CE MET A 83 -7.263 -3.047 10.432 1.00 0.00 C ATOM 0 H MET A 83 -4.925 0.942 7.756 1.00 0.00 H new ATOM 0 HA MET A 83 -7.657 1.207 7.270 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.618 -0.997 7.354 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.170 -0.781 9.034 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.586 -0.608 9.646 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.022 -0.854 7.966 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.429 -3.711 10.202 1.00 0.00 H new ATOM 0 HE2 MET A 83 -6.879 -2.065 10.708 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.836 -3.459 11.262 1.00 0.00 H new ATOM 363 N ALA A 84 -6.624 2.037 10.256 1.00 0.00 N ATOM 364 CA ALA A 84 -6.978 2.674 11.498 1.00 0.00 C ATOM 365 C ALA A 84 -6.849 4.192 11.400 1.00 0.00 C ATOM 366 O ALA A 84 -7.757 4.918 11.795 1.00 0.00 O ATOM 367 CB ALA A 84 -6.115 2.136 12.630 1.00 0.00 C ATOM 0 H ALA A 84 -5.622 1.891 10.133 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.022 2.443 11.711 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -6.393 2.626 13.563 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -6.268 1.061 12.725 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.065 2.336 12.414 1.00 0.00 H new ATOM 373 N ASP A 85 -5.741 4.661 10.852 1.00 0.00 N ATOM 374 CA ASP A 85 -5.473 6.096 10.795 1.00 0.00 C ATOM 375 C ASP A 85 -5.410 6.632 9.367 1.00 0.00 C ATOM 376 O ASP A 85 -4.616 6.153 8.534 1.00 0.00 O ATOM 377 CB ASP A 85 -4.188 6.469 11.540 1.00 0.00 C ATOM 378 CG ASP A 85 -3.859 7.941 11.360 1.00 0.00 C ATOM 379 OD1 ASP A 85 -4.464 8.782 12.025 1.00 0.00 O ATOM 380 OD2 ASP A 85 -3.030 8.265 10.486 1.00 0.00 O ATOM 0 H ASP A 85 -5.013 4.076 10.441 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.320 6.567 11.293 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.301 6.246 12.601 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.361 5.861 11.173 1.00 0.00 H new ATOM 385 N PRO A 86 -6.249 7.631 9.058 1.00 0.00 N ATOM 386 CA PRO A 86 -6.268 8.276 7.764 1.00 0.00 C ATOM 387 C PRO A 86 -5.375 9.543 7.698 1.00 0.00 C ATOM 388 O PRO A 86 -5.342 10.225 6.673 1.00 0.00 O ATOM 389 CB PRO A 86 -7.737 8.666 7.627 1.00 0.00 C ATOM 390 CG PRO A 86 -8.165 9.002 9.021 1.00 0.00 C ATOM 391 CD PRO A 86 -7.299 8.180 9.951 1.00 0.00 C ATOM 0 HA PRO A 86 -5.882 7.629 6.976 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.861 9.517 6.957 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.329 7.848 7.216 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.042 10.067 9.218 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.220 8.770 9.169 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.870 8.792 10.745 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.870 7.387 10.433 1.00 0.00 H new ATOM 399 N SER A 87 -4.646 9.831 8.761 1.00 0.00 N ATOM 400 CA SER A 87 -3.824 11.025 8.826 1.00 0.00 C ATOM 401 C SER A 87 -2.459 10.749 8.180 1.00 0.00 C ATOM 402 O SER A 87 -2.029 11.451 7.261 1.00 0.00 O ATOM 403 CB SER A 87 -3.678 11.479 10.296 1.00 0.00 C ATOM 404 OG SER A 87 -2.943 12.688 10.420 1.00 0.00 O ATOM 0 H SER A 87 -4.607 9.249 9.597 1.00 0.00 H new ATOM 0 HA SER A 87 -4.300 11.834 8.272 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.668 11.613 10.732 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.181 10.695 10.868 1.00 0.00 H new ATOM 0 HG SER A 87 -2.878 12.936 11.366 1.00 0.00 H new ATOM 410 N LYS A 88 -1.813 9.675 8.607 1.00 0.00 N ATOM 411 CA LYS A 88 -0.518 9.280 8.065 1.00 0.00 C ATOM 412 C LYS A 88 -0.678 8.584 6.714 1.00 0.00 C ATOM 413 O LYS A 88 0.292 8.188 6.073 1.00 0.00 O ATOM 414 CB LYS A 88 0.348 8.471 9.091 1.00 0.00 C ATOM 415 CG LYS A 88 -0.309 7.240 9.760 1.00 0.00 C ATOM 416 CD LYS A 88 -0.597 6.094 8.799 1.00 0.00 C ATOM 417 CE LYS A 88 0.683 5.494 8.254 1.00 0.00 C ATOM 418 NZ LYS A 88 0.406 4.422 7.282 1.00 0.00 N ATOM 0 H LYS A 88 -2.167 9.054 9.335 1.00 0.00 H new ATOM 0 HA LYS A 88 0.053 10.190 7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.250 8.135 8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.664 9.155 9.879 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.344 6.879 10.555 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.242 7.550 10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.172 5.323 9.312 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.211 6.455 7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.278 6.274 7.778 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.278 5.096 9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.283 3.899 7.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.303 3.771 7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.043 4.838 6.401 1.00 0.00 H new ATOM 432 N ALA A 89 -1.925 8.371 6.350 1.00 0.00 N ATOM 433 CA ALA A 89 -2.309 7.718 5.118 1.00 0.00 C ATOM 434 C ALA A 89 -1.696 8.357 3.877 1.00 0.00 C ATOM 435 O ALA A 89 -1.100 7.653 3.066 1.00 0.00 O ATOM 436 CB ALA A 89 -3.814 7.697 4.990 1.00 0.00 C ATOM 0 H ALA A 89 -2.722 8.656 6.920 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.919 6.702 5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.093 7.203 4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.243 7.154 5.832 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.193 8.719 4.987 1.00 0.00 H new ATOM 442 N ASP A 90 -1.807 9.677 3.751 1.00 0.00 N ATOM 443 CA ASP A 90 -1.367 10.385 2.523 1.00 0.00 C ATOM 444 C ASP A 90 0.120 10.190 2.224 1.00 0.00 C ATOM 445 O ASP A 90 0.509 9.957 1.067 1.00 0.00 O ATOM 446 CB ASP A 90 -1.728 11.858 2.552 1.00 0.00 C ATOM 447 CG ASP A 90 -1.283 12.545 1.284 1.00 0.00 C ATOM 448 OD1 ASP A 90 -1.844 12.221 0.203 1.00 0.00 O ATOM 449 OD2 ASP A 90 -0.376 13.378 1.360 1.00 0.00 O ATOM 0 H ASP A 90 -2.194 10.286 4.472 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.918 9.924 1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.805 11.970 2.673 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.259 12.335 3.413 1.00 0.00 H new ATOM 454 N ASP A 91 0.934 10.201 3.278 1.00 0.00 N ATOM 455 CA ASP A 91 2.387 9.909 3.177 1.00 0.00 C ATOM 456 C ASP A 91 2.620 8.600 2.436 1.00 0.00 C ATOM 457 O ASP A 91 3.537 8.466 1.615 1.00 0.00 O ATOM 458 CB ASP A 91 3.014 9.805 4.589 1.00 0.00 C ATOM 459 CG ASP A 91 4.261 8.907 4.621 1.00 0.00 C ATOM 460 OD1 ASP A 91 5.373 9.366 4.295 1.00 0.00 O ATOM 461 OD2 ASP A 91 4.125 7.673 4.895 1.00 0.00 O ATOM 0 H ASP A 91 0.620 10.410 4.226 1.00 0.00 H new ATOM 0 HA ASP A 91 2.856 10.725 2.627 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.281 10.803 4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.271 9.413 5.284 1.00 0.00 H new ATOM 466 N VAL A 92 1.770 7.656 2.710 1.00 0.00 N ATOM 467 CA VAL A 92 1.874 6.356 2.141 1.00 0.00 C ATOM 468 C VAL A 92 1.318 6.363 0.717 1.00 0.00 C ATOM 469 O VAL A 92 1.862 5.717 -0.153 1.00 0.00 O ATOM 470 CB VAL A 92 1.150 5.321 3.014 1.00 0.00 C ATOM 471 CG1 VAL A 92 1.391 3.926 2.510 1.00 0.00 C ATOM 472 CG2 VAL A 92 1.600 5.437 4.452 1.00 0.00 C ATOM 0 H VAL A 92 0.978 7.773 3.342 1.00 0.00 H new ATOM 0 HA VAL A 92 2.926 6.073 2.098 1.00 0.00 H new ATOM 0 HB VAL A 92 0.081 5.525 2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.867 3.213 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.022 3.840 1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.460 3.712 2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.077 4.697 5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.674 5.262 4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.373 6.436 4.825 1.00 0.00 H new ATOM 482 N TYR A 93 0.263 7.136 0.489 1.00 0.00 N ATOM 483 CA TYR A 93 -0.317 7.290 -0.856 1.00 0.00 C ATOM 484 C TYR A 93 0.716 7.844 -1.827 1.00 0.00 C ATOM 485 O TYR A 93 0.906 7.302 -2.913 1.00 0.00 O ATOM 486 CB TYR A 93 -1.552 8.209 -0.846 1.00 0.00 C ATOM 487 CG TYR A 93 -2.856 7.568 -0.395 1.00 0.00 C ATOM 488 CD1 TYR A 93 -2.948 6.834 0.778 1.00 0.00 C ATOM 489 CD2 TYR A 93 -4.008 7.728 -1.152 1.00 0.00 C ATOM 490 CE1 TYR A 93 -4.145 6.275 1.180 1.00 0.00 C ATOM 491 CE2 TYR A 93 -5.206 7.174 -0.758 1.00 0.00 C ATOM 492 CZ TYR A 93 -5.270 6.448 0.408 1.00 0.00 C ATOM 493 OH TYR A 93 -6.466 5.892 0.802 1.00 0.00 O ATOM 0 H TYR A 93 -0.215 7.670 1.214 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.630 6.298 -1.182 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.343 9.058 -0.195 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.694 8.605 -1.851 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.067 6.697 1.388 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.964 8.298 -2.068 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.197 5.705 2.096 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.091 7.309 -1.362 1.00 0.00 H new ATOM 0 HH TYR A 93 -7.199 6.296 0.292 1.00 0.00 H new ATOM 503 N GLN A 94 1.416 8.896 -1.409 1.00 0.00 N ATOM 504 CA GLN A 94 2.439 9.511 -2.262 1.00 0.00 C ATOM 505 C GLN A 94 3.609 8.612 -2.424 1.00 0.00 C ATOM 506 O GLN A 94 4.153 8.471 -3.506 1.00 0.00 O ATOM 507 CB GLN A 94 2.926 10.867 -1.747 1.00 0.00 C ATOM 508 CG GLN A 94 2.323 12.062 -2.462 1.00 0.00 C ATOM 509 CD GLN A 94 0.921 12.439 -2.026 1.00 0.00 C ATOM 510 OE1 GLN A 94 0.164 11.496 -1.535 1.00 0.00 O flip ATOM 511 NE2 GLN A 94 0.546 13.595 -2.131 1.00 0.00 N flip ATOM 0 H GLN A 94 1.299 9.338 -0.497 1.00 0.00 H new ATOM 0 HA GLN A 94 1.953 9.676 -3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.697 10.942 -0.684 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.011 10.910 -1.844 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.976 12.922 -2.312 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.310 11.855 -3.532 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.171 14.301 -2.521 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.393 13.856 -1.829 1.00 0.00 H new ATOM 520 N LYS A 95 3.975 7.980 -1.357 1.00 0.00 N ATOM 521 CA LYS A 95 5.101 7.104 -1.356 1.00 0.00 C ATOM 522 C LYS A 95 4.835 5.872 -2.192 1.00 0.00 C ATOM 523 O LYS A 95 5.720 5.352 -2.837 1.00 0.00 O ATOM 524 CB LYS A 95 5.410 6.701 0.033 1.00 0.00 C ATOM 525 CG LYS A 95 6.597 5.808 0.159 1.00 0.00 C ATOM 526 CD LYS A 95 6.624 5.127 1.490 1.00 0.00 C ATOM 527 CE LYS A 95 6.956 6.078 2.692 1.00 0.00 C ATOM 528 NZ LYS A 95 5.896 7.087 3.012 1.00 0.00 N ATOM 0 H LYS A 95 3.500 8.057 -0.458 1.00 0.00 H new ATOM 0 HA LYS A 95 5.949 7.635 -1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.578 7.597 0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.542 6.195 0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.579 5.061 -0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.509 6.390 0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.655 4.661 1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.362 4.326 1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.137 5.469 3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.884 6.605 2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.226 8.035 2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.028 6.858 2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.697 7.070 4.033 1.00 0.00 H new ATOM 542 N TRP A 96 3.609 5.418 -2.205 1.00 0.00 N ATOM 543 CA TRP A 96 3.284 4.253 -3.006 1.00 0.00 C ATOM 544 C TRP A 96 3.349 4.590 -4.464 1.00 0.00 C ATOM 545 O TRP A 96 3.549 3.730 -5.313 1.00 0.00 O ATOM 546 CB TRP A 96 1.968 3.570 -2.616 1.00 0.00 C ATOM 547 CG TRP A 96 2.065 2.624 -1.438 1.00 0.00 C ATOM 548 CD1 TRP A 96 3.182 1.972 -0.992 1.00 0.00 C ATOM 549 CD2 TRP A 96 0.986 2.176 -0.601 1.00 0.00 C ATOM 550 NE1 TRP A 96 2.869 1.166 0.074 1.00 0.00 N ATOM 551 CE2 TRP A 96 1.531 1.271 0.334 1.00 0.00 C ATOM 552 CE3 TRP A 96 -0.381 2.457 -0.543 1.00 0.00 C ATOM 553 CZ2 TRP A 96 0.753 0.647 1.311 1.00 0.00 C ATOM 554 CZ3 TRP A 96 -1.150 1.837 0.425 1.00 0.00 C ATOM 555 CH2 TRP A 96 -0.581 0.942 1.340 1.00 0.00 C ATOM 0 H TRP A 96 2.830 5.822 -1.685 1.00 0.00 H new ATOM 0 HA TRP A 96 4.045 3.503 -2.791 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.231 4.339 -2.386 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.593 3.017 -3.477 1.00 0.00 H new ATOM 0 HD1 TRP A 96 4.169 2.077 -1.418 1.00 0.00 H new ATOM 0 HE1 TRP A 96 3.528 0.583 0.589 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.830 3.147 -1.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.189 -0.043 2.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -2.208 2.047 0.476 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -1.210 0.475 2.084 1.00 0.00 H new ATOM 566 N ALA A 97 3.216 5.845 -4.729 1.00 0.00 N ATOM 567 CA ALA A 97 3.288 6.345 -6.074 1.00 0.00 C ATOM 568 C ALA A 97 4.748 6.535 -6.472 1.00 0.00 C ATOM 569 O ALA A 97 5.141 6.198 -7.587 1.00 0.00 O ATOM 570 CB ALA A 97 2.514 7.649 -6.210 1.00 0.00 C ATOM 0 H ALA A 97 3.053 6.562 -4.022 1.00 0.00 H new ATOM 0 HA ALA A 97 2.831 5.619 -6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.583 8.008 -7.237 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.468 7.480 -5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.936 8.395 -5.536 1.00 0.00 H new ATOM 576 N ASP A 98 5.564 7.018 -5.530 1.00 0.00 N ATOM 577 CA ASP A 98 6.982 7.304 -5.823 1.00 0.00 C ATOM 578 C ASP A 98 7.798 6.013 -5.871 1.00 0.00 C ATOM 579 O ASP A 98 8.772 5.910 -6.604 1.00 0.00 O ATOM 580 CB ASP A 98 7.608 8.327 -4.822 1.00 0.00 C ATOM 581 CG ASP A 98 8.386 7.705 -3.661 1.00 0.00 C ATOM 582 OD1 ASP A 98 7.793 7.367 -2.602 1.00 0.00 O ATOM 583 OD2 ASP A 98 9.623 7.545 -3.763 1.00 0.00 O ATOM 0 H ASP A 98 5.279 7.218 -4.571 1.00 0.00 H new ATOM 0 HA ASP A 98 7.014 7.772 -6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.276 8.989 -5.373 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.810 8.947 -4.414 1.00 0.00 H new ATOM 588 N LYS A 99 7.367 5.010 -5.105 1.00 0.00 N ATOM 589 CA LYS A 99 8.036 3.709 -5.099 1.00 0.00 C ATOM 590 C LYS A 99 7.611 2.851 -6.283 1.00 0.00 C ATOM 591 O LYS A 99 8.021 1.700 -6.405 1.00 0.00 O ATOM 592 CB LYS A 99 7.790 2.977 -3.784 1.00 0.00 C ATOM 593 CG LYS A 99 8.299 3.731 -2.580 1.00 0.00 C ATOM 594 CD LYS A 99 9.823 3.859 -2.607 1.00 0.00 C ATOM 595 CE LYS A 99 10.349 4.745 -1.490 1.00 0.00 C ATOM 596 NZ LYS A 99 9.925 6.149 -1.647 1.00 0.00 N ATOM 0 H LYS A 99 6.561 5.073 -4.483 1.00 0.00 H new ATOM 0 HA LYS A 99 9.106 3.893 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.721 2.800 -3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.272 2.000 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.849 4.723 -2.553 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.991 3.217 -1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.270 2.868 -2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.134 4.268 -3.568 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.996 4.366 -0.531 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.438 4.696 -1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.264 6.707 -0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.325 6.536 -2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.887 6.195 -1.690 1.00 0.00 H new ATOM 610 N GLY A 100 6.767 3.406 -7.124 1.00 0.00 N ATOM 611 CA GLY A 100 6.397 2.749 -8.344 1.00 0.00 C ATOM 612 C GLY A 100 5.346 1.676 -8.197 1.00 0.00 C ATOM 613 O GLY A 100 5.181 0.858 -9.110 1.00 0.00 O ATOM 0 H GLY A 100 6.326 4.314 -6.979 1.00 0.00 H new ATOM 0 HA2 GLY A 100 6.034 3.499 -9.047 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.289 2.305 -8.785 1.00 0.00 H new ATOM 617 N TYR A 101 4.627 1.639 -7.069 1.00 0.00 N ATOM 618 CA TYR A 101 3.546 0.657 -6.954 1.00 0.00 C ATOM 619 C TYR A 101 2.463 0.972 -7.984 1.00 0.00 C ATOM 620 O TYR A 101 1.754 1.966 -7.883 1.00 0.00 O ATOM 621 CB TYR A 101 2.966 0.592 -5.535 1.00 0.00 C ATOM 622 CG TYR A 101 3.927 0.028 -4.514 1.00 0.00 C ATOM 623 CD1 TYR A 101 4.808 0.846 -3.830 1.00 0.00 C ATOM 624 CD2 TYR A 101 3.953 -1.332 -4.237 1.00 0.00 C ATOM 625 CE1 TYR A 101 5.688 0.330 -2.900 1.00 0.00 C ATOM 626 CE2 TYR A 101 4.830 -1.855 -3.309 1.00 0.00 C ATOM 627 CZ TYR A 101 5.694 -1.019 -2.642 1.00 0.00 C ATOM 628 OH TYR A 101 6.570 -1.533 -1.718 1.00 0.00 O ATOM 0 H TYR A 101 4.764 2.245 -6.260 1.00 0.00 H new ATOM 0 HA TYR A 101 3.959 -0.331 -7.158 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.668 1.594 -5.227 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.063 -0.019 -5.548 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.807 1.908 -4.027 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.275 -1.992 -4.757 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.369 0.985 -2.377 1.00 0.00 H new ATOM 0 HE2 TYR A 101 4.838 -2.916 -3.108 1.00 0.00 H new ATOM 0 HH TYR A 101 6.445 -2.503 -1.653 1.00 0.00 H new ATOM 638 N THR A 102 2.326 0.083 -8.940 1.00 0.00 N ATOM 639 CA THR A 102 1.494 0.273 -10.119 1.00 0.00 C ATOM 640 C THR A 102 -0.015 -0.004 -9.845 1.00 0.00 C ATOM 641 O THR A 102 -0.707 -0.592 -10.680 1.00 0.00 O ATOM 642 CB THR A 102 2.018 -0.698 -11.189 1.00 0.00 C ATOM 643 OG1 THR A 102 3.446 -0.807 -11.031 1.00 0.00 O ATOM 644 CG2 THR A 102 1.725 -0.176 -12.595 1.00 0.00 C ATOM 0 H THR A 102 2.801 -0.820 -8.924 1.00 0.00 H new ATOM 0 HA THR A 102 1.556 1.313 -10.439 1.00 0.00 H new ATOM 0 HB THR A 102 1.525 -1.663 -11.066 1.00 0.00 H new ATOM 0 HG1 THR A 102 3.803 -1.424 -11.703 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.106 -0.882 -13.332 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.649 -0.063 -12.724 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.211 0.790 -12.733 1.00 0.00 H new ATOM 652 N LEU A 103 -0.512 0.472 -8.703 1.00 0.00 N ATOM 653 CA LEU A 103 -1.920 0.324 -8.281 1.00 0.00 C ATOM 654 C LEU A 103 -2.346 -1.141 -8.066 1.00 0.00 C ATOM 655 O LEU A 103 -2.456 -1.597 -6.935 1.00 0.00 O ATOM 656 CB LEU A 103 -2.892 1.053 -9.248 1.00 0.00 C ATOM 657 CG LEU A 103 -4.399 0.885 -8.965 1.00 0.00 C ATOM 658 CD1 LEU A 103 -4.772 1.429 -7.600 1.00 0.00 C ATOM 659 CD2 LEU A 103 -5.230 1.550 -10.051 1.00 0.00 C ATOM 0 H LEU A 103 0.057 0.982 -8.027 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.984 0.807 -7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.658 2.117 -9.229 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.694 0.701 -10.260 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.617 -0.183 -8.968 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.841 1.294 -7.434 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.215 0.894 -6.831 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.529 2.490 -7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.289 1.419 -9.830 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.996 2.614 -10.088 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -5.001 1.095 -11.015 1.00 0.00 H new ATOM 671 N THR A 104 -2.492 -1.879 -9.153 1.00 0.00 N ATOM 672 CA THR A 104 -3.004 -3.242 -9.140 1.00 0.00 C ATOM 673 C THR A 104 -2.025 -4.233 -8.489 1.00 0.00 C ATOM 674 O THR A 104 -2.356 -5.400 -8.301 1.00 0.00 O ATOM 675 CB THR A 104 -3.390 -3.723 -10.575 1.00 0.00 C ATOM 676 OG1 THR A 104 -3.881 -5.075 -10.531 1.00 0.00 O ATOM 677 CG2 THR A 104 -2.191 -3.641 -11.521 1.00 0.00 C ATOM 0 H THR A 104 -2.254 -1.544 -10.087 1.00 0.00 H new ATOM 0 HA THR A 104 -3.905 -3.222 -8.527 1.00 0.00 H new ATOM 0 HB THR A 104 -4.174 -3.066 -10.951 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.541 -5.521 -9.727 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.487 -3.982 -12.513 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.844 -2.609 -11.580 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.387 -4.274 -11.145 1.00 0.00 H new ATOM 685 N GLN A 105 -0.844 -3.768 -8.157 1.00 0.00 N ATOM 686 CA GLN A 105 0.136 -4.604 -7.504 1.00 0.00 C ATOM 687 C GLN A 105 -0.130 -4.588 -6.002 1.00 0.00 C ATOM 688 O GLN A 105 0.206 -5.519 -5.280 1.00 0.00 O ATOM 689 CB GLN A 105 1.544 -4.088 -7.800 1.00 0.00 C ATOM 690 CG GLN A 105 2.648 -5.023 -7.344 1.00 0.00 C ATOM 691 CD GLN A 105 4.027 -4.460 -7.590 1.00 0.00 C ATOM 692 OE1 GLN A 105 4.605 -4.654 -8.636 1.00 0.00 O ATOM 693 NE2 GLN A 105 4.565 -3.772 -6.617 1.00 0.00 N ATOM 0 H GLN A 105 -0.537 -2.811 -8.329 1.00 0.00 H new ATOM 0 HA GLN A 105 0.061 -5.625 -7.877 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.642 -3.922 -8.873 1.00 0.00 H new ATOM 0 HB3 GLN A 105 1.676 -3.121 -7.314 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.528 -5.228 -6.280 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.550 -5.975 -7.865 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.050 -3.628 -5.749 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.500 -3.380 -6.726 1.00 0.00 H new ATOM 702 N LEU A 106 -0.787 -3.531 -5.547 1.00 0.00 N ATOM 703 CA LEU A 106 -1.093 -3.370 -4.141 1.00 0.00 C ATOM 704 C LEU A 106 -2.244 -4.291 -3.792 1.00 0.00 C ATOM 705 O LEU A 106 -2.339 -4.814 -2.675 1.00 0.00 O ATOM 706 CB LEU A 106 -1.515 -1.928 -3.850 1.00 0.00 C ATOM 707 CG LEU A 106 -1.651 -1.576 -2.379 1.00 0.00 C ATOM 708 CD1 LEU A 106 -0.292 -1.445 -1.746 1.00 0.00 C ATOM 709 CD2 LEU A 106 -2.463 -0.323 -2.179 1.00 0.00 C ATOM 0 H LEU A 106 -1.119 -2.770 -6.139 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.209 -3.609 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.786 -1.255 -4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.470 -1.740 -4.341 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.187 -2.388 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.405 -1.192 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.245 -2.389 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 106 0.270 -0.658 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -2.538 -0.104 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -1.978 0.510 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.462 -0.467 -2.591 1.00 0.00 H new ATOM 721 N SER A 107 -3.082 -4.508 -4.790 1.00 0.00 N ATOM 722 CA SER A 107 -4.277 -5.295 -4.702 1.00 0.00 C ATOM 723 C SER A 107 -4.006 -6.698 -4.171 1.00 0.00 C ATOM 724 O SER A 107 -4.828 -7.254 -3.462 1.00 0.00 O ATOM 725 CB SER A 107 -4.856 -5.403 -6.098 1.00 0.00 C ATOM 726 OG SER A 107 -4.811 -4.146 -6.752 1.00 0.00 O ATOM 0 H SER A 107 -2.932 -4.119 -5.721 1.00 0.00 H new ATOM 0 HA SER A 107 -4.965 -4.811 -4.009 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.296 -6.140 -6.674 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.886 -5.755 -6.045 1.00 0.00 H new ATOM 0 HG SER A 107 -5.554 -3.588 -6.440 1.00 0.00 H new ATOM 732 N ASP A 108 -2.881 -7.266 -4.553 1.00 0.00 N ATOM 733 CA ASP A 108 -2.546 -8.626 -4.172 1.00 0.00 C ATOM 734 C ASP A 108 -1.899 -8.707 -2.812 1.00 0.00 C ATOM 735 O ASP A 108 -2.129 -9.668 -2.068 1.00 0.00 O ATOM 736 CB ASP A 108 -1.739 -9.322 -5.258 1.00 0.00 C ATOM 737 CG ASP A 108 -2.514 -9.350 -6.554 1.00 0.00 C ATOM 738 OD1 ASP A 108 -3.331 -10.273 -6.775 1.00 0.00 O ATOM 739 OD2 ASP A 108 -2.390 -8.404 -7.347 1.00 0.00 O ATOM 0 H ASP A 108 -2.178 -6.805 -5.131 1.00 0.00 H new ATOM 0 HA ASP A 108 -3.483 -9.174 -4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.792 -8.803 -5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -1.501 -10.339 -4.947 1.00 0.00 H new ATOM 744 N PHE A 109 -1.130 -7.681 -2.451 1.00 0.00 N ATOM 745 CA PHE A 109 -0.506 -7.627 -1.123 1.00 0.00 C ATOM 746 C PHE A 109 -1.601 -7.526 -0.062 1.00 0.00 C ATOM 747 O PHE A 109 -1.521 -8.108 1.038 1.00 0.00 O ATOM 748 CB PHE A 109 0.440 -6.418 -0.991 1.00 0.00 C ATOM 749 CG PHE A 109 1.571 -6.370 -1.989 1.00 0.00 C ATOM 750 CD1 PHE A 109 2.271 -7.515 -2.333 1.00 0.00 C ATOM 751 CD2 PHE A 109 1.953 -5.167 -2.556 1.00 0.00 C ATOM 752 CE1 PHE A 109 3.322 -7.463 -3.224 1.00 0.00 C ATOM 753 CE2 PHE A 109 3.001 -5.108 -3.451 1.00 0.00 C ATOM 754 CZ PHE A 109 3.686 -6.257 -3.786 1.00 0.00 C ATOM 0 H PHE A 109 -0.923 -6.882 -3.050 1.00 0.00 H new ATOM 0 HA PHE A 109 0.082 -8.534 -0.984 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -0.148 -5.505 -1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 109 0.864 -6.417 0.013 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.989 -8.462 -1.897 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.424 -4.263 -2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.859 -8.364 -3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.285 -4.163 -3.889 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.506 -6.213 -4.487 1.00 0.00 H new ATOM 764 N LEU A 110 -2.643 -6.824 -0.421 1.00 0.00 N ATOM 765 CA LEU A 110 -3.802 -6.616 0.425 1.00 0.00 C ATOM 766 C LEU A 110 -4.881 -7.659 0.100 1.00 0.00 C ATOM 767 O LEU A 110 -6.068 -7.434 0.324 1.00 0.00 O ATOM 768 CB LEU A 110 -4.335 -5.172 0.249 1.00 0.00 C ATOM 769 CG LEU A 110 -3.551 -4.021 0.959 1.00 0.00 C ATOM 770 CD1 LEU A 110 -2.087 -3.977 0.575 1.00 0.00 C ATOM 771 CD2 LEU A 110 -4.193 -2.685 0.658 1.00 0.00 C ATOM 0 H LEU A 110 -2.717 -6.368 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.518 -6.742 1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.363 -4.952 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.365 -5.148 0.606 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.599 -4.229 2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.597 -3.157 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.611 -4.919 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.997 -3.824 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.637 -1.893 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.183 -2.511 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.223 -2.687 1.016 1.00 0.00 H new ATOM 783 N LYS A 111 -4.412 -8.821 -0.377 1.00 0.00 N ATOM 784 CA LYS A 111 -5.229 -9.966 -0.766 1.00 0.00 C ATOM 785 C LYS A 111 -5.956 -9.704 -2.069 1.00 0.00 C ATOM 786 O LYS A 111 -6.972 -9.005 -2.090 1.00 0.00 O ATOM 787 CB LYS A 111 -6.185 -10.468 0.353 1.00 0.00 C ATOM 788 CG LYS A 111 -7.129 -11.590 -0.095 1.00 0.00 C ATOM 789 CD LYS A 111 -6.379 -12.824 -0.583 1.00 0.00 C ATOM 790 CE LYS A 111 -7.323 -13.809 -1.264 1.00 0.00 C ATOM 791 NZ LYS A 111 -7.938 -13.228 -2.497 1.00 0.00 N ATOM 0 H LYS A 111 -3.414 -8.989 -0.505 1.00 0.00 H new ATOM 0 HA LYS A 111 -4.535 -10.790 -0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.590 -10.822 1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.779 -9.628 0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -7.778 -11.868 0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.773 -11.221 -0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -5.596 -12.525 -1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.887 -13.311 0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.777 -14.716 -1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.110 -14.099 -0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.288 -13.996 -3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.730 -12.608 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -7.224 -12.675 -3.014 1.00 0.00 H new ATOM 905 N TYR A 118 -8.893 -4.424 4.331 1.00 0.00 N ATOM 906 CA TYR A 118 -8.186 -3.331 3.715 1.00 0.00 C ATOM 907 C TYR A 118 -9.152 -2.482 2.877 1.00 0.00 C ATOM 908 O TYR A 118 -8.740 -1.791 1.937 1.00 0.00 O ATOM 909 CB TYR A 118 -7.055 -3.848 2.850 1.00 0.00 C ATOM 910 CG TYR A 118 -6.078 -4.733 3.585 1.00 0.00 C ATOM 911 CD1 TYR A 118 -5.102 -4.190 4.404 1.00 0.00 C ATOM 912 CD2 TYR A 118 -6.133 -6.112 3.457 1.00 0.00 C ATOM 913 CE1 TYR A 118 -4.207 -4.995 5.071 1.00 0.00 C ATOM 914 CE2 TYR A 118 -5.243 -6.922 4.116 1.00 0.00 C ATOM 915 CZ TYR A 118 -4.281 -6.359 4.920 1.00 0.00 C ATOM 916 OH TYR A 118 -3.377 -7.170 5.573 1.00 0.00 O ATOM 0 HA TYR A 118 -7.760 -2.707 4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -7.476 -4.405 2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.516 -3.000 2.429 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -5.042 -3.118 4.521 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.890 -6.557 2.828 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.452 -4.558 5.708 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.298 -7.995 4.004 1.00 0.00 H new ATOM 0 HH TYR A 118 -3.795 -8.035 5.768 1.00 0.00 H new ATOM 926 N ASP A 119 -10.423 -2.528 3.265 1.00 0.00 N ATOM 927 CA ASP A 119 -11.523 -1.831 2.628 1.00 0.00 C ATOM 928 C ASP A 119 -11.203 -0.351 2.372 1.00 0.00 C ATOM 929 O ASP A 119 -11.111 0.061 1.217 1.00 0.00 O ATOM 930 CB ASP A 119 -12.848 -2.027 3.440 1.00 0.00 C ATOM 931 CG ASP A 119 -12.772 -1.597 4.912 1.00 0.00 C ATOM 932 OD1 ASP A 119 -12.355 -2.415 5.781 1.00 0.00 O ATOM 933 OD2 ASP A 119 -13.087 -0.431 5.218 1.00 0.00 O ATOM 0 H ASP A 119 -10.722 -3.079 4.070 1.00 0.00 H new ATOM 0 HA ASP A 119 -11.674 -2.276 1.644 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -13.643 -1.463 2.952 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -13.131 -3.079 3.398 1.00 0.00 H new ATOM 938 N ARG A 120 -10.970 0.423 3.425 1.00 0.00 N ATOM 939 CA ARG A 120 -10.664 1.848 3.259 1.00 0.00 C ATOM 940 C ARG A 120 -9.345 2.108 2.565 1.00 0.00 C ATOM 941 O ARG A 120 -9.277 2.927 1.654 1.00 0.00 O ATOM 942 CB ARG A 120 -10.739 2.693 4.567 1.00 0.00 C ATOM 943 CG ARG A 120 -9.811 2.341 5.749 1.00 0.00 C ATOM 944 CD ARG A 120 -10.152 1.028 6.435 1.00 0.00 C ATOM 945 NE ARG A 120 -11.566 0.924 6.782 1.00 0.00 N ATOM 946 CZ ARG A 120 -12.144 1.263 7.929 1.00 0.00 C ATOM 947 NH1 ARG A 120 -11.432 1.787 8.941 1.00 0.00 N ATOM 948 NH2 ARG A 120 -13.452 1.052 8.064 1.00 0.00 N ATOM 0 H ARG A 120 -10.985 0.099 4.392 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.472 2.186 2.611 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -10.546 3.731 4.297 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -11.765 2.643 4.931 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -8.783 2.294 5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -9.855 3.145 6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -9.881 0.200 5.780 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -9.552 0.929 7.340 1.00 0.00 H new ATOM 0 HE ARG A 120 -12.181 0.548 6.061 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.428 1.931 8.837 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.896 2.040 9.813 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -13.984 0.640 7.298 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -13.922 1.303 8.934 1.00 0.00 H new ATOM 962 N VAL A 121 -8.323 1.380 2.959 1.00 0.00 N ATOM 963 CA VAL A 121 -6.986 1.653 2.484 1.00 0.00 C ATOM 964 C VAL A 121 -6.819 1.391 0.987 1.00 0.00 C ATOM 965 O VAL A 121 -6.289 2.221 0.274 1.00 0.00 O ATOM 966 CB VAL A 121 -5.885 0.930 3.328 1.00 0.00 C ATOM 967 CG1 VAL A 121 -6.053 -0.563 3.330 1.00 0.00 C ATOM 968 CG2 VAL A 121 -4.499 1.306 2.849 1.00 0.00 C ATOM 0 H VAL A 121 -8.393 0.595 3.607 1.00 0.00 H new ATOM 0 HA VAL A 121 -6.840 2.723 2.628 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.005 1.271 4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.264 -1.017 3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -7.024 -0.819 3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.993 -0.937 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.753 0.790 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.384 1.017 1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.361 2.383 2.944 1.00 0.00 H new ATOM 978 N TYR A 122 -7.322 0.282 0.509 1.00 0.00 N ATOM 979 CA TYR A 122 -7.145 -0.048 -0.880 1.00 0.00 C ATOM 980 C TYR A 122 -8.120 0.702 -1.772 1.00 0.00 C ATOM 981 O TYR A 122 -7.719 1.293 -2.779 1.00 0.00 O ATOM 982 CB TYR A 122 -7.255 -1.556 -1.110 1.00 0.00 C ATOM 983 CG TYR A 122 -7.222 -1.930 -2.568 1.00 0.00 C ATOM 984 CD1 TYR A 122 -6.043 -1.919 -3.282 1.00 0.00 C ATOM 985 CD2 TYR A 122 -8.387 -2.266 -3.230 1.00 0.00 C ATOM 986 CE1 TYR A 122 -6.030 -2.233 -4.615 1.00 0.00 C ATOM 987 CE2 TYR A 122 -8.386 -2.586 -4.552 1.00 0.00 C ATOM 988 CZ TYR A 122 -7.209 -2.569 -5.248 1.00 0.00 C ATOM 989 OH TYR A 122 -7.203 -2.890 -6.585 1.00 0.00 O ATOM 0 H TYR A 122 -7.851 -0.400 1.053 1.00 0.00 H new ATOM 0 HA TYR A 122 -6.139 0.268 -1.154 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -6.437 -2.058 -0.593 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.183 -1.919 -0.668 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -5.120 -1.660 -2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -9.320 -2.275 -2.686 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -5.102 -2.218 -5.168 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -9.308 -2.851 -5.048 1.00 0.00 H new ATOM 0 HH TYR A 122 -8.115 -3.103 -6.874 1.00 0.00 H new ATOM 999 N ASN A 123 -9.388 0.689 -1.396 1.00 0.00 N ATOM 1000 CA ASN A 123 -10.431 1.286 -2.229 1.00 0.00 C ATOM 1001 C ASN A 123 -10.236 2.800 -2.318 1.00 0.00 C ATOM 1002 O ASN A 123 -10.523 3.412 -3.340 1.00 0.00 O ATOM 1003 CB ASN A 123 -11.822 0.958 -1.673 1.00 0.00 C ATOM 1004 CG ASN A 123 -12.935 1.113 -2.697 1.00 0.00 C ATOM 1005 OD1 ASN A 123 -13.293 0.143 -3.381 1.00 0.00 O ATOM 1006 ND2 ASN A 123 -13.491 2.293 -2.815 1.00 0.00 N ATOM 0 H ASN A 123 -9.724 0.276 -0.526 1.00 0.00 H new ATOM 0 HA ASN A 123 -10.355 0.864 -3.231 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -11.823 -0.066 -1.299 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -12.028 1.608 -0.823 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -14.245 2.437 -3.487 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -13.170 3.068 -2.235 1.00 0.00 H new ATOM 1013 N GLY A 124 -9.727 3.387 -1.241 1.00 0.00 N ATOM 1014 CA GLY A 124 -9.452 4.804 -1.226 1.00 0.00 C ATOM 1015 C GLY A 124 -8.245 5.138 -2.074 1.00 0.00 C ATOM 1016 O GLY A 124 -8.272 6.098 -2.853 1.00 0.00 O ATOM 0 H GLY A 124 -9.500 2.899 -0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -10.321 5.349 -1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.281 5.133 -0.201 1.00 0.00 H new ATOM 1020 N TYR A 125 -7.208 4.312 -1.948 1.00 0.00 N ATOM 1021 CA TYR A 125 -5.950 4.455 -2.680 1.00 0.00 C ATOM 1022 C TYR A 125 -6.166 4.521 -4.181 1.00 0.00 C ATOM 1023 O TYR A 125 -5.544 5.319 -4.849 1.00 0.00 O ATOM 1024 CB TYR A 125 -5.004 3.307 -2.306 1.00 0.00 C ATOM 1025 CG TYR A 125 -3.727 3.199 -3.113 1.00 0.00 C ATOM 1026 CD1 TYR A 125 -2.648 4.046 -2.894 1.00 0.00 C ATOM 1027 CD2 TYR A 125 -3.599 2.216 -4.077 1.00 0.00 C ATOM 1028 CE1 TYR A 125 -1.478 3.905 -3.623 1.00 0.00 C ATOM 1029 CE2 TYR A 125 -2.446 2.071 -4.804 1.00 0.00 C ATOM 1030 CZ TYR A 125 -1.388 2.908 -4.580 1.00 0.00 C ATOM 1031 OH TYR A 125 -0.226 2.749 -5.322 1.00 0.00 O ATOM 0 H TYR A 125 -7.219 3.508 -1.321 1.00 0.00 H new ATOM 0 HA TYR A 125 -5.495 5.402 -2.391 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -4.736 3.413 -1.255 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -5.550 2.369 -2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -2.722 4.823 -2.147 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -4.427 1.547 -4.261 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -0.643 4.567 -3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -2.373 1.296 -5.553 1.00 0.00 H new ATOM 0 HH TYR A 125 -0.336 3.176 -6.197 1.00 0.00 H new ATOM 1041 N MET A 126 -7.080 3.703 -4.686 1.00 0.00 N ATOM 1042 CA MET A 126 -7.406 3.631 -6.125 1.00 0.00 C ATOM 1043 C MET A 126 -7.715 5.012 -6.731 1.00 0.00 C ATOM 1044 O MET A 126 -7.382 5.284 -7.889 1.00 0.00 O ATOM 1045 CB MET A 126 -8.599 2.690 -6.366 1.00 0.00 C ATOM 1046 CG MET A 126 -8.364 1.245 -5.939 1.00 0.00 C ATOM 1047 SD MET A 126 -9.793 0.166 -6.218 1.00 0.00 S ATOM 1048 CE MET A 126 -9.984 0.288 -7.998 1.00 0.00 C ATOM 0 H MET A 126 -7.627 3.061 -4.113 1.00 0.00 H new ATOM 0 HA MET A 126 -6.519 3.239 -6.623 1.00 0.00 H new ATOM 0 HB2 MET A 126 -9.465 3.078 -5.829 1.00 0.00 H new ATOM 0 HB3 MET A 126 -8.849 2.706 -7.427 1.00 0.00 H new ATOM 0 HG2 MET A 126 -7.508 0.848 -6.484 1.00 0.00 H new ATOM 0 HG3 MET A 126 -8.105 1.225 -4.880 1.00 0.00 H new ATOM 0 HE1 MET A 126 -10.608 -0.532 -8.354 1.00 0.00 H new ATOM 0 HE2 MET A 126 -10.455 1.238 -8.249 1.00 0.00 H new ATOM 0 HE3 MET A 126 -9.005 0.232 -8.474 1.00 0.00 H new ATOM 1058 N THR A 127 -8.284 5.881 -5.922 1.00 0.00 N ATOM 1059 CA THR A 127 -8.699 7.212 -6.330 1.00 0.00 C ATOM 1060 C THR A 127 -7.485 8.114 -6.708 1.00 0.00 C ATOM 1061 O THR A 127 -7.634 9.093 -7.434 1.00 0.00 O ATOM 1062 CB THR A 127 -9.485 7.871 -5.172 1.00 0.00 C ATOM 1063 OG1 THR A 127 -10.387 6.900 -4.613 1.00 0.00 O ATOM 1064 CG2 THR A 127 -10.295 9.068 -5.662 1.00 0.00 C ATOM 0 H THR A 127 -8.476 5.680 -4.941 1.00 0.00 H new ATOM 0 HA THR A 127 -9.326 7.112 -7.216 1.00 0.00 H new ATOM 0 HB THR A 127 -8.772 8.219 -4.425 1.00 0.00 H new ATOM 0 HG1 THR A 127 -9.951 6.441 -3.865 1.00 0.00 H new ATOM 0 HG21 THR A 127 -10.836 9.509 -4.825 1.00 0.00 H new ATOM 0 HG22 THR A 127 -9.623 9.811 -6.091 1.00 0.00 H new ATOM 0 HG23 THR A 127 -11.006 8.740 -6.421 1.00 0.00 H new ATOM 1072 N TYR A 128 -6.280 7.749 -6.249 1.00 0.00 N ATOM 1073 CA TYR A 128 -5.088 8.591 -6.465 1.00 0.00 C ATOM 1074 C TYR A 128 -4.697 8.640 -7.932 1.00 0.00 C ATOM 1075 O TYR A 128 -4.151 9.623 -8.401 1.00 0.00 O ATOM 1076 CB TYR A 128 -3.870 8.085 -5.631 1.00 0.00 C ATOM 1077 CG TYR A 128 -3.013 6.923 -6.241 1.00 0.00 C ATOM 1078 CD1 TYR A 128 -3.575 5.826 -6.921 1.00 0.00 C ATOM 1079 CD2 TYR A 128 -1.630 6.946 -6.123 1.00 0.00 C ATOM 1080 CE1 TYR A 128 -2.809 4.843 -7.451 1.00 0.00 C ATOM 1081 CE2 TYR A 128 -0.852 5.940 -6.662 1.00 0.00 C ATOM 1082 CZ TYR A 128 -1.455 4.897 -7.329 1.00 0.00 C ATOM 1083 OH TYR A 128 -0.693 3.900 -7.894 1.00 0.00 O ATOM 0 H TYR A 128 -6.102 6.888 -5.732 1.00 0.00 H new ATOM 0 HA TYR A 128 -5.355 9.594 -6.134 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -3.209 8.933 -5.451 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -4.240 7.757 -4.659 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -4.649 5.767 -7.023 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -1.155 7.764 -5.601 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -3.272 4.017 -7.970 1.00 0.00 H new ATOM 0 HE2 TYR A 128 0.223 5.971 -6.561 1.00 0.00 H new ATOM 0 HH TYR A 128 0.243 4.188 -7.937 1.00 0.00 H new ATOM 1093 N ARG A 129 -5.106 7.604 -8.651 1.00 0.00 N ATOM 1094 CA ARG A 129 -4.622 7.307 -9.982 1.00 0.00 C ATOM 1095 C ARG A 129 -5.068 8.344 -11.019 1.00 0.00 C ATOM 1096 O ARG A 129 -4.570 8.356 -12.151 1.00 0.00 O ATOM 1097 CB ARG A 129 -5.082 5.894 -10.380 1.00 0.00 C ATOM 1098 CG ARG A 129 -4.446 5.357 -11.650 1.00 0.00 C ATOM 1099 CD ARG A 129 -3.154 4.528 -11.427 1.00 0.00 C ATOM 1100 NE ARG A 129 -2.081 5.138 -10.599 1.00 0.00 N ATOM 1101 CZ ARG A 129 -1.461 6.340 -10.740 1.00 0.00 C ATOM 1102 NH1 ARG A 129 -1.859 7.260 -11.620 1.00 0.00 N ATOM 1103 NH2 ARG A 129 -0.445 6.618 -9.965 1.00 0.00 N ATOM 0 H ARG A 129 -5.798 6.935 -8.313 1.00 0.00 H new ATOM 0 HA ARG A 129 -3.533 7.350 -9.964 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -4.861 5.210 -9.561 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.165 5.901 -10.506 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -5.175 4.736 -12.171 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -4.215 6.195 -12.307 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -3.437 3.582 -10.966 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -2.732 4.293 -12.404 1.00 0.00 H new ATOM 0 HE ARG A 129 -1.764 4.573 -9.811 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -2.660 7.076 -12.223 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -1.362 8.148 -11.690 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -0.132 5.939 -9.271 1.00 0.00 H new ATOM 0 HH22 ARG A 129 0.034 7.514 -10.054 1.00 0.00 H new ATOM 1117 N ASP A 130 -5.989 9.182 -10.627 1.00 0.00 N ATOM 1118 CA ASP A 130 -6.508 10.232 -11.490 1.00 0.00 C ATOM 1119 C ASP A 130 -5.610 11.470 -11.418 1.00 0.00 C ATOM 1120 O ASP A 130 -5.386 12.151 -12.413 1.00 0.00 O ATOM 1121 CB ASP A 130 -7.941 10.579 -11.060 1.00 0.00 C ATOM 1122 CG ASP A 130 -8.589 11.660 -11.911 1.00 0.00 C ATOM 1123 OD1 ASP A 130 -9.121 11.325 -12.990 1.00 0.00 O ATOM 1124 OD2 ASP A 130 -8.595 12.829 -11.478 1.00 0.00 O ATOM 0 H ASP A 130 -6.409 9.163 -9.697 1.00 0.00 H new ATOM 0 HA ASP A 130 -6.519 9.881 -12.522 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -8.553 9.678 -11.105 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -7.930 10.905 -10.020 1.00 0.00 H new ATOM 1129 N TYR A 131 -5.018 11.702 -10.249 1.00 0.00 N ATOM 1130 CA TYR A 131 -4.233 12.910 -10.050 1.00 0.00 C ATOM 1131 C TYR A 131 -2.737 12.639 -9.969 1.00 0.00 C ATOM 1132 O TYR A 131 -1.932 13.448 -10.435 1.00 0.00 O ATOM 1133 CB TYR A 131 -4.689 13.663 -8.791 1.00 0.00 C ATOM 1134 CG TYR A 131 -6.077 14.273 -8.876 1.00 0.00 C ATOM 1135 CD1 TYR A 131 -6.251 15.564 -9.359 1.00 0.00 C ATOM 1136 CD2 TYR A 131 -7.203 13.571 -8.459 1.00 0.00 C ATOM 1137 CE1 TYR A 131 -7.504 16.141 -9.425 1.00 0.00 C ATOM 1138 CE2 TYR A 131 -8.464 14.142 -8.527 1.00 0.00 C ATOM 1139 CZ TYR A 131 -8.607 15.429 -9.009 1.00 0.00 C ATOM 1140 OH TYR A 131 -9.860 16.010 -9.065 1.00 0.00 O ATOM 0 H TYR A 131 -5.067 11.081 -9.441 1.00 0.00 H new ATOM 0 HA TYR A 131 -4.408 13.530 -10.930 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -4.661 12.976 -7.945 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -3.972 14.457 -8.581 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -5.390 16.127 -9.689 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -7.093 12.567 -8.077 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -7.618 17.147 -9.801 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -9.331 13.584 -8.205 1.00 0.00 H new ATOM 0 HH TYR A 131 -10.530 15.375 -8.736 1.00 0.00 H new ATOM 1150 N VAL A 132 -2.363 11.530 -9.367 1.00 0.00 N ATOM 1151 CA VAL A 132 -0.967 11.182 -9.181 1.00 0.00 C ATOM 1152 C VAL A 132 -0.816 9.707 -9.475 1.00 0.00 C ATOM 1153 O VAL A 132 -0.439 9.333 -10.613 1.00 0.00 O ATOM 1154 CB VAL A 132 -0.471 11.456 -7.708 1.00 0.00 C ATOM 1155 CG1 VAL A 132 1.016 11.136 -7.558 1.00 0.00 C ATOM 1156 CG2 VAL A 132 -0.743 12.895 -7.272 1.00 0.00 C ATOM 1157 OXT VAL A 132 -1.128 8.904 -8.598 1.00 0.00 O ATOM 0 H VAL A 132 -3.017 10.843 -8.992 1.00 0.00 H new ATOM 0 HA VAL A 132 -0.366 11.798 -9.850 1.00 0.00 H new ATOM 0 HB VAL A 132 -1.041 10.794 -7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 132 1.329 11.334 -6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 132 1.188 10.086 -7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 132 1.593 11.760 -8.241 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -0.386 13.040 -6.252 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -0.223 13.582 -7.940 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -1.814 13.091 -7.312 1.00 0.00 H new