USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 389 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 127 TYR OH : rot -145:sc= 0.966 USER MOD Set 1.2: A 136 GLN : amide:sc= 0.462 K(o=1.4,f=-2.8!) USER MOD Set 2.1: A 112 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.13) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -11:sc= 1.06 USER MOD Single : A 99 SER OG : rot 136:sc= 1.23 USER MOD Single : A 103 SER OG : rot 180:sc= -0.0203 USER MOD Single : A 107 CYS SG : rot 54:sc= 0.0806 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= -0.868 USER MOD Single : A 119 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.118) USER MOD Single : A 122 THR OG1 : rot 147:sc= 0.722 USER MOD Single : A 123 CYS SG : rot -16:sc= -4.84! USER MOD Single : A 130 TYR OH : rot -131:sc= 0.116 USER MOD Single : A 132 ASN : amide:sc= -0.0376 K(o=-0.038,f=-1.1) USER MOD Single : A 137 ASN : amide:sc= -0.0398 X(o=-0.04,f=-0.0029) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0.0023 USER MOD ----------------------------------------------------------------- ATOM 115 N TRP A 92 -9.546 -2.403 1.945 1.00 0.00 N ATOM 116 CA TRP A 92 -8.535 -2.495 2.973 1.00 0.00 C ATOM 117 C TRP A 92 -8.986 -1.736 4.200 1.00 0.00 C ATOM 118 O TRP A 92 -9.964 -0.983 4.129 1.00 0.00 O ATOM 119 CB TRP A 92 -7.209 -1.932 2.474 1.00 0.00 C ATOM 120 CG TRP A 92 -6.652 -2.634 1.276 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.970 -2.400 -0.024 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.661 -3.669 1.264 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.258 -3.225 -0.838 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.443 -4.013 -0.078 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.941 -4.339 2.258 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.532 -4.992 -0.460 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -4.038 -5.306 1.878 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.842 -5.624 0.529 1.00 0.00 C ATOM 0 HA TRP A 92 -8.391 -3.545 3.228 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.344 -0.878 2.232 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.479 -1.983 3.282 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.685 -1.665 -0.362 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.323 -3.251 -1.856 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.090 -4.103 3.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.378 -5.241 -1.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.471 -5.829 2.634 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -3.126 -6.389 0.266 1.00 0.00 H new ATOM 139 N LYS A 93 -8.348 -1.971 5.325 1.00 0.00 N ATOM 140 CA LYS A 93 -8.649 -1.226 6.525 1.00 0.00 C ATOM 141 C LYS A 93 -7.370 -0.617 7.066 1.00 0.00 C ATOM 142 O LYS A 93 -6.272 -1.120 6.811 1.00 0.00 O ATOM 143 CB LYS A 93 -9.292 -2.100 7.609 1.00 0.00 C ATOM 144 CG LYS A 93 -8.333 -3.042 8.299 1.00 0.00 C ATOM 145 CD LYS A 93 -9.058 -3.868 9.354 1.00 0.00 C ATOM 146 CE LYS A 93 -8.128 -4.799 10.127 1.00 0.00 C ATOM 147 NZ LYS A 93 -7.636 -5.930 9.318 1.00 0.00 N ATOM 0 H LYS A 93 -7.616 -2.674 5.433 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.367 -0.450 6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.749 -1.453 8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.096 -2.683 7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.873 -3.703 7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.528 -2.473 8.765 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.555 -3.197 10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.837 -4.459 8.872 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.277 -4.227 10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.655 -5.186 10.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.945 -6.477 9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -8.434 -6.543 9.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.181 -5.568 8.456 1.00 0.00 H new ATOM 161 N VAL A 94 -7.510 0.462 7.769 1.00 0.00 N ATOM 162 CA VAL A 94 -6.393 1.112 8.424 1.00 0.00 C ATOM 163 C VAL A 94 -5.828 0.177 9.494 1.00 0.00 C ATOM 164 O VAL A 94 -6.583 -0.350 10.325 1.00 0.00 O ATOM 165 CB VAL A 94 -6.822 2.461 9.060 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.676 3.104 9.814 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.334 3.407 7.997 1.00 0.00 C ATOM 0 H VAL A 94 -8.405 0.929 7.913 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.626 1.328 7.680 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.623 2.253 9.769 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.009 4.047 10.247 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.344 2.437 10.609 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.849 3.292 9.129 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.631 4.348 8.460 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.547 3.594 7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.194 2.962 7.497 1.00 0.00 H new ATOM 177 N GLY A 95 -4.536 -0.047 9.456 1.00 0.00 N ATOM 178 CA GLY A 95 -3.917 -0.926 10.412 1.00 0.00 C ATOM 179 C GLY A 95 -3.639 -2.288 9.827 1.00 0.00 C ATOM 180 O GLY A 95 -3.319 -3.239 10.552 1.00 0.00 O ATOM 0 H GLY A 95 -3.898 0.366 8.776 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.984 -0.484 10.761 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.565 -1.030 11.282 1.00 0.00 H new ATOM 184 N ASP A 96 -3.779 -2.405 8.526 1.00 0.00 N ATOM 185 CA ASP A 96 -3.508 -3.665 7.864 1.00 0.00 C ATOM 186 C ASP A 96 -2.234 -3.544 7.095 1.00 0.00 C ATOM 187 O ASP A 96 -1.874 -2.451 6.651 1.00 0.00 O ATOM 188 CB ASP A 96 -4.597 -4.024 6.885 1.00 0.00 C ATOM 189 CG ASP A 96 -5.001 -5.476 6.965 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.134 -6.372 6.899 1.00 0.00 O ATOM 191 OD2 ASP A 96 -6.204 -5.747 7.124 1.00 0.00 O ATOM 0 H ASP A 96 -4.077 -1.651 7.907 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.447 -4.437 8.631 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.469 -3.398 7.073 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.258 -3.801 5.873 1.00 0.00 H new ATOM 196 N LYS A 97 -1.541 -4.622 6.952 1.00 0.00 N ATOM 197 CA LYS A 97 -0.332 -4.644 6.206 1.00 0.00 C ATOM 198 C LYS A 97 -0.617 -5.005 4.782 1.00 0.00 C ATOM 199 O LYS A 97 -1.556 -5.764 4.491 1.00 0.00 O ATOM 200 CB LYS A 97 0.557 -5.657 6.807 1.00 0.00 C ATOM 201 CG LYS A 97 0.760 -5.415 8.279 1.00 0.00 C ATOM 202 CD LYS A 97 1.422 -6.571 8.912 1.00 0.00 C ATOM 203 CE LYS A 97 2.860 -6.680 8.462 1.00 0.00 C ATOM 204 NZ LYS A 97 3.566 -7.816 9.086 1.00 0.00 N ATOM 0 H LYS A 97 -1.802 -5.522 7.355 1.00 0.00 H new ATOM 0 HA LYS A 97 0.141 -3.662 6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.132 -6.650 6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.521 -5.642 6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.364 -4.519 8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.202 -5.233 8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.383 -6.469 9.997 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.887 -7.486 8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.890 -6.790 7.378 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.383 -5.755 8.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.548 -7.845 8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.563 -7.701 10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.085 -8.704 8.835 1.00 0.00 H new ATOM 218 N CYS A 98 0.188 -4.507 3.910 1.00 0.00 N ATOM 219 CA CYS A 98 0.028 -4.724 2.522 1.00 0.00 C ATOM 220 C CYS A 98 1.374 -4.549 1.843 1.00 0.00 C ATOM 221 O CYS A 98 2.423 -4.506 2.503 1.00 0.00 O ATOM 222 CB CYS A 98 -0.994 -3.713 1.968 1.00 0.00 C ATOM 223 SG CYS A 98 -0.528 -1.995 2.236 1.00 0.00 S ATOM 0 H CYS A 98 0.991 -3.926 4.150 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.339 -5.733 2.332 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.119 -3.884 0.899 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.962 -3.895 2.435 1.00 0.00 H new ATOM 0 HG CYS A 98 0.475 -1.941 3.061 1.00 0.00 H new ATOM 229 N SER A 99 1.344 -4.487 0.575 1.00 0.00 N ATOM 230 CA SER A 99 2.490 -4.220 -0.213 1.00 0.00 C ATOM 231 C SER A 99 2.157 -3.091 -1.148 1.00 0.00 C ATOM 232 O SER A 99 1.024 -2.997 -1.634 1.00 0.00 O ATOM 233 CB SER A 99 2.896 -5.471 -0.959 1.00 0.00 C ATOM 234 OG SER A 99 3.270 -6.485 -0.058 1.00 0.00 O ATOM 0 H SER A 99 0.494 -4.625 0.029 1.00 0.00 H new ATOM 0 HA SER A 99 3.336 -3.926 0.408 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.069 -5.815 -1.580 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.726 -5.248 -1.629 1.00 0.00 H new ATOM 0 HG SER A 99 2.878 -7.337 -0.343 1.00 0.00 H new ATOM 240 N ALA A 100 3.089 -2.221 -1.357 1.00 0.00 N ATOM 241 CA ALA A 100 2.871 -1.077 -2.184 1.00 0.00 C ATOM 242 C ALA A 100 4.005 -0.917 -3.152 1.00 0.00 C ATOM 243 O ALA A 100 5.092 -1.487 -2.955 1.00 0.00 O ATOM 244 CB ALA A 100 2.706 0.169 -1.334 1.00 0.00 C ATOM 0 H ALA A 100 4.026 -2.282 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 100 1.952 -1.223 -2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.541 1.031 -1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.851 0.045 -0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.607 0.327 -0.741 1.00 0.00 H new ATOM 250 N ILE A 101 3.754 -0.183 -4.194 1.00 0.00 N ATOM 251 CA ILE A 101 4.730 0.078 -5.205 1.00 0.00 C ATOM 252 C ILE A 101 5.354 1.399 -4.919 1.00 0.00 C ATOM 253 O ILE A 101 4.702 2.437 -5.043 1.00 0.00 O ATOM 254 CB ILE A 101 4.088 0.086 -6.613 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.682 -1.328 -7.020 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.009 0.717 -7.671 1.00 0.00 C ATOM 257 CD1 ILE A 101 4.825 -2.219 -7.443 1.00 0.00 C ATOM 0 H ILE A 101 2.851 0.258 -4.367 1.00 0.00 H new ATOM 0 HA ILE A 101 5.483 -0.710 -5.193 1.00 0.00 H new ATOM 0 HB ILE A 101 3.195 0.709 -6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.165 -1.797 -6.183 1.00 0.00 H new ATOM 0 HG13 ILE A 101 2.967 -1.264 -7.841 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.514 0.699 -8.642 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.228 1.748 -7.394 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.939 0.151 -7.728 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.439 -3.202 -7.714 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.331 -1.779 -8.302 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.531 -2.321 -6.619 1.00 0.00 H new ATOM 269 N TRP A 102 6.587 1.366 -4.511 1.00 0.00 N ATOM 270 CA TRP A 102 7.279 2.572 -4.187 1.00 0.00 C ATOM 271 C TRP A 102 7.433 3.359 -5.425 1.00 0.00 C ATOM 272 O TRP A 102 8.043 2.905 -6.373 1.00 0.00 O ATOM 273 CB TRP A 102 8.630 2.290 -3.597 1.00 0.00 C ATOM 274 CG TRP A 102 9.208 3.454 -2.868 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.528 4.424 -2.200 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.576 3.746 -2.696 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.403 5.298 -1.634 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.663 4.904 -1.914 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.737 3.148 -3.121 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.868 5.464 -1.557 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.925 3.713 -2.766 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.978 4.861 -1.987 1.00 0.00 C ATOM 0 H TRP A 102 7.134 0.513 -4.395 1.00 0.00 H new ATOM 0 HA TRP A 102 6.704 3.124 -3.443 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.551 1.444 -2.914 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.312 1.994 -4.394 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.452 4.490 -2.129 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.148 6.119 -1.086 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.709 2.251 -3.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.914 6.357 -0.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.846 3.258 -3.098 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.940 5.276 -1.723 1.00 0.00 H new ATOM 293 N SER A 103 6.919 4.536 -5.396 1.00 0.00 N ATOM 294 CA SER A 103 6.878 5.406 -6.523 1.00 0.00 C ATOM 295 C SER A 103 8.264 5.758 -7.042 1.00 0.00 C ATOM 296 O SER A 103 8.436 6.170 -8.184 1.00 0.00 O ATOM 297 CB SER A 103 6.177 6.636 -6.082 1.00 0.00 C ATOM 298 OG SER A 103 4.840 6.349 -5.684 1.00 0.00 O ATOM 0 H SER A 103 6.499 4.937 -4.557 1.00 0.00 H new ATOM 0 HA SER A 103 6.364 4.910 -7.346 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.718 7.089 -5.251 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.170 7.365 -6.892 1.00 0.00 H new ATOM 0 HG SER A 103 4.400 7.176 -5.396 1.00 0.00 H new ATOM 304 N GLU A 104 9.224 5.573 -6.207 1.00 0.00 N ATOM 305 CA GLU A 104 10.569 5.935 -6.503 1.00 0.00 C ATOM 306 C GLU A 104 11.300 4.839 -7.280 1.00 0.00 C ATOM 307 O GLU A 104 11.965 5.122 -8.277 1.00 0.00 O ATOM 308 CB GLU A 104 11.227 6.197 -5.193 1.00 0.00 C ATOM 309 CG GLU A 104 10.441 7.188 -4.380 1.00 0.00 C ATOM 310 CD GLU A 104 10.732 8.605 -4.709 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.333 9.077 -5.775 1.00 0.00 O ATOM 312 OE2 GLU A 104 11.318 9.298 -3.863 1.00 0.00 O ATOM 0 H GLU A 104 9.097 5.159 -5.283 1.00 0.00 H new ATOM 0 HA GLU A 104 10.596 6.815 -7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.325 5.264 -4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.235 6.576 -5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.377 7.002 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.649 7.021 -3.323 1.00 0.00 H new ATOM 319 N ASP A 105 11.119 3.586 -6.875 1.00 0.00 N ATOM 320 CA ASP A 105 11.827 2.476 -7.542 1.00 0.00 C ATOM 321 C ASP A 105 10.908 1.645 -8.393 1.00 0.00 C ATOM 322 O ASP A 105 11.361 0.868 -9.232 1.00 0.00 O ATOM 323 CB ASP A 105 12.519 1.553 -6.526 1.00 0.00 C ATOM 324 CG ASP A 105 13.935 1.960 -6.170 1.00 0.00 C ATOM 325 OD1 ASP A 105 14.143 2.920 -5.410 1.00 0.00 O ATOM 326 OD2 ASP A 105 14.886 1.294 -6.643 1.00 0.00 O ATOM 0 H ASP A 105 10.506 3.308 -6.109 1.00 0.00 H new ATOM 0 HA ASP A 105 12.576 2.945 -8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.922 1.525 -5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.536 0.540 -6.927 1.00 0.00 H new ATOM 331 N GLY A 106 9.618 1.800 -8.175 1.00 0.00 N ATOM 332 CA GLY A 106 8.619 1.064 -8.943 1.00 0.00 C ATOM 333 C GLY A 106 8.465 -0.361 -8.457 1.00 0.00 C ATOM 334 O GLY A 106 7.671 -1.137 -8.982 1.00 0.00 O ATOM 0 H GLY A 106 9.230 2.429 -7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.659 1.576 -8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.902 1.059 -9.995 1.00 0.00 H new ATOM 338 N CYS A 107 9.226 -0.690 -7.459 1.00 0.00 N ATOM 339 CA CYS A 107 9.274 -1.982 -6.905 1.00 0.00 C ATOM 340 C CYS A 107 8.256 -2.155 -5.788 1.00 0.00 C ATOM 341 O CYS A 107 7.740 -1.171 -5.236 1.00 0.00 O ATOM 342 CB CYS A 107 10.666 -2.187 -6.401 1.00 0.00 C ATOM 343 SG CYS A 107 11.925 -2.173 -7.680 1.00 0.00 S ATOM 0 H CYS A 107 9.851 -0.029 -6.999 1.00 0.00 H new ATOM 0 HA CYS A 107 9.020 -2.726 -7.660 1.00 0.00 H new ATOM 0 HB2 CYS A 107 10.895 -1.408 -5.674 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.712 -3.139 -5.873 1.00 0.00 H new ATOM 0 HG CYS A 107 11.823 -1.080 -8.377 1.00 0.00 H new ATOM 349 N ILE A 108 7.980 -3.395 -5.463 1.00 0.00 N ATOM 350 CA ILE A 108 7.052 -3.743 -4.421 1.00 0.00 C ATOM 351 C ILE A 108 7.778 -3.806 -3.094 1.00 0.00 C ATOM 352 O ILE A 108 8.830 -4.455 -2.974 1.00 0.00 O ATOM 353 CB ILE A 108 6.423 -5.121 -4.658 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.925 -5.244 -6.094 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.282 -5.320 -3.672 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.258 -6.568 -6.415 1.00 0.00 C ATOM 0 H ILE A 108 8.402 -4.201 -5.924 1.00 0.00 H new ATOM 0 HA ILE A 108 6.272 -2.981 -4.418 1.00 0.00 H new ATOM 0 HB ILE A 108 7.174 -5.895 -4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.218 -4.438 -6.291 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.767 -5.102 -6.771 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.828 -6.298 -3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.667 -5.262 -2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.532 -4.543 -3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.935 -6.570 -7.456 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.966 -7.381 -6.254 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.393 -6.706 -5.766 1.00 0.00 H new ATOM 368 N TYR A 109 7.229 -3.159 -2.124 1.00 0.00 N ATOM 369 CA TYR A 109 7.785 -3.128 -0.802 1.00 0.00 C ATOM 370 C TYR A 109 6.684 -3.314 0.222 1.00 0.00 C ATOM 371 O TYR A 109 5.520 -2.982 -0.056 1.00 0.00 O ATOM 372 CB TYR A 109 8.493 -1.813 -0.548 1.00 0.00 C ATOM 373 CG TYR A 109 9.714 -1.548 -1.402 1.00 0.00 C ATOM 374 CD1 TYR A 109 9.595 -0.947 -2.637 1.00 0.00 C ATOM 375 CD2 TYR A 109 10.987 -1.838 -0.939 1.00 0.00 C ATOM 376 CE1 TYR A 109 10.696 -0.645 -3.391 1.00 0.00 C ATOM 377 CE2 TYR A 109 12.107 -1.526 -1.688 1.00 0.00 C ATOM 378 CZ TYR A 109 11.951 -0.927 -2.916 1.00 0.00 C ATOM 379 OH TYR A 109 13.053 -0.592 -3.667 1.00 0.00 O ATOM 0 H TYR A 109 6.366 -2.625 -2.222 1.00 0.00 H new ATOM 0 HA TYR A 109 8.509 -3.938 -0.715 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.781 -1.002 -0.704 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.791 -1.779 0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.612 -0.710 -3.017 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.107 -2.315 0.022 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.577 -0.184 -4.361 1.00 0.00 H new ATOM 0 HE2 TYR A 109 13.094 -1.751 -1.312 1.00 0.00 H new ATOM 0 HH TYR A 109 13.867 -0.858 -3.190 1.00 0.00 H new ATOM 389 N PRO A 110 7.014 -3.870 1.402 1.00 0.00 N ATOM 390 CA PRO A 110 6.041 -4.065 2.470 1.00 0.00 C ATOM 391 C PRO A 110 5.644 -2.728 3.094 1.00 0.00 C ATOM 392 O PRO A 110 6.503 -1.910 3.459 1.00 0.00 O ATOM 393 CB PRO A 110 6.790 -4.931 3.484 1.00 0.00 C ATOM 394 CG PRO A 110 8.232 -4.633 3.257 1.00 0.00 C ATOM 395 CD PRO A 110 8.370 -4.330 1.797 1.00 0.00 C ATOM 0 HA PRO A 110 5.115 -4.522 2.120 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.493 -4.689 4.505 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.577 -5.989 3.332 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.555 -3.786 3.863 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.854 -5.482 3.539 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.122 -3.561 1.617 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.674 -5.211 1.232 1.00 0.00 H new ATOM 403 N ALA A 111 4.372 -2.501 3.214 1.00 0.00 N ATOM 404 CA ALA A 111 3.883 -1.269 3.745 1.00 0.00 C ATOM 405 C ALA A 111 2.625 -1.503 4.533 1.00 0.00 C ATOM 406 O ALA A 111 1.834 -2.367 4.207 1.00 0.00 O ATOM 407 CB ALA A 111 3.633 -0.281 2.633 1.00 0.00 C ATOM 0 H ALA A 111 3.645 -3.165 2.946 1.00 0.00 H new ATOM 0 HA ALA A 111 4.638 -0.854 4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.261 0.653 3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.564 -0.093 2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.894 -0.689 1.943 1.00 0.00 H new ATOM 413 N THR A 112 2.428 -0.734 5.540 1.00 0.00 N ATOM 414 CA THR A 112 1.279 -0.902 6.383 1.00 0.00 C ATOM 415 C THR A 112 0.372 0.319 6.231 1.00 0.00 C ATOM 416 O THR A 112 0.857 1.448 6.200 1.00 0.00 O ATOM 417 CB THR A 112 1.709 -1.090 7.859 1.00 0.00 C ATOM 418 OG1 THR A 112 2.754 -2.087 7.923 1.00 0.00 O ATOM 419 CG2 THR A 112 0.539 -1.588 8.690 1.00 0.00 C ATOM 0 H THR A 112 3.049 0.029 5.811 1.00 0.00 H new ATOM 0 HA THR A 112 0.733 -1.797 6.083 1.00 0.00 H new ATOM 0 HB THR A 112 2.057 -0.132 8.246 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.032 -2.210 8.855 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.856 -1.716 9.725 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.273 -0.863 8.646 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.194 -2.544 8.296 1.00 0.00 H new ATOM 427 N ILE A 113 -0.915 0.088 6.112 1.00 0.00 N ATOM 428 CA ILE A 113 -1.889 1.149 5.905 1.00 0.00 C ATOM 429 C ILE A 113 -2.003 2.021 7.147 1.00 0.00 C ATOM 430 O ILE A 113 -2.357 1.533 8.232 1.00 0.00 O ATOM 431 CB ILE A 113 -3.256 0.540 5.593 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.125 -0.412 4.417 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.266 1.639 5.273 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.287 -1.335 4.278 1.00 0.00 C ATOM 0 H ILE A 113 -1.324 -0.845 6.156 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.557 1.764 5.069 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.612 -0.009 6.465 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.017 0.167 3.500 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.214 -0.999 4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.235 1.190 5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.361 2.306 6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.924 2.207 4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.132 -1.989 3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.383 -1.938 5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.198 -0.754 4.132 1.00 0.00 H new ATOM 446 N ALA A 114 -1.714 3.284 6.987 1.00 0.00 N ATOM 447 CA ALA A 114 -1.753 4.232 8.074 1.00 0.00 C ATOM 448 C ALA A 114 -3.065 5.001 8.071 1.00 0.00 C ATOM 449 O ALA A 114 -3.551 5.415 9.128 1.00 0.00 O ATOM 450 CB ALA A 114 -0.589 5.195 7.971 1.00 0.00 C ATOM 0 H ALA A 114 -1.442 3.690 6.092 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.677 3.680 9.011 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.630 5.905 8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.348 4.640 8.016 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.646 5.735 7.026 1.00 0.00 H new ATOM 456 N SER A 115 -3.624 5.202 6.891 1.00 0.00 N ATOM 457 CA SER A 115 -4.880 5.902 6.726 1.00 0.00 C ATOM 458 C SER A 115 -5.466 5.565 5.361 1.00 0.00 C ATOM 459 O SER A 115 -4.727 5.176 4.467 1.00 0.00 O ATOM 460 CB SER A 115 -4.637 7.409 6.849 1.00 0.00 C ATOM 461 OG SER A 115 -3.586 7.816 5.986 1.00 0.00 O ATOM 0 H SER A 115 -3.213 4.880 6.014 1.00 0.00 H new ATOM 0 HA SER A 115 -5.586 5.595 7.498 1.00 0.00 H new ATOM 0 HB2 SER A 115 -5.549 7.952 6.601 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.387 7.660 7.880 1.00 0.00 H new ATOM 0 HG SER A 115 -3.445 8.782 6.075 1.00 0.00 H new ATOM 467 N ILE A 116 -6.778 5.666 5.215 1.00 0.00 N ATOM 468 CA ILE A 116 -7.454 5.427 3.950 1.00 0.00 C ATOM 469 C ILE A 116 -8.359 6.608 3.629 1.00 0.00 C ATOM 470 O ILE A 116 -9.109 7.076 4.486 1.00 0.00 O ATOM 471 CB ILE A 116 -8.328 4.140 3.988 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.478 2.925 4.326 1.00 0.00 C ATOM 473 CG2 ILE A 116 -9.056 3.927 2.652 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.263 1.659 4.450 1.00 0.00 C ATOM 0 H ILE A 116 -7.408 5.918 5.977 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.684 5.301 3.189 1.00 0.00 H new ATOM 0 HB ILE A 116 -9.079 4.268 4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.719 2.797 3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.952 3.109 5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.659 3.021 2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.702 4.781 2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.324 3.828 1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.590 0.836 4.692 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -9.004 1.767 5.242 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.767 1.450 3.507 1.00 0.00 H new ATOM 486 N ASP A 117 -8.284 7.081 2.423 1.00 0.00 N ATOM 487 CA ASP A 117 -9.128 8.148 1.965 1.00 0.00 C ATOM 488 C ASP A 117 -10.124 7.565 1.005 1.00 0.00 C ATOM 489 O ASP A 117 -9.801 7.254 -0.144 1.00 0.00 O ATOM 490 CB ASP A 117 -8.334 9.246 1.275 1.00 0.00 C ATOM 491 CG ASP A 117 -9.195 10.454 0.995 1.00 0.00 C ATOM 492 OD1 ASP A 117 -9.905 10.491 -0.018 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.187 11.396 1.822 1.00 0.00 O ATOM 0 H ASP A 117 -7.630 6.736 1.720 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.623 8.602 2.823 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.490 9.536 1.901 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.921 8.866 0.340 1.00 0.00 H new ATOM 498 N PHE A 118 -11.317 7.388 1.478 1.00 0.00 N ATOM 499 CA PHE A 118 -12.367 6.753 0.719 1.00 0.00 C ATOM 500 C PHE A 118 -12.888 7.637 -0.404 1.00 0.00 C ATOM 501 O PHE A 118 -13.552 7.160 -1.316 1.00 0.00 O ATOM 502 CB PHE A 118 -13.497 6.325 1.642 1.00 0.00 C ATOM 503 CG PHE A 118 -13.093 5.277 2.644 1.00 0.00 C ATOM 504 CD1 PHE A 118 -13.138 3.939 2.312 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.658 5.634 3.912 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.759 2.973 3.220 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.275 4.672 4.822 1.00 0.00 C ATOM 508 CZ PHE A 118 -12.327 3.339 4.476 1.00 0.00 C ATOM 0 H PHE A 118 -11.601 7.681 2.413 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.939 5.869 0.247 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.871 7.200 2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.321 5.942 1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -13.474 3.644 1.329 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.619 6.677 4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.801 1.929 2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.935 4.963 5.805 1.00 0.00 H new ATOM 0 HZ PHE A 118 -12.030 2.583 5.188 1.00 0.00 H new ATOM 518 N LYS A 119 -12.598 8.912 -0.339 1.00 0.00 N ATOM 519 CA LYS A 119 -13.009 9.819 -1.383 1.00 0.00 C ATOM 520 C LYS A 119 -12.162 9.613 -2.631 1.00 0.00 C ATOM 521 O LYS A 119 -12.679 9.621 -3.751 1.00 0.00 O ATOM 522 CB LYS A 119 -12.936 11.266 -0.912 1.00 0.00 C ATOM 523 CG LYS A 119 -13.893 11.588 0.218 1.00 0.00 C ATOM 524 CD LYS A 119 -13.715 13.012 0.688 1.00 0.00 C ATOM 525 CE LYS A 119 -14.701 13.379 1.793 1.00 0.00 C ATOM 526 NZ LYS A 119 -14.590 12.497 2.979 1.00 0.00 N ATOM 0 H LYS A 119 -12.079 9.346 0.425 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.048 9.602 -1.632 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -11.918 11.482 -0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.148 11.924 -1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.920 11.437 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -13.724 10.903 1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -12.697 13.149 1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -13.847 13.691 -0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -14.531 14.412 2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -15.716 13.326 1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -15.183 12.872 3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.910 11.539 2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.599 12.461 3.293 1.00 0.00 H new ATOM 540 N ARG A 120 -10.873 9.401 -2.446 1.00 0.00 N ATOM 541 CA ARG A 120 -9.978 9.207 -3.578 1.00 0.00 C ATOM 542 C ARG A 120 -9.731 7.737 -3.855 1.00 0.00 C ATOM 543 O ARG A 120 -9.098 7.393 -4.866 1.00 0.00 O ATOM 544 CB ARG A 120 -8.645 9.898 -3.322 1.00 0.00 C ATOM 545 CG ARG A 120 -8.753 11.382 -3.076 1.00 0.00 C ATOM 546 CD ARG A 120 -9.306 12.111 -4.275 1.00 0.00 C ATOM 547 NE ARG A 120 -9.420 13.549 -4.034 1.00 0.00 N ATOM 548 CZ ARG A 120 -10.414 14.315 -4.480 1.00 0.00 C ATOM 549 NH1 ARG A 120 -11.371 13.803 -5.256 1.00 0.00 N ATOM 550 NH2 ARG A 120 -10.434 15.601 -4.178 1.00 0.00 N ATOM 0 H ARG A 120 -10.422 9.358 -1.532 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.462 9.645 -4.451 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.167 9.432 -2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -7.992 9.730 -4.178 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.395 11.561 -2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.769 11.782 -2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.660 11.937 -5.135 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.286 11.706 -4.526 1.00 0.00 H new ATOM 0 HE ARG A 120 -8.686 13.997 -3.485 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -11.346 12.816 -5.513 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -12.128 14.398 -5.592 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -9.691 16.002 -3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -11.193 16.193 -4.517 1.00 0.00 H new ATOM 564 N GLU A 121 -10.234 6.869 -2.959 1.00 0.00 N ATOM 565 CA GLU A 121 -10.017 5.415 -3.037 1.00 0.00 C ATOM 566 C GLU A 121 -8.540 5.104 -2.894 1.00 0.00 C ATOM 567 O GLU A 121 -8.018 4.099 -3.429 1.00 0.00 O ATOM 568 CB GLU A 121 -10.588 4.836 -4.331 1.00 0.00 C ATOM 569 CG GLU A 121 -12.089 4.741 -4.334 1.00 0.00 C ATOM 570 CD GLU A 121 -12.582 3.645 -3.420 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.718 2.491 -3.884 1.00 0.00 O ATOM 572 OE2 GLU A 121 -12.845 3.899 -2.239 1.00 0.00 O ATOM 0 H GLU A 121 -10.802 7.156 -2.162 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.550 4.940 -2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.269 5.456 -5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.169 3.843 -4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.514 5.694 -4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.440 4.553 -5.349 1.00 0.00 H new ATOM 579 N THR A 122 -7.880 5.938 -2.152 1.00 0.00 N ATOM 580 CA THR A 122 -6.481 5.811 -1.916 1.00 0.00 C ATOM 581 C THR A 122 -6.218 5.666 -0.425 1.00 0.00 C ATOM 582 O THR A 122 -7.109 5.858 0.384 1.00 0.00 O ATOM 583 CB THR A 122 -5.710 7.027 -2.472 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.238 8.242 -1.919 1.00 0.00 O ATOM 585 CG2 THR A 122 -5.791 7.091 -3.989 1.00 0.00 C ATOM 0 H THR A 122 -8.308 6.738 -1.687 1.00 0.00 H new ATOM 0 HA THR A 122 -6.128 4.920 -2.434 1.00 0.00 H new ATOM 0 HB THR A 122 -4.665 6.913 -2.186 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.515 8.895 -1.813 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.237 7.959 -4.347 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.360 6.185 -4.415 1.00 0.00 H new ATOM 0 HG23 THR A 122 -6.834 7.175 -4.294 1.00 0.00 H new ATOM 593 N CYS A 123 -5.040 5.281 -0.076 1.00 0.00 N ATOM 594 CA CYS A 123 -4.656 5.138 1.294 1.00 0.00 C ATOM 595 C CYS A 123 -3.193 5.434 1.449 1.00 0.00 C ATOM 596 O CYS A 123 -2.417 5.226 0.517 1.00 0.00 O ATOM 597 CB CYS A 123 -4.955 3.729 1.761 1.00 0.00 C ATOM 598 SG CYS A 123 -4.294 2.465 0.667 1.00 0.00 S ATOM 0 H CYS A 123 -4.301 5.052 -0.741 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.223 5.843 1.902 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.541 3.589 2.760 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -6.034 3.602 1.842 1.00 0.00 H new ATOM 0 HG CYS A 123 -3.976 3.001 -0.474 1.00 0.00 H new ATOM 604 N VAL A 124 -2.814 5.886 2.599 1.00 0.00 N ATOM 605 CA VAL A 124 -1.445 6.165 2.883 1.00 0.00 C ATOM 606 C VAL A 124 -0.870 4.959 3.576 1.00 0.00 C ATOM 607 O VAL A 124 -1.467 4.436 4.526 1.00 0.00 O ATOM 608 CB VAL A 124 -1.281 7.412 3.790 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.185 7.654 4.123 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.883 8.644 3.125 1.00 0.00 C ATOM 0 H VAL A 124 -3.450 6.073 3.374 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.924 6.378 1.950 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.817 7.223 4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.273 8.534 4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.587 6.786 4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.745 7.815 3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.757 9.508 3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.378 8.829 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.945 8.477 2.944 1.00 0.00 H new ATOM 620 N VAL A 125 0.250 4.505 3.110 1.00 0.00 N ATOM 621 CA VAL A 125 0.878 3.356 3.670 1.00 0.00 C ATOM 622 C VAL A 125 2.287 3.722 4.108 1.00 0.00 C ATOM 623 O VAL A 125 2.928 4.593 3.519 1.00 0.00 O ATOM 624 CB VAL A 125 0.950 2.171 2.648 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.425 1.775 2.126 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.895 2.490 1.491 1.00 0.00 C ATOM 0 H VAL A 125 0.754 4.923 2.328 1.00 0.00 H new ATOM 0 HA VAL A 125 0.281 3.029 4.521 1.00 0.00 H new ATOM 0 HB VAL A 125 1.351 1.315 3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.323 0.950 1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.055 1.464 2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.883 2.627 1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.922 1.647 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.541 3.378 0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.897 2.673 1.879 1.00 0.00 H new ATOM 636 N VAL A 126 2.731 3.096 5.148 1.00 0.00 N ATOM 637 CA VAL A 126 4.050 3.294 5.672 1.00 0.00 C ATOM 638 C VAL A 126 4.896 2.102 5.332 1.00 0.00 C ATOM 639 O VAL A 126 4.561 0.980 5.699 1.00 0.00 O ATOM 640 CB VAL A 126 4.040 3.507 7.209 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.466 3.506 7.769 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.331 4.814 7.560 1.00 0.00 C ATOM 0 H VAL A 126 2.178 2.417 5.671 1.00 0.00 H new ATOM 0 HA VAL A 126 4.462 4.196 5.220 1.00 0.00 H new ATOM 0 HB VAL A 126 3.495 2.680 7.664 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.433 3.657 8.848 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.942 2.550 7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.039 4.310 7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.332 4.949 8.642 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.852 5.648 7.089 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.303 4.778 7.200 1.00 0.00 H new ATOM 652 N TYR A 127 5.967 2.342 4.628 1.00 0.00 N ATOM 653 CA TYR A 127 6.865 1.299 4.220 1.00 0.00 C ATOM 654 C TYR A 127 7.630 0.778 5.402 1.00 0.00 C ATOM 655 O TYR A 127 8.446 1.500 6.029 1.00 0.00 O ATOM 656 CB TYR A 127 7.803 1.774 3.139 1.00 0.00 C ATOM 657 CG TYR A 127 7.105 2.143 1.861 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.667 1.156 0.986 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.883 3.467 1.523 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.036 1.479 -0.187 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.244 3.797 0.358 1.00 0.00 C ATOM 662 CZ TYR A 127 5.822 2.805 -0.497 1.00 0.00 C ATOM 663 OH TYR A 127 5.151 3.137 -1.657 1.00 0.00 O ATOM 0 H TYR A 127 6.243 3.274 4.319 1.00 0.00 H new ATOM 0 HA TYR A 127 6.272 0.485 3.804 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.357 2.639 3.504 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.533 0.991 2.932 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.827 0.117 1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.218 4.250 2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.709 0.702 -0.862 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.071 4.834 0.111 1.00 0.00 H new ATOM 0 HH TYR A 127 5.526 3.963 -2.027 1.00 0.00 H new ATOM 673 N THR A 128 7.364 -0.447 5.692 1.00 0.00 N ATOM 674 CA THR A 128 7.888 -1.136 6.809 1.00 0.00 C ATOM 675 C THR A 128 9.400 -1.321 6.675 1.00 0.00 C ATOM 676 O THR A 128 9.900 -1.726 5.620 1.00 0.00 O ATOM 677 CB THR A 128 7.198 -2.496 6.886 1.00 0.00 C ATOM 678 OG1 THR A 128 5.767 -2.299 6.906 1.00 0.00 O ATOM 679 CG2 THR A 128 7.642 -3.264 8.109 1.00 0.00 C ATOM 0 H THR A 128 6.742 -1.022 5.124 1.00 0.00 H new ATOM 0 HA THR A 128 7.706 -0.561 7.717 1.00 0.00 H new ATOM 0 HB THR A 128 7.475 -3.083 6.011 1.00 0.00 H new ATOM 0 HG1 THR A 128 5.318 -3.169 6.954 1.00 0.00 H new ATOM 0 HG21 THR A 128 7.134 -4.228 8.137 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.720 -3.422 8.068 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.393 -2.696 9.005 1.00 0.00 H new ATOM 687 N GLY A 129 10.112 -0.974 7.723 1.00 0.00 N ATOM 688 CA GLY A 129 11.538 -1.118 7.742 1.00 0.00 C ATOM 689 C GLY A 129 12.241 0.140 7.320 1.00 0.00 C ATOM 690 O GLY A 129 13.414 0.352 7.652 1.00 0.00 O ATOM 0 H GLY A 129 9.715 -0.586 8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.860 -1.393 8.746 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.828 -1.934 7.080 1.00 0.00 H new ATOM 694 N TYR A 130 11.541 0.995 6.608 1.00 0.00 N ATOM 695 CA TYR A 130 12.153 2.194 6.102 1.00 0.00 C ATOM 696 C TYR A 130 11.655 3.409 6.848 1.00 0.00 C ATOM 697 O TYR A 130 12.442 4.193 7.369 1.00 0.00 O ATOM 698 CB TYR A 130 11.892 2.341 4.619 1.00 0.00 C ATOM 699 CG TYR A 130 12.392 1.191 3.769 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.740 1.053 3.474 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.510 0.256 3.249 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.193 0.013 2.683 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.952 -0.782 2.458 1.00 0.00 C ATOM 704 CZ TYR A 130 13.293 -0.900 2.176 1.00 0.00 C ATOM 705 OH TYR A 130 13.742 -1.941 1.383 1.00 0.00 O ATOM 0 H TYR A 130 10.556 0.880 6.370 1.00 0.00 H new ATOM 0 HA TYR A 130 13.229 2.115 6.258 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.819 2.450 4.462 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.360 3.262 4.271 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.447 1.768 3.868 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.456 0.343 3.468 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.246 -0.083 2.464 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.249 -1.499 2.061 1.00 0.00 H new ATOM 0 HH TYR A 130 13.200 -1.989 0.568 1.00 0.00 H new ATOM 715 N GLY A 131 10.349 3.555 6.921 1.00 0.00 N ATOM 716 CA GLY A 131 9.798 4.682 7.626 1.00 0.00 C ATOM 717 C GLY A 131 9.273 5.776 6.716 1.00 0.00 C ATOM 718 O GLY A 131 9.159 6.936 7.134 1.00 0.00 O ATOM 0 H GLY A 131 9.665 2.920 6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.988 4.336 8.268 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.565 5.101 8.278 1.00 0.00 H new ATOM 722 N ASN A 132 8.987 5.449 5.471 1.00 0.00 N ATOM 723 CA ASN A 132 8.348 6.438 4.591 1.00 0.00 C ATOM 724 C ASN A 132 6.899 6.147 4.488 1.00 0.00 C ATOM 725 O ASN A 132 6.469 5.032 4.755 1.00 0.00 O ATOM 726 CB ASN A 132 8.907 6.526 3.162 1.00 0.00 C ATOM 727 CG ASN A 132 10.259 7.192 3.032 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.645 8.019 3.852 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.961 6.882 1.975 1.00 0.00 N ATOM 0 H ASN A 132 9.175 4.541 5.046 1.00 0.00 H new ATOM 0 HA ASN A 132 8.560 7.397 5.064 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.978 5.517 2.755 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.193 7.070 2.544 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.861 7.332 1.811 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.609 6.190 1.314 1.00 0.00 H new ATOM 736 N ARG A 133 6.157 7.113 4.074 1.00 0.00 N ATOM 737 CA ARG A 133 4.748 6.968 3.915 1.00 0.00 C ATOM 738 C ARG A 133 4.361 7.515 2.562 1.00 0.00 C ATOM 739 O ARG A 133 4.854 8.569 2.141 1.00 0.00 O ATOM 740 CB ARG A 133 3.992 7.625 5.098 1.00 0.00 C ATOM 741 CG ARG A 133 4.138 9.135 5.237 1.00 0.00 C ATOM 742 CD ARG A 133 3.075 9.889 4.468 1.00 0.00 C ATOM 743 NE ARG A 133 3.228 11.339 4.614 1.00 0.00 N ATOM 744 CZ ARG A 133 2.328 12.260 4.252 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.211 11.908 3.623 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.576 13.535 4.495 1.00 0.00 N ATOM 0 H ARG A 133 6.513 8.038 3.833 1.00 0.00 H new ATOM 0 HA ARG A 133 4.459 5.917 3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 133 2.932 7.391 4.999 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.335 7.162 6.023 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.083 9.407 6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.123 9.437 4.881 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.130 9.621 3.413 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.088 9.589 4.822 1.00 0.00 H new ATOM 0 HE ARG A 133 4.097 11.676 5.028 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.033 10.926 3.411 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.532 12.620 3.352 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.446 13.807 4.954 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.898 14.247 4.224 1.00 0.00 H new ATOM 760 N GLU A 134 3.535 6.804 1.884 1.00 0.00 N ATOM 761 CA GLU A 134 3.167 7.130 0.558 1.00 0.00 C ATOM 762 C GLU A 134 1.716 6.753 0.339 1.00 0.00 C ATOM 763 O GLU A 134 1.226 5.818 0.963 1.00 0.00 O ATOM 764 CB GLU A 134 4.126 6.394 -0.370 1.00 0.00 C ATOM 765 CG GLU A 134 3.839 6.492 -1.818 1.00 0.00 C ATOM 766 CD GLU A 134 5.112 6.403 -2.624 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.838 7.427 -2.710 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.427 5.323 -3.177 1.00 0.00 O ATOM 0 H GLU A 134 3.087 5.961 2.245 1.00 0.00 H new ATOM 0 HA GLU A 134 3.243 8.198 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.132 6.774 -0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.130 5.340 -0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.160 5.693 -2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.334 7.434 -2.030 1.00 0.00 H new ATOM 775 N GLU A 135 1.038 7.469 -0.519 1.00 0.00 N ATOM 776 CA GLU A 135 -0.355 7.256 -0.738 1.00 0.00 C ATOM 777 C GLU A 135 -0.540 6.505 -2.021 1.00 0.00 C ATOM 778 O GLU A 135 -0.060 6.910 -3.080 1.00 0.00 O ATOM 779 CB GLU A 135 -1.107 8.572 -0.755 1.00 0.00 C ATOM 780 CG GLU A 135 -2.617 8.407 -0.758 1.00 0.00 C ATOM 781 CD GLU A 135 -3.356 9.712 -0.746 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.155 10.523 0.194 1.00 0.00 O ATOM 783 OE2 GLU A 135 -4.143 9.960 -1.681 1.00 0.00 O ATOM 0 H GLU A 135 1.443 8.216 -1.083 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.764 6.664 0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.815 9.159 0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.810 9.140 -1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.912 7.839 -1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.913 7.821 0.112 1.00 0.00 H new ATOM 790 N GLN A 136 -1.208 5.410 -1.907 1.00 0.00 N ATOM 791 CA GLN A 136 -1.395 4.483 -2.978 1.00 0.00 C ATOM 792 C GLN A 136 -2.864 4.203 -3.109 1.00 0.00 C ATOM 793 O GLN A 136 -3.622 4.481 -2.197 1.00 0.00 O ATOM 794 CB GLN A 136 -0.663 3.201 -2.622 1.00 0.00 C ATOM 795 CG GLN A 136 0.796 3.431 -2.257 1.00 0.00 C ATOM 796 CD GLN A 136 1.680 3.680 -3.459 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.241 4.181 -4.507 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.919 3.417 -3.305 1.00 0.00 N ATOM 0 H GLN A 136 -1.656 5.122 -1.037 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.012 4.883 -3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.170 2.720 -1.785 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.717 2.512 -3.465 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.864 4.283 -1.581 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.169 2.563 -1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.248 3.005 -2.432 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.580 3.618 -4.055 1.00 0.00 H new ATOM 807 N ASN A 137 -3.263 3.658 -4.210 1.00 0.00 N ATOM 808 CA ASN A 137 -4.667 3.345 -4.441 1.00 0.00 C ATOM 809 C ASN A 137 -4.961 2.033 -3.800 1.00 0.00 C ATOM 810 O ASN A 137 -4.133 1.136 -3.846 1.00 0.00 O ATOM 811 CB ASN A 137 -4.971 3.214 -5.932 1.00 0.00 C ATOM 812 CG ASN A 137 -4.561 4.408 -6.752 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.347 5.330 -6.985 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.318 4.426 -7.167 1.00 0.00 N ATOM 0 H ASN A 137 -2.643 3.411 -4.982 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.274 4.150 -4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.464 2.330 -6.319 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.041 3.049 -6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -2.971 5.222 -7.703 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.698 3.644 -6.954 1.00 0.00 H new ATOM 821 N LEU A 138 -6.126 1.919 -3.226 1.00 0.00 N ATOM 822 CA LEU A 138 -6.587 0.678 -2.578 1.00 0.00 C ATOM 823 C LEU A 138 -6.534 -0.506 -3.539 1.00 0.00 C ATOM 824 O LEU A 138 -6.084 -1.570 -3.185 1.00 0.00 O ATOM 825 CB LEU A 138 -8.005 0.873 -2.044 1.00 0.00 C ATOM 826 CG LEU A 138 -8.155 1.938 -0.974 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.613 2.310 -0.813 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.597 1.432 0.341 1.00 0.00 C ATOM 0 H LEU A 138 -6.804 2.680 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 138 -5.917 0.455 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.658 1.126 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.357 -0.076 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.598 2.825 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.710 3.075 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.997 2.695 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.184 1.428 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.708 2.202 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.140 0.538 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.541 1.192 0.220 1.00 0.00 H new ATOM 840 N SER A 139 -6.937 -0.281 -4.768 1.00 0.00 N ATOM 841 CA SER A 139 -6.931 -1.330 -5.779 1.00 0.00 C ATOM 842 C SER A 139 -5.509 -1.595 -6.301 1.00 0.00 C ATOM 843 O SER A 139 -5.234 -2.648 -6.887 1.00 0.00 O ATOM 844 CB SER A 139 -7.852 -0.948 -6.943 1.00 0.00 C ATOM 845 OG SER A 139 -9.187 -0.718 -6.492 1.00 0.00 O ATOM 0 H SER A 139 -7.276 0.622 -5.100 1.00 0.00 H new ATOM 0 HA SER A 139 -7.298 -2.245 -5.314 1.00 0.00 H new ATOM 0 HB2 SER A 139 -7.471 -0.051 -7.432 1.00 0.00 H new ATOM 0 HB3 SER A 139 -7.849 -1.743 -7.688 1.00 0.00 H new ATOM 0 HG SER A 139 -9.752 -0.474 -7.254 1.00 0.00 H new ATOM 851 N ASP A 140 -4.601 -0.669 -6.029 1.00 0.00 N ATOM 852 CA ASP A 140 -3.237 -0.766 -6.562 1.00 0.00 C ATOM 853 C ASP A 140 -2.335 -1.410 -5.526 1.00 0.00 C ATOM 854 O ASP A 140 -1.172 -1.760 -5.796 1.00 0.00 O ATOM 855 CB ASP A 140 -2.694 0.617 -6.961 1.00 0.00 C ATOM 856 CG ASP A 140 -1.331 0.550 -7.623 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.213 0.011 -8.743 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.352 1.021 -7.020 1.00 0.00 O ATOM 0 H ASP A 140 -4.774 0.152 -5.449 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.258 -1.383 -7.460 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.399 1.096 -7.641 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.630 1.246 -6.073 1.00 0.00 H new ATOM 863 N LEU A 141 -2.870 -1.563 -4.336 1.00 0.00 N ATOM 864 CA LEU A 141 -2.168 -2.218 -3.265 1.00 0.00 C ATOM 865 C LEU A 141 -1.945 -3.664 -3.597 1.00 0.00 C ATOM 866 O LEU A 141 -2.559 -4.211 -4.505 1.00 0.00 O ATOM 867 CB LEU A 141 -2.910 -2.103 -1.948 1.00 0.00 C ATOM 868 CG LEU A 141 -3.054 -0.710 -1.369 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.719 -0.786 -0.021 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.704 -0.025 -1.267 1.00 0.00 C ATOM 0 H LEU A 141 -3.804 -1.236 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.207 -1.716 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.908 -2.521 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.399 -2.726 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.678 -0.115 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.821 0.218 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.706 -1.236 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.113 -1.395 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.833 0.973 -0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.048 -0.608 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.259 0.052 -2.259 1.00 0.00 H new ATOM 882 N LEU A 142 -1.071 -4.267 -2.900 1.00 0.00 N ATOM 883 CA LEU A 142 -0.718 -5.626 -3.149 1.00 0.00 C ATOM 884 C LEU A 142 -0.750 -6.375 -1.840 1.00 0.00 C ATOM 885 O LEU A 142 -0.737 -5.748 -0.769 1.00 0.00 O ATOM 886 CB LEU A 142 0.673 -5.640 -3.775 1.00 0.00 C ATOM 887 CG LEU A 142 0.800 -4.846 -5.075 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.238 -4.578 -5.406 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.114 -5.568 -6.218 1.00 0.00 C ATOM 0 H LEU A 142 -0.565 -3.836 -2.126 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.414 -6.110 -3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.385 -5.242 -3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.959 -6.674 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 142 0.303 -3.887 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.298 -4.012 -6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.696 -4.003 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.767 -5.524 -5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.218 -4.984 -7.132 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.574 -6.546 -6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -0.944 -5.694 -5.986 1.00 0.00 H new ATOM 901 N SER A 143 -0.804 -7.680 -1.907 1.00 0.00 N ATOM 902 CA SER A 143 -0.873 -8.496 -0.717 1.00 0.00 C ATOM 903 C SER A 143 0.453 -8.430 0.045 1.00 0.00 C ATOM 904 O SER A 143 1.528 -8.449 -0.576 1.00 0.00 O ATOM 905 CB SER A 143 -1.284 -9.930 -1.084 1.00 0.00 C ATOM 906 OG SER A 143 -0.480 -10.438 -2.148 1.00 0.00 O ATOM 0 H SER A 143 -0.802 -8.207 -2.780 1.00 0.00 H new ATOM 0 HA SER A 143 -1.640 -8.110 -0.046 1.00 0.00 H new ATOM 0 HB2 SER A 143 -1.186 -10.575 -0.210 1.00 0.00 H new ATOM 0 HB3 SER A 143 -2.334 -9.947 -1.377 1.00 0.00 H new ATOM 0 HG SER A 143 -0.760 -11.352 -2.362 1.00 0.00 H new