USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 617 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 19 HIS : no HE2:sc= 0.516 K(o=1.7,f=-1.5) USER MOD Set 1.2: A 23 SER OG : rot 162:sc= 1.2 USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 20 ASN : amide:sc= 1.2 K(o=1.2,f=-0.035) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.269 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 94:sc= 1.21 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0435 USER MOD Single : A 33 LYS NZ :NH3+ -138:sc= 1.11 (180deg=-1.59!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= 0.593 (180deg=-0.763!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 169:sc= 1.24 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -100:sc= 0.0937 USER MOD Single : A 84 SER OG : rot 89:sc= 1.33 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -3.383 12.972 -14.457 1.00 10.00 N ATOM 95 CA LEU A 6 -2.568 12.320 -13.425 1.00 10.00 C ATOM 96 C LEU A 6 -1.373 13.214 -13.047 1.00 10.00 C ATOM 97 O LEU A 6 -0.423 13.330 -13.816 1.00 10.00 O ATOM 98 CB LEU A 6 -2.144 10.916 -13.882 1.00 10.00 C ATOM 99 CG LEU A 6 -3.308 9.915 -14.042 1.00 10.00 C ATOM 100 CD1 LEU A 6 -2.743 8.556 -14.471 1.00 10.00 C ATOM 101 CD2 LEU A 6 -4.120 9.718 -12.754 1.00 10.00 C ATOM 0 HA LEU A 6 -3.163 12.187 -12.521 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -1.621 11.001 -14.835 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -1.432 10.513 -13.162 1.00 10.00 H new ATOM 0 HG LEU A 6 -3.981 10.330 -14.793 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -3.559 7.843 -14.586 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -2.218 8.663 -15.420 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -2.049 8.194 -13.712 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -4.922 9.003 -12.935 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -3.468 9.340 -11.967 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -4.547 10.672 -12.444 1.00 10.00 H new ATOM 113 N THR A 7 -1.423 13.855 -11.869 1.00 10.00 N ATOM 114 CA THR A 7 -0.319 14.656 -11.329 1.00 10.00 C ATOM 115 C THR A 7 -0.185 14.434 -9.819 1.00 10.00 C ATOM 116 O THR A 7 -0.808 13.527 -9.276 1.00 10.00 O ATOM 117 CB THR A 7 -0.488 16.137 -11.721 1.00 10.00 C ATOM 118 OG1 THR A 7 0.693 16.860 -11.451 1.00 10.00 O ATOM 119 CG2 THR A 7 -1.655 16.855 -11.042 1.00 10.00 C ATOM 0 H THR A 7 -2.241 13.830 -11.260 1.00 10.00 H new ATOM 0 HA THR A 7 0.622 14.328 -11.770 1.00 10.00 H new ATOM 0 HB THR A 7 -0.708 16.112 -12.788 1.00 10.00 H new ATOM 0 HG1 THR A 7 0.568 17.798 -11.707 1.00 10.00 H new ATOM 0 HG21 THR A 7 -1.692 17.890 -11.381 1.00 10.00 H new ATOM 0 HG22 THR A 7 -2.589 16.355 -11.299 1.00 10.00 H new ATOM 0 HG23 THR A 7 -1.517 16.832 -9.961 1.00 10.00 H new ATOM 127 N GLU A 8 0.635 15.247 -9.148 1.00 10.00 N ATOM 128 CA GLU A 8 0.988 15.157 -7.726 1.00 10.00 C ATOM 129 C GLU A 8 -0.200 14.812 -6.817 1.00 10.00 C ATOM 130 O GLU A 8 -0.093 13.897 -6.008 1.00 10.00 O ATOM 131 CB GLU A 8 1.624 16.500 -7.330 1.00 10.00 C ATOM 132 CG GLU A 8 2.094 16.575 -5.872 1.00 10.00 C ATOM 133 CD GLU A 8 2.689 17.958 -5.587 1.00 10.00 C ATOM 134 OE1 GLU A 8 1.885 18.898 -5.393 1.00 10.00 O ATOM 135 OE2 GLU A 8 3.935 18.067 -5.603 1.00 10.00 O ATOM 0 H GLU A 8 1.098 16.031 -9.608 1.00 10.00 H new ATOM 0 HA GLU A 8 1.686 14.332 -7.588 1.00 10.00 H new ATOM 0 HB2 GLU A 8 2.475 16.691 -7.983 1.00 10.00 H new ATOM 0 HB3 GLU A 8 0.901 17.296 -7.507 1.00 10.00 H new ATOM 0 HG2 GLU A 8 1.257 16.384 -5.201 1.00 10.00 H new ATOM 0 HG3 GLU A 8 2.839 15.802 -5.681 1.00 10.00 H new ATOM 142 N GLY A 9 -1.346 15.481 -6.998 1.00 10.00 N ATOM 143 CA GLY A 9 -2.542 15.246 -6.184 1.00 10.00 C ATOM 144 C GLY A 9 -3.160 13.866 -6.406 1.00 10.00 C ATOM 145 O GLY A 9 -3.434 13.121 -5.470 1.00 10.00 O ATOM 0 H GLY A 9 -1.468 16.199 -7.712 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -2.284 15.356 -5.131 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -3.285 16.010 -6.412 1.00 10.00 H new ATOM 149 N ASP A 10 -3.360 13.527 -7.675 1.00 10.00 N ATOM 150 CA ASP A 10 -3.975 12.291 -8.140 1.00 10.00 C ATOM 151 C ASP A 10 -3.076 11.068 -7.829 1.00 10.00 C ATOM 152 O ASP A 10 -3.564 10.001 -7.452 1.00 10.00 O ATOM 153 CB ASP A 10 -4.273 12.490 -9.641 1.00 10.00 C ATOM 154 CG ASP A 10 -4.893 13.879 -9.944 1.00 10.00 C ATOM 155 OD1 ASP A 10 -4.134 14.884 -9.993 1.00 10.00 O ATOM 156 OD2 ASP A 10 -6.133 13.954 -10.077 1.00 10.00 O ATOM 0 H ASP A 10 -3.084 14.137 -8.444 1.00 10.00 H new ATOM 0 HA ASP A 10 -4.907 12.074 -7.618 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -3.350 12.376 -10.210 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -4.955 11.710 -9.979 1.00 10.00 H new ATOM 161 N LEU A 11 -1.752 11.251 -7.911 1.00 10.00 N ATOM 162 CA LEU A 11 -0.736 10.305 -7.444 1.00 10.00 C ATOM 163 C LEU A 11 -0.671 10.195 -5.914 1.00 10.00 C ATOM 164 O LEU A 11 -0.548 9.077 -5.414 1.00 10.00 O ATOM 165 CB LEU A 11 0.635 10.682 -8.038 1.00 10.00 C ATOM 166 CG LEU A 11 0.900 10.226 -9.491 1.00 10.00 C ATOM 167 CD1 LEU A 11 -0.270 10.299 -10.480 1.00 10.00 C ATOM 168 CD2 LEU A 11 2.078 11.012 -10.075 1.00 10.00 C ATOM 0 H LEU A 11 -1.346 12.093 -8.319 1.00 10.00 H new ATOM 0 HA LEU A 11 -1.024 9.315 -7.797 1.00 10.00 H new ATOM 0 HB2 LEU A 11 0.740 11.766 -7.995 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.412 10.261 -7.400 1.00 10.00 H new ATOM 0 HG LEU A 11 1.106 9.161 -9.384 1.00 10.00 H new ATOM 0 HD11 LEU A 11 0.059 9.949 -11.459 1.00 10.00 H new ATOM 0 HD12 LEU A 11 -1.086 9.670 -10.125 1.00 10.00 H new ATOM 0 HD13 LEU A 11 -0.615 11.330 -10.560 1.00 10.00 H new ATOM 0 HD21 LEU A 11 2.260 10.687 -11.099 1.00 10.00 H new ATOM 0 HD22 LEU A 11 1.844 12.077 -10.069 1.00 10.00 H new ATOM 0 HD23 LEU A 11 2.969 10.833 -9.473 1.00 10.00 H new ATOM 180 N ASP A 12 -0.786 11.300 -5.166 1.00 10.00 N ATOM 181 CA ASP A 12 -0.880 11.257 -3.703 1.00 10.00 C ATOM 182 C ASP A 12 -2.143 10.523 -3.235 1.00 10.00 C ATOM 183 O ASP A 12 -2.054 9.707 -2.325 1.00 10.00 O ATOM 184 CB ASP A 12 -0.806 12.671 -3.108 1.00 10.00 C ATOM 185 CG ASP A 12 -0.732 12.632 -1.579 1.00 10.00 C ATOM 186 OD1 ASP A 12 0.251 12.045 -1.074 1.00 10.00 O ATOM 187 OD2 ASP A 12 -1.647 13.196 -0.940 1.00 10.00 O ATOM 0 H ASP A 12 -0.816 12.242 -5.556 1.00 10.00 H new ATOM 0 HA ASP A 12 -0.025 10.690 -3.336 1.00 10.00 H new ATOM 0 HB2 ASP A 12 0.069 13.188 -3.503 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -1.681 13.243 -3.417 1.00 10.00 H new ATOM 192 N GLU A 13 -3.293 10.711 -3.898 1.00 10.00 N ATOM 193 CA GLU A 13 -4.507 9.927 -3.623 1.00 10.00 C ATOM 194 C GLU A 13 -4.275 8.417 -3.817 1.00 10.00 C ATOM 195 O GLU A 13 -4.657 7.625 -2.954 1.00 10.00 O ATOM 196 CB GLU A 13 -5.662 10.408 -4.519 1.00 10.00 C ATOM 197 CG GLU A 13 -6.271 11.749 -4.079 1.00 10.00 C ATOM 198 CD GLU A 13 -7.318 11.577 -2.970 1.00 10.00 C ATOM 199 OE1 GLU A 13 -6.947 11.062 -1.891 1.00 10.00 O ATOM 200 OE2 GLU A 13 -8.485 11.958 -3.219 1.00 10.00 O ATOM 0 H GLU A 13 -3.408 11.406 -4.636 1.00 10.00 H new ATOM 0 HA GLU A 13 -4.770 10.085 -2.577 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -5.300 10.502 -5.543 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -6.444 9.649 -4.526 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -5.477 12.408 -3.727 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -6.732 12.236 -4.939 1.00 10.00 H new ATOM 207 N ILE A 14 -3.594 8.003 -4.898 1.00 10.00 N ATOM 208 CA ILE A 14 -3.226 6.590 -5.107 1.00 10.00 C ATOM 209 C ILE A 14 -2.218 6.112 -4.045 1.00 10.00 C ATOM 210 O ILE A 14 -2.415 5.050 -3.454 1.00 10.00 O ATOM 211 CB ILE A 14 -2.719 6.372 -6.552 1.00 10.00 C ATOM 212 CG1 ILE A 14 -3.910 6.499 -7.535 1.00 10.00 C ATOM 213 CG2 ILE A 14 -2.027 5.003 -6.716 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.538 6.461 -9.025 1.00 10.00 C ATOM 0 H ILE A 14 -3.286 8.627 -5.643 1.00 10.00 H new ATOM 0 HA ILE A 14 -4.117 5.974 -4.982 1.00 10.00 H new ATOM 0 HB ILE A 14 -1.974 7.136 -6.774 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.614 5.692 -7.333 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.430 7.435 -7.331 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -1.685 4.889 -7.745 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.173 4.944 -6.041 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -2.733 4.208 -6.478 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.441 6.557 -9.628 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -2.861 7.284 -9.252 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -3.048 5.515 -9.254 1.00 10.00 H new ATOM 226 N SER A 15 -1.167 6.890 -3.761 1.00 10.00 N ATOM 227 CA SER A 15 -0.177 6.571 -2.722 1.00 10.00 C ATOM 228 C SER A 15 -0.825 6.430 -1.336 1.00 10.00 C ATOM 229 O SER A 15 -0.561 5.469 -0.612 1.00 10.00 O ATOM 230 CB SER A 15 0.896 7.665 -2.710 1.00 10.00 C ATOM 231 OG SER A 15 1.939 7.307 -1.832 1.00 10.00 O ATOM 0 H SER A 15 -0.977 7.766 -4.249 1.00 10.00 H new ATOM 0 HA SER A 15 0.276 5.608 -2.955 1.00 10.00 H new ATOM 0 HB2 SER A 15 1.290 7.811 -3.716 1.00 10.00 H new ATOM 0 HB3 SER A 15 0.457 8.613 -2.399 1.00 10.00 H new ATOM 0 HG SER A 15 2.622 8.010 -1.831 1.00 10.00 H new ATOM 237 N SER A 16 -1.749 7.337 -1.006 1.00 10.00 N ATOM 238 CA SER A 16 -2.559 7.311 0.209 1.00 10.00 C ATOM 239 C SER A 16 -3.489 6.097 0.245 1.00 10.00 C ATOM 240 O SER A 16 -3.548 5.420 1.273 1.00 10.00 O ATOM 241 CB SER A 16 -3.369 8.609 0.301 1.00 10.00 C ATOM 242 OG SER A 16 -4.132 8.631 1.490 1.00 10.00 O ATOM 0 H SER A 16 -1.959 8.138 -1.602 1.00 10.00 H new ATOM 0 HA SER A 16 -1.892 7.230 1.067 1.00 10.00 H new ATOM 0 HB2 SER A 16 -2.697 9.467 0.277 1.00 10.00 H new ATOM 0 HB3 SER A 16 -4.028 8.696 -0.563 1.00 10.00 H new ATOM 0 HG SER A 16 -4.643 9.466 1.536 1.00 10.00 H new ATOM 248 N PHE A 17 -4.162 5.762 -0.865 1.00 10.00 N ATOM 249 CA PHE A 17 -4.986 4.553 -0.961 1.00 10.00 C ATOM 250 C PHE A 17 -4.158 3.283 -0.712 1.00 10.00 C ATOM 251 O PHE A 17 -4.587 2.403 0.040 1.00 10.00 O ATOM 252 CB PHE A 17 -5.672 4.524 -2.336 1.00 10.00 C ATOM 253 CG PHE A 17 -6.365 3.217 -2.673 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.585 2.885 -2.054 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.779 2.322 -3.591 1.00 10.00 C ATOM 256 CE1 PHE A 17 -8.219 1.667 -2.354 1.00 10.00 C ATOM 257 CE2 PHE A 17 -6.413 1.103 -3.890 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.633 0.778 -3.273 1.00 10.00 C ATOM 0 H PHE A 17 -4.149 6.321 -1.718 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.749 4.577 -0.183 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.405 5.329 -2.378 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.926 4.732 -3.103 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -8.034 3.567 -1.348 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -4.842 2.573 -4.065 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -9.155 1.414 -1.879 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -5.963 0.418 -4.593 1.00 10.00 H new ATOM 0 HZ PHE A 17 -8.122 -0.157 -3.505 1.00 10.00 H new ATOM 268 N LEU A 18 -2.948 3.212 -1.279 1.00 10.00 N ATOM 269 CA LEU A 18 -2.019 2.104 -1.064 1.00 10.00 C ATOM 270 C LEU A 18 -1.531 2.040 0.388 1.00 10.00 C ATOM 271 O LEU A 18 -1.656 0.987 1.012 1.00 10.00 O ATOM 272 CB LEU A 18 -0.847 2.227 -2.054 1.00 10.00 C ATOM 273 CG LEU A 18 -1.264 1.957 -3.512 1.00 10.00 C ATOM 274 CD1 LEU A 18 -0.160 2.387 -4.480 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.563 0.477 -3.741 1.00 10.00 C ATOM 0 H LEU A 18 -2.586 3.931 -1.906 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.542 1.166 -1.249 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.421 3.228 -1.983 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -0.063 1.526 -1.770 1.00 10.00 H new ATOM 0 HG LEU A 18 -2.167 2.538 -3.698 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -0.476 2.187 -5.504 1.00 10.00 H new ATOM 0 HD12 LEU A 18 0.033 3.453 -4.361 1.00 10.00 H new ATOM 0 HD13 LEU A 18 0.750 1.827 -4.265 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -1.854 0.321 -4.780 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -0.673 -0.112 -3.521 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.376 0.164 -3.086 1.00 10.00 H new ATOM 287 N HIS A 19 -1.046 3.152 0.957 1.00 10.00 N ATOM 288 CA HIS A 19 -0.610 3.194 2.354 1.00 10.00 C ATOM 289 C HIS A 19 -1.738 2.786 3.310 1.00 10.00 C ATOM 290 O HIS A 19 -1.530 1.903 4.143 1.00 10.00 O ATOM 291 CB HIS A 19 -0.065 4.591 2.704 1.00 10.00 C ATOM 292 CG HIS A 19 0.040 4.838 4.194 1.00 10.00 C ATOM 293 ND1 HIS A 19 -0.471 5.921 4.872 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.482 3.953 5.143 1.00 10.00 C ATOM 295 CE1 HIS A 19 -0.352 5.682 6.190 1.00 10.00 C ATOM 296 NE2 HIS A 19 0.202 4.479 6.408 1.00 10.00 N ATOM 0 H HIS A 19 -0.946 4.039 0.464 1.00 10.00 H new ATOM 0 HA HIS A 19 0.194 2.469 2.477 1.00 10.00 H new ATOM 0 HB2 HIS A 19 0.920 4.713 2.253 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.714 5.347 2.262 1.00 10.00 H new ATOM 0 HD1 HIS A 19 -0.870 6.759 4.449 1.00 10.00 H new ATOM 0 HD2 HIS A 19 0.966 3.008 4.946 1.00 10.00 H new ATOM 0 HE1 HIS A 19 -0.660 6.365 6.968 1.00 10.00 H new ATOM 304 N ASN A 20 -2.933 3.375 3.170 1.00 10.00 N ATOM 305 CA ASN A 20 -4.071 3.019 4.016 1.00 10.00 C ATOM 306 C ASN A 20 -4.462 1.547 3.835 1.00 10.00 C ATOM 307 O ASN A 20 -4.726 0.881 4.829 1.00 10.00 O ATOM 308 CB ASN A 20 -5.252 3.969 3.767 1.00 10.00 C ATOM 309 CG ASN A 20 -5.030 5.334 4.406 1.00 10.00 C ATOM 310 OD1 ASN A 20 -5.278 5.540 5.583 1.00 10.00 O ATOM 311 ND2 ASN A 20 -4.552 6.307 3.660 1.00 10.00 N ATOM 0 H ASN A 20 -3.133 4.098 2.479 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.773 3.138 5.058 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -5.400 4.091 2.694 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -6.164 3.526 4.166 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -4.390 7.229 4.066 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -4.343 6.140 2.676 1.00 10.00 H new ATOM 318 N THR A 21 -4.389 1.002 2.611 1.00 10.00 N ATOM 319 CA THR A 21 -4.665 -0.421 2.357 1.00 10.00 C ATOM 320 C THR A 21 -3.691 -1.324 3.124 1.00 10.00 C ATOM 321 O THR A 21 -4.137 -2.254 3.794 1.00 10.00 O ATOM 322 CB THR A 21 -4.621 -0.739 0.850 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.571 0.044 0.164 1.00 10.00 O ATOM 324 CG2 THR A 21 -4.956 -2.200 0.541 1.00 10.00 C ATOM 0 H THR A 21 -4.139 1.530 1.775 1.00 10.00 H new ATOM 0 HA THR A 21 -5.673 -0.624 2.719 1.00 10.00 H new ATOM 0 HB THR A 21 -3.601 -0.526 0.530 1.00 10.00 H new ATOM 0 HG1 THR A 21 -5.141 0.856 -0.177 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.909 -2.364 -0.536 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.238 -2.851 1.039 1.00 10.00 H new ATOM 0 HG23 THR A 21 -5.960 -2.427 0.899 1.00 10.00 H new ATOM 332 N ILE A 22 -2.380 -1.034 3.093 1.00 10.00 N ATOM 333 CA ILE A 22 -1.390 -1.782 3.887 1.00 10.00 C ATOM 334 C ILE A 22 -1.648 -1.600 5.388 1.00 10.00 C ATOM 335 O ILE A 22 -1.707 -2.590 6.116 1.00 10.00 O ATOM 336 CB ILE A 22 0.054 -1.356 3.537 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.358 -1.608 2.053 1.00 10.00 C ATOM 338 CG2 ILE A 22 1.108 -2.099 4.382 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.806 -1.294 1.690 1.00 10.00 C ATOM 0 H ILE A 22 -1.980 -0.286 2.526 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.500 -2.837 3.638 1.00 10.00 H new ATOM 0 HB ILE A 22 0.115 -0.291 3.759 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.145 -2.650 1.814 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.307 -0.998 1.441 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.105 -1.763 4.097 1.00 10.00 H new ATOM 0 HG22 ILE A 22 0.942 -1.888 5.438 1.00 10.00 H new ATOM 0 HG23 ILE A 22 1.023 -3.172 4.209 1.00 10.00 H new ATOM 0 HD11 ILE A 22 1.966 -1.490 0.630 1.00 10.00 H new ATOM 0 HD12 ILE A 22 2.015 -0.245 1.901 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.473 -1.922 2.280 1.00 10.00 H new ATOM 351 N SER A 23 -1.807 -0.357 5.857 1.00 10.00 N ATOM 352 CA SER A 23 -1.993 -0.051 7.279 1.00 10.00 C ATOM 353 C SER A 23 -3.266 -0.688 7.852 1.00 10.00 C ATOM 354 O SER A 23 -3.213 -1.273 8.934 1.00 10.00 O ATOM 355 CB SER A 23 -1.957 1.467 7.493 1.00 10.00 C ATOM 356 OG SER A 23 -0.623 1.901 7.300 1.00 10.00 O ATOM 0 H SER A 23 -1.810 0.468 5.258 1.00 10.00 H new ATOM 0 HA SER A 23 -1.167 -0.496 7.834 1.00 10.00 H new ATOM 0 HB2 SER A 23 -2.626 1.967 6.793 1.00 10.00 H new ATOM 0 HB3 SER A 23 -2.299 1.719 8.497 1.00 10.00 H new ATOM 0 HG SER A 23 -0.613 2.868 7.143 1.00 10.00 H new ATOM 362 N ASP A 24 -4.381 -0.677 7.111 1.00 10.00 N ATOM 363 CA ASP A 24 -5.599 -1.400 7.483 1.00 10.00 C ATOM 364 C ASP A 24 -5.394 -2.921 7.455 1.00 10.00 C ATOM 365 O ASP A 24 -5.887 -3.608 8.348 1.00 10.00 O ATOM 366 CB ASP A 24 -6.768 -1.017 6.556 1.00 10.00 C ATOM 367 CG ASP A 24 -7.326 0.390 6.804 1.00 10.00 C ATOM 368 OD1 ASP A 24 -7.279 0.838 7.973 1.00 10.00 O ATOM 369 OD2 ASP A 24 -7.858 0.974 5.834 1.00 10.00 O ATOM 0 H ASP A 24 -4.462 -0.164 6.233 1.00 10.00 H new ATOM 0 HA ASP A 24 -5.840 -1.109 8.505 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.435 -1.087 5.520 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.571 -1.743 6.683 1.00 10.00 H new ATOM 374 N PHE A 25 -4.644 -3.467 6.486 1.00 10.00 N ATOM 375 CA PHE A 25 -4.342 -4.901 6.450 1.00 10.00 C ATOM 376 C PHE A 25 -3.453 -5.335 7.634 1.00 10.00 C ATOM 377 O PHE A 25 -3.673 -6.388 8.240 1.00 10.00 O ATOM 378 CB PHE A 25 -3.715 -5.270 5.096 1.00 10.00 C ATOM 379 CG PHE A 25 -3.791 -6.749 4.768 1.00 10.00 C ATOM 380 CD1 PHE A 25 -2.873 -7.653 5.332 1.00 10.00 C ATOM 381 CD2 PHE A 25 -4.785 -7.225 3.890 1.00 10.00 C ATOM 382 CE1 PHE A 25 -2.969 -9.022 5.040 1.00 10.00 C ATOM 383 CE2 PHE A 25 -4.884 -8.599 3.606 1.00 10.00 C ATOM 384 CZ PHE A 25 -3.975 -9.500 4.186 1.00 10.00 C ATOM 0 H PHE A 25 -4.236 -2.934 5.717 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.277 -5.450 6.557 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.216 -4.707 4.309 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.670 -4.960 5.094 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.095 -7.294 5.989 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -5.475 -6.531 3.433 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -2.263 -9.713 5.476 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -5.657 -8.961 2.944 1.00 10.00 H new ATOM 0 HZ PHE A 25 -4.050 -10.557 3.975 1.00 10.00 H new ATOM 394 N ILE A 26 -2.485 -4.500 8.026 1.00 10.00 N ATOM 395 CA ILE A 26 -1.704 -4.696 9.237 1.00 10.00 C ATOM 396 C ILE A 26 -2.637 -4.664 10.451 1.00 10.00 C ATOM 397 O ILE A 26 -2.667 -5.645 11.190 1.00 10.00 O ATOM 398 CB ILE A 26 -0.585 -3.635 9.279 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.498 -3.993 8.237 1.00 10.00 C ATOM 400 CG2 ILE A 26 0.014 -3.523 10.683 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.462 -2.839 7.954 1.00 10.00 C ATOM 0 H ILE A 26 -2.225 -3.664 7.503 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.217 -5.671 9.252 1.00 10.00 H new ATOM 0 HB ILE A 26 -1.007 -2.661 9.031 1.00 10.00 H new ATOM 0 HG12 ILE A 26 1.065 -4.854 8.592 1.00 10.00 H new ATOM 0 HG13 ILE A 26 0.014 -4.291 7.307 1.00 10.00 H new ATOM 0 HG21 ILE A 26 0.800 -2.768 10.684 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.765 -3.236 11.389 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.434 -4.485 10.977 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.199 -3.153 7.214 1.00 10.00 H new ATOM 0 HD12 ILE A 26 0.904 -1.985 7.570 1.00 10.00 H new ATOM 0 HD13 ILE A 26 1.971 -2.556 8.875 1.00 10.00 H new ATOM 413 N LEU A 27 -3.462 -3.619 10.615 1.00 10.00 N ATOM 414 CA LEU A 27 -4.371 -3.500 11.762 1.00 10.00 C ATOM 415 C LEU A 27 -5.437 -4.607 11.822 1.00 10.00 C ATOM 416 O LEU A 27 -5.799 -5.031 12.919 1.00 10.00 O ATOM 417 CB LEU A 27 -5.013 -2.096 11.795 1.00 10.00 C ATOM 418 CG LEU A 27 -4.325 -1.077 12.728 1.00 10.00 C ATOM 419 CD1 LEU A 27 -4.495 -1.455 14.206 1.00 10.00 C ATOM 420 CD2 LEU A 27 -2.832 -0.887 12.443 1.00 10.00 C ATOM 0 H LEU A 27 -3.517 -2.838 9.961 1.00 10.00 H new ATOM 0 HA LEU A 27 -3.763 -3.635 12.657 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -5.016 -1.692 10.783 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -6.054 -2.198 12.101 1.00 10.00 H new ATOM 0 HG LEU A 27 -4.829 -0.133 12.520 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -3.997 -0.714 14.831 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -5.556 -1.485 14.454 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -4.053 -2.435 14.384 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -2.419 -0.157 13.139 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -2.314 -1.838 12.566 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -2.699 -0.531 11.421 1.00 10.00 H new ATOM 432 N LYS A 28 -5.916 -5.115 10.674 1.00 10.00 N ATOM 433 CA LYS A 28 -6.851 -6.250 10.626 1.00 10.00 C ATOM 434 C LYS A 28 -6.180 -7.606 10.898 1.00 10.00 C ATOM 435 O LYS A 28 -6.903 -8.585 11.083 1.00 10.00 O ATOM 436 CB LYS A 28 -7.709 -6.209 9.341 1.00 10.00 C ATOM 437 CG LYS A 28 -7.070 -6.775 8.064 1.00 10.00 C ATOM 438 CD LYS A 28 -7.342 -8.249 7.739 1.00 10.00 C ATOM 439 CE LYS A 28 -8.816 -8.481 7.394 1.00 10.00 C ATOM 440 NZ LYS A 28 -9.062 -9.896 7.035 1.00 10.00 N ATOM 0 H LYS A 28 -5.666 -4.750 9.755 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.544 -6.137 11.460 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -8.632 -6.757 9.531 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -7.987 -5.172 9.151 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -7.411 -6.174 7.221 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.991 -6.639 8.137 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -6.717 -8.560 6.902 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -7.064 -8.869 8.592 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -9.440 -8.204 8.244 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -9.104 -7.836 6.564 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -10.068 -10.026 6.806 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -8.483 -10.150 6.209 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -8.808 -10.507 7.837 1.00 10.00 H new ATOM 454 N ARG A 29 -4.837 -7.675 10.964 1.00 10.00 N ATOM 455 CA ARG A 29 -4.094 -8.875 11.397 1.00 10.00 C ATOM 456 C ARG A 29 -3.383 -8.758 12.757 1.00 10.00 C ATOM 457 O ARG A 29 -3.321 -9.767 13.454 1.00 10.00 O ATOM 458 CB ARG A 29 -3.085 -9.275 10.311 1.00 10.00 C ATOM 459 CG ARG A 29 -3.639 -10.330 9.341 1.00 10.00 C ATOM 460 CD ARG A 29 -2.522 -10.729 8.365 1.00 10.00 C ATOM 461 NE ARG A 29 -2.503 -12.153 7.976 1.00 10.00 N ATOM 462 CZ ARG A 29 -2.031 -13.139 8.730 1.00 10.00 C ATOM 463 NH1 ARG A 29 -2.056 -13.126 10.038 1.00 10.00 N ATOM 464 NH2 ARG A 29 -1.432 -14.179 8.220 1.00 10.00 N ATOM 0 H ARG A 29 -4.231 -6.893 10.716 1.00 10.00 H new ATOM 0 HA ARG A 29 -4.850 -9.647 11.541 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -2.794 -8.388 9.748 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -2.183 -9.662 10.785 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -3.991 -11.203 9.891 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -4.494 -9.931 8.795 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -2.617 -10.124 7.463 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -1.562 -10.480 8.816 1.00 10.00 H new ATOM 0 HE ARG A 29 -2.880 -12.398 7.060 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -2.454 -12.328 10.533 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -1.678 -13.914 10.563 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -1.313 -14.255 7.210 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -1.082 -14.917 8.831 1.00 10.00 H new ATOM 478 N VAL A 30 -2.852 -7.590 13.137 1.00 10.00 N ATOM 479 CA VAL A 30 -2.089 -7.358 14.380 1.00 10.00 C ATOM 480 C VAL A 30 -2.453 -5.984 14.956 1.00 10.00 C ATOM 481 O VAL A 30 -2.485 -4.986 14.237 1.00 10.00 O ATOM 482 CB VAL A 30 -0.567 -7.429 14.109 1.00 10.00 C ATOM 483 CG1 VAL A 30 0.271 -7.175 15.369 1.00 10.00 C ATOM 484 CG2 VAL A 30 -0.132 -8.799 13.574 1.00 10.00 C ATOM 0 H VAL A 30 -2.942 -6.747 12.570 1.00 10.00 H new ATOM 0 HA VAL A 30 -2.346 -8.135 15.099 1.00 10.00 H new ATOM 0 HB VAL A 30 -0.391 -6.649 13.368 1.00 10.00 H new ATOM 0 HG11 VAL A 30 1.330 -7.237 15.120 1.00 10.00 H new ATOM 0 HG12 VAL A 30 0.048 -6.183 15.761 1.00 10.00 H new ATOM 0 HG13 VAL A 30 0.031 -7.925 16.123 1.00 10.00 H new ATOM 0 HG21 VAL A 30 0.944 -8.797 13.400 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -0.380 -9.570 14.303 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -0.650 -9.005 12.638 1.00 10.00 H new ATOM 494 N SER A 31 -2.703 -5.917 16.265 1.00 10.00 N ATOM 495 CA SER A 31 -3.022 -4.676 16.968 1.00 10.00 C ATOM 496 C SER A 31 -1.803 -3.765 17.103 1.00 10.00 C ATOM 497 O SER A 31 -0.727 -4.198 17.508 1.00 10.00 O ATOM 498 CB SER A 31 -3.587 -4.975 18.357 1.00 10.00 C ATOM 499 OG SER A 31 -3.896 -3.760 19.022 1.00 10.00 O ATOM 0 H SER A 31 -2.689 -6.735 16.874 1.00 10.00 H new ATOM 0 HA SER A 31 -3.771 -4.157 16.370 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.482 -5.591 18.271 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.863 -5.545 18.939 1.00 10.00 H new ATOM 0 HG SER A 31 -4.259 -3.957 19.911 1.00 10.00 H new ATOM 505 N ALA A 32 -1.994 -2.466 16.862 1.00 10.00 N ATOM 506 CA ALA A 32 -1.016 -1.425 17.142 1.00 10.00 C ATOM 507 C ALA A 32 -0.461 -1.483 18.580 1.00 10.00 C ATOM 508 O ALA A 32 0.665 -1.054 18.790 1.00 10.00 O ATOM 509 CB ALA A 32 -1.647 -0.062 16.838 1.00 10.00 C ATOM 0 H ALA A 32 -2.857 -2.105 16.456 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.153 -1.588 16.496 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -0.924 0.728 17.044 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -1.939 -0.022 15.789 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -2.527 0.079 17.465 1.00 10.00 H new ATOM 515 N LYS A 33 -1.177 -2.052 19.569 1.00 10.00 N ATOM 516 CA LYS A 33 -0.618 -2.268 20.920 1.00 10.00 C ATOM 517 C LYS A 33 0.553 -3.257 20.957 1.00 10.00 C ATOM 518 O LYS A 33 1.333 -3.246 21.908 1.00 10.00 O ATOM 519 CB LYS A 33 -1.734 -2.640 21.913 1.00 10.00 C ATOM 520 CG LYS A 33 -2.151 -4.119 22.064 1.00 10.00 C ATOM 521 CD LYS A 33 -1.236 -5.107 22.824 1.00 10.00 C ATOM 522 CE LYS A 33 -0.817 -4.743 24.259 1.00 10.00 C ATOM 523 NZ LYS A 33 0.251 -3.714 24.318 1.00 10.00 N ATOM 0 H LYS A 33 -2.140 -2.370 19.460 1.00 10.00 H new ATOM 0 HA LYS A 33 -0.183 -1.319 21.234 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -1.429 -2.284 22.897 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -2.624 -2.076 21.632 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -3.123 -4.133 22.557 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -2.297 -4.519 21.060 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -1.742 -6.072 22.858 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -0.329 -5.243 22.235 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -1.689 -4.382 24.804 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -0.473 -5.643 24.768 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 0.946 -3.976 25.046 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 0.725 -3.652 23.394 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -0.168 -2.792 24.555 1.00 10.00 H new ATOM 537 N GLU A 34 0.624 -4.151 19.975 1.00 10.00 N ATOM 538 CA GLU A 34 1.672 -5.171 19.811 1.00 10.00 C ATOM 539 C GLU A 34 2.880 -4.631 19.018 1.00 10.00 C ATOM 540 O GLU A 34 3.952 -5.248 19.021 1.00 10.00 O ATOM 541 CB GLU A 34 1.090 -6.392 19.067 1.00 10.00 C ATOM 542 CG GLU A 34 -0.173 -6.993 19.710 1.00 10.00 C ATOM 543 CD GLU A 34 -0.822 -8.036 18.792 1.00 10.00 C ATOM 544 OE1 GLU A 34 -0.280 -9.159 18.723 1.00 10.00 O ATOM 545 OE2 GLU A 34 -1.851 -7.697 18.159 1.00 10.00 O ATOM 0 H GLU A 34 -0.076 -4.192 19.235 1.00 10.00 H new ATOM 0 HA GLU A 34 2.016 -5.455 20.806 1.00 10.00 H new ATOM 0 HB2 GLU A 34 0.856 -6.099 18.043 1.00 10.00 H new ATOM 0 HB3 GLU A 34 1.856 -7.165 19.011 1.00 10.00 H new ATOM 0 HG2 GLU A 34 0.086 -7.455 20.663 1.00 10.00 H new ATOM 0 HG3 GLU A 34 -0.888 -6.199 19.924 1.00 10.00 H new ATOM 552 N ILE A 35 2.693 -3.482 18.353 1.00 10.00 N ATOM 553 CA ILE A 35 3.591 -2.872 17.371 1.00 10.00 C ATOM 554 C ILE A 35 4.229 -1.612 17.979 1.00 10.00 C ATOM 555 O ILE A 35 3.534 -0.743 18.493 1.00 10.00 O ATOM 556 CB ILE A 35 2.765 -2.578 16.093 1.00 10.00 C ATOM 557 CG1 ILE A 35 2.364 -3.894 15.380 1.00 10.00 C ATOM 558 CG2 ILE A 35 3.482 -1.645 15.109 1.00 10.00 C ATOM 559 CD1 ILE A 35 1.308 -3.728 14.277 1.00 10.00 C ATOM 0 H ILE A 35 1.854 -2.920 18.499 1.00 10.00 H new ATOM 0 HA ILE A 35 4.411 -3.536 17.100 1.00 10.00 H new ATOM 0 HB ILE A 35 1.868 -2.057 16.428 1.00 10.00 H new ATOM 0 HG12 ILE A 35 3.257 -4.343 14.945 1.00 10.00 H new ATOM 0 HG13 ILE A 35 1.986 -4.594 16.125 1.00 10.00 H new ATOM 0 HG21 ILE A 35 2.849 -1.480 14.237 1.00 10.00 H new ATOM 0 HG22 ILE A 35 3.686 -0.691 15.595 1.00 10.00 H new ATOM 0 HG23 ILE A 35 4.421 -2.100 14.795 1.00 10.00 H new ATOM 0 HD11 ILE A 35 1.089 -4.699 13.834 1.00 10.00 H new ATOM 0 HD12 ILE A 35 0.397 -3.311 14.706 1.00 10.00 H new ATOM 0 HD13 ILE A 35 1.688 -3.056 13.508 1.00 10.00 H new ATOM 571 N VAL A 36 5.561 -1.506 17.926 1.00 10.00 N ATOM 572 CA VAL A 36 6.276 -0.267 18.270 1.00 10.00 C ATOM 573 C VAL A 36 6.004 0.806 17.216 1.00 10.00 C ATOM 574 O VAL A 36 5.612 1.912 17.582 1.00 10.00 O ATOM 575 CB VAL A 36 7.787 -0.539 18.439 1.00 10.00 C ATOM 576 CG1 VAL A 36 8.659 0.721 18.363 1.00 10.00 C ATOM 577 CG2 VAL A 36 8.024 -1.203 19.797 1.00 10.00 C ATOM 0 H VAL A 36 6.174 -2.272 17.645 1.00 10.00 H new ATOM 0 HA VAL A 36 5.907 0.104 19.226 1.00 10.00 H new ATOM 0 HB VAL A 36 8.078 -1.182 17.608 1.00 10.00 H new ATOM 0 HG11 VAL A 36 9.706 0.447 18.491 1.00 10.00 H new ATOM 0 HG12 VAL A 36 8.525 1.199 17.392 1.00 10.00 H new ATOM 0 HG13 VAL A 36 8.367 1.414 19.152 1.00 10.00 H new ATOM 0 HG21 VAL A 36 9.089 -1.399 19.925 1.00 10.00 H new ATOM 0 HG22 VAL A 36 7.679 -0.541 20.591 1.00 10.00 H new ATOM 0 HG23 VAL A 36 7.474 -2.143 19.843 1.00 10.00 H new ATOM 587 N ASP A 37 6.174 0.483 15.925 1.00 10.00 N ATOM 588 CA ASP A 37 5.791 1.373 14.823 1.00 10.00 C ATOM 589 C ASP A 37 5.705 0.654 13.459 1.00 10.00 C ATOM 590 O ASP A 37 6.056 -0.523 13.326 1.00 10.00 O ATOM 591 CB ASP A 37 6.763 2.578 14.741 1.00 10.00 C ATOM 592 CG ASP A 37 6.031 3.890 14.423 1.00 10.00 C ATOM 593 OD1 ASP A 37 4.994 3.815 13.723 1.00 10.00 O ATOM 594 OD2 ASP A 37 6.504 4.946 14.897 1.00 10.00 O ATOM 0 H ASP A 37 6.580 -0.401 15.618 1.00 10.00 H new ATOM 0 HA ASP A 37 4.785 1.729 15.047 1.00 10.00 H new ATOM 0 HB2 ASP A 37 7.294 2.680 15.687 1.00 10.00 H new ATOM 0 HB3 ASP A 37 7.513 2.387 13.974 1.00 10.00 H new ATOM 599 N ILE A 38 5.283 1.400 12.433 1.00 10.00 N ATOM 600 CA ILE A 38 5.321 1.008 11.021 1.00 10.00 C ATOM 601 C ILE A 38 5.892 2.140 10.168 1.00 10.00 C ATOM 602 O ILE A 38 5.582 3.310 10.378 1.00 10.00 O ATOM 603 CB ILE A 38 3.936 0.578 10.469 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.817 1.626 10.686 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.546 -0.791 11.035 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.460 1.229 10.087 1.00 10.00 C ATOM 0 H ILE A 38 4.890 2.331 12.569 1.00 10.00 H new ATOM 0 HA ILE A 38 5.971 0.135 10.962 1.00 10.00 H new ATOM 0 HB ILE A 38 4.042 0.503 9.387 1.00 10.00 H new ATOM 0 HG12 ILE A 38 2.694 1.794 11.756 1.00 10.00 H new ATOM 0 HG13 ILE A 38 3.132 2.573 10.248 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.573 -1.084 10.641 1.00 10.00 H new ATOM 0 HG22 ILE A 38 4.292 -1.531 10.745 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.496 -0.734 12.122 1.00 10.00 H new ATOM 0 HD11 ILE A 38 0.732 2.016 10.283 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.564 1.090 9.011 1.00 10.00 H new ATOM 0 HD13 ILE A 38 1.120 0.299 10.542 1.00 10.00 H new ATOM 618 N ASP A 39 6.665 1.768 9.148 1.00 10.00 N ATOM 619 CA ASP A 39 7.118 2.683 8.101 1.00 10.00 C ATOM 620 C ASP A 39 6.671 2.109 6.759 1.00 10.00 C ATOM 621 O ASP A 39 6.892 0.936 6.472 1.00 10.00 O ATOM 622 CB ASP A 39 8.638 2.891 8.155 1.00 10.00 C ATOM 623 CG ASP A 39 9.043 3.897 9.233 1.00 10.00 C ATOM 624 OD1 ASP A 39 8.848 5.106 8.973 1.00 10.00 O ATOM 625 OD2 ASP A 39 9.570 3.455 10.279 1.00 10.00 O ATOM 0 H ASP A 39 6.998 0.812 9.024 1.00 10.00 H new ATOM 0 HA ASP A 39 6.677 3.669 8.247 1.00 10.00 H new ATOM 0 HB2 ASP A 39 9.127 1.936 8.348 1.00 10.00 H new ATOM 0 HB3 ASP A 39 8.991 3.239 7.184 1.00 10.00 H new ATOM 630 N ILE A 40 5.974 2.920 5.960 1.00 10.00 N ATOM 631 CA ILE A 40 5.453 2.523 4.652 1.00 10.00 C ATOM 632 C ILE A 40 5.840 3.605 3.651 1.00 10.00 C ATOM 633 O ILE A 40 5.472 4.769 3.804 1.00 10.00 O ATOM 634 CB ILE A 40 3.931 2.246 4.723 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.686 0.912 5.463 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.316 2.156 3.311 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.273 0.714 6.000 1.00 10.00 C ATOM 0 H ILE A 40 5.753 3.884 6.208 1.00 10.00 H new ATOM 0 HA ILE A 40 5.890 1.581 4.320 1.00 10.00 H new ATOM 0 HB ILE A 40 3.459 3.070 5.258 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.917 0.091 4.784 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.386 0.844 6.296 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.247 1.961 3.392 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.474 3.097 2.784 1.00 10.00 H new ATOM 0 HG23 ILE A 40 3.792 1.346 2.758 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.206 -0.252 6.501 1.00 10.00 H new ATOM 0 HD12 ILE A 40 2.039 1.508 6.709 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.562 0.744 5.174 1.00 10.00 H new ATOM 649 N THR A 41 6.573 3.197 2.616 1.00 10.00 N ATOM 650 CA THR A 41 7.030 4.059 1.531 1.00 10.00 C ATOM 651 C THR A 41 6.451 3.523 0.227 1.00 10.00 C ATOM 652 O THR A 41 6.753 2.404 -0.191 1.00 10.00 O ATOM 653 CB THR A 41 8.565 4.119 1.469 1.00 10.00 C ATOM 654 OG1 THR A 41 9.096 4.479 2.723 1.00 10.00 O ATOM 655 CG2 THR A 41 9.041 5.179 0.473 1.00 10.00 C ATOM 0 H THR A 41 6.873 2.228 2.508 1.00 10.00 H new ATOM 0 HA THR A 41 6.685 5.079 1.703 1.00 10.00 H new ATOM 0 HB THR A 41 8.903 3.129 1.164 1.00 10.00 H new ATOM 0 HG1 THR A 41 10.074 4.511 2.667 1.00 10.00 H new ATOM 0 HG21 THR A 41 10.131 5.196 0.453 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.663 4.940 -0.521 1.00 10.00 H new ATOM 0 HG23 THR A 41 8.668 6.157 0.777 1.00 10.00 H new ATOM 663 N VAL A 42 5.629 4.346 -0.424 1.00 10.00 N ATOM 664 CA VAL A 42 5.040 4.060 -1.730 1.00 10.00 C ATOM 665 C VAL A 42 5.591 5.087 -2.711 1.00 10.00 C ATOM 666 O VAL A 42 5.538 6.292 -2.460 1.00 10.00 O ATOM 667 CB VAL A 42 3.501 4.091 -1.657 1.00 10.00 C ATOM 668 CG1 VAL A 42 2.873 3.902 -3.043 1.00 10.00 C ATOM 669 CG2 VAL A 42 2.964 2.986 -0.733 1.00 10.00 C ATOM 0 H VAL A 42 5.348 5.252 -0.048 1.00 10.00 H new ATOM 0 HA VAL A 42 5.304 3.057 -2.065 1.00 10.00 H new ATOM 0 HB VAL A 42 3.229 5.069 -1.260 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.787 3.929 -2.957 1.00 10.00 H new ATOM 0 HG12 VAL A 42 3.204 4.702 -3.705 1.00 10.00 H new ATOM 0 HG13 VAL A 42 3.181 2.940 -3.454 1.00 10.00 H new ATOM 0 HG21 VAL A 42 1.875 3.034 -0.703 1.00 10.00 H new ATOM 0 HG22 VAL A 42 3.274 2.012 -1.112 1.00 10.00 H new ATOM 0 HG23 VAL A 42 3.362 3.127 0.272 1.00 10.00 H new ATOM 679 N LEU A 43 6.142 4.598 -3.819 1.00 10.00 N ATOM 680 CA LEU A 43 6.811 5.393 -4.840 1.00 10.00 C ATOM 681 C LEU A 43 6.034 5.236 -6.147 1.00 10.00 C ATOM 682 O LEU A 43 5.614 4.129 -6.483 1.00 10.00 O ATOM 683 CB LEU A 43 8.276 4.939 -5.016 1.00 10.00 C ATOM 684 CG LEU A 43 9.134 4.910 -3.730 1.00 10.00 C ATOM 685 CD1 LEU A 43 9.110 3.542 -3.030 1.00 10.00 C ATOM 686 CD2 LEU A 43 10.597 5.213 -4.070 1.00 10.00 C ATOM 0 H LEU A 43 6.133 3.601 -4.036 1.00 10.00 H new ATOM 0 HA LEU A 43 6.832 6.441 -4.542 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.276 3.940 -5.452 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.757 5.601 -5.736 1.00 10.00 H new ATOM 0 HG LEU A 43 8.706 5.660 -3.064 1.00 10.00 H new ATOM 0 HD11 LEU A 43 9.729 3.581 -2.134 1.00 10.00 H new ATOM 0 HD12 LEU A 43 8.086 3.293 -2.753 1.00 10.00 H new ATOM 0 HD13 LEU A 43 9.498 2.780 -3.706 1.00 10.00 H new ATOM 0 HD21 LEU A 43 11.194 5.191 -3.159 1.00 10.00 H new ATOM 0 HD22 LEU A 43 10.971 4.464 -4.768 1.00 10.00 H new ATOM 0 HD23 LEU A 43 10.668 6.201 -4.526 1.00 10.00 H new ATOM 698 N VAL A 44 5.864 6.331 -6.893 1.00 10.00 N ATOM 699 CA VAL A 44 5.208 6.334 -8.204 1.00 10.00 C ATOM 700 C VAL A 44 5.962 7.267 -9.158 1.00 10.00 C ATOM 701 O VAL A 44 6.374 8.360 -8.776 1.00 10.00 O ATOM 702 CB VAL A 44 3.706 6.669 -8.053 1.00 10.00 C ATOM 703 CG1 VAL A 44 3.430 8.066 -7.483 1.00 10.00 C ATOM 704 CG2 VAL A 44 2.958 6.507 -9.382 1.00 10.00 C ATOM 0 H VAL A 44 6.183 7.254 -6.599 1.00 10.00 H new ATOM 0 HA VAL A 44 5.247 5.340 -8.650 1.00 10.00 H new ATOM 0 HB VAL A 44 3.334 5.947 -7.326 1.00 10.00 H new ATOM 0 HG11 VAL A 44 2.354 8.223 -7.409 1.00 10.00 H new ATOM 0 HG12 VAL A 44 3.878 8.150 -6.493 1.00 10.00 H new ATOM 0 HG13 VAL A 44 3.862 8.820 -8.142 1.00 10.00 H new ATOM 0 HG21 VAL A 44 1.905 6.750 -9.239 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.388 7.178 -10.126 1.00 10.00 H new ATOM 0 HG23 VAL A 44 3.049 5.477 -9.727 1.00 10.00 H new ATOM 714 N GLU A 45 6.149 6.821 -10.402 1.00 10.00 N ATOM 715 CA GLU A 45 6.910 7.514 -11.444 1.00 10.00 C ATOM 716 C GLU A 45 6.301 7.192 -12.818 1.00 10.00 C ATOM 717 O GLU A 45 5.654 6.158 -12.990 1.00 10.00 O ATOM 718 CB GLU A 45 8.384 7.067 -11.353 1.00 10.00 C ATOM 719 CG GLU A 45 9.313 7.728 -12.383 1.00 10.00 C ATOM 720 CD GLU A 45 10.768 7.297 -12.176 1.00 10.00 C ATOM 721 OE1 GLU A 45 11.105 6.187 -12.645 1.00 10.00 O ATOM 722 OE2 GLU A 45 11.523 8.086 -11.568 1.00 10.00 O ATOM 0 H GLU A 45 5.760 5.934 -10.723 1.00 10.00 H new ATOM 0 HA GLU A 45 6.866 8.594 -11.307 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.756 7.287 -10.352 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.431 5.986 -11.480 1.00 10.00 H new ATOM 0 HG2 GLU A 45 8.992 7.461 -13.390 1.00 10.00 H new ATOM 0 HG3 GLU A 45 9.237 8.812 -12.301 1.00 10.00 H new ATOM 729 N TYR A 46 6.522 8.053 -13.818 1.00 10.00 N ATOM 730 CA TYR A 46 6.088 7.783 -15.185 1.00 10.00 C ATOM 731 C TYR A 46 7.221 8.217 -16.122 1.00 10.00 C ATOM 732 O TYR A 46 7.466 9.407 -16.311 1.00 10.00 O ATOM 733 CB TYR A 46 4.749 8.492 -15.445 1.00 10.00 C ATOM 734 CG TYR A 46 3.927 7.944 -16.604 1.00 10.00 C ATOM 735 CD1 TYR A 46 4.485 7.696 -17.877 1.00 10.00 C ATOM 736 CD2 TYR A 46 2.573 7.633 -16.368 1.00 10.00 C ATOM 737 CE1 TYR A 46 3.699 7.118 -18.892 1.00 10.00 C ATOM 738 CE2 TYR A 46 1.778 7.069 -17.381 1.00 10.00 C ATOM 739 CZ TYR A 46 2.346 6.801 -18.646 1.00 10.00 C ATOM 740 OH TYR A 46 1.589 6.243 -19.629 1.00 10.00 O ATOM 0 H TYR A 46 7.002 8.946 -13.701 1.00 10.00 H new ATOM 0 HA TYR A 46 5.900 6.724 -15.363 1.00 10.00 H new ATOM 0 HB2 TYR A 46 4.147 8.436 -14.538 1.00 10.00 H new ATOM 0 HB3 TYR A 46 4.948 9.547 -15.631 1.00 10.00 H new ATOM 0 HD1 TYR A 46 5.516 7.950 -18.072 1.00 10.00 H new ATOM 0 HD2 TYR A 46 2.141 7.830 -15.398 1.00 10.00 H new ATOM 0 HE1 TYR A 46 4.132 6.917 -19.861 1.00 10.00 H new ATOM 0 HE2 TYR A 46 0.739 6.842 -17.193 1.00 10.00 H new ATOM 0 HH TYR A 46 0.681 6.087 -19.294 1.00 10.00 H new ATOM 750 N THR A 47 7.947 7.236 -16.661 1.00 10.00 N ATOM 751 CA THR A 47 9.157 7.420 -17.472 1.00 10.00 C ATOM 752 C THR A 47 9.016 6.574 -18.739 1.00 10.00 C ATOM 753 O THR A 47 9.445 5.424 -18.796 1.00 10.00 O ATOM 754 CB THR A 47 10.422 7.172 -16.626 1.00 10.00 C ATOM 755 OG1 THR A 47 11.567 7.396 -17.411 1.00 10.00 O ATOM 756 CG2 THR A 47 10.552 5.796 -15.960 1.00 10.00 C ATOM 0 H THR A 47 7.701 6.253 -16.541 1.00 10.00 H new ATOM 0 HA THR A 47 9.275 8.450 -17.807 1.00 10.00 H new ATOM 0 HB THR A 47 10.326 7.879 -15.802 1.00 10.00 H new ATOM 0 HG1 THR A 47 12.370 7.239 -16.871 1.00 10.00 H new ATOM 0 HG21 THR A 47 11.484 5.751 -15.396 1.00 10.00 H new ATOM 0 HG22 THR A 47 9.711 5.638 -15.285 1.00 10.00 H new ATOM 0 HG23 THR A 47 10.554 5.020 -16.725 1.00 10.00 H new ATOM 764 N ASP A 48 8.274 7.119 -19.717 1.00 10.00 N ATOM 765 CA ASP A 48 7.743 6.452 -20.927 1.00 10.00 C ATOM 766 C ASP A 48 6.709 5.343 -20.616 1.00 10.00 C ATOM 767 O ASP A 48 5.709 5.201 -21.315 1.00 10.00 O ATOM 768 CB ASP A 48 8.889 5.967 -21.833 1.00 10.00 C ATOM 769 CG ASP A 48 8.417 5.698 -23.264 1.00 10.00 C ATOM 770 OD1 ASP A 48 7.969 6.677 -23.904 1.00 10.00 O ATOM 771 OD2 ASP A 48 8.539 4.535 -23.709 1.00 10.00 O ATOM 0 H ASP A 48 8.009 8.103 -19.685 1.00 10.00 H new ATOM 0 HA ASP A 48 7.181 7.203 -21.482 1.00 10.00 H new ATOM 0 HB2 ASP A 48 9.681 6.716 -21.848 1.00 10.00 H new ATOM 0 HB3 ASP A 48 9.319 5.056 -21.416 1.00 10.00 H new ATOM 776 N GLU A 49 6.883 4.652 -19.489 1.00 10.00 N ATOM 777 CA GLU A 49 5.989 3.674 -18.880 1.00 10.00 C ATOM 778 C GLU A 49 5.664 4.113 -17.435 1.00 10.00 C ATOM 779 O GLU A 49 6.432 4.850 -16.809 1.00 10.00 O ATOM 780 CB GLU A 49 6.720 2.319 -18.894 1.00 10.00 C ATOM 781 CG GLU A 49 5.824 1.083 -18.709 1.00 10.00 C ATOM 782 CD GLU A 49 6.636 -0.094 -18.154 1.00 10.00 C ATOM 783 OE1 GLU A 49 7.775 -0.335 -18.621 1.00 10.00 O ATOM 784 OE2 GLU A 49 6.226 -0.677 -17.124 1.00 10.00 O ATOM 0 H GLU A 49 7.729 4.775 -18.932 1.00 10.00 H new ATOM 0 HA GLU A 49 5.049 3.594 -19.425 1.00 10.00 H new ATOM 0 HB2 GLU A 49 7.252 2.222 -19.840 1.00 10.00 H new ATOM 0 HB3 GLU A 49 7.472 2.323 -18.105 1.00 10.00 H new ATOM 0 HG2 GLU A 49 5.005 1.319 -18.030 1.00 10.00 H new ATOM 0 HG3 GLU A 49 5.377 0.805 -19.663 1.00 10.00 H new ATOM 791 N LEU A 50 4.556 3.615 -16.875 1.00 10.00 N ATOM 792 CA LEU A 50 4.131 3.882 -15.499 1.00 10.00 C ATOM 793 C LEU A 50 4.829 2.894 -14.556 1.00 10.00 C ATOM 794 O LEU A 50 4.760 1.683 -14.764 1.00 10.00 O ATOM 795 CB LEU A 50 2.598 3.712 -15.418 1.00 10.00 C ATOM 796 CG LEU A 50 2.000 3.761 -13.994 1.00 10.00 C ATOM 797 CD1 LEU A 50 2.183 5.121 -13.316 1.00 10.00 C ATOM 798 CD2 LEU A 50 0.503 3.446 -14.046 1.00 10.00 C ATOM 0 H LEU A 50 3.916 3.001 -17.379 1.00 10.00 H new ATOM 0 HA LEU A 50 4.399 4.897 -15.204 1.00 10.00 H new ATOM 0 HB2 LEU A 50 2.131 4.494 -16.017 1.00 10.00 H new ATOM 0 HB3 LEU A 50 2.331 2.758 -15.873 1.00 10.00 H new ATOM 0 HG LEU A 50 2.539 3.017 -13.408 1.00 10.00 H new ATOM 0 HD11 LEU A 50 1.743 5.093 -12.319 1.00 10.00 H new ATOM 0 HD12 LEU A 50 3.246 5.348 -13.237 1.00 10.00 H new ATOM 0 HD13 LEU A 50 1.691 5.892 -13.909 1.00 10.00 H new ATOM 0 HD21 LEU A 50 0.088 3.482 -13.039 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -0.002 4.181 -14.673 1.00 10.00 H new ATOM 0 HD23 LEU A 50 0.355 2.450 -14.463 1.00 10.00 H new ATOM 810 N LYS A 51 5.457 3.409 -13.493 1.00 10.00 N ATOM 811 CA LYS A 51 6.140 2.618 -12.467 1.00 10.00 C ATOM 812 C LYS A 51 5.573 2.955 -11.087 1.00 10.00 C ATOM 813 O LYS A 51 5.352 4.120 -10.757 1.00 10.00 O ATOM 814 CB LYS A 51 7.657 2.887 -12.515 1.00 10.00 C ATOM 815 CG LYS A 51 8.343 2.563 -13.855 1.00 10.00 C ATOM 816 CD LYS A 51 8.244 1.082 -14.248 1.00 10.00 C ATOM 817 CE LYS A 51 8.935 0.858 -15.595 1.00 10.00 C ATOM 818 NZ LYS A 51 8.668 -0.500 -16.117 1.00 10.00 N ATOM 0 H LYS A 51 5.505 4.413 -13.319 1.00 10.00 H new ATOM 0 HA LYS A 51 5.973 1.558 -12.660 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.830 3.938 -12.282 1.00 10.00 H new ATOM 0 HB3 LYS A 51 8.137 2.303 -11.730 1.00 10.00 H new ATOM 0 HG2 LYS A 51 7.894 3.171 -14.641 1.00 10.00 H new ATOM 0 HG3 LYS A 51 9.394 2.846 -13.794 1.00 10.00 H new ATOM 0 HD2 LYS A 51 8.709 0.461 -13.482 1.00 10.00 H new ATOM 0 HD3 LYS A 51 7.198 0.782 -14.311 1.00 10.00 H new ATOM 0 HE2 LYS A 51 8.587 1.601 -16.313 1.00 10.00 H new ATOM 0 HE3 LYS A 51 10.010 1.002 -15.483 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 8.844 -0.519 -17.142 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 9.295 -1.183 -15.645 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 7.677 -0.754 -15.932 1.00 10.00 H new ATOM 832 N VAL A 52 5.350 1.916 -10.282 1.00 10.00 N ATOM 833 CA VAL A 52 4.944 2.004 -8.876 1.00 10.00 C ATOM 834 C VAL A 52 5.762 0.996 -8.071 1.00 10.00 C ATOM 835 O VAL A 52 6.020 -0.107 -8.550 1.00 10.00 O ATOM 836 CB VAL A 52 3.418 1.809 -8.720 1.00 10.00 C ATOM 837 CG1 VAL A 52 2.904 0.492 -9.321 1.00 10.00 C ATOM 838 CG2 VAL A 52 2.949 1.901 -7.259 1.00 10.00 C ATOM 0 H VAL A 52 5.451 0.953 -10.602 1.00 10.00 H new ATOM 0 HA VAL A 52 5.150 3.001 -8.486 1.00 10.00 H new ATOM 0 HB VAL A 52 2.990 2.637 -9.285 1.00 10.00 H new ATOM 0 HG11 VAL A 52 1.826 0.422 -9.175 1.00 10.00 H new ATOM 0 HG12 VAL A 52 3.129 0.467 -10.387 1.00 10.00 H new ATOM 0 HG13 VAL A 52 3.392 -0.348 -8.827 1.00 10.00 H new ATOM 0 HG21 VAL A 52 1.870 1.756 -7.214 1.00 10.00 H new ATOM 0 HG22 VAL A 52 3.444 1.130 -6.669 1.00 10.00 H new ATOM 0 HG23 VAL A 52 3.201 2.883 -6.857 1.00 10.00 H new ATOM 848 N ASP A 53 6.170 1.376 -6.861 1.00 10.00 N ATOM 849 CA ASP A 53 6.901 0.511 -5.936 1.00 10.00 C ATOM 850 C ASP A 53 6.436 0.723 -4.494 1.00 10.00 C ATOM 851 O ASP A 53 6.008 1.815 -4.114 1.00 10.00 O ATOM 852 CB ASP A 53 8.420 0.699 -6.083 1.00 10.00 C ATOM 853 CG ASP A 53 9.188 -0.305 -5.215 1.00 10.00 C ATOM 854 OD1 ASP A 53 8.670 -1.438 -5.061 1.00 10.00 O ATOM 855 OD2 ASP A 53 10.247 0.089 -4.682 1.00 10.00 O ATOM 0 H ASP A 53 5.999 2.310 -6.489 1.00 10.00 H new ATOM 0 HA ASP A 53 6.678 -0.524 -6.196 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.705 0.574 -7.128 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.693 1.715 -5.797 1.00 10.00 H new ATOM 860 N ILE A 54 6.456 -0.363 -3.721 1.00 10.00 N ATOM 861 CA ILE A 54 5.878 -0.460 -2.382 1.00 10.00 C ATOM 862 C ILE A 54 6.894 -1.104 -1.433 1.00 10.00 C ATOM 863 O ILE A 54 7.274 -2.257 -1.620 1.00 10.00 O ATOM 864 CB ILE A 54 4.539 -1.239 -2.451 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.538 -0.496 -3.374 1.00 10.00 C ATOM 866 CG2 ILE A 54 3.954 -1.428 -1.043 1.00 10.00 C ATOM 867 CD1 ILE A 54 2.124 -1.087 -3.436 1.00 10.00 C ATOM 0 H ILE A 54 6.893 -1.234 -4.023 1.00 10.00 H new ATOM 0 HA ILE A 54 5.652 0.531 -1.987 1.00 10.00 H new ATOM 0 HB ILE A 54 4.726 -2.227 -2.872 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.465 0.539 -3.041 1.00 10.00 H new ATOM 0 HG13 ILE A 54 3.948 -0.477 -4.384 1.00 10.00 H new ATOM 0 HG21 ILE A 54 3.014 -1.977 -1.110 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.658 -1.989 -0.429 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.773 -0.453 -0.590 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.509 -0.490 -4.109 1.00 10.00 H new ATOM 0 HD12 ILE A 54 2.174 -2.112 -3.803 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.683 -1.080 -2.439 1.00 10.00 H new ATOM 879 N SER A 55 7.281 -0.380 -0.381 1.00 10.00 N ATOM 880 CA SER A 55 8.075 -0.897 0.740 1.00 10.00 C ATOM 881 C SER A 55 7.300 -0.669 2.036 1.00 10.00 C ATOM 882 O SER A 55 6.830 0.442 2.282 1.00 10.00 O ATOM 883 CB SER A 55 9.432 -0.192 0.803 1.00 10.00 C ATOM 884 OG SER A 55 10.201 -0.516 -0.338 1.00 10.00 O ATOM 0 H SER A 55 7.046 0.607 -0.281 1.00 10.00 H new ATOM 0 HA SER A 55 8.254 -1.963 0.600 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.288 0.887 0.860 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.964 -0.490 1.706 1.00 10.00 H new ATOM 0 HG SER A 55 11.067 -0.059 -0.290 1.00 10.00 H new ATOM 890 N ALA A 56 7.111 -1.727 2.828 1.00 10.00 N ATOM 891 CA ALA A 56 6.479 -1.643 4.139 1.00 10.00 C ATOM 892 C ALA A 56 7.314 -2.377 5.192 1.00 10.00 C ATOM 893 O ALA A 56 7.766 -3.503 4.974 1.00 10.00 O ATOM 894 CB ALA A 56 5.053 -2.193 4.040 1.00 10.00 C ATOM 0 H ALA A 56 7.396 -2.672 2.572 1.00 10.00 H new ATOM 0 HA ALA A 56 6.424 -0.603 4.460 1.00 10.00 H new ATOM 0 HB1 ALA A 56 4.572 -2.134 5.016 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.485 -1.604 3.320 1.00 10.00 H new ATOM 0 HB3 ALA A 56 5.086 -3.232 3.714 1.00 10.00 H new ATOM 900 N GLU A 57 7.430 -1.762 6.367 1.00 10.00 N ATOM 901 CA GLU A 57 8.236 -2.219 7.487 1.00 10.00 C ATOM 902 C GLU A 57 7.376 -2.282 8.753 1.00 10.00 C ATOM 903 O GLU A 57 6.601 -1.369 9.049 1.00 10.00 O ATOM 904 CB GLU A 57 9.412 -1.258 7.728 1.00 10.00 C ATOM 905 CG GLU A 57 10.501 -1.243 6.646 1.00 10.00 C ATOM 906 CD GLU A 57 10.130 -0.460 5.370 1.00 10.00 C ATOM 907 OE1 GLU A 57 10.123 0.789 5.434 1.00 10.00 O ATOM 908 OE2 GLU A 57 9.903 -1.112 4.324 1.00 10.00 O ATOM 0 H GLU A 57 6.940 -0.891 6.569 1.00 10.00 H new ATOM 0 HA GLU A 57 8.624 -3.210 7.252 1.00 10.00 H new ATOM 0 HB2 GLU A 57 9.015 -0.248 7.830 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.877 -1.516 8.680 1.00 10.00 H new ATOM 0 HG2 GLU A 57 11.409 -0.813 7.069 1.00 10.00 H new ATOM 0 HG3 GLU A 57 10.734 -2.271 6.370 1.00 10.00 H new ATOM 915 N LEU A 58 7.559 -3.364 9.515 1.00 10.00 N ATOM 916 CA LEU A 58 6.872 -3.647 10.772 1.00 10.00 C ATOM 917 C LEU A 58 7.923 -3.663 11.873 1.00 10.00 C ATOM 918 O LEU A 58 8.831 -4.497 11.843 1.00 10.00 O ATOM 919 CB LEU A 58 6.181 -5.029 10.697 1.00 10.00 C ATOM 920 CG LEU A 58 4.730 -5.064 10.189 1.00 10.00 C ATOM 921 CD1 LEU A 58 3.741 -4.637 11.277 1.00 10.00 C ATOM 922 CD2 LEU A 58 4.513 -4.228 8.930 1.00 10.00 C ATOM 0 H LEU A 58 8.220 -4.097 9.258 1.00 10.00 H new ATOM 0 HA LEU A 58 6.112 -2.891 10.970 1.00 10.00 H new ATOM 0 HB2 LEU A 58 6.780 -5.671 10.052 1.00 10.00 H new ATOM 0 HB3 LEU A 58 6.201 -5.471 11.693 1.00 10.00 H new ATOM 0 HG LEU A 58 4.540 -6.104 9.924 1.00 10.00 H new ATOM 0 HD11 LEU A 58 2.726 -4.674 10.881 1.00 10.00 H new ATOM 0 HD12 LEU A 58 3.823 -5.312 12.129 1.00 10.00 H new ATOM 0 HD13 LEU A 58 3.969 -3.620 11.597 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.469 -4.295 8.624 1.00 10.00 H new ATOM 0 HD22 LEU A 58 4.764 -3.188 9.136 1.00 10.00 H new ATOM 0 HD23 LEU A 58 5.151 -4.603 8.130 1.00 10.00 H new ATOM 934 N TYR A 59 7.766 -2.794 12.872 1.00 10.00 N ATOM 935 CA TYR A 59 8.618 -2.796 14.048 1.00 10.00 C ATOM 936 C TYR A 59 7.750 -3.194 15.240 1.00 10.00 C ATOM 937 O TYR A 59 6.936 -2.417 15.735 1.00 10.00 O ATOM 938 CB TYR A 59 9.315 -1.434 14.163 1.00 10.00 C ATOM 939 CG TYR A 59 10.161 -1.097 12.939 1.00 10.00 C ATOM 940 CD1 TYR A 59 11.290 -1.883 12.627 1.00 10.00 C ATOM 941 CD2 TYR A 59 9.805 -0.030 12.087 1.00 10.00 C ATOM 942 CE1 TYR A 59 12.074 -1.594 11.495 1.00 10.00 C ATOM 943 CE2 TYR A 59 10.593 0.271 10.961 1.00 10.00 C ATOM 944 CZ TYR A 59 11.732 -0.505 10.664 1.00 10.00 C ATOM 945 OH TYR A 59 12.490 -0.210 9.574 1.00 10.00 O ATOM 0 H TYR A 59 7.045 -2.073 12.883 1.00 10.00 H new ATOM 0 HA TYR A 59 9.428 -3.523 13.995 1.00 10.00 H new ATOM 0 HB2 TYR A 59 8.563 -0.657 14.304 1.00 10.00 H new ATOM 0 HB3 TYR A 59 9.949 -1.429 15.050 1.00 10.00 H new ATOM 0 HD1 TYR A 59 11.555 -2.715 13.263 1.00 10.00 H new ATOM 0 HD2 TYR A 59 8.924 0.558 12.300 1.00 10.00 H new ATOM 0 HE1 TYR A 59 12.935 -2.203 11.262 1.00 10.00 H new ATOM 0 HE2 TYR A 59 10.324 1.099 10.322 1.00 10.00 H new ATOM 0 HH TYR A 59 12.112 0.568 9.114 1.00 10.00 H new ATOM 955 N LEU A 60 7.898 -4.456 15.653 1.00 10.00 N ATOM 956 CA LEU A 60 7.147 -5.085 16.737 1.00 10.00 C ATOM 957 C LEU A 60 7.789 -4.799 18.094 1.00 10.00 C ATOM 958 O LEU A 60 9.000 -4.592 18.182 1.00 10.00 O ATOM 959 CB LEU A 60 7.080 -6.607 16.494 1.00 10.00 C ATOM 960 CG LEU A 60 6.016 -7.020 15.461 1.00 10.00 C ATOM 961 CD1 LEU A 60 6.221 -8.482 15.058 1.00 10.00 C ATOM 962 CD2 LEU A 60 4.595 -6.882 16.021 1.00 10.00 C ATOM 0 H LEU A 60 8.571 -5.090 15.223 1.00 10.00 H new ATOM 0 HA LEU A 60 6.140 -4.668 16.750 1.00 10.00 H new ATOM 0 HB2 LEU A 60 8.056 -6.956 16.157 1.00 10.00 H new ATOM 0 HB3 LEU A 60 6.871 -7.108 17.439 1.00 10.00 H new ATOM 0 HG LEU A 60 6.129 -6.357 14.603 1.00 10.00 H new ATOM 0 HD11 LEU A 60 5.465 -8.767 14.327 1.00 10.00 H new ATOM 0 HD12 LEU A 60 7.212 -8.603 14.621 1.00 10.00 H new ATOM 0 HD13 LEU A 60 6.132 -9.118 15.939 1.00 10.00 H new ATOM 0 HD21 LEU A 60 3.874 -7.183 15.261 1.00 10.00 H new ATOM 0 HD22 LEU A 60 4.486 -7.520 16.898 1.00 10.00 H new ATOM 0 HD23 LEU A 60 4.414 -5.845 16.302 1.00 10.00 H new ATOM 974 N ASP A 61 6.968 -4.791 19.148 1.00 10.00 N ATOM 975 CA ASP A 61 7.495 -4.787 20.516 1.00 10.00 C ATOM 976 C ASP A 61 8.327 -6.056 20.775 1.00 10.00 C ATOM 977 O ASP A 61 8.014 -7.131 20.258 1.00 10.00 O ATOM 978 CB ASP A 61 6.350 -4.624 21.528 1.00 10.00 C ATOM 979 CG ASP A 61 6.849 -4.485 22.971 1.00 10.00 C ATOM 980 OD1 ASP A 61 8.000 -4.021 23.142 1.00 10.00 O ATOM 981 OD2 ASP A 61 6.080 -4.862 23.882 1.00 10.00 O ATOM 0 H ASP A 61 5.950 -4.787 19.083 1.00 10.00 H new ATOM 0 HA ASP A 61 8.162 -3.934 20.642 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.761 -3.745 21.266 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.685 -5.485 21.459 1.00 10.00 H new ATOM 986 N GLU A 62 9.371 -5.951 21.607 1.00 10.00 N ATOM 987 CA GLU A 62 10.293 -7.052 21.950 1.00 10.00 C ATOM 988 C GLU A 62 9.641 -8.197 22.761 1.00 10.00 C ATOM 989 O GLU A 62 10.322 -9.104 23.238 1.00 10.00 O ATOM 990 CB GLU A 62 11.565 -6.495 22.620 1.00 10.00 C ATOM 991 CG GLU A 62 11.333 -5.793 23.966 1.00 10.00 C ATOM 992 CD GLU A 62 12.664 -5.348 24.589 1.00 10.00 C ATOM 993 OE1 GLU A 62 13.283 -4.415 24.029 1.00 10.00 O ATOM 994 OE2 GLU A 62 13.058 -5.948 25.615 1.00 10.00 O ATOM 0 H GLU A 62 9.608 -5.076 22.075 1.00 10.00 H new ATOM 0 HA GLU A 62 10.578 -7.526 21.011 1.00 10.00 H new ATOM 0 HB2 GLU A 62 12.267 -7.315 22.771 1.00 10.00 H new ATOM 0 HB3 GLU A 62 12.039 -5.791 21.937 1.00 10.00 H new ATOM 0 HG2 GLU A 62 10.687 -4.927 23.822 1.00 10.00 H new ATOM 0 HG3 GLU A 62 10.815 -6.468 24.648 1.00 10.00 H new ATOM 1001 N LEU A 63 8.310 -8.163 22.877 1.00 10.00 N ATOM 1002 CA LEU A 63 7.438 -9.113 23.557 1.00 10.00 C ATOM 1003 C LEU A 63 6.291 -9.604 22.638 1.00 10.00 C ATOM 1004 O LEU A 63 5.413 -10.330 23.099 1.00 10.00 O ATOM 1005 CB LEU A 63 6.948 -8.395 24.831 1.00 10.00 C ATOM 1006 CG LEU A 63 6.255 -9.254 25.907 1.00 10.00 C ATOM 1007 CD1 LEU A 63 7.120 -10.431 26.372 1.00 10.00 C ATOM 1008 CD2 LEU A 63 5.948 -8.373 27.123 1.00 10.00 C ATOM 0 H LEU A 63 7.773 -7.402 22.460 1.00 10.00 H new ATOM 0 HA LEU A 63 7.964 -10.029 23.824 1.00 10.00 H new ATOM 0 HB2 LEU A 63 7.805 -7.905 25.292 1.00 10.00 H new ATOM 0 HB3 LEU A 63 6.255 -7.609 24.530 1.00 10.00 H new ATOM 0 HG LEU A 63 5.347 -9.661 25.462 1.00 10.00 H new ATOM 0 HD11 LEU A 63 6.582 -11.001 27.129 1.00 10.00 H new ATOM 0 HD12 LEU A 63 7.343 -11.077 25.523 1.00 10.00 H new ATOM 0 HD13 LEU A 63 8.051 -10.054 26.795 1.00 10.00 H new ATOM 0 HD21 LEU A 63 5.457 -8.971 27.891 1.00 10.00 H new ATOM 0 HD22 LEU A 63 6.877 -7.964 27.520 1.00 10.00 H new ATOM 0 HD23 LEU A 63 5.291 -7.556 26.824 1.00 10.00 H new ATOM 1020 N SER A 64 6.306 -9.239 21.344 1.00 10.00 N ATOM 1021 CA SER A 64 5.284 -9.598 20.345 1.00 10.00 C ATOM 1022 C SER A 64 5.836 -10.547 19.271 1.00 10.00 C ATOM 1023 O SER A 64 6.972 -10.394 18.824 1.00 10.00 O ATOM 1024 CB SER A 64 4.801 -8.339 19.614 1.00 10.00 C ATOM 1025 OG SER A 64 4.208 -7.382 20.464 1.00 10.00 O ATOM 0 H SER A 64 7.054 -8.667 20.952 1.00 10.00 H new ATOM 0 HA SER A 64 4.476 -10.087 20.890 1.00 10.00 H new ATOM 0 HB2 SER A 64 5.646 -7.881 19.100 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.081 -8.628 18.848 1.00 10.00 H new ATOM 0 HG SER A 64 4.084 -6.542 19.975 1.00 10.00 H new ATOM 1031 N ASP A 65 5.003 -11.474 18.782 1.00 10.00 N ATOM 1032 CA ASP A 65 5.361 -12.490 17.796 1.00 10.00 C ATOM 1033 C ASP A 65 4.179 -12.766 16.847 1.00 10.00 C ATOM 1034 O ASP A 65 3.294 -13.578 17.101 1.00 10.00 O ATOM 1035 CB ASP A 65 5.879 -13.760 18.507 1.00 10.00 C ATOM 1036 CG ASP A 65 4.907 -14.450 19.484 1.00 10.00 C ATOM 1037 OD1 ASP A 65 4.197 -13.740 20.235 1.00 10.00 O ATOM 1038 OD2 ASP A 65 4.947 -15.701 19.521 1.00 10.00 O ATOM 0 H ASP A 65 4.028 -11.536 19.075 1.00 10.00 H new ATOM 0 HA ASP A 65 6.175 -12.123 17.171 1.00 10.00 H new ATOM 0 HB2 ASP A 65 6.166 -14.484 17.744 1.00 10.00 H new ATOM 0 HB3 ASP A 65 6.784 -13.498 19.055 1.00 10.00 H new ATOM 1043 N ALA A 66 4.204 -12.064 15.713 1.00 10.00 N ATOM 1044 CA ALA A 66 3.275 -12.214 14.589 1.00 10.00 C ATOM 1045 C ALA A 66 3.721 -13.309 13.587 1.00 10.00 C ATOM 1046 O ALA A 66 4.668 -14.055 13.840 1.00 10.00 O ATOM 1047 CB ALA A 66 3.139 -10.836 13.922 1.00 10.00 C ATOM 0 H ALA A 66 4.904 -11.342 15.544 1.00 10.00 H new ATOM 0 HA ALA A 66 2.306 -12.554 14.954 1.00 10.00 H new ATOM 0 HB1 ALA A 66 2.453 -10.907 13.078 1.00 10.00 H new ATOM 0 HB2 ALA A 66 2.752 -10.118 14.645 1.00 10.00 H new ATOM 0 HB3 ALA A 66 4.116 -10.504 13.569 1.00 10.00 H new ATOM 1053 N ASP A 67 3.086 -13.371 12.406 1.00 10.00 N ATOM 1054 CA ASP A 67 3.375 -14.404 11.403 1.00 10.00 C ATOM 1055 C ASP A 67 4.569 -13.974 10.520 1.00 10.00 C ATOM 1056 O ASP A 67 4.677 -12.788 10.180 1.00 10.00 O ATOM 1057 CB ASP A 67 2.174 -14.600 10.451 1.00 10.00 C ATOM 1058 CG ASP A 67 0.905 -15.182 11.082 1.00 10.00 C ATOM 1059 OD1 ASP A 67 1.018 -15.883 12.107 1.00 10.00 O ATOM 1060 OD2 ASP A 67 -0.181 -14.937 10.497 1.00 10.00 O ATOM 0 H ASP A 67 2.363 -12.710 12.122 1.00 10.00 H new ATOM 0 HA ASP A 67 3.592 -15.324 11.946 1.00 10.00 H new ATOM 0 HB2 ASP A 67 1.926 -13.636 10.008 1.00 10.00 H new ATOM 0 HB3 ASP A 67 2.484 -15.255 9.637 1.00 10.00 H new ATOM 1065 N PRO A 68 5.424 -14.922 10.067 1.00 10.00 N ATOM 1066 CA PRO A 68 6.590 -14.687 9.198 1.00 10.00 C ATOM 1067 C PRO A 68 6.197 -14.356 7.738 1.00 10.00 C ATOM 1068 O PRO A 68 6.688 -14.947 6.779 1.00 10.00 O ATOM 1069 CB PRO A 68 7.450 -15.950 9.345 1.00 10.00 C ATOM 1070 CG PRO A 68 6.409 -17.045 9.559 1.00 10.00 C ATOM 1071 CD PRO A 68 5.357 -16.340 10.411 1.00 10.00 C ATOM 0 HA PRO A 68 7.150 -13.800 9.495 1.00 10.00 H new ATOM 0 HB2 PRO A 68 8.054 -16.134 8.456 1.00 10.00 H new ATOM 0 HB3 PRO A 68 8.138 -15.875 10.187 1.00 10.00 H new ATOM 0 HG2 PRO A 68 5.995 -17.401 8.616 1.00 10.00 H new ATOM 0 HG3 PRO A 68 6.830 -17.911 10.069 1.00 10.00 H new ATOM 0 HD2 PRO A 68 4.363 -16.741 10.210 1.00 10.00 H new ATOM 0 HD3 PRO A 68 5.553 -16.491 11.473 1.00 10.00 H new ATOM 1079 N GLY A 69 5.271 -13.409 7.599 1.00 10.00 N ATOM 1080 CA GLY A 69 4.647 -12.946 6.360 1.00 10.00 C ATOM 1081 C GLY A 69 3.570 -11.861 6.547 1.00 10.00 C ATOM 1082 O GLY A 69 2.943 -11.480 5.560 1.00 10.00 O ATOM 0 H GLY A 69 4.910 -12.907 8.410 1.00 10.00 H new ATOM 0 HA2 GLY A 69 5.424 -12.558 5.701 1.00 10.00 H new ATOM 0 HA3 GLY A 69 4.198 -13.801 5.854 1.00 10.00 H new ATOM 1086 N ILE A 70 3.351 -11.335 7.770 1.00 10.00 N ATOM 1087 CA ILE A 70 2.266 -10.387 8.083 1.00 10.00 C ATOM 1088 C ILE A 70 2.227 -9.171 7.139 1.00 10.00 C ATOM 1089 O ILE A 70 1.157 -8.730 6.723 1.00 10.00 O ATOM 1090 CB ILE A 70 2.351 -9.985 9.585 1.00 10.00 C ATOM 1091 CG1 ILE A 70 0.956 -9.869 10.215 1.00 10.00 C ATOM 1092 CG2 ILE A 70 3.108 -8.680 9.892 1.00 10.00 C ATOM 1093 CD1 ILE A 70 0.419 -11.243 10.615 1.00 10.00 C ATOM 0 H ILE A 70 3.932 -11.561 8.577 1.00 10.00 H new ATOM 0 HA ILE A 70 1.315 -10.890 7.910 1.00 10.00 H new ATOM 0 HB ILE A 70 2.929 -10.800 10.020 1.00 10.00 H new ATOM 0 HG12 ILE A 70 1.002 -9.223 11.092 1.00 10.00 H new ATOM 0 HG13 ILE A 70 0.272 -9.399 9.508 1.00 10.00 H new ATOM 0 HG21 ILE A 70 3.103 -8.501 10.967 1.00 10.00 H new ATOM 0 HG22 ILE A 70 4.137 -8.766 9.543 1.00 10.00 H new ATOM 0 HG23 ILE A 70 2.620 -7.848 9.383 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -0.570 -11.132 11.059 1.00 10.00 H new ATOM 0 HD12 ILE A 70 0.351 -11.878 9.732 1.00 10.00 H new ATOM 0 HD13 ILE A 70 1.093 -11.700 11.340 1.00 10.00 H new ATOM 1105 N VAL A 71 3.410 -8.649 6.792 1.00 10.00 N ATOM 1106 CA VAL A 71 3.606 -7.528 5.869 1.00 10.00 C ATOM 1107 C VAL A 71 3.680 -7.944 4.401 1.00 10.00 C ATOM 1108 O VAL A 71 3.258 -7.175 3.541 1.00 10.00 O ATOM 1109 CB VAL A 71 4.842 -6.725 6.296 1.00 10.00 C ATOM 1110 CG1 VAL A 71 6.168 -7.495 6.190 1.00 10.00 C ATOM 1111 CG2 VAL A 71 4.957 -5.406 5.529 1.00 10.00 C ATOM 0 H VAL A 71 4.289 -9.011 7.161 1.00 10.00 H new ATOM 0 HA VAL A 71 2.720 -6.896 5.934 1.00 10.00 H new ATOM 0 HB VAL A 71 4.677 -6.523 7.354 1.00 10.00 H new ATOM 0 HG11 VAL A 71 6.988 -6.853 6.511 1.00 10.00 H new ATOM 0 HG12 VAL A 71 6.128 -8.378 6.827 1.00 10.00 H new ATOM 0 HG13 VAL A 71 6.330 -7.801 5.156 1.00 10.00 H new ATOM 0 HG21 VAL A 71 5.845 -4.868 5.861 1.00 10.00 H new ATOM 0 HG22 VAL A 71 5.035 -5.612 4.461 1.00 10.00 H new ATOM 0 HG23 VAL A 71 4.073 -4.797 5.717 1.00 10.00 H new ATOM 1121 N ASP A 72 4.162 -9.157 4.107 1.00 10.00 N ATOM 1122 CA ASP A 72 4.182 -9.702 2.748 1.00 10.00 C ATOM 1123 C ASP A 72 2.750 -9.786 2.208 1.00 10.00 C ATOM 1124 O ASP A 72 2.469 -9.285 1.119 1.00 10.00 O ATOM 1125 CB ASP A 72 4.879 -11.070 2.761 1.00 10.00 C ATOM 1126 CG ASP A 72 5.106 -11.608 1.348 1.00 10.00 C ATOM 1127 OD1 ASP A 72 5.945 -11.006 0.643 1.00 10.00 O ATOM 1128 OD2 ASP A 72 4.457 -12.621 1.006 1.00 10.00 O ATOM 0 H ASP A 72 4.550 -9.789 4.808 1.00 10.00 H new ATOM 0 HA ASP A 72 4.745 -9.048 2.082 1.00 10.00 H new ATOM 0 HB2 ASP A 72 5.836 -10.985 3.275 1.00 10.00 H new ATOM 0 HB3 ASP A 72 4.275 -11.780 3.327 1.00 10.00 H new ATOM 1133 N GLU A 73 1.821 -10.276 3.044 1.00 10.00 N ATOM 1134 CA GLU A 73 0.391 -10.242 2.747 1.00 10.00 C ATOM 1135 C GLU A 73 -0.155 -8.808 2.651 1.00 10.00 C ATOM 1136 O GLU A 73 -0.987 -8.558 1.785 1.00 10.00 O ATOM 1137 CB GLU A 73 -0.410 -10.978 3.826 1.00 10.00 C ATOM 1138 CG GLU A 73 -0.238 -12.500 3.892 1.00 10.00 C ATOM 1139 CD GLU A 73 -1.077 -13.091 5.039 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -2.177 -12.564 5.331 1.00 10.00 O ATOM 1141 OE2 GLU A 73 -0.619 -14.049 5.699 1.00 10.00 O ATOM 0 H GLU A 73 2.045 -10.705 3.942 1.00 10.00 H new ATOM 0 HA GLU A 73 0.276 -10.733 1.781 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -0.137 -10.562 4.796 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -1.467 -10.761 3.673 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -0.541 -12.947 2.945 1.00 10.00 H new ATOM 0 HG3 GLU A 73 0.814 -12.746 4.039 1.00 10.00 H new ATOM 1148 N ALA A 74 0.291 -7.853 3.487 1.00 10.00 N ATOM 1149 CA ALA A 74 -0.190 -6.469 3.396 1.00 10.00 C ATOM 1150 C ALA A 74 0.208 -5.813 2.062 1.00 10.00 C ATOM 1151 O ALA A 74 -0.606 -5.151 1.413 1.00 10.00 O ATOM 1152 CB ALA A 74 0.345 -5.655 4.583 1.00 10.00 C ATOM 0 H ALA A 74 0.977 -8.015 4.225 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.279 -6.485 3.433 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.014 -4.628 4.512 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -0.005 -6.098 5.515 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.435 -5.660 4.566 1.00 10.00 H new ATOM 1158 N VAL A 75 1.459 -6.031 1.647 1.00 10.00 N ATOM 1159 CA VAL A 75 2.035 -5.521 0.401 1.00 10.00 C ATOM 1160 C VAL A 75 1.393 -6.194 -0.824 1.00 10.00 C ATOM 1161 O VAL A 75 0.928 -5.495 -1.722 1.00 10.00 O ATOM 1162 CB VAL A 75 3.566 -5.686 0.484 1.00 10.00 C ATOM 1163 CG1 VAL A 75 4.260 -5.465 -0.854 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.156 -4.687 1.491 1.00 10.00 C ATOM 0 H VAL A 75 2.121 -6.587 2.189 1.00 10.00 H new ATOM 0 HA VAL A 75 1.819 -4.460 0.272 1.00 10.00 H new ATOM 0 HB VAL A 75 3.741 -6.715 0.799 1.00 10.00 H new ATOM 0 HG11 VAL A 75 5.335 -5.595 -0.732 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.888 -6.187 -1.581 1.00 10.00 H new ATOM 0 HG13 VAL A 75 4.054 -4.455 -1.208 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.237 -4.815 1.539 1.00 10.00 H new ATOM 0 HG22 VAL A 75 3.925 -3.670 1.173 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.725 -4.866 2.476 1.00 10.00 H new ATOM 1174 N ASP A 76 1.241 -7.525 -0.826 1.00 10.00 N ATOM 1175 CA ASP A 76 0.479 -8.290 -1.824 1.00 10.00 C ATOM 1176 C ASP A 76 -0.990 -7.850 -1.893 1.00 10.00 C ATOM 1177 O ASP A 76 -1.520 -7.660 -2.989 1.00 10.00 O ATOM 1178 CB ASP A 76 0.583 -9.781 -1.453 1.00 10.00 C ATOM 1179 CG ASP A 76 -0.476 -10.653 -2.125 1.00 10.00 C ATOM 1180 OD1 ASP A 76 -0.530 -10.709 -3.372 1.00 10.00 O ATOM 1181 OD2 ASP A 76 -1.304 -11.239 -1.394 1.00 10.00 O ATOM 0 H ASP A 76 1.659 -8.119 -0.110 1.00 10.00 H new ATOM 0 HA ASP A 76 0.899 -8.108 -2.813 1.00 10.00 H new ATOM 0 HB2 ASP A 76 1.572 -10.147 -1.729 1.00 10.00 H new ATOM 0 HB3 ASP A 76 0.495 -9.885 -0.372 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.638 -7.609 -0.750 1.00 10.00 N ATOM 1187 CA ALA A 77 -3.006 -7.102 -0.724 1.00 10.00 C ATOM 1188 C ALA A 77 -3.089 -5.711 -1.366 1.00 10.00 C ATOM 1189 O ALA A 77 -3.982 -5.478 -2.180 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.528 -7.082 0.716 1.00 10.00 C ATOM 0 H ALA A 77 -1.231 -7.759 0.173 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.638 -7.769 -1.311 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.550 -6.702 0.727 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.512 -8.093 1.123 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.894 -6.436 1.324 1.00 10.00 H new ATOM 1196 N ALA A 78 -2.140 -4.808 -1.076 1.00 10.00 N ATOM 1197 CA ALA A 78 -2.049 -3.525 -1.769 1.00 10.00 C ATOM 1198 C ALA A 78 -1.796 -3.690 -3.275 1.00 10.00 C ATOM 1199 O ALA A 78 -2.467 -3.021 -4.058 1.00 10.00 O ATOM 1200 CB ALA A 78 -0.986 -2.652 -1.094 1.00 10.00 C ATOM 0 H ALA A 78 -1.425 -4.949 -0.363 1.00 10.00 H new ATOM 0 HA ALA A 78 -3.013 -3.022 -1.690 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.919 -1.695 -1.612 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.261 -2.483 -0.053 1.00 10.00 H new ATOM 0 HB3 ALA A 78 -0.021 -3.156 -1.137 1.00 10.00 H new ATOM 1206 N TYR A 79 -0.906 -4.599 -3.704 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.661 -4.809 -5.134 1.00 10.00 C ATOM 1208 C TYR A 79 -1.881 -5.395 -5.870 1.00 10.00 C ATOM 1209 O TYR A 79 -2.264 -4.871 -6.918 1.00 10.00 O ATOM 1210 CB TYR A 79 0.506 -5.798 -5.309 1.00 10.00 C ATOM 1211 CG TYR A 79 1.910 -5.278 -5.061 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.410 -4.226 -5.857 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.761 -5.936 -4.146 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.757 -3.827 -5.758 1.00 10.00 C ATOM 1215 CE2 TYR A 79 4.126 -5.582 -4.105 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.625 -4.523 -4.890 1.00 10.00 C ATOM 1217 OH TYR A 79 5.944 -4.196 -4.804 1.00 10.00 O ATOM 0 H TYR A 79 -0.351 -5.192 -3.087 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.437 -3.831 -5.561 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.336 -6.640 -4.638 1.00 10.00 H new ATOM 0 HB3 TYR A 79 0.467 -6.188 -6.326 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.753 -3.721 -6.550 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.373 -6.699 -3.487 1.00 10.00 H new ATOM 0 HE1 TYR A 79 4.123 -2.995 -6.342 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.799 -6.131 -3.462 1.00 10.00 H new ATOM 0 HH TYR A 79 6.385 -4.782 -4.154 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.569 -6.391 -5.292 1.00 10.00 N ATOM 1228 CA ARG A 80 -3.779 -6.977 -5.895 1.00 10.00 C ATOM 1229 C ARG A 80 -4.989 -6.040 -5.805 1.00 10.00 C ATOM 1230 O ARG A 80 -5.840 -6.027 -6.705 1.00 10.00 O ATOM 1231 CB ARG A 80 -4.033 -8.386 -5.334 1.00 10.00 C ATOM 1232 CG ARG A 80 -2.923 -9.340 -5.820 1.00 10.00 C ATOM 1233 CD ARG A 80 -3.226 -10.819 -5.572 1.00 10.00 C ATOM 1234 NE ARG A 80 -3.098 -11.177 -4.150 1.00 10.00 N ATOM 1235 CZ ARG A 80 -3.992 -11.766 -3.369 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -5.190 -12.095 -3.799 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -3.701 -12.048 -2.126 1.00 10.00 N ATOM 0 H ARG A 80 -2.306 -6.811 -4.400 1.00 10.00 H new ATOM 0 HA ARG A 80 -3.608 -7.096 -6.965 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -4.052 -8.357 -4.245 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -5.008 -8.749 -5.660 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -2.766 -9.185 -6.887 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -1.990 -9.081 -5.320 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -4.236 -11.044 -5.913 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -2.546 -11.432 -6.163 1.00 10.00 H new ATOM 0 HE ARG A 80 -2.208 -10.942 -3.710 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -5.458 -11.898 -4.763 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -5.852 -12.547 -3.168 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -2.781 -11.815 -1.752 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -4.394 -12.501 -1.530 1.00 10.00 H new ATOM 1251 N SER A 81 -5.053 -5.207 -4.759 1.00 10.00 N ATOM 1252 CA SER A 81 -6.017 -4.111 -4.677 1.00 10.00 C ATOM 1253 C SER A 81 -5.737 -3.065 -5.761 1.00 10.00 C ATOM 1254 O SER A 81 -6.679 -2.626 -6.412 1.00 10.00 O ATOM 1255 CB SER A 81 -5.990 -3.473 -3.286 1.00 10.00 C ATOM 1256 OG SER A 81 -7.031 -2.530 -3.169 1.00 10.00 O ATOM 0 H SER A 81 -4.438 -5.276 -3.949 1.00 10.00 H new ATOM 0 HA SER A 81 -7.014 -4.517 -4.845 1.00 10.00 H new ATOM 0 HB2 SER A 81 -6.097 -4.243 -2.522 1.00 10.00 H new ATOM 0 HB3 SER A 81 -5.028 -2.988 -3.118 1.00 10.00 H new ATOM 0 HG SER A 81 -6.672 -1.628 -3.301 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.466 -2.729 -6.031 1.00 10.00 N ATOM 1263 CA LEU A 82 -4.094 -1.824 -7.118 1.00 10.00 C ATOM 1264 C LEU A 82 -4.455 -2.378 -8.497 1.00 10.00 C ATOM 1265 O LEU A 82 -5.013 -1.639 -9.302 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.596 -1.494 -7.051 1.00 10.00 C ATOM 1267 CG LEU A 82 -2.160 -0.351 -7.992 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -2.901 0.970 -7.746 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -0.659 -0.109 -7.826 1.00 10.00 C ATOM 0 H LEU A 82 -3.670 -3.080 -5.498 1.00 10.00 H new ATOM 0 HA LEU A 82 -4.673 -0.910 -6.981 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.340 -1.224 -6.026 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -2.026 -2.390 -7.297 1.00 10.00 H new ATOM 0 HG LEU A 82 -2.409 -0.672 -9.004 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -2.541 1.725 -8.445 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -3.971 0.820 -7.893 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -2.719 1.305 -6.725 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -0.345 0.698 -8.488 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -0.447 0.167 -6.793 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -0.114 -1.019 -8.078 1.00 10.00 H new ATOM 1281 N GLU A 83 -4.189 -3.661 -8.771 1.00 10.00 N ATOM 1282 CA GLU A 83 -4.627 -4.289 -10.028 1.00 10.00 C ATOM 1283 C GLU A 83 -6.155 -4.231 -10.172 1.00 10.00 C ATOM 1284 O GLU A 83 -6.661 -3.873 -11.236 1.00 10.00 O ATOM 1285 CB GLU A 83 -4.170 -5.756 -10.073 1.00 10.00 C ATOM 1286 CG GLU A 83 -2.653 -5.915 -10.242 1.00 10.00 C ATOM 1287 CD GLU A 83 -2.253 -7.392 -10.166 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -2.432 -7.980 -9.076 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -1.784 -7.920 -11.198 1.00 10.00 O ATOM 0 H GLU A 83 -3.676 -4.283 -8.145 1.00 10.00 H new ATOM 0 HA GLU A 83 -4.176 -3.737 -10.852 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -4.480 -6.254 -9.155 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -4.675 -6.261 -10.896 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -2.343 -5.498 -11.200 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -2.134 -5.352 -9.466 1.00 10.00 H new ATOM 1296 N SER A 84 -6.878 -4.478 -9.074 1.00 10.00 N ATOM 1297 CA SER A 84 -8.342 -4.429 -9.030 1.00 10.00 C ATOM 1298 C SER A 84 -8.880 -3.003 -9.211 1.00 10.00 C ATOM 1299 O SER A 84 -9.877 -2.788 -9.895 1.00 10.00 O ATOM 1300 CB SER A 84 -8.845 -5.008 -7.701 1.00 10.00 C ATOM 1301 OG SER A 84 -8.299 -6.291 -7.427 1.00 10.00 O ATOM 0 H SER A 84 -6.455 -4.721 -8.178 1.00 10.00 H new ATOM 0 HA SER A 84 -8.713 -5.029 -9.861 1.00 10.00 H new ATOM 0 HB2 SER A 84 -8.588 -4.326 -6.890 1.00 10.00 H new ATOM 0 HB3 SER A 84 -9.933 -5.077 -7.726 1.00 10.00 H new ATOM 0 HG SER A 84 -7.459 -6.190 -6.932 1.00 10.00 H new ATOM 1307 N PHE A 85 -8.198 -2.013 -8.628 1.00 10.00 N ATOM 1308 CA PHE A 85 -8.476 -0.588 -8.791 1.00 10.00 C ATOM 1309 C PHE A 85 -8.203 -0.134 -10.231 1.00 10.00 C ATOM 1310 O PHE A 85 -9.022 0.576 -10.810 1.00 10.00 O ATOM 1311 CB PHE A 85 -7.595 0.156 -7.770 1.00 10.00 C ATOM 1312 CG PHE A 85 -7.597 1.674 -7.783 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -6.885 2.375 -8.777 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -8.198 2.385 -6.727 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -6.775 3.776 -8.714 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -8.085 3.785 -6.660 1.00 10.00 C ATOM 1317 CZ PHE A 85 -7.371 4.481 -7.652 1.00 10.00 C ATOM 0 H PHE A 85 -7.409 -2.191 -8.007 1.00 10.00 H new ATOM 0 HA PHE A 85 -9.528 -0.368 -8.608 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -7.897 -0.168 -6.774 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -6.567 -0.176 -7.915 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -6.422 1.835 -9.590 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -8.748 1.853 -5.965 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -6.233 4.310 -9.480 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -8.546 4.326 -5.847 1.00 10.00 H new ATOM 0 HZ PHE A 85 -7.280 5.556 -7.599 1.00 10.00 H new ATOM 1327 N LEU A 86 -7.102 -0.586 -10.850 1.00 10.00 N ATOM 1328 CA LEU A 86 -6.746 -0.202 -12.219 1.00 10.00 C ATOM 1329 C LEU A 86 -7.650 -0.875 -13.256 1.00 10.00 C ATOM 1330 O LEU A 86 -8.011 -0.234 -14.243 1.00 10.00 O ATOM 1331 CB LEU A 86 -5.260 -0.480 -12.488 1.00 10.00 C ATOM 1332 CG LEU A 86 -4.596 0.612 -13.347 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -4.463 1.949 -12.596 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -3.197 0.157 -13.762 1.00 10.00 C ATOM 0 H LEU A 86 -6.437 -1.226 -10.415 1.00 10.00 H new ATOM 0 HA LEU A 86 -6.910 0.871 -12.318 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -4.732 -0.560 -11.538 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -5.160 -1.442 -12.990 1.00 10.00 H new ATOM 0 HG LEU A 86 -5.236 0.767 -14.216 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -3.989 2.685 -13.245 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -5.452 2.304 -12.307 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -3.854 1.806 -11.704 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -2.728 0.931 -14.370 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -2.593 -0.021 -12.872 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -3.271 -0.764 -14.340 1.00 10.00 H new