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 -151:sc= 0.398 USER MOD Set 1.2: A 136 GLN : amide:sc= -0.29 K(o=0.11,f=-4.1!) 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+ 151:sc= 1.23 (180deg=-0.0427) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -13:sc= 0.796 USER MOD Single : A 99 SER OG : rot 133:sc= 1.27 USER MOD Single : A 103 SER OG : rot 180:sc= -0.076 USER MOD Single : A 107 CYS SG : rot 58:sc= -0.024 USER MOD Single : A 109 TYR OH : rot 45:sc= 1.22 USER MOD Single : A 115 SER OG : rot 180:sc= -0.128 USER MOD Single : A 119 LYS NZ :NH3+ 171:sc=-0.00934 (180deg=-0.119) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 123 CYS SG : rot -14:sc= -4.65! USER MOD Single : A 130 TYR OH : rot -127:sc= 0.234 USER MOD Single : A 132 ASN : amide:sc= -0.0377 K(o=-0.038,f=-1.1) USER MOD Single : A 137 ASN : amide:sc=-0.00457 X(o=-0.0046,f=-0.21) USER MOD Single : A 139 SER OG : rot -35:sc= 0.00272 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N TRP A 92 -9.498 -2.520 2.009 1.00 0.00 N ATOM 116 CA TRP A 92 -8.484 -2.507 3.031 1.00 0.00 C ATOM 117 C TRP A 92 -8.968 -1.758 4.256 1.00 0.00 C ATOM 118 O TRP A 92 -9.970 -1.038 4.188 1.00 0.00 O ATOM 119 CB TRP A 92 -7.194 -1.880 2.501 1.00 0.00 C ATOM 120 CG TRP A 92 -6.601 -2.604 1.329 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.894 -2.402 0.014 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.612 -3.641 1.366 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.165 -3.253 -0.767 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.364 -4.023 0.036 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.911 -4.284 2.391 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.449 -5.015 -0.295 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -4.001 -5.264 2.054 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.778 -5.621 0.723 1.00 0.00 C ATOM 0 HA TRP A 92 -8.277 -3.538 3.317 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.395 -0.848 2.214 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.460 -1.850 3.306 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.600 -1.674 -0.357 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.209 -3.307 -1.785 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.079 -4.019 3.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.276 -5.295 -1.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.450 -5.765 2.836 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -3.058 -6.394 0.496 1.00 0.00 H new ATOM 139 N LYS A 93 -8.287 -1.949 5.370 1.00 0.00 N ATOM 140 CA LYS A 93 -8.599 -1.258 6.607 1.00 0.00 C ATOM 141 C LYS A 93 -7.338 -0.549 7.106 1.00 0.00 C ATOM 142 O LYS A 93 -6.214 -0.972 6.804 1.00 0.00 O ATOM 143 CB LYS A 93 -9.083 -2.250 7.677 1.00 0.00 C ATOM 144 CG LYS A 93 -7.980 -3.139 8.205 1.00 0.00 C ATOM 145 CD LYS A 93 -8.484 -4.233 9.128 1.00 0.00 C ATOM 146 CE LYS A 93 -9.350 -5.264 8.409 1.00 0.00 C ATOM 147 NZ LYS A 93 -8.653 -5.876 7.261 1.00 0.00 N ATOM 0 H LYS A 93 -7.498 -2.591 5.443 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.394 -0.536 6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.522 -1.695 8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -9.873 -2.872 7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.456 -3.594 7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.254 -2.527 8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.632 -4.737 9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.060 -3.783 9.937 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -9.642 -6.044 9.112 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -10.267 -4.787 8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.011 -6.841 7.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -8.825 -5.307 6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.632 -5.911 7.454 1.00 0.00 H new ATOM 161 N VAL A 94 -7.520 0.522 7.814 1.00 0.00 N ATOM 162 CA VAL A 94 -6.420 1.260 8.403 1.00 0.00 C ATOM 163 C VAL A 94 -5.706 0.393 9.444 1.00 0.00 C ATOM 164 O VAL A 94 -6.353 -0.184 10.336 1.00 0.00 O ATOM 165 CB VAL A 94 -6.897 2.582 9.062 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.734 3.312 9.713 1.00 0.00 C ATOM 167 CG2 VAL A 94 -7.575 3.482 8.043 1.00 0.00 C ATOM 0 H VAL A 94 -8.439 0.921 8.007 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.730 1.517 7.600 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.622 2.326 9.834 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.093 4.235 10.168 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.290 2.678 10.480 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.984 3.547 8.958 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.900 4.402 8.529 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.872 3.722 7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.440 2.969 7.622 1.00 0.00 H new ATOM 177 N GLY A 95 -4.407 0.288 9.324 1.00 0.00 N ATOM 178 CA GLY A 95 -3.641 -0.486 10.257 1.00 0.00 C ATOM 179 C GLY A 95 -3.360 -1.874 9.754 1.00 0.00 C ATOM 180 O GLY A 95 -2.903 -2.731 10.518 1.00 0.00 O ATOM 0 H GLY A 95 -3.860 0.731 8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.698 0.022 10.459 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.179 -0.547 11.203 1.00 0.00 H new ATOM 184 N ASP A 96 -3.637 -2.125 8.492 1.00 0.00 N ATOM 185 CA ASP A 96 -3.382 -3.446 7.933 1.00 0.00 C ATOM 186 C ASP A 96 -2.148 -3.394 7.088 1.00 0.00 C ATOM 187 O ASP A 96 -1.795 -2.348 6.566 1.00 0.00 O ATOM 188 CB ASP A 96 -4.512 -3.911 7.053 1.00 0.00 C ATOM 189 CG ASP A 96 -4.759 -5.412 7.151 1.00 0.00 C ATOM 190 OD1 ASP A 96 -3.800 -6.194 7.340 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.929 -5.831 7.077 1.00 0.00 O ATOM 0 H ASP A 96 -4.032 -1.448 7.839 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.272 -4.137 8.769 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.423 -3.379 7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.291 -3.651 6.018 1.00 0.00 H new ATOM 196 N LYS A 97 -1.503 -4.494 6.971 1.00 0.00 N ATOM 197 CA LYS A 97 -0.333 -4.635 6.200 1.00 0.00 C ATOM 198 C LYS A 97 -0.678 -4.940 4.772 1.00 0.00 C ATOM 199 O LYS A 97 -1.677 -5.608 4.486 1.00 0.00 O ATOM 200 CB LYS A 97 0.433 -5.759 6.788 1.00 0.00 C ATOM 201 CG LYS A 97 0.707 -5.521 8.247 1.00 0.00 C ATOM 202 CD LYS A 97 0.319 -6.708 9.097 1.00 0.00 C ATOM 203 CE LYS A 97 -1.185 -6.829 9.190 1.00 0.00 C ATOM 204 NZ LYS A 97 -1.614 -7.949 10.046 1.00 0.00 N ATOM 0 H LYS A 97 -1.792 -5.357 7.432 1.00 0.00 H new ATOM 0 HA LYS A 97 0.249 -3.713 6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.125 -6.687 6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.375 -5.881 6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.766 -5.306 8.386 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.157 -4.641 8.580 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.737 -7.620 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.743 -6.601 10.096 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.597 -5.899 9.582 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.597 -6.963 8.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.653 -7.986 10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.246 -8.842 9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.246 -7.811 11.009 1.00 0.00 H new ATOM 218 N CYS A 98 0.141 -4.478 3.903 1.00 0.00 N ATOM 219 CA CYS A 98 -0.034 -4.652 2.509 1.00 0.00 C ATOM 220 C CYS A 98 1.323 -4.522 1.836 1.00 0.00 C ATOM 221 O CYS A 98 2.369 -4.532 2.500 1.00 0.00 O ATOM 222 CB CYS A 98 -0.998 -3.578 1.980 1.00 0.00 C ATOM 223 SG CYS A 98 -0.446 -1.898 2.310 1.00 0.00 S ATOM 0 H CYS A 98 0.979 -3.951 4.149 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.455 -5.634 2.295 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.120 -3.708 0.905 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.979 -3.726 2.432 1.00 0.00 H new ATOM 0 HG CYS A 98 0.524 -1.922 3.175 1.00 0.00 H new ATOM 229 N SER A 99 1.302 -4.435 0.575 1.00 0.00 N ATOM 230 CA SER A 99 2.469 -4.183 -0.206 1.00 0.00 C ATOM 231 C SER A 99 2.158 -3.064 -1.161 1.00 0.00 C ATOM 232 O SER A 99 1.027 -2.966 -1.659 1.00 0.00 O ATOM 233 CB SER A 99 2.909 -5.443 -0.930 1.00 0.00 C ATOM 234 OG SER A 99 3.294 -6.444 -0.006 1.00 0.00 O ATOM 0 H SER A 99 0.451 -4.538 0.022 1.00 0.00 H new ATOM 0 HA SER A 99 3.301 -3.886 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.096 -5.812 -1.555 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.743 -5.214 -1.594 1.00 0.00 H new ATOM 0 HG SER A 99 2.878 -7.296 -0.254 1.00 0.00 H new ATOM 240 N ALA A 100 3.107 -2.208 -1.376 1.00 0.00 N ATOM 241 CA ALA A 100 2.903 -1.065 -2.211 1.00 0.00 C ATOM 242 C ALA A 100 4.047 -0.900 -3.173 1.00 0.00 C ATOM 243 O ALA A 100 5.137 -1.463 -2.966 1.00 0.00 O ATOM 244 CB ALA A 100 2.739 0.176 -1.363 1.00 0.00 C ATOM 0 H ALA A 100 4.044 -2.281 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 100 1.992 -1.215 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.584 1.040 -2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.878 0.056 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.636 0.328 -0.763 1.00 0.00 H new ATOM 250 N ILE A 101 3.796 -0.169 -4.219 1.00 0.00 N ATOM 251 CA ILE A 101 4.779 0.120 -5.221 1.00 0.00 C ATOM 252 C ILE A 101 5.429 1.437 -4.906 1.00 0.00 C ATOM 253 O ILE A 101 4.791 2.505 -5.015 1.00 0.00 O ATOM 254 CB ILE A 101 4.133 0.163 -6.628 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.715 -1.241 -7.059 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.051 0.811 -7.673 1.00 0.00 C ATOM 257 CD1 ILE A 101 4.850 -2.142 -7.483 1.00 0.00 C ATOM 0 H ILE A 101 2.885 0.251 -4.403 1.00 0.00 H new ATOM 0 HA ILE A 101 5.531 -0.669 -5.222 1.00 0.00 H new ATOM 0 HB ILE A 101 3.245 0.792 -6.562 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.183 -1.715 -6.234 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.010 -1.156 -7.886 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.552 0.817 -8.642 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.276 1.835 -7.375 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.978 0.242 -7.746 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.454 -3.116 -7.771 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.370 -1.697 -8.331 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.547 -2.265 -6.654 1.00 0.00 H new ATOM 269 N TRP A 102 6.680 1.373 -4.509 1.00 0.00 N ATOM 270 CA TRP A 102 7.411 2.555 -4.160 1.00 0.00 C ATOM 271 C TRP A 102 7.578 3.359 -5.383 1.00 0.00 C ATOM 272 O TRP A 102 8.172 2.907 -6.337 1.00 0.00 O ATOM 273 CB TRP A 102 8.773 2.241 -3.572 1.00 0.00 C ATOM 274 CG TRP A 102 9.368 3.404 -2.820 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.685 4.371 -2.143 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.749 3.700 -2.638 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.562 5.246 -1.564 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.832 4.855 -1.846 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.918 3.109 -3.066 1.00 0.00 C ATOM 280 CZ2 TRP A 102 12.049 5.418 -1.478 1.00 0.00 C ATOM 281 CZ3 TRP A 102 13.120 3.671 -2.703 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.170 4.816 -1.915 1.00 0.00 C ATOM 0 H TRP A 102 7.209 0.505 -4.422 1.00 0.00 H new ATOM 0 HA TRP A 102 6.853 3.096 -3.396 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.685 1.387 -2.900 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.451 1.948 -4.374 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.609 4.436 -2.074 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.304 6.062 -1.009 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.891 2.219 -3.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.093 6.306 -0.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 14.041 3.215 -3.036 1.00 0.00 H new ATOM 0 HH2 TRP A 102 14.131 5.231 -1.648 1.00 0.00 H new ATOM 293 N SER A 103 7.090 4.545 -5.333 1.00 0.00 N ATOM 294 CA SER A 103 7.058 5.441 -6.438 1.00 0.00 C ATOM 295 C SER A 103 8.455 5.782 -6.949 1.00 0.00 C ATOM 296 O SER A 103 8.639 6.199 -8.087 1.00 0.00 O ATOM 297 CB SER A 103 6.352 6.669 -5.966 1.00 0.00 C ATOM 298 OG SER A 103 5.019 6.357 -5.535 1.00 0.00 O ATOM 0 H SER A 103 6.683 4.938 -4.484 1.00 0.00 H new ATOM 0 HA SER A 103 6.542 4.979 -7.279 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.908 7.121 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.316 7.405 -6.769 1.00 0.00 H new ATOM 0 HG SER A 103 4.575 7.175 -5.228 1.00 0.00 H new ATOM 304 N GLU A 104 9.414 5.563 -6.114 1.00 0.00 N ATOM 305 CA GLU A 104 10.777 5.882 -6.414 1.00 0.00 C ATOM 306 C GLU A 104 11.476 4.769 -7.209 1.00 0.00 C ATOM 307 O GLU A 104 12.191 5.049 -8.169 1.00 0.00 O ATOM 308 CB GLU A 104 11.465 6.130 -5.119 1.00 0.00 C ATOM 309 CG GLU A 104 10.774 7.196 -4.316 1.00 0.00 C ATOM 310 CD GLU A 104 11.280 8.582 -4.576 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.829 9.219 -5.535 1.00 0.00 O ATOM 312 OE2 GLU A 104 12.131 9.068 -3.809 1.00 0.00 O ATOM 0 H GLU A 104 9.276 5.152 -5.191 1.00 0.00 H new ATOM 0 HA GLU A 104 10.816 6.766 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.499 5.205 -4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.497 6.427 -5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.706 7.164 -4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.891 6.971 -3.256 1.00 0.00 H new ATOM 319 N ASP A 105 11.251 3.510 -6.835 1.00 0.00 N ATOM 320 CA ASP A 105 11.909 2.388 -7.556 1.00 0.00 C ATOM 321 C ASP A 105 10.953 1.677 -8.460 1.00 0.00 C ATOM 322 O ASP A 105 11.360 0.894 -9.310 1.00 0.00 O ATOM 323 CB ASP A 105 12.477 1.320 -6.596 1.00 0.00 C ATOM 324 CG ASP A 105 13.732 1.708 -5.880 1.00 0.00 C ATOM 325 OD1 ASP A 105 14.588 2.386 -6.481 1.00 0.00 O ATOM 326 OD2 ASP A 105 13.900 1.321 -4.704 1.00 0.00 O ATOM 0 H ASP A 105 10.642 3.232 -6.065 1.00 0.00 H new ATOM 0 HA ASP A 105 12.715 2.854 -8.123 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.715 1.079 -5.855 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.669 0.410 -7.164 1.00 0.00 H new ATOM 331 N GLY A 106 9.681 1.908 -8.243 1.00 0.00 N ATOM 332 CA GLY A 106 8.639 1.244 -9.019 1.00 0.00 C ATOM 333 C GLY A 106 8.437 -0.192 -8.550 1.00 0.00 C ATOM 334 O GLY A 106 7.584 -0.915 -9.050 1.00 0.00 O ATOM 0 H GLY A 106 9.332 2.553 -7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.704 1.796 -8.925 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.908 1.251 -10.075 1.00 0.00 H new ATOM 338 N CYS A 107 9.225 -0.574 -7.584 1.00 0.00 N ATOM 339 CA CYS A 107 9.266 -1.881 -7.063 1.00 0.00 C ATOM 340 C CYS A 107 8.295 -2.068 -5.895 1.00 0.00 C ATOM 341 O CYS A 107 7.847 -1.089 -5.279 1.00 0.00 O ATOM 342 CB CYS A 107 10.680 -2.127 -6.641 1.00 0.00 C ATOM 343 SG CYS A 107 11.875 -2.073 -7.989 1.00 0.00 S ATOM 0 H CYS A 107 9.881 0.060 -7.128 1.00 0.00 H new ATOM 0 HA CYS A 107 8.951 -2.600 -7.819 1.00 0.00 H new ATOM 0 HB2 CYS A 107 10.959 -1.384 -5.894 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.738 -3.102 -6.158 1.00 0.00 H new ATOM 0 HG CYS A 107 11.807 -0.919 -8.583 1.00 0.00 H new ATOM 349 N ILE A 108 8.005 -3.317 -5.585 1.00 0.00 N ATOM 350 CA ILE A 108 7.090 -3.678 -4.521 1.00 0.00 C ATOM 351 C ILE A 108 7.828 -3.748 -3.202 1.00 0.00 C ATOM 352 O ILE A 108 8.913 -4.332 -3.117 1.00 0.00 O ATOM 353 CB ILE A 108 6.476 -5.069 -4.759 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.978 -5.192 -6.193 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.340 -5.290 -3.770 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.338 -6.531 -6.527 1.00 0.00 C ATOM 0 H ILE A 108 8.404 -4.120 -6.072 1.00 0.00 H new ATOM 0 HA ILE A 108 6.309 -2.918 -4.502 1.00 0.00 H new ATOM 0 HB ILE A 108 7.237 -5.834 -4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.253 -4.400 -6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.815 -5.025 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.901 -6.274 -3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.727 -5.230 -2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.578 -4.524 -3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.013 -6.529 -7.567 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.064 -7.329 -6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.478 -6.695 -5.878 1.00 0.00 H new ATOM 368 N TYR A 109 7.264 -3.165 -2.197 1.00 0.00 N ATOM 369 CA TYR A 109 7.824 -3.190 -0.868 1.00 0.00 C ATOM 370 C TYR A 109 6.709 -3.361 0.152 1.00 0.00 C ATOM 371 O TYR A 109 5.561 -2.980 -0.122 1.00 0.00 O ATOM 372 CB TYR A 109 8.590 -1.910 -0.583 1.00 0.00 C ATOM 373 CG TYR A 109 9.866 -1.713 -1.379 1.00 0.00 C ATOM 374 CD1 TYR A 109 9.848 -1.134 -2.644 1.00 0.00 C ATOM 375 CD2 TYR A 109 11.093 -2.058 -0.838 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.018 -0.913 -3.338 1.00 0.00 C ATOM 377 CE2 TYR A 109 12.265 -1.830 -1.523 1.00 0.00 C ATOM 378 CZ TYR A 109 12.225 -1.255 -2.771 1.00 0.00 C ATOM 379 OH TYR A 109 13.403 -1.025 -3.450 1.00 0.00 O ATOM 0 H TYR A 109 6.388 -2.648 -2.267 1.00 0.00 H new ATOM 0 HA TYR A 109 8.516 -4.029 -0.797 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.930 -1.064 -0.775 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.839 -1.886 0.478 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.904 -0.854 -3.088 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.131 -2.515 0.140 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.988 -0.473 -4.324 1.00 0.00 H new ATOM 0 HE2 TYR A 109 13.212 -2.102 -1.082 1.00 0.00 H new ATOM 0 HH TYR A 109 13.383 -0.129 -3.846 1.00 0.00 H new ATOM 389 N PRO A 110 7.007 -3.959 1.321 1.00 0.00 N ATOM 390 CA PRO A 110 6.015 -4.154 2.377 1.00 0.00 C ATOM 391 C PRO A 110 5.645 -2.822 3.045 1.00 0.00 C ATOM 392 O PRO A 110 6.520 -2.028 3.417 1.00 0.00 O ATOM 393 CB PRO A 110 6.731 -5.075 3.374 1.00 0.00 C ATOM 394 CG PRO A 110 8.177 -4.800 3.173 1.00 0.00 C ATOM 395 CD PRO A 110 8.340 -4.473 1.715 1.00 0.00 C ATOM 0 HA PRO A 110 5.079 -4.569 2.002 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.426 -4.862 4.399 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.497 -6.122 3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.506 -3.970 3.798 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.780 -5.665 3.448 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.120 -3.728 1.556 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.617 -5.353 1.135 1.00 0.00 H new ATOM 403 N ALA A 111 4.373 -2.574 3.185 1.00 0.00 N ATOM 404 CA ALA A 111 3.905 -1.350 3.770 1.00 0.00 C ATOM 405 C ALA A 111 2.653 -1.598 4.584 1.00 0.00 C ATOM 406 O ALA A 111 1.919 -2.526 4.320 1.00 0.00 O ATOM 407 CB ALA A 111 3.634 -0.328 2.687 1.00 0.00 C ATOM 0 H ALA A 111 3.633 -3.214 2.897 1.00 0.00 H new ATOM 0 HA ALA A 111 4.677 -0.962 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.279 0.597 3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.552 -0.132 2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.875 -0.712 2.006 1.00 0.00 H new ATOM 413 N THR A 112 2.408 -0.773 5.537 1.00 0.00 N ATOM 414 CA THR A 112 1.255 -0.915 6.389 1.00 0.00 C ATOM 415 C THR A 112 0.398 0.333 6.235 1.00 0.00 C ATOM 416 O THR A 112 0.924 1.441 6.192 1.00 0.00 O ATOM 417 CB THR A 112 1.696 -1.080 7.856 1.00 0.00 C ATOM 418 OG1 THR A 112 2.673 -2.143 7.930 1.00 0.00 O ATOM 419 CG2 THR A 112 0.503 -1.452 8.727 1.00 0.00 C ATOM 0 H THR A 112 2.998 0.029 5.759 1.00 0.00 H new ATOM 0 HA THR A 112 0.685 -1.800 6.106 1.00 0.00 H new ATOM 0 HB THR A 112 2.120 -0.140 8.210 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.963 -2.257 8.859 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.829 -1.566 9.761 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.250 -0.666 8.668 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.075 -2.391 8.376 1.00 0.00 H new ATOM 427 N ILE A 113 -0.885 0.151 6.118 1.00 0.00 N ATOM 428 CA ILE A 113 -1.817 1.237 5.892 1.00 0.00 C ATOM 429 C ILE A 113 -1.925 2.141 7.118 1.00 0.00 C ATOM 430 O ILE A 113 -2.242 1.681 8.220 1.00 0.00 O ATOM 431 CB ILE A 113 -3.191 0.661 5.554 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.056 -0.281 4.368 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.177 1.780 5.232 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.218 -1.192 4.206 1.00 0.00 C ATOM 0 H ILE A 113 -1.328 -0.766 6.176 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.449 1.839 5.061 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.573 0.112 6.415 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.934 0.307 3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.150 -0.876 4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.150 1.350 4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.273 2.440 6.094 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.813 2.351 4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.057 -1.837 3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.327 -1.805 5.101 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.123 -0.604 4.056 1.00 0.00 H new ATOM 446 N ALA A 114 -1.677 3.406 6.913 1.00 0.00 N ATOM 447 CA ALA A 114 -1.728 4.388 7.969 1.00 0.00 C ATOM 448 C ALA A 114 -3.060 5.110 7.971 1.00 0.00 C ATOM 449 O ALA A 114 -3.555 5.512 9.020 1.00 0.00 O ATOM 450 CB ALA A 114 -0.593 5.378 7.816 1.00 0.00 C ATOM 0 H ALA A 114 -1.431 3.791 6.001 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.620 3.872 8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.642 6.114 8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.359 4.850 7.865 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.678 5.884 6.854 1.00 0.00 H new ATOM 456 N SER A 115 -3.637 5.279 6.802 1.00 0.00 N ATOM 457 CA SER A 115 -4.903 5.950 6.674 1.00 0.00 C ATOM 458 C SER A 115 -5.497 5.651 5.313 1.00 0.00 C ATOM 459 O SER A 115 -4.759 5.352 4.387 1.00 0.00 O ATOM 460 CB SER A 115 -4.695 7.452 6.855 1.00 0.00 C ATOM 461 OG SER A 115 -3.698 7.937 5.959 1.00 0.00 O ATOM 0 H SER A 115 -3.241 4.955 5.920 1.00 0.00 H new ATOM 0 HA SER A 115 -5.594 5.596 7.439 1.00 0.00 H new ATOM 0 HB2 SER A 115 -5.634 7.977 6.680 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.399 7.661 7.883 1.00 0.00 H new ATOM 0 HG SER A 115 -3.581 8.901 6.090 1.00 0.00 H new ATOM 467 N ILE A 116 -6.807 5.692 5.208 1.00 0.00 N ATOM 468 CA ILE A 116 -7.501 5.452 3.963 1.00 0.00 C ATOM 469 C ILE A 116 -8.447 6.606 3.669 1.00 0.00 C ATOM 470 O ILE A 116 -9.175 7.067 4.552 1.00 0.00 O ATOM 471 CB ILE A 116 -8.334 4.139 4.019 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.436 2.938 4.299 1.00 0.00 C ATOM 473 CG2 ILE A 116 -9.121 3.932 2.724 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.176 1.640 4.411 1.00 0.00 C ATOM 0 H ILE A 116 -7.426 5.895 5.993 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.748 5.362 3.180 1.00 0.00 H new ATOM 0 HB ILE A 116 -9.048 4.231 4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.697 2.856 3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.889 3.114 5.225 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.694 3.007 2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.801 4.770 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.429 3.871 1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.469 0.834 4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -8.896 1.701 5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.701 1.439 3.477 1.00 0.00 H new ATOM 486 N ASP A 117 -8.401 7.096 2.473 1.00 0.00 N ATOM 487 CA ASP A 117 -9.337 8.089 2.012 1.00 0.00 C ATOM 488 C ASP A 117 -10.230 7.401 1.010 1.00 0.00 C ATOM 489 O ASP A 117 -9.824 7.154 -0.128 1.00 0.00 O ATOM 490 CB ASP A 117 -8.630 9.276 1.359 1.00 0.00 C ATOM 491 CG ASP A 117 -9.567 10.429 1.033 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.470 10.275 0.200 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.409 11.523 1.632 1.00 0.00 O ATOM 0 H ASP A 117 -7.709 6.821 1.776 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.904 8.491 2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.844 9.633 2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.144 8.941 0.442 1.00 0.00 H new ATOM 498 N PHE A 118 -11.420 7.064 1.426 1.00 0.00 N ATOM 499 CA PHE A 118 -12.346 6.315 0.596 1.00 0.00 C ATOM 500 C PHE A 118 -12.855 7.146 -0.562 1.00 0.00 C ATOM 501 O PHE A 118 -13.281 6.603 -1.580 1.00 0.00 O ATOM 502 CB PHE A 118 -13.521 5.781 1.424 1.00 0.00 C ATOM 503 CG PHE A 118 -13.125 4.768 2.463 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.938 3.441 2.113 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.937 5.140 3.784 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.571 2.505 3.058 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.568 4.207 4.734 1.00 0.00 C ATOM 508 CZ PHE A 118 -12.385 2.888 4.371 1.00 0.00 C ATOM 0 H PHE A 118 -11.783 7.298 2.350 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.797 5.467 0.186 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -14.015 6.618 1.917 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.251 5.331 0.752 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -13.081 3.135 1.087 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -13.080 6.170 4.074 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.429 1.474 2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -12.423 4.510 5.760 1.00 0.00 H new ATOM 0 HZ PHE A 118 -12.097 2.157 5.112 1.00 0.00 H new ATOM 518 N LYS A 119 -12.780 8.451 -0.420 1.00 0.00 N ATOM 519 CA LYS A 119 -13.263 9.364 -1.437 1.00 0.00 C ATOM 520 C LYS A 119 -12.318 9.382 -2.635 1.00 0.00 C ATOM 521 O LYS A 119 -12.750 9.503 -3.776 1.00 0.00 O ATOM 522 CB LYS A 119 -13.446 10.767 -0.861 1.00 0.00 C ATOM 523 CG LYS A 119 -14.420 10.847 0.312 1.00 0.00 C ATOM 524 CD LYS A 119 -15.830 10.448 -0.099 1.00 0.00 C ATOM 525 CE LYS A 119 -16.798 10.487 1.077 1.00 0.00 C ATOM 526 NZ LYS A 119 -16.910 11.831 1.675 1.00 0.00 N ATOM 0 H LYS A 119 -12.384 8.910 0.400 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.236 9.013 -1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.475 11.143 -0.537 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.796 11.429 -1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.077 10.195 1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -14.430 11.862 0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -16.183 11.119 -0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -15.814 9.444 -0.523 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -17.782 10.158 0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -16.467 9.781 1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.687 11.840 2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.019 12.074 2.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -17.103 12.528 0.928 1.00 0.00 H new ATOM 540 N ARG A 120 -11.024 9.271 -2.369 1.00 0.00 N ATOM 541 CA ARG A 120 -10.047 9.214 -3.457 1.00 0.00 C ATOM 542 C ARG A 120 -9.766 7.765 -3.804 1.00 0.00 C ATOM 543 O ARG A 120 -9.093 7.470 -4.800 1.00 0.00 O ATOM 544 CB ARG A 120 -8.710 9.797 -3.014 1.00 0.00 C ATOM 545 CG ARG A 120 -8.750 11.141 -2.352 1.00 0.00 C ATOM 546 CD ARG A 120 -9.283 12.219 -3.240 1.00 0.00 C ATOM 547 NE ARG A 120 -9.173 13.511 -2.574 1.00 0.00 N ATOM 548 CZ ARG A 120 -9.790 14.620 -2.939 1.00 0.00 C ATOM 549 NH1 ARG A 120 -10.632 14.617 -3.964 1.00 0.00 N ATOM 550 NH2 ARG A 120 -9.570 15.740 -2.276 1.00 0.00 N ATOM 0 H ARG A 120 -10.628 9.219 -1.430 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.459 9.772 -4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.242 9.092 -2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.063 9.867 -3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.367 11.079 -1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.744 11.410 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.729 12.236 -4.179 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.325 12.016 -3.488 1.00 0.00 H new ATOM 0 HE ARG A 120 -8.567 13.563 -1.755 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.807 13.753 -4.477 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.104 15.478 -4.239 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.926 15.746 -1.485 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -10.044 16.599 -2.554 1.00 0.00 H new ATOM 564 N GLU A 121 -10.296 6.869 -2.968 1.00 0.00 N ATOM 565 CA GLU A 121 -10.041 5.427 -3.036 1.00 0.00 C ATOM 566 C GLU A 121 -8.548 5.144 -2.837 1.00 0.00 C ATOM 567 O GLU A 121 -8.012 4.126 -3.309 1.00 0.00 O ATOM 568 CB GLU A 121 -10.525 4.817 -4.347 1.00 0.00 C ATOM 569 CG GLU A 121 -12.015 4.866 -4.565 1.00 0.00 C ATOM 570 CD GLU A 121 -12.393 4.195 -5.850 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.413 4.865 -6.908 1.00 0.00 O ATOM 572 OE2 GLU A 121 -12.656 2.974 -5.839 1.00 0.00 O ATOM 0 H GLU A 121 -10.927 7.130 -2.210 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.609 4.958 -2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.036 5.334 -5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.202 3.777 -4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.524 4.379 -3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.350 5.903 -4.580 1.00 0.00 H new ATOM 579 N THR A 122 -7.890 6.010 -2.108 1.00 0.00 N ATOM 580 CA THR A 122 -6.491 5.868 -1.877 1.00 0.00 C ATOM 581 C THR A 122 -6.219 5.738 -0.396 1.00 0.00 C ATOM 582 O THR A 122 -7.090 5.978 0.423 1.00 0.00 O ATOM 583 CB THR A 122 -5.682 7.052 -2.456 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.146 8.294 -1.897 1.00 0.00 O ATOM 585 CG2 THR A 122 -5.792 7.115 -3.969 1.00 0.00 C ATOM 0 H THR A 122 -8.314 6.825 -1.664 1.00 0.00 H new ATOM 0 HA THR A 122 -6.168 4.963 -2.392 1.00 0.00 H new ATOM 0 HB THR A 122 -4.637 6.894 -2.190 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.625 9.036 -2.270 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.211 7.959 -4.341 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.407 6.191 -4.401 1.00 0.00 H new ATOM 0 HG23 THR A 122 -6.837 7.240 -4.253 1.00 0.00 H new ATOM 593 N CYS A 123 -5.048 5.333 -0.065 1.00 0.00 N ATOM 594 CA CYS A 123 -4.645 5.180 1.283 1.00 0.00 C ATOM 595 C CYS A 123 -3.175 5.457 1.403 1.00 0.00 C ATOM 596 O CYS A 123 -2.415 5.241 0.456 1.00 0.00 O ATOM 597 CB CYS A 123 -4.959 3.773 1.743 1.00 0.00 C ATOM 598 SG CYS A 123 -4.340 2.510 0.622 1.00 0.00 S ATOM 0 H CYS A 123 -4.325 5.093 -0.743 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.185 5.886 1.913 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.528 3.616 2.732 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -6.039 3.663 1.845 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.001 3.060 -0.506 1.00 0.00 H new ATOM 604 N VAL A 124 -2.777 5.924 2.529 1.00 0.00 N ATOM 605 CA VAL A 124 -1.404 6.191 2.790 1.00 0.00 C ATOM 606 C VAL A 124 -0.835 4.995 3.507 1.00 0.00 C ATOM 607 O VAL A 124 -1.447 4.487 4.454 1.00 0.00 O ATOM 608 CB VAL A 124 -1.224 7.466 3.649 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.236 7.695 3.980 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.790 8.676 2.922 1.00 0.00 C ATOM 0 H VAL A 124 -3.401 6.136 3.308 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.882 6.366 1.850 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.769 7.325 4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.335 8.597 4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.621 6.841 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.804 7.812 3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.657 9.566 3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.267 8.809 1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.852 8.522 2.732 1.00 0.00 H new ATOM 620 N VAL A 125 0.295 4.536 3.064 1.00 0.00 N ATOM 621 CA VAL A 125 0.915 3.386 3.648 1.00 0.00 C ATOM 622 C VAL A 125 2.324 3.737 4.096 1.00 0.00 C ATOM 623 O VAL A 125 2.980 4.597 3.507 1.00 0.00 O ATOM 624 CB VAL A 125 0.978 2.182 2.652 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.405 1.770 2.161 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.909 2.478 1.480 1.00 0.00 C ATOM 0 H VAL A 125 0.813 4.947 2.288 1.00 0.00 H new ATOM 0 HA VAL A 125 0.307 3.085 4.501 1.00 0.00 H new ATOM 0 HB VAL A 125 1.389 1.337 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.311 0.931 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.020 1.475 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.874 2.610 1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.930 1.621 0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.548 3.354 0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.915 2.671 1.854 1.00 0.00 H new ATOM 636 N VAL A 126 2.747 3.110 5.146 1.00 0.00 N ATOM 637 CA VAL A 126 4.068 3.279 5.680 1.00 0.00 C ATOM 638 C VAL A 126 4.897 2.069 5.335 1.00 0.00 C ATOM 639 O VAL A 126 4.536 0.949 5.687 1.00 0.00 O ATOM 640 CB VAL A 126 4.049 3.476 7.219 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.470 3.430 7.789 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.372 4.802 7.571 1.00 0.00 C ATOM 0 H VAL A 126 2.173 2.450 5.671 1.00 0.00 H new ATOM 0 HA VAL A 126 4.501 4.177 5.238 1.00 0.00 H new ATOM 0 HB VAL A 126 3.478 2.662 7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.433 3.570 8.869 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.921 2.464 7.564 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.068 4.223 7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.364 4.930 8.653 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.921 5.624 7.112 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.348 4.798 7.199 1.00 0.00 H new ATOM 652 N TYR A 127 5.984 2.292 4.640 1.00 0.00 N ATOM 653 CA TYR A 127 6.866 1.225 4.244 1.00 0.00 C ATOM 654 C TYR A 127 7.585 0.663 5.427 1.00 0.00 C ATOM 655 O TYR A 127 8.387 1.354 6.095 1.00 0.00 O ATOM 656 CB TYR A 127 7.848 1.676 3.192 1.00 0.00 C ATOM 657 CG TYR A 127 7.195 2.028 1.902 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.785 1.032 1.029 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.966 3.344 1.556 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.172 1.339 -0.154 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.342 3.659 0.384 1.00 0.00 C ATOM 662 CZ TYR A 127 5.947 2.651 -0.471 1.00 0.00 C ATOM 663 OH TYR A 127 5.282 2.954 -1.632 1.00 0.00 O ATOM 0 H TYR A 127 6.282 3.218 4.333 1.00 0.00 H new ATOM 0 HA TYR A 127 6.250 0.439 3.807 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.398 2.541 3.563 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.577 0.884 3.020 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.953 -0.003 1.288 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.284 4.134 2.220 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.869 0.554 -0.831 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.158 4.692 0.127 1.00 0.00 H new ATOM 0 HH TYR A 127 5.581 3.827 -1.962 1.00 0.00 H new ATOM 673 N THR A 128 7.310 -0.573 5.671 1.00 0.00 N ATOM 674 CA THR A 128 7.822 -1.297 6.770 1.00 0.00 C ATOM 675 C THR A 128 9.333 -1.470 6.629 1.00 0.00 C ATOM 676 O THR A 128 9.834 -1.891 5.574 1.00 0.00 O ATOM 677 CB THR A 128 7.143 -2.662 6.770 1.00 0.00 C ATOM 678 OG1 THR A 128 5.717 -2.482 6.833 1.00 0.00 O ATOM 679 CG2 THR A 128 7.622 -3.538 7.909 1.00 0.00 C ATOM 0 H THR A 128 6.692 -1.127 5.078 1.00 0.00 H new ATOM 0 HA THR A 128 7.628 -0.766 7.702 1.00 0.00 H new ATOM 0 HB THR A 128 7.410 -3.175 5.846 1.00 0.00 H new ATOM 0 HG1 THR A 128 5.276 -3.357 6.832 1.00 0.00 H new ATOM 0 HG21 THR A 128 7.111 -4.500 7.868 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.697 -3.694 7.820 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.403 -3.051 8.859 1.00 0.00 H new ATOM 687 N GLY A 129 10.046 -1.142 7.676 1.00 0.00 N ATOM 688 CA GLY A 129 11.469 -1.271 7.661 1.00 0.00 C ATOM 689 C GLY A 129 12.145 0.004 7.259 1.00 0.00 C ATOM 690 O GLY A 129 13.342 0.174 7.488 1.00 0.00 O ATOM 0 H GLY A 129 9.658 -0.783 8.548 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.816 -1.569 8.650 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.754 -2.065 6.971 1.00 0.00 H new ATOM 694 N TYR A 130 11.402 0.909 6.666 1.00 0.00 N ATOM 695 CA TYR A 130 11.981 2.140 6.208 1.00 0.00 C ATOM 696 C TYR A 130 11.408 3.307 6.971 1.00 0.00 C ATOM 697 O TYR A 130 12.146 4.116 7.529 1.00 0.00 O ATOM 698 CB TYR A 130 11.751 2.313 4.721 1.00 0.00 C ATOM 699 CG TYR A 130 12.269 1.163 3.890 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.608 1.065 3.571 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.410 0.178 3.423 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.080 0.020 2.812 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.873 -0.870 2.665 1.00 0.00 C ATOM 704 CZ TYR A 130 13.208 -0.943 2.362 1.00 0.00 C ATOM 705 OH TYR A 130 13.681 -1.989 1.611 1.00 0.00 O ATOM 0 H TYR A 130 10.402 0.813 6.492 1.00 0.00 H new ATOM 0 HA TYR A 130 13.055 2.105 6.388 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.683 2.430 4.538 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.233 3.234 4.392 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.295 1.820 3.923 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.358 0.236 3.660 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.131 -0.044 2.571 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.192 -1.629 2.311 1.00 0.00 H new ATOM 0 HH TYR A 130 13.165 -2.055 0.781 1.00 0.00 H new ATOM 715 N GLY A 131 10.104 3.384 7.021 1.00 0.00 N ATOM 716 CA GLY A 131 9.478 4.453 7.745 1.00 0.00 C ATOM 717 C GLY A 131 9.016 5.589 6.867 1.00 0.00 C ATOM 718 O GLY A 131 8.793 6.694 7.357 1.00 0.00 O ATOM 0 H GLY A 131 9.464 2.727 6.575 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.623 4.057 8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.179 4.839 8.485 1.00 0.00 H new ATOM 722 N ASN A 132 8.906 5.356 5.569 1.00 0.00 N ATOM 723 CA ASN A 132 8.340 6.392 4.693 1.00 0.00 C ATOM 724 C ASN A 132 6.896 6.148 4.548 1.00 0.00 C ATOM 725 O ASN A 132 6.425 5.038 4.799 1.00 0.00 O ATOM 726 CB ASN A 132 8.936 6.470 3.275 1.00 0.00 C ATOM 727 CG ASN A 132 10.312 7.087 3.179 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.708 7.905 4.021 1.00 0.00 O ATOM 729 ND2 ASN A 132 11.028 6.756 2.127 1.00 0.00 N ATOM 0 H ASN A 132 9.187 4.494 5.103 1.00 0.00 H new ATOM 0 HA ASN A 132 8.581 7.337 5.181 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.980 5.462 2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.256 7.043 2.645 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.945 7.177 1.981 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.666 6.078 1.457 1.00 0.00 H new ATOM 736 N ARG A 133 6.193 7.132 4.114 1.00 0.00 N ATOM 737 CA ARG A 133 4.791 6.997 3.920 1.00 0.00 C ATOM 738 C ARG A 133 4.440 7.529 2.563 1.00 0.00 C ATOM 739 O ARG A 133 4.934 8.579 2.151 1.00 0.00 O ATOM 740 CB ARG A 133 3.996 7.641 5.083 1.00 0.00 C ATOM 741 CG ARG A 133 4.099 9.156 5.248 1.00 0.00 C ATOM 742 CD ARG A 133 3.032 9.896 4.461 1.00 0.00 C ATOM 743 NE ARG A 133 3.006 11.333 4.781 1.00 0.00 N ATOM 744 CZ ARG A 133 2.125 12.234 4.309 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.245 11.898 3.377 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.155 13.486 4.756 1.00 0.00 N ATOM 0 H ARG A 133 6.570 8.051 3.883 1.00 0.00 H new ATOM 0 HA ARG A 133 4.501 5.946 3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 133 2.944 7.387 4.954 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.324 7.177 6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.011 9.411 6.304 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.084 9.489 4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.213 9.766 3.394 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.056 9.460 4.674 1.00 0.00 H new ATOM 0 HE ARG A 133 3.723 11.678 5.420 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.230 10.947 3.009 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.583 12.591 3.028 1.00 0.00 H new ATOM 0 HH21 ARG A 133 2.845 13.762 5.455 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.488 14.171 4.400 1.00 0.00 H new ATOM 760 N GLU A 134 3.631 6.805 1.876 1.00 0.00 N ATOM 761 CA GLU A 134 3.312 7.089 0.533 1.00 0.00 C ATOM 762 C GLU A 134 1.847 6.777 0.288 1.00 0.00 C ATOM 763 O GLU A 134 1.286 5.904 0.946 1.00 0.00 O ATOM 764 CB GLU A 134 4.255 6.249 -0.313 1.00 0.00 C ATOM 765 CG GLU A 134 4.063 6.325 -1.767 1.00 0.00 C ATOM 766 CD GLU A 134 5.366 6.112 -2.487 1.00 0.00 C ATOM 767 OE1 GLU A 134 6.266 6.967 -2.358 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.529 5.100 -3.181 1.00 0.00 O ATOM 0 H GLU A 134 3.163 5.978 2.247 1.00 0.00 H new ATOM 0 HA GLU A 134 3.442 8.140 0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.278 6.549 -0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.153 5.208 -0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.340 5.573 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.649 7.297 -2.034 1.00 0.00 H new ATOM 775 N GLU A 135 1.239 7.474 -0.637 1.00 0.00 N ATOM 776 CA GLU A 135 -0.165 7.322 -0.889 1.00 0.00 C ATOM 777 C GLU A 135 -0.377 6.474 -2.116 1.00 0.00 C ATOM 778 O GLU A 135 0.119 6.777 -3.216 1.00 0.00 O ATOM 779 CB GLU A 135 -0.836 8.680 -1.042 1.00 0.00 C ATOM 780 CG GLU A 135 -2.334 8.598 -1.259 1.00 0.00 C ATOM 781 CD GLU A 135 -2.967 9.944 -1.357 1.00 0.00 C ATOM 782 OE1 GLU A 135 -2.935 10.548 -2.442 1.00 0.00 O ATOM 783 OE2 GLU A 135 -3.528 10.423 -0.356 1.00 0.00 O ATOM 0 H GLU A 135 1.703 8.159 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.623 6.820 -0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.639 9.275 -0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.384 9.206 -1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.536 8.037 -2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.788 8.045 -0.437 1.00 0.00 H new ATOM 790 N GLN A 136 -1.086 5.406 -1.913 1.00 0.00 N ATOM 791 CA GLN A 136 -1.319 4.416 -2.909 1.00 0.00 C ATOM 792 C GLN A 136 -2.802 4.194 -3.021 1.00 0.00 C ATOM 793 O GLN A 136 -3.550 4.584 -2.146 1.00 0.00 O ATOM 794 CB GLN A 136 -0.631 3.125 -2.492 1.00 0.00 C ATOM 795 CG GLN A 136 0.837 3.323 -2.115 1.00 0.00 C ATOM 796 CD GLN A 136 1.741 3.597 -3.307 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.321 4.134 -4.336 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.985 3.318 -3.153 1.00 0.00 N ATOM 0 H GLN A 136 -1.531 5.197 -1.019 1.00 0.00 H new ATOM 0 HA GLN A 136 -0.923 4.738 -3.872 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.163 2.694 -1.644 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.697 2.405 -3.308 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.914 4.153 -1.413 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.193 2.433 -1.597 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.305 2.874 -2.292 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.653 3.540 -3.891 1.00 0.00 H new ATOM 807 N ASN A 137 -3.219 3.590 -4.072 1.00 0.00 N ATOM 808 CA ASN A 137 -4.636 3.336 -4.298 1.00 0.00 C ATOM 809 C ASN A 137 -4.993 2.020 -3.671 1.00 0.00 C ATOM 810 O ASN A 137 -4.202 1.091 -3.712 1.00 0.00 O ATOM 811 CB ASN A 137 -4.930 3.244 -5.792 1.00 0.00 C ATOM 812 CG ASN A 137 -4.475 4.437 -6.604 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.232 5.377 -6.832 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.237 4.421 -7.032 1.00 0.00 N ATOM 0 H ASN A 137 -2.607 3.249 -4.813 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.215 4.151 -3.864 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.450 2.349 -6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.004 3.117 -5.929 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -2.874 5.206 -7.573 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.636 3.624 -6.824 1.00 0.00 H new ATOM 821 N LEU A 138 -6.175 1.937 -3.116 1.00 0.00 N ATOM 822 CA LEU A 138 -6.686 0.707 -2.486 1.00 0.00 C ATOM 823 C LEU A 138 -6.685 -0.458 -3.468 1.00 0.00 C ATOM 824 O LEU A 138 -6.320 -1.574 -3.127 1.00 0.00 O ATOM 825 CB LEU A 138 -8.102 0.951 -1.984 1.00 0.00 C ATOM 826 CG LEU A 138 -8.238 1.999 -0.896 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.687 2.388 -0.733 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.687 1.470 0.414 1.00 0.00 C ATOM 0 H LEU A 138 -6.830 2.718 -3.079 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.032 0.448 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.722 1.248 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.503 0.009 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.666 2.881 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.776 3.141 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.062 2.795 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.271 1.509 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.791 2.232 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.240 0.578 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.633 1.219 0.291 1.00 0.00 H new ATOM 840 N SER A 139 -7.064 -0.180 -4.689 1.00 0.00 N ATOM 841 CA SER A 139 -7.123 -1.200 -5.716 1.00 0.00 C ATOM 842 C SER A 139 -5.717 -1.462 -6.310 1.00 0.00 C ATOM 843 O SER A 139 -5.502 -2.429 -7.051 1.00 0.00 O ATOM 844 CB SER A 139 -8.122 -0.764 -6.800 1.00 0.00 C ATOM 845 OG SER A 139 -8.519 -1.837 -7.648 1.00 0.00 O ATOM 0 H SER A 139 -7.339 0.751 -5.002 1.00 0.00 H new ATOM 0 HA SER A 139 -7.466 -2.139 -5.280 1.00 0.00 H new ATOM 0 HB2 SER A 139 -9.005 -0.338 -6.324 1.00 0.00 H new ATOM 0 HB3 SER A 139 -7.674 0.024 -7.405 1.00 0.00 H new ATOM 0 HG SER A 139 -7.761 -2.443 -7.785 1.00 0.00 H new ATOM 851 N ASP A 140 -4.754 -0.628 -5.938 1.00 0.00 N ATOM 852 CA ASP A 140 -3.393 -0.722 -6.483 1.00 0.00 C ATOM 853 C ASP A 140 -2.497 -1.391 -5.459 1.00 0.00 C ATOM 854 O ASP A 140 -1.348 -1.766 -5.748 1.00 0.00 O ATOM 855 CB ASP A 140 -2.848 0.671 -6.820 1.00 0.00 C ATOM 856 CG ASP A 140 -1.533 0.662 -7.555 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.529 0.531 -8.785 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.480 0.839 -6.919 1.00 0.00 O ATOM 0 H ASP A 140 -4.884 0.124 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.415 -1.311 -7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.585 1.200 -7.424 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.730 1.235 -5.895 1.00 0.00 H new ATOM 863 N LEU A 141 -3.025 -1.542 -4.254 1.00 0.00 N ATOM 864 CA LEU A 141 -2.310 -2.199 -3.194 1.00 0.00 C ATOM 865 C LEU A 141 -2.123 -3.644 -3.516 1.00 0.00 C ATOM 866 O LEU A 141 -2.850 -4.222 -4.333 1.00 0.00 O ATOM 867 CB LEU A 141 -3.002 -2.063 -1.843 1.00 0.00 C ATOM 868 CG LEU A 141 -3.099 -0.667 -1.248 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.715 -0.738 0.129 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.734 -0.014 -1.182 1.00 0.00 C ATOM 0 H LEU A 141 -3.955 -1.212 -3.994 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.342 -1.704 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.013 -2.460 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.477 -2.698 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.734 -0.058 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.782 0.265 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.714 -1.169 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.095 -1.361 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.828 0.984 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.072 -0.616 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.318 0.061 -2.187 1.00 0.00 H new ATOM 882 N LEU A 142 -1.163 -4.211 -2.906 1.00 0.00 N ATOM 883 CA LEU A 142 -0.812 -5.562 -3.148 1.00 0.00 C ATOM 884 C LEU A 142 -0.825 -6.288 -1.828 1.00 0.00 C ATOM 885 O LEU A 142 -0.778 -5.649 -0.765 1.00 0.00 O ATOM 886 CB LEU A 142 0.576 -5.581 -3.772 1.00 0.00 C ATOM 887 CG LEU A 142 0.736 -4.716 -5.029 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.184 -4.533 -5.380 1.00 0.00 C ATOM 889 CD2 LEU A 142 -0.030 -5.305 -6.201 1.00 0.00 C ATOM 0 H LEU A 142 -0.582 -3.746 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.511 -6.051 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.297 -5.248 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.830 -6.611 -4.023 1.00 0.00 H new ATOM 0 HG LEU A 142 0.315 -3.735 -4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.266 -3.916 -6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.700 -4.044 -4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.639 -5.506 -5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.102 -4.671 -7.078 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.347 -6.305 -6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -1.089 -5.363 -5.951 1.00 0.00 H new ATOM 901 N SER A 143 -0.894 -7.582 -1.878 1.00 0.00 N ATOM 902 CA SER A 143 -0.937 -8.389 -0.687 1.00 0.00 C ATOM 903 C SER A 143 0.412 -8.333 0.053 1.00 0.00 C ATOM 904 O SER A 143 1.486 -8.351 -0.585 1.00 0.00 O ATOM 905 CB SER A 143 -1.340 -9.821 -1.035 1.00 0.00 C ATOM 906 OG SER A 143 -2.612 -9.844 -1.687 1.00 0.00 O ATOM 0 H SER A 143 -0.922 -8.115 -2.747 1.00 0.00 H new ATOM 0 HA SER A 143 -1.693 -7.989 -0.011 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.586 -10.269 -1.682 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.380 -10.423 -0.128 1.00 0.00 H new ATOM 0 HG SER A 143 -2.852 -10.769 -1.903 1.00 0.00 H new