USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=16 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 21 THR OG1 : rot 60:sc= 1.35 USER MOD Set 1.2: A 81 SER OG : rot -85:sc= 1.41 USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 20 ASN : amide:sc= 1.15 K(o=1.1,f=-0.026) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.216 USER MOD Single : A 15 SER OG : rot 93:sc= 1.1 USER MOD Single : A 19 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.02) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.259 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 98:sc= 0.947 USER MOD Single : A 51 LYS NZ :NH3+ 179:sc= -0.581! (180deg=-0.656!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 138:sc= 0.939 USER MOD Single : A 64 SER OG : rot 154:sc= 0.762 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 76:sc= 0.0353 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -3.746 12.423 -14.490 1.00 10.00 N ATOM 95 CA LEU A 6 -2.785 11.928 -13.509 1.00 10.00 C ATOM 96 C LEU A 6 -1.722 13.004 -13.239 1.00 10.00 C ATOM 97 O LEU A 6 -0.932 13.340 -14.121 1.00 10.00 O ATOM 98 CB LEU A 6 -2.140 10.619 -14.003 1.00 10.00 C ATOM 99 CG LEU A 6 -3.095 9.411 -14.099 1.00 10.00 C ATOM 100 CD1 LEU A 6 -2.307 8.179 -14.552 1.00 10.00 C ATOM 101 CD2 LEU A 6 -3.783 9.082 -12.767 1.00 10.00 C ATOM 0 HA LEU A 6 -3.302 11.711 -12.574 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -1.704 10.796 -14.986 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -1.320 10.361 -13.333 1.00 10.00 H new ATOM 0 HG LEU A 6 -3.871 9.678 -14.817 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -2.978 7.323 -14.621 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -1.862 8.371 -15.528 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -1.519 7.965 -13.830 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -4.441 8.224 -12.900 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -3.029 8.848 -12.016 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -4.368 9.941 -12.438 1.00 10.00 H new ATOM 113 N THR A 7 -1.721 13.554 -12.023 1.00 10.00 N ATOM 114 CA THR A 7 -0.716 14.506 -11.535 1.00 10.00 C ATOM 115 C THR A 7 -0.508 14.300 -10.030 1.00 10.00 C ATOM 116 O THR A 7 -1.054 13.357 -9.458 1.00 10.00 O ATOM 117 CB THR A 7 -1.125 15.945 -11.906 1.00 10.00 C ATOM 118 OG1 THR A 7 -0.064 16.837 -11.642 1.00 10.00 O ATOM 119 CG2 THR A 7 -2.367 16.463 -11.177 1.00 10.00 C ATOM 0 H THR A 7 -2.439 13.345 -11.329 1.00 10.00 H new ATOM 0 HA THR A 7 0.245 14.328 -12.017 1.00 10.00 H new ATOM 0 HB THR A 7 -1.367 15.902 -12.968 1.00 10.00 H new ATOM 0 HG1 THR A 7 -0.334 17.748 -11.883 1.00 10.00 H new ATOM 0 HG21 THR A 7 -2.580 17.482 -11.500 1.00 10.00 H new ATOM 0 HG22 THR A 7 -3.218 15.823 -11.409 1.00 10.00 H new ATOM 0 HG23 THR A 7 -2.188 16.453 -10.102 1.00 10.00 H new ATOM 127 N GLU A 8 0.277 15.168 -9.388 1.00 10.00 N ATOM 128 CA GLU A 8 0.718 15.043 -7.994 1.00 10.00 C ATOM 129 C GLU A 8 -0.423 14.705 -7.022 1.00 10.00 C ATOM 130 O GLU A 8 -0.243 13.862 -6.152 1.00 10.00 O ATOM 131 CB GLU A 8 1.421 16.337 -7.541 1.00 10.00 C ATOM 132 CG GLU A 8 2.540 16.835 -8.470 1.00 10.00 C ATOM 133 CD GLU A 8 3.631 15.782 -8.687 1.00 10.00 C ATOM 134 OE1 GLU A 8 3.439 14.947 -9.600 1.00 10.00 O ATOM 135 OE2 GLU A 8 4.629 15.824 -7.937 1.00 10.00 O ATOM 0 H GLU A 8 0.637 16.009 -9.840 1.00 10.00 H new ATOM 0 HA GLU A 8 1.415 14.205 -7.966 1.00 10.00 H new ATOM 0 HB2 GLU A 8 0.673 17.124 -7.446 1.00 10.00 H new ATOM 0 HB3 GLU A 8 1.841 16.175 -6.548 1.00 10.00 H new ATOM 0 HG2 GLU A 8 2.112 17.114 -9.433 1.00 10.00 H new ATOM 0 HG3 GLU A 8 2.986 17.735 -8.047 1.00 10.00 H new ATOM 142 N GLY A 9 -1.608 15.304 -7.207 1.00 10.00 N ATOM 143 CA GLY A 9 -2.797 15.025 -6.399 1.00 10.00 C ATOM 144 C GLY A 9 -3.301 13.587 -6.541 1.00 10.00 C ATOM 145 O GLY A 9 -3.460 12.878 -5.553 1.00 10.00 O ATOM 0 H GLY A 9 -1.766 16.004 -7.932 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -2.570 15.221 -5.351 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -3.593 15.712 -6.687 1.00 10.00 H new ATOM 149 N ASP A 10 -3.533 13.145 -7.776 1.00 10.00 N ATOM 150 CA ASP A 10 -4.009 11.805 -8.116 1.00 10.00 C ATOM 151 C ASP A 10 -2.976 10.722 -7.750 1.00 10.00 C ATOM 152 O ASP A 10 -3.340 9.670 -7.224 1.00 10.00 O ATOM 153 CB ASP A 10 -4.340 11.779 -9.622 1.00 10.00 C ATOM 154 CG ASP A 10 -5.216 12.967 -10.050 1.00 10.00 C ATOM 155 OD1 ASP A 10 -4.666 14.096 -10.069 1.00 10.00 O ATOM 156 OD2 ASP A 10 -6.416 12.745 -10.326 1.00 10.00 O ATOM 0 H ASP A 10 -3.389 13.732 -8.598 1.00 10.00 H new ATOM 0 HA ASP A 10 -4.904 11.580 -7.536 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -3.413 11.790 -10.195 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -4.853 10.848 -9.862 1.00 10.00 H new ATOM 161 N LEU A 11 -1.683 10.999 -7.971 1.00 10.00 N ATOM 162 CA LEU A 11 -0.575 10.156 -7.514 1.00 10.00 C ATOM 163 C LEU A 11 -0.441 10.107 -5.984 1.00 10.00 C ATOM 164 O LEU A 11 -0.195 9.022 -5.449 1.00 10.00 O ATOM 165 CB LEU A 11 0.742 10.583 -8.192 1.00 10.00 C ATOM 166 CG LEU A 11 0.957 10.052 -9.627 1.00 10.00 C ATOM 167 CD1 LEU A 11 -0.187 10.243 -10.627 1.00 10.00 C ATOM 168 CD2 LEU A 11 2.220 10.684 -10.221 1.00 10.00 C ATOM 0 H LEU A 11 -1.376 11.828 -8.480 1.00 10.00 H new ATOM 0 HA LEU A 11 -0.806 9.135 -7.818 1.00 10.00 H new ATOM 0 HB2 LEU A 11 0.780 11.672 -8.217 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.574 10.249 -7.572 1.00 10.00 H new ATOM 0 HG LEU A 11 1.033 8.973 -9.490 1.00 10.00 H new ATOM 0 HD11 LEU A 11 0.099 9.824 -11.592 1.00 10.00 H new ATOM 0 HD12 LEU A 11 -1.079 9.734 -10.261 1.00 10.00 H new ATOM 0 HD13 LEU A 11 -0.397 11.307 -10.741 1.00 10.00 H new ATOM 0 HD21 LEU A 11 2.372 10.310 -11.233 1.00 10.00 H new ATOM 0 HD22 LEU A 11 2.106 11.768 -10.248 1.00 10.00 H new ATOM 0 HD23 LEU A 11 3.081 10.425 -9.605 1.00 10.00 H new ATOM 180 N ASP A 12 -0.636 11.222 -5.270 1.00 10.00 N ATOM 181 CA ASP A 12 -0.716 11.222 -3.806 1.00 10.00 C ATOM 182 C ASP A 12 -1.945 10.449 -3.312 1.00 10.00 C ATOM 183 O ASP A 12 -1.809 9.636 -2.405 1.00 10.00 O ATOM 184 CB ASP A 12 -0.705 12.658 -3.263 1.00 10.00 C ATOM 185 CG ASP A 12 -0.669 12.687 -1.733 1.00 10.00 C ATOM 186 OD1 ASP A 12 0.319 12.157 -1.177 1.00 10.00 O ATOM 187 OD2 ASP A 12 -1.618 13.248 -1.141 1.00 10.00 O ATOM 0 H ASP A 12 -0.742 12.146 -5.689 1.00 10.00 H new ATOM 0 HA ASP A 12 0.165 10.708 -3.422 1.00 10.00 H new ATOM 0 HB2 ASP A 12 0.162 13.189 -3.657 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -1.590 13.187 -3.616 1.00 10.00 H new ATOM 192 N GLU A 13 -3.119 10.607 -3.938 1.00 10.00 N ATOM 193 CA GLU A 13 -4.321 9.841 -3.587 1.00 10.00 C ATOM 194 C GLU A 13 -4.127 8.331 -3.811 1.00 10.00 C ATOM 195 O GLU A 13 -4.475 7.532 -2.944 1.00 10.00 O ATOM 196 CB GLU A 13 -5.531 10.376 -4.373 1.00 10.00 C ATOM 197 CG GLU A 13 -6.878 9.786 -3.923 1.00 10.00 C ATOM 198 CD GLU A 13 -7.312 10.289 -2.537 1.00 10.00 C ATOM 199 OE1 GLU A 13 -6.726 9.822 -1.532 1.00 10.00 O ATOM 200 OE2 GLU A 13 -8.232 11.136 -2.500 1.00 10.00 O ATOM 0 H GLU A 13 -3.261 11.269 -4.701 1.00 10.00 H new ATOM 0 HA GLU A 13 -4.510 9.974 -2.522 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -5.568 11.460 -4.270 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -5.387 10.161 -5.432 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -7.645 10.042 -4.654 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -6.806 8.699 -3.904 1.00 10.00 H new ATOM 207 N ILE A 14 -3.493 7.920 -4.919 1.00 10.00 N ATOM 208 CA ILE A 14 -3.148 6.508 -5.158 1.00 10.00 C ATOM 209 C ILE A 14 -2.127 6.021 -4.118 1.00 10.00 C ATOM 210 O ILE A 14 -2.285 4.938 -3.554 1.00 10.00 O ATOM 211 CB ILE A 14 -2.632 6.332 -6.607 1.00 10.00 C ATOM 212 CG1 ILE A 14 -3.835 6.399 -7.574 1.00 10.00 C ATOM 213 CG2 ILE A 14 -1.870 5.005 -6.804 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.474 6.564 -9.055 1.00 10.00 C ATOM 0 H ILE A 14 -3.207 8.549 -5.669 1.00 10.00 H new ATOM 0 HA ILE A 14 -4.040 5.891 -5.045 1.00 10.00 H new ATOM 0 HB ILE A 14 -1.926 7.136 -6.815 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.424 5.489 -7.459 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.473 7.231 -7.277 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -1.529 4.931 -7.837 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.010 4.977 -6.135 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -2.532 4.169 -6.579 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.387 6.600 -9.650 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -2.914 7.489 -9.192 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -2.864 5.720 -9.377 1.00 10.00 H new ATOM 226 N SER A 15 -1.106 6.828 -3.821 1.00 10.00 N ATOM 227 CA SER A 15 -0.079 6.499 -2.826 1.00 10.00 C ATOM 228 C SER A 15 -0.687 6.377 -1.417 1.00 10.00 C ATOM 229 O SER A 15 -0.402 5.426 -0.689 1.00 10.00 O ATOM 230 CB SER A 15 1.041 7.548 -2.880 1.00 10.00 C ATOM 231 OG SER A 15 1.548 7.662 -4.194 1.00 10.00 O ATOM 0 H SER A 15 -0.966 7.735 -4.267 1.00 10.00 H new ATOM 0 HA SER A 15 0.351 5.526 -3.063 1.00 10.00 H new ATOM 0 HB2 SER A 15 0.660 8.513 -2.546 1.00 10.00 H new ATOM 0 HB3 SER A 15 1.843 7.268 -2.197 1.00 10.00 H new ATOM 0 HG SER A 15 1.070 8.374 -4.668 1.00 10.00 H new ATOM 237 N SER A 16 -1.604 7.286 -1.070 1.00 10.00 N ATOM 238 CA SER A 16 -2.420 7.264 0.144 1.00 10.00 C ATOM 239 C SER A 16 -3.324 6.030 0.197 1.00 10.00 C ATOM 240 O SER A 16 -3.376 5.364 1.230 1.00 10.00 O ATOM 241 CB SER A 16 -3.271 8.540 0.185 1.00 10.00 C ATOM 242 OG SER A 16 -4.158 8.527 1.284 1.00 10.00 O ATOM 0 H SER A 16 -1.805 8.095 -1.658 1.00 10.00 H new ATOM 0 HA SER A 16 -1.759 7.218 1.009 1.00 10.00 H new ATOM 0 HB2 SER A 16 -2.620 9.412 0.250 1.00 10.00 H new ATOM 0 HB3 SER A 16 -3.837 8.633 -0.742 1.00 10.00 H new ATOM 0 HG SER A 16 -4.687 9.352 1.287 1.00 10.00 H new ATOM 248 N PHE A 17 -3.980 5.668 -0.911 1.00 10.00 N ATOM 249 CA PHE A 17 -4.803 4.462 -1.020 1.00 10.00 C ATOM 250 C PHE A 17 -3.985 3.179 -0.790 1.00 10.00 C ATOM 251 O PHE A 17 -4.442 2.274 -0.082 1.00 10.00 O ATOM 252 CB PHE A 17 -5.493 4.488 -2.392 1.00 10.00 C ATOM 253 CG PHE A 17 -6.069 3.169 -2.854 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.367 2.786 -2.469 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.301 2.330 -3.683 1.00 10.00 C ATOM 256 CE1 PHE A 17 -7.903 1.571 -2.928 1.00 10.00 C ATOM 257 CE2 PHE A 17 -5.833 1.110 -4.128 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.140 0.741 -3.766 1.00 10.00 C ATOM 0 H PHE A 17 -3.952 6.216 -1.771 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.559 4.454 -0.235 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.296 5.225 -2.362 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.773 4.831 -3.135 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -7.950 3.425 -1.822 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -4.304 2.625 -3.976 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -8.900 1.276 -2.637 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -5.239 0.455 -4.748 1.00 10.00 H new ATOM 0 HZ PHE A 17 -7.559 -0.184 -4.133 1.00 10.00 H new ATOM 268 N LEU A 18 -2.758 3.110 -1.324 1.00 10.00 N ATOM 269 CA LEU A 18 -1.829 2.008 -1.057 1.00 10.00 C ATOM 270 C LEU A 18 -1.398 1.979 0.414 1.00 10.00 C ATOM 271 O LEU A 18 -1.542 0.946 1.066 1.00 10.00 O ATOM 272 CB LEU A 18 -0.604 2.124 -1.981 1.00 10.00 C ATOM 273 CG LEU A 18 -0.925 1.901 -3.468 1.00 10.00 C ATOM 274 CD1 LEU A 18 0.282 2.280 -4.329 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.305 0.454 -3.765 1.00 10.00 C ATOM 0 H LEU A 18 -2.383 3.819 -1.954 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.344 1.069 -1.262 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.161 3.112 -1.859 1.00 10.00 H new ATOM 0 HB3 LEU A 18 0.146 1.397 -1.668 1.00 10.00 H new ATOM 0 HG LEU A 18 -1.779 2.535 -3.707 1.00 10.00 H new ATOM 0 HD11 LEU A 18 0.044 2.118 -5.380 1.00 10.00 H new ATOM 0 HD12 LEU A 18 0.527 3.330 -4.170 1.00 10.00 H new ATOM 0 HD13 LEU A 18 1.136 1.662 -4.051 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -1.523 0.346 -4.828 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -0.477 -0.202 -3.496 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.187 0.183 -3.184 1.00 10.00 H new ATOM 287 N HIS A 19 -0.930 3.109 0.960 1.00 10.00 N ATOM 288 CA HIS A 19 -0.500 3.207 2.357 1.00 10.00 C ATOM 289 C HIS A 19 -1.631 2.821 3.326 1.00 10.00 C ATOM 290 O HIS A 19 -1.431 1.977 4.203 1.00 10.00 O ATOM 291 CB HIS A 19 0.029 4.630 2.605 1.00 10.00 C ATOM 292 CG HIS A 19 0.559 4.922 3.992 1.00 10.00 C ATOM 293 ND1 HIS A 19 0.899 6.171 4.459 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.823 4.039 5.008 1.00 10.00 C ATOM 295 CE1 HIS A 19 1.349 6.040 5.719 1.00 10.00 C ATOM 296 NE2 HIS A 19 1.313 4.756 6.101 1.00 10.00 N ATOM 0 H HIS A 19 -0.839 3.983 0.442 1.00 10.00 H new ATOM 0 HA HIS A 19 0.303 2.495 2.548 1.00 10.00 H new ATOM 0 HB2 HIS A 19 0.825 4.828 1.887 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.775 5.335 2.392 1.00 10.00 H new ATOM 0 HD2 HIS A 19 0.677 2.970 4.969 1.00 10.00 H new ATOM 0 HE1 HIS A 19 1.692 6.856 6.338 1.00 10.00 H new ATOM 0 HE2 HIS A 19 1.588 4.379 7.008 1.00 10.00 H new ATOM 304 N ASN A 20 -2.838 3.366 3.128 1.00 10.00 N ATOM 305 CA ASN A 20 -4.014 2.998 3.915 1.00 10.00 C ATOM 306 C ASN A 20 -4.409 1.528 3.711 1.00 10.00 C ATOM 307 O ASN A 20 -4.782 0.888 4.689 1.00 10.00 O ATOM 308 CB ASN A 20 -5.181 3.950 3.616 1.00 10.00 C ATOM 309 CG ASN A 20 -4.991 5.307 4.281 1.00 10.00 C ATOM 310 OD1 ASN A 20 -5.292 5.492 5.449 1.00 10.00 O ATOM 311 ND2 ASN A 20 -4.481 6.289 3.569 1.00 10.00 N ATOM 0 H ASN A 20 -3.023 4.074 2.417 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.755 3.102 4.969 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -5.274 4.084 2.538 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -6.113 3.503 3.963 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -4.337 7.205 3.993 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -4.230 6.134 2.593 1.00 10.00 H new ATOM 318 N THR A 21 -4.259 0.955 2.505 1.00 10.00 N ATOM 319 CA THR A 21 -4.516 -0.480 2.284 1.00 10.00 C ATOM 320 C THR A 21 -3.584 -1.351 3.138 1.00 10.00 C ATOM 321 O THR A 21 -4.062 -2.263 3.815 1.00 10.00 O ATOM 322 CB THR A 21 -4.374 -0.878 0.797 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.281 -0.181 -0.033 1.00 10.00 O ATOM 324 CG2 THR A 21 -4.675 -2.367 0.602 1.00 10.00 C ATOM 0 H THR A 21 -3.962 1.461 1.670 1.00 10.00 H new ATOM 0 HA THR A 21 -5.548 -0.655 2.586 1.00 10.00 H new ATOM 0 HB THR A 21 -3.347 -0.633 0.524 1.00 10.00 H new ATOM 0 HG1 THR A 21 -5.114 0.782 0.036 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.569 -2.625 -0.452 1.00 10.00 H new ATOM 0 HG22 THR A 21 -3.976 -2.960 1.193 1.00 10.00 H new ATOM 0 HG23 THR A 21 -5.694 -2.578 0.926 1.00 10.00 H new ATOM 332 N ILE A 22 -2.275 -1.059 3.157 1.00 10.00 N ATOM 333 CA ILE A 22 -1.308 -1.798 3.990 1.00 10.00 C ATOM 334 C ILE A 22 -1.609 -1.574 5.477 1.00 10.00 C ATOM 335 O ILE A 22 -1.656 -2.540 6.240 1.00 10.00 O ATOM 336 CB ILE A 22 0.146 -1.389 3.663 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.464 -1.632 2.182 1.00 10.00 C ATOM 338 CG2 ILE A 22 1.182 -2.152 4.512 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.908 -1.306 1.817 1.00 10.00 C ATOM 0 H ILE A 22 -1.858 -0.312 2.602 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.411 -2.860 3.765 1.00 10.00 H new ATOM 0 HB ILE A 22 0.217 -0.327 3.898 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.261 -2.675 1.940 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.204 -1.027 1.569 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.186 -1.825 4.241 1.00 10.00 H new ATOM 0 HG22 ILE A 22 1.007 -1.949 5.569 1.00 10.00 H new ATOM 0 HG23 ILE A 22 1.086 -3.222 4.328 1.00 10.00 H new ATOM 0 HD11 ILE A 22 2.068 -1.499 0.756 1.00 10.00 H new ATOM 0 HD12 ILE A 22 2.109 -0.256 2.029 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.582 -1.930 2.405 1.00 10.00 H new ATOM 351 N SER A 23 -1.849 -0.320 5.884 1.00 10.00 N ATOM 352 CA SER A 23 -2.187 0.023 7.268 1.00 10.00 C ATOM 353 C SER A 23 -3.438 -0.724 7.746 1.00 10.00 C ATOM 354 O SER A 23 -3.394 -1.389 8.781 1.00 10.00 O ATOM 355 CB SER A 23 -2.362 1.538 7.397 1.00 10.00 C ATOM 356 OG SER A 23 -2.496 1.890 8.756 1.00 10.00 O ATOM 0 H SER A 23 -1.814 0.486 5.259 1.00 10.00 H new ATOM 0 HA SER A 23 -1.366 -0.292 7.912 1.00 10.00 H new ATOM 0 HB2 SER A 23 -1.504 2.051 6.962 1.00 10.00 H new ATOM 0 HB3 SER A 23 -3.242 1.860 6.840 1.00 10.00 H new ATOM 0 HG SER A 23 -2.606 2.861 8.833 1.00 10.00 H new ATOM 362 N ASP A 24 -4.520 -0.719 6.956 1.00 10.00 N ATOM 363 CA ASP A 24 -5.734 -1.474 7.264 1.00 10.00 C ATOM 364 C ASP A 24 -5.486 -2.985 7.290 1.00 10.00 C ATOM 365 O ASP A 24 -6.021 -3.661 8.168 1.00 10.00 O ATOM 366 CB ASP A 24 -6.823 -1.179 6.214 1.00 10.00 C ATOM 367 CG ASP A 24 -7.593 0.128 6.409 1.00 10.00 C ATOM 368 OD1 ASP A 24 -7.489 0.729 7.500 1.00 10.00 O ATOM 369 OD2 ASP A 24 -8.374 0.438 5.482 1.00 10.00 O ATOM 0 H ASP A 24 -4.575 -0.190 6.086 1.00 10.00 H new ATOM 0 HA ASP A 24 -6.058 -1.158 8.256 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.357 -1.162 5.229 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.536 -2.003 6.215 1.00 10.00 H new ATOM 374 N PHE A 25 -4.661 -3.531 6.385 1.00 10.00 N ATOM 375 CA PHE A 25 -4.328 -4.958 6.401 1.00 10.00 C ATOM 376 C PHE A 25 -3.599 -5.331 7.698 1.00 10.00 C ATOM 377 O PHE A 25 -3.982 -6.292 8.368 1.00 10.00 O ATOM 378 CB PHE A 25 -3.485 -5.306 5.164 1.00 10.00 C ATOM 379 CG PHE A 25 -3.218 -6.790 4.987 1.00 10.00 C ATOM 380 CD1 PHE A 25 -2.204 -7.428 5.729 1.00 10.00 C ATOM 381 CD2 PHE A 25 -3.968 -7.532 4.055 1.00 10.00 C ATOM 382 CE1 PHE A 25 -1.942 -8.797 5.543 1.00 10.00 C ATOM 383 CE2 PHE A 25 -3.722 -8.905 3.884 1.00 10.00 C ATOM 384 CZ PHE A 25 -2.714 -9.537 4.629 1.00 10.00 C ATOM 0 H PHE A 25 -4.214 -3.005 5.635 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.249 -5.541 6.367 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -3.993 -4.932 4.275 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.531 -4.782 5.230 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.625 -6.863 6.444 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -4.734 -7.045 3.470 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -1.151 -9.278 6.100 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -4.309 -9.474 3.179 1.00 10.00 H new ATOM 0 HZ PHE A 25 -2.531 -10.594 4.500 1.00 10.00 H new ATOM 394 N ILE A 26 -2.613 -4.520 8.102 1.00 10.00 N ATOM 395 CA ILE A 26 -1.880 -4.693 9.343 1.00 10.00 C ATOM 396 C ILE A 26 -2.845 -4.583 10.525 1.00 10.00 C ATOM 397 O ILE A 26 -2.924 -5.532 11.294 1.00 10.00 O ATOM 398 CB ILE A 26 -0.714 -3.684 9.376 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.359 -4.114 8.347 1.00 10.00 C ATOM 400 CG2 ILE A 26 -0.120 -3.591 10.784 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.417 -3.039 8.088 1.00 10.00 C ATOM 0 H ILE A 26 -2.304 -3.714 7.559 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.434 -5.685 9.414 1.00 10.00 H new ATOM 0 HB ILE A 26 -1.084 -2.694 9.111 1.00 10.00 H new ATOM 0 HG12 ILE A 26 0.851 -5.019 8.703 1.00 10.00 H new ATOM 0 HG13 ILE A 26 -0.131 -4.366 7.406 1.00 10.00 H new ATOM 0 HG21 ILE A 26 0.701 -2.874 10.786 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.890 -3.263 11.483 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.252 -4.570 11.087 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.138 -3.406 7.357 1.00 10.00 H new ATOM 0 HD12 ILE A 26 0.936 -2.140 7.703 1.00 10.00 H new ATOM 0 HD13 ILE A 26 1.932 -2.804 9.019 1.00 10.00 H new ATOM 413 N LEU A 27 -3.644 -3.513 10.632 1.00 10.00 N ATOM 414 CA LEU A 27 -4.608 -3.334 11.728 1.00 10.00 C ATOM 415 C LEU A 27 -5.678 -4.440 11.798 1.00 10.00 C ATOM 416 O LEU A 27 -6.159 -4.742 12.889 1.00 10.00 O ATOM 417 CB LEU A 27 -5.260 -1.938 11.626 1.00 10.00 C ATOM 418 CG LEU A 27 -4.583 -0.814 12.438 1.00 10.00 C ATOM 419 CD1 LEU A 27 -4.759 -1.030 13.946 1.00 10.00 C ATOM 420 CD2 LEU A 27 -3.090 -0.634 12.144 1.00 10.00 C ATOM 0 H LEU A 27 -3.641 -2.745 9.960 1.00 10.00 H new ATOM 0 HA LEU A 27 -4.047 -3.412 12.659 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -5.276 -1.642 10.577 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -6.298 -2.019 11.950 1.00 10.00 H new ATOM 0 HG LEU A 27 -5.092 0.095 12.117 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -4.270 -0.221 14.489 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -5.821 -1.042 14.190 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -4.311 -1.981 14.232 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -2.694 0.176 12.757 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -2.560 -1.558 12.376 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -2.953 -0.392 11.090 1.00 10.00 H new ATOM 432 N LYS A 28 -6.034 -5.068 10.667 1.00 10.00 N ATOM 433 CA LYS A 28 -6.928 -6.237 10.621 1.00 10.00 C ATOM 434 C LYS A 28 -6.224 -7.576 10.901 1.00 10.00 C ATOM 435 O LYS A 28 -6.919 -8.586 11.002 1.00 10.00 O ATOM 436 CB LYS A 28 -7.675 -6.270 9.274 1.00 10.00 C ATOM 437 CG LYS A 28 -8.797 -5.215 9.245 1.00 10.00 C ATOM 438 CD LYS A 28 -9.502 -5.099 7.885 1.00 10.00 C ATOM 439 CE LYS A 28 -8.561 -4.465 6.858 1.00 10.00 C ATOM 440 NZ LYS A 28 -9.252 -4.065 5.611 1.00 10.00 N ATOM 0 H LYS A 28 -5.705 -4.775 9.747 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.642 -6.117 11.435 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -6.974 -6.085 8.460 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -8.098 -7.262 9.112 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -9.536 -5.463 10.007 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -8.378 -4.245 9.511 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -9.815 -6.086 7.543 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -10.404 -4.496 7.984 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -8.086 -3.590 7.300 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -7.767 -5.171 6.616 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -8.566 -3.642 4.954 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -9.684 -4.902 5.170 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -9.993 -3.369 5.832 1.00 10.00 H new ATOM 454 N ARG A 29 -4.889 -7.609 11.043 1.00 10.00 N ATOM 455 CA ARG A 29 -4.119 -8.859 11.196 1.00 10.00 C ATOM 456 C ARG A 29 -3.159 -8.900 12.406 1.00 10.00 C ATOM 457 O ARG A 29 -2.962 -9.978 12.956 1.00 10.00 O ATOM 458 CB ARG A 29 -3.390 -9.097 9.865 1.00 10.00 C ATOM 459 CG ARG A 29 -2.906 -10.535 9.656 1.00 10.00 C ATOM 460 CD ARG A 29 -3.911 -11.473 8.979 1.00 10.00 C ATOM 461 NE ARG A 29 -3.254 -12.750 8.630 1.00 10.00 N ATOM 462 CZ ARG A 29 -2.355 -12.918 7.663 1.00 10.00 C ATOM 463 NH1 ARG A 29 -2.049 -11.979 6.808 1.00 10.00 N ATOM 464 NH2 ARG A 29 -1.685 -14.030 7.506 1.00 10.00 N ATOM 0 H ARG A 29 -4.310 -6.769 11.055 1.00 10.00 H new ATOM 0 HA ARG A 29 -4.816 -9.666 11.423 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -4.058 -8.829 9.046 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -2.532 -8.426 9.810 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -1.996 -10.511 9.057 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -2.638 -10.955 10.625 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -4.754 -11.658 9.645 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -4.312 -11.003 8.081 1.00 10.00 H new ATOM 0 HE ARG A 29 -3.511 -13.572 9.176 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -2.506 -11.069 6.865 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -1.353 -12.156 6.084 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -1.842 -14.814 8.139 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -1.005 -14.114 6.750 1.00 10.00 H new ATOM 478 N VAL A 30 -2.608 -7.764 12.854 1.00 10.00 N ATOM 479 CA VAL A 30 -1.705 -7.621 14.014 1.00 10.00 C ATOM 480 C VAL A 30 -2.107 -6.377 14.826 1.00 10.00 C ATOM 481 O VAL A 30 -2.538 -5.373 14.258 1.00 10.00 O ATOM 482 CB VAL A 30 -0.235 -7.502 13.552 1.00 10.00 C ATOM 483 CG1 VAL A 30 0.728 -7.691 14.729 1.00 10.00 C ATOM 484 CG2 VAL A 30 0.164 -8.537 12.495 1.00 10.00 C ATOM 0 H VAL A 30 -2.787 -6.870 12.396 1.00 10.00 H new ATOM 0 HA VAL A 30 -1.793 -8.508 14.641 1.00 10.00 H new ATOM 0 HB VAL A 30 -0.164 -6.503 13.122 1.00 10.00 H new ATOM 0 HG11 VAL A 30 1.756 -7.602 14.376 1.00 10.00 H new ATOM 0 HG12 VAL A 30 0.536 -6.927 15.483 1.00 10.00 H new ATOM 0 HG13 VAL A 30 0.578 -8.678 15.167 1.00 10.00 H new ATOM 0 HG21 VAL A 30 1.209 -8.392 12.220 1.00 10.00 H new ATOM 0 HG22 VAL A 30 0.032 -9.540 12.900 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -0.464 -8.416 11.612 1.00 10.00 H new ATOM 494 N SER A 31 -1.990 -6.416 16.159 1.00 10.00 N ATOM 495 CA SER A 31 -2.571 -5.379 17.022 1.00 10.00 C ATOM 496 C SER A 31 -1.695 -4.135 17.240 1.00 10.00 C ATOM 497 O SER A 31 -0.515 -4.204 17.574 1.00 10.00 O ATOM 498 CB SER A 31 -2.975 -5.997 18.365 1.00 10.00 C ATOM 499 OG SER A 31 -3.515 -5.013 19.231 1.00 10.00 O ATOM 0 H SER A 31 -1.499 -7.154 16.664 1.00 10.00 H new ATOM 0 HA SER A 31 -3.444 -5.006 16.486 1.00 10.00 H new ATOM 0 HB2 SER A 31 -3.709 -6.786 18.201 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.107 -6.462 18.832 1.00 10.00 H new ATOM 0 HG SER A 31 -3.768 -5.429 20.082 1.00 10.00 H new ATOM 505 N ALA A 32 -2.315 -2.954 17.173 1.00 10.00 N ATOM 506 CA ALA A 32 -1.720 -1.686 17.605 1.00 10.00 C ATOM 507 C ALA A 32 -1.128 -1.744 19.034 1.00 10.00 C ATOM 508 O ALA A 32 -0.259 -0.945 19.364 1.00 10.00 O ATOM 509 CB ALA A 32 -2.772 -0.580 17.480 1.00 10.00 C ATOM 0 H ALA A 32 -3.263 -2.850 16.810 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.873 -1.471 16.953 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -2.342 0.369 17.799 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -3.096 -0.501 16.442 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -3.629 -0.820 18.110 1.00 10.00 H new ATOM 515 N LYS A 33 -1.610 -2.658 19.896 1.00 10.00 N ATOM 516 CA LYS A 33 -1.084 -2.885 21.256 1.00 10.00 C ATOM 517 C LYS A 33 0.231 -3.694 21.318 1.00 10.00 C ATOM 518 O LYS A 33 0.787 -3.836 22.402 1.00 10.00 O ATOM 519 CB LYS A 33 -2.166 -3.551 22.124 1.00 10.00 C ATOM 520 CG LYS A 33 -3.446 -2.703 22.210 1.00 10.00 C ATOM 521 CD LYS A 33 -4.474 -3.339 23.151 1.00 10.00 C ATOM 522 CE LYS A 33 -5.736 -2.471 23.186 1.00 10.00 C ATOM 523 NZ LYS A 33 -6.768 -3.048 24.078 1.00 10.00 N ATOM 0 H LYS A 33 -2.391 -3.271 19.663 1.00 10.00 H new ATOM 0 HA LYS A 33 -0.828 -1.900 21.646 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -2.408 -4.530 21.711 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -1.774 -3.716 23.127 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -3.198 -1.702 22.562 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -3.879 -2.593 21.216 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -4.720 -4.345 22.812 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -4.056 -3.434 24.153 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -5.479 -1.468 23.526 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -6.139 -2.372 22.178 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -7.608 -2.435 24.078 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -7.030 -3.995 23.738 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -6.391 -3.119 25.045 1.00 10.00 H new ATOM 537 N GLU A 34 0.728 -4.209 20.189 1.00 10.00 N ATOM 538 CA GLU A 34 2.000 -4.956 20.067 1.00 10.00 C ATOM 539 C GLU A 34 2.903 -4.406 18.947 1.00 10.00 C ATOM 540 O GLU A 34 4.122 -4.577 19.002 1.00 10.00 O ATOM 541 CB GLU A 34 1.729 -6.461 19.857 1.00 10.00 C ATOM 542 CG GLU A 34 0.864 -6.706 18.610 1.00 10.00 C ATOM 543 CD GLU A 34 0.485 -8.153 18.327 1.00 10.00 C ATOM 544 OE1 GLU A 34 1.263 -9.048 18.730 1.00 10.00 O ATOM 545 OE2 GLU A 34 -0.583 -8.330 17.690 1.00 10.00 O ATOM 0 H GLU A 34 0.243 -4.118 19.297 1.00 10.00 H new ATOM 0 HA GLU A 34 2.539 -4.820 21.005 1.00 10.00 H new ATOM 0 HB2 GLU A 34 2.675 -6.992 19.755 1.00 10.00 H new ATOM 0 HB3 GLU A 34 1.228 -6.868 20.735 1.00 10.00 H new ATOM 0 HG2 GLU A 34 -0.053 -6.125 18.710 1.00 10.00 H new ATOM 0 HG3 GLU A 34 1.396 -6.315 17.742 1.00 10.00 H new ATOM 552 N ILE A 35 2.316 -3.714 17.960 1.00 10.00 N ATOM 553 CA ILE A 35 3.014 -2.924 16.945 1.00 10.00 C ATOM 554 C ILE A 35 3.581 -1.689 17.658 1.00 10.00 C ATOM 555 O ILE A 35 2.832 -0.824 18.109 1.00 10.00 O ATOM 556 CB ILE A 35 2.028 -2.519 15.820 1.00 10.00 C ATOM 557 CG1 ILE A 35 1.385 -3.732 15.102 1.00 10.00 C ATOM 558 CG2 ILE A 35 2.675 -1.571 14.793 1.00 10.00 C ATOM 559 CD1 ILE A 35 2.210 -4.334 13.969 1.00 10.00 C ATOM 0 H ILE A 35 1.303 -3.691 17.846 1.00 10.00 H new ATOM 0 HA ILE A 35 3.818 -3.493 16.478 1.00 10.00 H new ATOM 0 HB ILE A 35 1.225 -1.982 16.326 1.00 10.00 H new ATOM 0 HG12 ILE A 35 1.192 -4.510 15.841 1.00 10.00 H new ATOM 0 HG13 ILE A 35 0.419 -3.425 14.702 1.00 10.00 H new ATOM 0 HG21 ILE A 35 1.946 -1.315 14.024 1.00 10.00 H new ATOM 0 HG22 ILE A 35 3.007 -0.662 15.295 1.00 10.00 H new ATOM 0 HG23 ILE A 35 3.531 -2.064 14.332 1.00 10.00 H new ATOM 0 HD11 ILE A 35 1.671 -5.176 13.534 1.00 10.00 H new ATOM 0 HD12 ILE A 35 2.382 -3.578 13.203 1.00 10.00 H new ATOM 0 HD13 ILE A 35 3.167 -4.679 14.360 1.00 10.00 H new ATOM 571 N VAL A 36 4.909 -1.612 17.761 1.00 10.00 N ATOM 572 CA VAL A 36 5.627 -0.431 18.251 1.00 10.00 C ATOM 573 C VAL A 36 5.494 0.702 17.235 1.00 10.00 C ATOM 574 O VAL A 36 5.140 1.814 17.618 1.00 10.00 O ATOM 575 CB VAL A 36 7.105 -0.788 18.518 1.00 10.00 C ATOM 576 CG1 VAL A 36 8.007 0.444 18.650 1.00 10.00 C ATOM 577 CG2 VAL A 36 7.215 -1.624 19.799 1.00 10.00 C ATOM 0 H VAL A 36 5.527 -2.381 17.502 1.00 10.00 H new ATOM 0 HA VAL A 36 5.193 -0.095 19.193 1.00 10.00 H new ATOM 0 HB VAL A 36 7.449 -1.355 17.653 1.00 10.00 H new ATOM 0 HG11 VAL A 36 9.033 0.126 18.837 1.00 10.00 H new ATOM 0 HG12 VAL A 36 7.969 1.023 17.727 1.00 10.00 H new ATOM 0 HG13 VAL A 36 7.662 1.061 19.480 1.00 10.00 H new ATOM 0 HG21 VAL A 36 8.260 -1.873 19.982 1.00 10.00 H new ATOM 0 HG22 VAL A 36 6.825 -1.052 20.641 1.00 10.00 H new ATOM 0 HG23 VAL A 36 6.638 -2.542 19.685 1.00 10.00 H new ATOM 587 N ASP A 37 5.732 0.409 15.950 1.00 10.00 N ATOM 588 CA ASP A 37 5.437 1.328 14.846 1.00 10.00 C ATOM 589 C ASP A 37 5.363 0.611 13.481 1.00 10.00 C ATOM 590 O ASP A 37 5.676 -0.578 13.358 1.00 10.00 O ATOM 591 CB ASP A 37 6.475 2.477 14.806 1.00 10.00 C ATOM 592 CG ASP A 37 5.826 3.825 14.461 1.00 10.00 C ATOM 593 OD1 ASP A 37 4.827 3.804 13.704 1.00 10.00 O ATOM 594 OD2 ASP A 37 6.316 4.854 14.977 1.00 10.00 O ATOM 0 H ASP A 37 6.137 -0.477 15.647 1.00 10.00 H new ATOM 0 HA ASP A 37 4.449 1.747 15.035 1.00 10.00 H new ATOM 0 HB2 ASP A 37 6.972 2.551 15.773 1.00 10.00 H new ATOM 0 HB3 ASP A 37 7.244 2.246 14.069 1.00 10.00 H new ATOM 599 N ILE A 38 4.987 1.363 12.443 1.00 10.00 N ATOM 600 CA ILE A 38 5.050 0.949 11.038 1.00 10.00 C ATOM 601 C ILE A 38 5.605 2.084 10.178 1.00 10.00 C ATOM 602 O ILE A 38 5.202 3.237 10.310 1.00 10.00 O ATOM 603 CB ILE A 38 3.681 0.475 10.487 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.507 1.439 10.788 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.390 -0.942 10.992 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.179 1.038 10.129 1.00 10.00 C ATOM 0 H ILE A 38 4.619 2.307 12.561 1.00 10.00 H new ATOM 0 HA ILE A 38 5.721 0.092 10.990 1.00 10.00 H new ATOM 0 HB ILE A 38 3.761 0.471 9.400 1.00 10.00 H new ATOM 0 HG12 ILE A 38 2.363 1.492 11.867 1.00 10.00 H new ATOM 0 HG13 ILE A 38 2.778 2.440 10.453 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.427 -1.276 10.605 1.00 10.00 H new ATOM 0 HG22 ILE A 38 4.173 -1.618 10.649 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.362 -0.941 12.082 1.00 10.00 H new ATOM 0 HD11 ILE A 38 0.409 1.765 10.390 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.303 1.013 9.046 1.00 10.00 H new ATOM 0 HD13 ILE A 38 0.881 0.051 10.483 1.00 10.00 H new ATOM 618 N ASP A 39 6.474 1.726 9.232 1.00 10.00 N ATOM 619 CA ASP A 39 7.046 2.660 8.263 1.00 10.00 C ATOM 620 C ASP A 39 6.712 2.143 6.868 1.00 10.00 C ATOM 621 O ASP A 39 7.037 1.006 6.524 1.00 10.00 O ATOM 622 CB ASP A 39 8.560 2.818 8.463 1.00 10.00 C ATOM 623 CG ASP A 39 8.903 3.529 9.771 1.00 10.00 C ATOM 624 OD1 ASP A 39 8.954 4.780 9.736 1.00 10.00 O ATOM 625 OD2 ASP A 39 9.128 2.816 10.775 1.00 10.00 O ATOM 0 H ASP A 39 6.804 0.768 9.116 1.00 10.00 H new ATOM 0 HA ASP A 39 6.619 3.653 8.402 1.00 10.00 H new ATOM 0 HB2 ASP A 39 9.030 1.834 8.453 1.00 10.00 H new ATOM 0 HB3 ASP A 39 8.978 3.379 7.627 1.00 10.00 H new ATOM 630 N ILE A 40 5.999 2.955 6.083 1.00 10.00 N ATOM 631 CA ILE A 40 5.496 2.582 4.762 1.00 10.00 C ATOM 632 C ILE A 40 5.861 3.694 3.785 1.00 10.00 C ATOM 633 O ILE A 40 5.403 4.829 3.914 1.00 10.00 O ATOM 634 CB ILE A 40 3.981 2.273 4.811 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.740 0.941 5.558 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.394 2.158 3.389 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.317 0.731 6.068 1.00 10.00 C ATOM 0 H ILE A 40 5.752 3.907 6.354 1.00 10.00 H new ATOM 0 HA ILE A 40 5.961 1.659 4.416 1.00 10.00 H new ATOM 0 HB ILE A 40 3.488 3.092 5.334 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.995 0.117 4.891 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.424 0.889 6.405 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.328 1.940 3.452 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.542 3.098 2.857 1.00 10.00 H new ATOM 0 HG23 ILE A 40 3.897 1.354 2.852 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.251 -0.231 6.577 1.00 10.00 H new ATOM 0 HD12 ILE A 40 2.059 1.529 6.765 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.623 0.745 5.227 1.00 10.00 H new ATOM 649 N THR A 41 6.677 3.334 2.795 1.00 10.00 N ATOM 650 CA THR A 41 7.175 4.226 1.755 1.00 10.00 C ATOM 651 C THR A 41 6.701 3.680 0.414 1.00 10.00 C ATOM 652 O THR A 41 7.049 2.569 0.009 1.00 10.00 O ATOM 653 CB THR A 41 8.708 4.329 1.818 1.00 10.00 C ATOM 654 OG1 THR A 41 9.103 4.786 3.092 1.00 10.00 O ATOM 655 CG2 THR A 41 9.265 5.330 0.806 1.00 10.00 C ATOM 0 H THR A 41 7.020 2.379 2.694 1.00 10.00 H new ATOM 0 HA THR A 41 6.790 5.236 1.896 1.00 10.00 H new ATOM 0 HB THR A 41 9.093 3.333 1.599 1.00 10.00 H new ATOM 0 HG1 THR A 41 10.080 4.849 3.129 1.00 10.00 H new ATOM 0 HG21 THR A 41 10.351 5.366 0.890 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.989 5.020 -0.202 1.00 10.00 H new ATOM 0 HG23 THR A 41 8.852 6.319 1.007 1.00 10.00 H new ATOM 663 N VAL A 42 5.892 4.484 -0.270 1.00 10.00 N ATOM 664 CA VAL A 42 5.279 4.184 -1.557 1.00 10.00 C ATOM 665 C VAL A 42 5.822 5.159 -2.596 1.00 10.00 C ATOM 666 O VAL A 42 5.837 6.368 -2.367 1.00 10.00 O ATOM 667 CB VAL A 42 3.742 4.248 -1.442 1.00 10.00 C ATOM 668 CG1 VAL A 42 3.199 2.954 -0.823 1.00 10.00 C ATOM 669 CG2 VAL A 42 3.218 5.432 -0.611 1.00 10.00 C ATOM 0 H VAL A 42 5.634 5.408 0.077 1.00 10.00 H new ATOM 0 HA VAL A 42 5.530 3.171 -1.873 1.00 10.00 H new ATOM 0 HB VAL A 42 3.387 4.384 -2.464 1.00 10.00 H new ATOM 0 HG11 VAL A 42 2.113 3.014 -0.748 1.00 10.00 H new ATOM 0 HG12 VAL A 42 3.473 2.107 -1.452 1.00 10.00 H new ATOM 0 HG13 VAL A 42 3.624 2.820 0.172 1.00 10.00 H new ATOM 0 HG21 VAL A 42 2.129 5.402 -0.581 1.00 10.00 H new ATOM 0 HG22 VAL A 42 3.611 5.367 0.404 1.00 10.00 H new ATOM 0 HG23 VAL A 42 3.543 6.368 -1.066 1.00 10.00 H new ATOM 679 N LEU A 43 6.278 4.627 -3.730 1.00 10.00 N ATOM 680 CA LEU A 43 6.835 5.392 -4.840 1.00 10.00 C ATOM 681 C LEU A 43 5.958 5.181 -6.072 1.00 10.00 C ATOM 682 O LEU A 43 5.526 4.063 -6.348 1.00 10.00 O ATOM 683 CB LEU A 43 8.283 4.963 -5.149 1.00 10.00 C ATOM 684 CG LEU A 43 9.372 5.188 -4.081 1.00 10.00 C ATOM 685 CD1 LEU A 43 9.317 6.578 -3.441 1.00 10.00 C ATOM 686 CD2 LEU A 43 9.384 4.113 -2.989 1.00 10.00 C ATOM 0 H LEU A 43 6.269 3.622 -3.904 1.00 10.00 H new ATOM 0 HA LEU A 43 6.854 6.446 -4.564 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.268 3.899 -5.385 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.595 5.486 -6.053 1.00 10.00 H new ATOM 0 HG LEU A 43 10.306 5.111 -4.638 1.00 10.00 H new ATOM 0 HD11 LEU A 43 10.110 6.669 -2.699 1.00 10.00 H new ATOM 0 HD12 LEU A 43 9.451 7.338 -4.210 1.00 10.00 H new ATOM 0 HD13 LEU A 43 8.350 6.718 -2.957 1.00 10.00 H new ATOM 0 HD21 LEU A 43 10.174 4.333 -2.271 1.00 10.00 H new ATOM 0 HD22 LEU A 43 8.421 4.103 -2.478 1.00 10.00 H new ATOM 0 HD23 LEU A 43 9.565 3.138 -3.441 1.00 10.00 H new ATOM 698 N VAL A 44 5.719 6.256 -6.823 1.00 10.00 N ATOM 699 CA VAL A 44 4.992 6.227 -8.094 1.00 10.00 C ATOM 700 C VAL A 44 5.680 7.168 -9.088 1.00 10.00 C ATOM 701 O VAL A 44 6.046 8.288 -8.738 1.00 10.00 O ATOM 702 CB VAL A 44 3.489 6.508 -7.871 1.00 10.00 C ATOM 703 CG1 VAL A 44 3.183 7.827 -7.146 1.00 10.00 C ATOM 704 CG2 VAL A 44 2.714 6.451 -9.193 1.00 10.00 C ATOM 0 H VAL A 44 6.031 7.191 -6.560 1.00 10.00 H new ATOM 0 HA VAL A 44 5.025 5.232 -8.537 1.00 10.00 H new ATOM 0 HB VAL A 44 3.155 5.712 -7.206 1.00 10.00 H new ATOM 0 HG11 VAL A 44 2.105 7.939 -7.034 1.00 10.00 H new ATOM 0 HG12 VAL A 44 3.651 7.818 -6.162 1.00 10.00 H new ATOM 0 HG13 VAL A 44 3.576 8.661 -7.727 1.00 10.00 H new ATOM 0 HG21 VAL A 44 1.659 6.653 -9.005 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.110 7.199 -9.879 1.00 10.00 H new ATOM 0 HG23 VAL A 44 2.821 5.460 -9.635 1.00 10.00 H new ATOM 714 N GLU A 45 5.895 6.690 -10.315 1.00 10.00 N ATOM 715 CA GLU A 45 6.705 7.346 -11.345 1.00 10.00 C ATOM 716 C GLU A 45 6.170 6.979 -12.742 1.00 10.00 C ATOM 717 O GLU A 45 5.501 5.955 -12.907 1.00 10.00 O ATOM 718 CB GLU A 45 8.165 6.871 -11.192 1.00 10.00 C ATOM 719 CG GLU A 45 9.195 7.813 -11.831 1.00 10.00 C ATOM 720 CD GLU A 45 10.517 7.085 -12.098 1.00 10.00 C ATOM 721 OE1 GLU A 45 11.191 6.715 -11.114 1.00 10.00 O ATOM 722 OE2 GLU A 45 10.829 6.903 -13.300 1.00 10.00 O ATOM 0 H GLU A 45 5.497 5.806 -10.630 1.00 10.00 H new ATOM 0 HA GLU A 45 6.655 8.429 -11.231 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.393 6.765 -10.131 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.264 5.882 -11.640 1.00 10.00 H new ATOM 0 HG2 GLU A 45 8.799 8.209 -12.766 1.00 10.00 H new ATOM 0 HG3 GLU A 45 9.371 8.664 -11.173 1.00 10.00 H new ATOM 729 N TYR A 46 6.484 7.779 -13.768 1.00 10.00 N ATOM 730 CA TYR A 46 6.090 7.467 -15.140 1.00 10.00 C ATOM 731 C TYR A 46 7.200 7.955 -16.084 1.00 10.00 C ATOM 732 O TYR A 46 7.301 9.144 -16.385 1.00 10.00 O ATOM 733 CB TYR A 46 4.704 8.078 -15.423 1.00 10.00 C ATOM 734 CG TYR A 46 3.915 7.483 -16.583 1.00 10.00 C ATOM 735 CD1 TYR A 46 4.521 7.067 -17.789 1.00 10.00 C ATOM 736 CD2 TYR A 46 2.529 7.292 -16.406 1.00 10.00 C ATOM 737 CE1 TYR A 46 3.749 6.452 -18.794 1.00 10.00 C ATOM 738 CE2 TYR A 46 1.752 6.685 -17.407 1.00 10.00 C ATOM 739 CZ TYR A 46 2.365 6.256 -18.605 1.00 10.00 C ATOM 740 OH TYR A 46 1.625 5.654 -19.574 1.00 10.00 O ATOM 0 H TYR A 46 7.010 8.647 -13.670 1.00 10.00 H new ATOM 0 HA TYR A 46 5.983 6.395 -15.303 1.00 10.00 H new ATOM 0 HB2 TYR A 46 4.101 7.986 -14.520 1.00 10.00 H new ATOM 0 HB3 TYR A 46 4.835 9.144 -15.612 1.00 10.00 H new ATOM 0 HD1 TYR A 46 5.579 7.221 -17.941 1.00 10.00 H new ATOM 0 HD2 TYR A 46 2.059 7.616 -15.489 1.00 10.00 H new ATOM 0 HE1 TYR A 46 4.218 6.130 -19.712 1.00 10.00 H new ATOM 0 HE2 TYR A 46 0.691 6.547 -17.261 1.00 10.00 H new ATOM 0 HH TYR A 46 0.691 5.596 -19.284 1.00 10.00 H new ATOM 750 N THR A 47 8.043 7.019 -16.527 1.00 10.00 N ATOM 751 CA THR A 47 9.270 7.257 -17.303 1.00 10.00 C ATOM 752 C THR A 47 9.243 6.311 -18.501 1.00 10.00 C ATOM 753 O THR A 47 9.806 5.220 -18.451 1.00 10.00 O ATOM 754 CB THR A 47 10.521 7.081 -16.419 1.00 10.00 C ATOM 755 OG1 THR A 47 10.479 8.024 -15.375 1.00 10.00 O ATOM 756 CG2 THR A 47 11.831 7.339 -17.168 1.00 10.00 C ATOM 0 H THR A 47 7.884 6.027 -16.348 1.00 10.00 H new ATOM 0 HA THR A 47 9.316 8.284 -17.665 1.00 10.00 H new ATOM 0 HB THR A 47 10.505 6.048 -16.071 1.00 10.00 H new ATOM 0 HG1 THR A 47 10.130 7.599 -14.564 1.00 10.00 H new ATOM 0 HG21 THR A 47 12.672 7.198 -16.489 1.00 10.00 H new ATOM 0 HG22 THR A 47 11.917 6.642 -18.001 1.00 10.00 H new ATOM 0 HG23 THR A 47 11.838 8.361 -17.547 1.00 10.00 H new ATOM 764 N ASP A 48 8.499 6.710 -19.543 1.00 10.00 N ATOM 765 CA ASP A 48 8.081 5.906 -20.711 1.00 10.00 C ATOM 766 C ASP A 48 7.112 4.772 -20.317 1.00 10.00 C ATOM 767 O ASP A 48 6.031 4.653 -20.890 1.00 10.00 O ATOM 768 CB ASP A 48 9.295 5.418 -21.521 1.00 10.00 C ATOM 769 CG ASP A 48 8.885 4.943 -22.917 1.00 10.00 C ATOM 770 OD1 ASP A 48 8.473 5.817 -23.712 1.00 10.00 O ATOM 771 OD2 ASP A 48 9.006 3.726 -23.174 1.00 10.00 O ATOM 0 H ASP A 48 8.148 7.666 -19.600 1.00 10.00 H new ATOM 0 HA ASP A 48 7.513 6.557 -21.376 1.00 10.00 H new ATOM 0 HB2 ASP A 48 10.023 6.225 -21.609 1.00 10.00 H new ATOM 0 HB3 ASP A 48 9.785 4.603 -20.988 1.00 10.00 H new ATOM 776 N GLU A 49 7.446 4.017 -19.267 1.00 10.00 N ATOM 777 CA GLU A 49 6.567 3.075 -18.577 1.00 10.00 C ATOM 778 C GLU A 49 5.974 3.714 -17.306 1.00 10.00 C ATOM 779 O GLU A 49 6.558 4.628 -16.720 1.00 10.00 O ATOM 780 CB GLU A 49 7.340 1.791 -18.209 1.00 10.00 C ATOM 781 CG GLU A 49 8.614 2.049 -17.375 1.00 10.00 C ATOM 782 CD GLU A 49 9.122 0.832 -16.592 1.00 10.00 C ATOM 783 OE1 GLU A 49 8.316 -0.020 -16.163 1.00 10.00 O ATOM 784 OE2 GLU A 49 10.318 0.798 -16.227 1.00 10.00 O ATOM 0 H GLU A 49 8.380 4.049 -18.858 1.00 10.00 H new ATOM 0 HA GLU A 49 5.750 2.816 -19.250 1.00 10.00 H new ATOM 0 HB2 GLU A 49 6.679 1.128 -17.651 1.00 10.00 H new ATOM 0 HB3 GLU A 49 7.616 1.269 -19.125 1.00 10.00 H new ATOM 0 HG2 GLU A 49 9.405 2.392 -18.041 1.00 10.00 H new ATOM 0 HG3 GLU A 49 8.415 2.859 -16.673 1.00 10.00 H new ATOM 791 N LEU A 50 4.838 3.185 -16.837 1.00 10.00 N ATOM 792 CA LEU A 50 4.262 3.503 -15.530 1.00 10.00 C ATOM 793 C LEU A 50 4.918 2.591 -14.485 1.00 10.00 C ATOM 794 O LEU A 50 4.923 1.371 -14.655 1.00 10.00 O ATOM 795 CB LEU A 50 2.736 3.271 -15.575 1.00 10.00 C ATOM 796 CG LEU A 50 2.027 3.329 -14.203 1.00 10.00 C ATOM 797 CD1 LEU A 50 2.105 4.709 -13.546 1.00 10.00 C ATOM 798 CD2 LEU A 50 0.552 2.951 -14.357 1.00 10.00 C ATOM 0 H LEU A 50 4.285 2.512 -17.367 1.00 10.00 H new ATOM 0 HA LEU A 50 4.443 4.546 -15.269 1.00 10.00 H new ATOM 0 HB2 LEU A 50 2.289 4.019 -16.230 1.00 10.00 H new ATOM 0 HB3 LEU A 50 2.545 2.297 -16.025 1.00 10.00 H new ATOM 0 HG LEU A 50 2.549 2.620 -13.561 1.00 10.00 H new ATOM 0 HD11 LEU A 50 1.589 4.685 -12.586 1.00 10.00 H new ATOM 0 HD12 LEU A 50 3.149 4.979 -13.390 1.00 10.00 H new ATOM 0 HD13 LEU A 50 1.632 5.447 -14.194 1.00 10.00 H new ATOM 0 HD21 LEU A 50 0.062 2.995 -13.385 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.067 3.649 -15.040 1.00 10.00 H new ATOM 0 HD23 LEU A 50 0.475 1.940 -14.757 1.00 10.00 H new ATOM 810 N LYS A 51 5.427 3.167 -13.389 1.00 10.00 N ATOM 811 CA LYS A 51 6.062 2.414 -12.306 1.00 10.00 C ATOM 812 C LYS A 51 5.459 2.800 -10.955 1.00 10.00 C ATOM 813 O LYS A 51 5.240 3.973 -10.660 1.00 10.00 O ATOM 814 CB LYS A 51 7.581 2.661 -12.366 1.00 10.00 C ATOM 815 CG LYS A 51 8.423 1.751 -11.452 1.00 10.00 C ATOM 816 CD LYS A 51 8.273 0.237 -11.704 1.00 10.00 C ATOM 817 CE LYS A 51 8.430 -0.172 -13.176 1.00 10.00 C ATOM 818 NZ LYS A 51 9.784 0.110 -13.706 1.00 10.00 N ATOM 0 H LYS A 51 5.409 4.174 -13.230 1.00 10.00 H new ATOM 0 HA LYS A 51 5.880 1.346 -12.427 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.916 2.528 -13.395 1.00 10.00 H new ATOM 0 HB3 LYS A 51 7.776 3.700 -12.099 1.00 10.00 H new ATOM 0 HG2 LYS A 51 9.473 2.019 -11.569 1.00 10.00 H new ATOM 0 HG3 LYS A 51 8.155 1.958 -10.416 1.00 10.00 H new ATOM 0 HD2 LYS A 51 9.016 -0.295 -11.109 1.00 10.00 H new ATOM 0 HD3 LYS A 51 7.293 -0.084 -11.351 1.00 10.00 H new ATOM 0 HE2 LYS A 51 8.219 -1.237 -13.278 1.00 10.00 H new ATOM 0 HE3 LYS A 51 7.691 0.358 -13.777 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 9.840 -0.200 -14.697 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 9.972 1.131 -13.652 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 10.491 -0.403 -13.142 1.00 10.00 H new ATOM 832 N VAL A 52 5.219 1.787 -10.124 1.00 10.00 N ATOM 833 CA VAL A 52 4.825 1.920 -8.722 1.00 10.00 C ATOM 834 C VAL A 52 5.638 0.913 -7.911 1.00 10.00 C ATOM 835 O VAL A 52 5.840 -0.217 -8.358 1.00 10.00 O ATOM 836 CB VAL A 52 3.295 1.768 -8.543 1.00 10.00 C ATOM 837 CG1 VAL A 52 2.715 0.486 -9.161 1.00 10.00 C ATOM 838 CG2 VAL A 52 2.863 1.836 -7.071 1.00 10.00 C ATOM 0 H VAL A 52 5.297 0.814 -10.420 1.00 10.00 H new ATOM 0 HA VAL A 52 5.045 2.922 -8.353 1.00 10.00 H new ATOM 0 HB VAL A 52 2.888 2.621 -9.087 1.00 10.00 H new ATOM 0 HG11 VAL A 52 1.639 0.455 -8.992 1.00 10.00 H new ATOM 0 HG12 VAL A 52 2.915 0.476 -10.232 1.00 10.00 H new ATOM 0 HG13 VAL A 52 3.180 -0.384 -8.697 1.00 10.00 H new ATOM 0 HG21 VAL A 52 1.781 1.724 -7.004 1.00 10.00 H new ATOM 0 HG22 VAL A 52 3.346 1.034 -6.513 1.00 10.00 H new ATOM 0 HG23 VAL A 52 3.155 2.798 -6.650 1.00 10.00 H new ATOM 848 N ASP A 53 6.109 1.329 -6.736 1.00 10.00 N ATOM 849 CA ASP A 53 6.886 0.493 -5.826 1.00 10.00 C ATOM 850 C ASP A 53 6.482 0.737 -4.369 1.00 10.00 C ATOM 851 O ASP A 53 6.066 1.834 -3.991 1.00 10.00 O ATOM 852 CB ASP A 53 8.395 0.677 -6.037 1.00 10.00 C ATOM 853 CG ASP A 53 9.191 -0.350 -5.225 1.00 10.00 C ATOM 854 OD1 ASP A 53 8.658 -1.473 -5.050 1.00 10.00 O ATOM 855 OD2 ASP A 53 10.290 0.014 -4.757 1.00 10.00 O ATOM 0 H ASP A 53 5.958 2.275 -6.385 1.00 10.00 H new ATOM 0 HA ASP A 53 6.658 -0.547 -6.059 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.633 0.573 -7.096 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.687 1.685 -5.742 1.00 10.00 H new ATOM 860 N ILE A 54 6.543 -0.335 -3.579 1.00 10.00 N ATOM 861 CA ILE A 54 5.991 -0.407 -2.231 1.00 10.00 C ATOM 862 C ILE A 54 7.031 -1.003 -1.278 1.00 10.00 C ATOM 863 O ILE A 54 7.454 -2.143 -1.451 1.00 10.00 O ATOM 864 CB ILE A 54 4.680 -1.229 -2.263 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.665 -0.635 -3.276 1.00 10.00 C ATOM 866 CG2 ILE A 54 4.076 -1.295 -0.854 1.00 10.00 C ATOM 867 CD1 ILE A 54 2.280 -1.290 -3.291 1.00 10.00 C ATOM 0 H ILE A 54 6.992 -1.203 -3.871 1.00 10.00 H new ATOM 0 HA ILE A 54 5.750 0.590 -1.862 1.00 10.00 H new ATOM 0 HB ILE A 54 4.913 -2.241 -2.596 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.542 0.426 -3.059 1.00 10.00 H new ATOM 0 HG13 ILE A 54 4.092 -0.709 -4.276 1.00 10.00 H new ATOM 0 HG21 ILE A 54 3.153 -1.874 -0.881 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.784 -1.772 -0.176 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.861 -0.286 -0.503 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.653 -0.798 -4.034 1.00 10.00 H new ATOM 0 HD12 ILE A 54 2.380 -2.346 -3.543 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.821 -1.193 -2.307 1.00 10.00 H new ATOM 879 N SER A 55 7.386 -0.260 -0.226 1.00 10.00 N ATOM 880 CA SER A 55 8.220 -0.739 0.880 1.00 10.00 C ATOM 881 C SER A 55 7.477 -0.523 2.197 1.00 10.00 C ATOM 882 O SER A 55 7.050 0.593 2.482 1.00 10.00 O ATOM 883 CB SER A 55 9.550 0.020 0.892 1.00 10.00 C ATOM 884 OG SER A 55 10.333 -0.357 -0.222 1.00 10.00 O ATOM 0 H SER A 55 7.096 0.712 -0.117 1.00 10.00 H new ATOM 0 HA SER A 55 8.426 -1.802 0.753 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.365 1.094 0.870 1.00 10.00 H new ATOM 0 HB3 SER A 55 10.090 -0.192 1.815 1.00 10.00 H new ATOM 0 HG SER A 55 11.181 0.134 -0.207 1.00 10.00 H new ATOM 890 N ALA A 56 7.313 -1.584 2.992 1.00 10.00 N ATOM 891 CA ALA A 56 6.673 -1.528 4.305 1.00 10.00 C ATOM 892 C ALA A 56 7.526 -2.240 5.362 1.00 10.00 C ATOM 893 O ALA A 56 8.142 -3.268 5.081 1.00 10.00 O ATOM 894 CB ALA A 56 5.264 -2.129 4.206 1.00 10.00 C ATOM 0 H ALA A 56 7.627 -2.520 2.735 1.00 10.00 H new ATOM 0 HA ALA A 56 6.585 -0.489 4.623 1.00 10.00 H new ATOM 0 HB1 ALA A 56 4.782 -2.090 5.183 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.675 -1.559 3.488 1.00 10.00 H new ATOM 0 HB3 ALA A 56 5.333 -3.166 3.877 1.00 10.00 H new ATOM 900 N GLU A 57 7.510 -1.714 6.587 1.00 10.00 N ATOM 901 CA GLU A 57 8.237 -2.232 7.744 1.00 10.00 C ATOM 902 C GLU A 57 7.299 -2.343 8.948 1.00 10.00 C ATOM 903 O GLU A 57 6.450 -1.479 9.176 1.00 10.00 O ATOM 904 CB GLU A 57 9.399 -1.295 8.103 1.00 10.00 C ATOM 905 CG GLU A 57 10.556 -1.348 7.103 1.00 10.00 C ATOM 906 CD GLU A 57 11.567 -0.211 7.309 1.00 10.00 C ATOM 907 OE1 GLU A 57 12.148 -0.143 8.419 1.00 10.00 O ATOM 908 OE2 GLU A 57 11.775 0.562 6.349 1.00 10.00 O ATOM 0 H GLU A 57 6.967 -0.880 6.808 1.00 10.00 H new ATOM 0 HA GLU A 57 8.628 -3.218 7.491 1.00 10.00 H new ATOM 0 HB2 GLU A 57 9.026 -0.272 8.162 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.773 -1.555 9.093 1.00 10.00 H new ATOM 0 HG2 GLU A 57 11.068 -2.306 7.196 1.00 10.00 H new ATOM 0 HG3 GLU A 57 10.158 -1.296 6.090 1.00 10.00 H new ATOM 915 N LEU A 58 7.502 -3.406 9.733 1.00 10.00 N ATOM 916 CA LEU A 58 6.709 -3.776 10.903 1.00 10.00 C ATOM 917 C LEU A 58 7.642 -3.796 12.111 1.00 10.00 C ATOM 918 O LEU A 58 8.452 -4.714 12.252 1.00 10.00 O ATOM 919 CB LEU A 58 6.076 -5.172 10.689 1.00 10.00 C ATOM 920 CG LEU A 58 4.684 -5.222 10.039 1.00 10.00 C ATOM 921 CD1 LEU A 58 3.603 -4.786 11.026 1.00 10.00 C ATOM 922 CD2 LEU A 58 4.577 -4.416 8.744 1.00 10.00 C ATOM 0 H LEU A 58 8.263 -4.063 9.558 1.00 10.00 H new ATOM 0 HA LEU A 58 5.903 -3.060 11.063 1.00 10.00 H new ATOM 0 HB2 LEU A 58 6.757 -5.761 10.074 1.00 10.00 H new ATOM 0 HB3 LEU A 58 6.014 -5.666 11.658 1.00 10.00 H new ATOM 0 HG LEU A 58 4.526 -6.265 9.765 1.00 10.00 H new ATOM 0 HD11 LEU A 58 2.628 -4.831 10.541 1.00 10.00 H new ATOM 0 HD12 LEU A 58 3.609 -5.451 11.890 1.00 10.00 H new ATOM 0 HD13 LEU A 58 3.799 -3.765 11.353 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.566 -4.500 8.346 1.00 10.00 H new ATOM 0 HD22 LEU A 58 4.801 -3.369 8.948 1.00 10.00 H new ATOM 0 HD23 LEU A 58 5.288 -4.804 8.014 1.00 10.00 H new ATOM 934 N TYR A 59 7.517 -2.799 12.988 1.00 10.00 N ATOM 935 CA TYR A 59 8.275 -2.744 14.229 1.00 10.00 C ATOM 936 C TYR A 59 7.362 -3.227 15.358 1.00 10.00 C ATOM 937 O TYR A 59 6.354 -2.600 15.673 1.00 10.00 O ATOM 938 CB TYR A 59 8.859 -1.337 14.419 1.00 10.00 C ATOM 939 CG TYR A 59 9.969 -1.040 13.421 1.00 10.00 C ATOM 940 CD1 TYR A 59 11.287 -1.450 13.712 1.00 10.00 C ATOM 941 CD2 TYR A 59 9.693 -0.416 12.185 1.00 10.00 C ATOM 942 CE1 TYR A 59 12.317 -1.253 12.774 1.00 10.00 C ATOM 943 CE2 TYR A 59 10.725 -0.202 11.254 1.00 10.00 C ATOM 944 CZ TYR A 59 12.037 -0.643 11.533 1.00 10.00 C ATOM 945 OH TYR A 59 13.025 -0.525 10.605 1.00 10.00 O ATOM 0 H TYR A 59 6.886 -2.009 12.854 1.00 10.00 H new ATOM 0 HA TYR A 59 9.141 -3.406 14.219 1.00 10.00 H new ATOM 0 HB2 TYR A 59 8.066 -0.598 14.309 1.00 10.00 H new ATOM 0 HB3 TYR A 59 9.248 -1.240 15.433 1.00 10.00 H new ATOM 0 HD1 TYR A 59 11.507 -1.918 14.660 1.00 10.00 H new ATOM 0 HD2 TYR A 59 8.686 -0.102 11.954 1.00 10.00 H new ATOM 0 HE1 TYR A 59 13.324 -1.569 13.004 1.00 10.00 H new ATOM 0 HE2 TYR A 59 10.513 0.301 10.322 1.00 10.00 H new ATOM 0 HH TYR A 59 12.667 -0.737 9.718 1.00 10.00 H new ATOM 955 N LEU A 60 7.706 -4.384 15.929 1.00 10.00 N ATOM 956 CA LEU A 60 6.937 -5.124 16.932 1.00 10.00 C ATOM 957 C LEU A 60 7.670 -5.130 18.273 1.00 10.00 C ATOM 958 O LEU A 60 8.897 -5.036 18.315 1.00 10.00 O ATOM 959 CB LEU A 60 6.714 -6.569 16.441 1.00 10.00 C ATOM 960 CG LEU A 60 5.566 -6.696 15.426 1.00 10.00 C ATOM 961 CD1 LEU A 60 5.663 -8.017 14.660 1.00 10.00 C ATOM 962 CD2 LEU A 60 4.215 -6.662 16.144 1.00 10.00 C ATOM 0 H LEU A 60 8.578 -4.856 15.690 1.00 10.00 H new ATOM 0 HA LEU A 60 5.973 -4.636 17.073 1.00 10.00 H new ATOM 0 HB2 LEU A 60 7.634 -6.937 15.987 1.00 10.00 H new ATOM 0 HB3 LEU A 60 6.504 -7.208 17.298 1.00 10.00 H new ATOM 0 HG LEU A 60 5.646 -5.859 14.732 1.00 10.00 H new ATOM 0 HD11 LEU A 60 4.841 -8.086 13.948 1.00 10.00 H new ATOM 0 HD12 LEU A 60 6.612 -8.058 14.125 1.00 10.00 H new ATOM 0 HD13 LEU A 60 5.606 -8.849 15.361 1.00 10.00 H new ATOM 0 HD21 LEU A 60 3.412 -6.753 15.413 1.00 10.00 H new ATOM 0 HD22 LEU A 60 4.158 -7.490 16.851 1.00 10.00 H new ATOM 0 HD23 LEU A 60 4.112 -5.719 16.681 1.00 10.00 H new ATOM 974 N ASP A 61 6.909 -5.226 19.366 1.00 10.00 N ATOM 975 CA ASP A 61 7.492 -5.322 20.704 1.00 10.00 C ATOM 976 C ASP A 61 8.260 -6.643 20.879 1.00 10.00 C ATOM 977 O ASP A 61 7.852 -7.684 20.360 1.00 10.00 O ATOM 978 CB ASP A 61 6.398 -5.150 21.770 1.00 10.00 C ATOM 979 CG ASP A 61 6.968 -5.024 23.189 1.00 10.00 C ATOM 980 OD1 ASP A 61 8.168 -4.683 23.314 1.00 10.00 O ATOM 981 OD2 ASP A 61 6.193 -5.278 24.136 1.00 10.00 O ATOM 0 H ASP A 61 5.889 -5.239 19.350 1.00 10.00 H new ATOM 0 HA ASP A 61 8.215 -4.516 20.831 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.808 -4.263 21.540 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.720 -6.002 21.730 1.00 10.00 H new ATOM 986 N GLU A 62 9.338 -6.622 21.672 1.00 10.00 N ATOM 987 CA GLU A 62 10.213 -7.771 21.988 1.00 10.00 C ATOM 988 C GLU A 62 9.525 -8.840 22.876 1.00 10.00 C ATOM 989 O GLU A 62 10.171 -9.590 23.607 1.00 10.00 O ATOM 990 CB GLU A 62 11.530 -7.264 22.611 1.00 10.00 C ATOM 991 CG GLU A 62 12.332 -6.364 21.657 1.00 10.00 C ATOM 992 CD GLU A 62 13.724 -6.053 22.224 1.00 10.00 C ATOM 993 OE1 GLU A 62 13.836 -5.065 22.983 1.00 10.00 O ATOM 994 OE2 GLU A 62 14.666 -6.810 21.893 1.00 10.00 O ATOM 0 H GLU A 62 9.643 -5.766 22.135 1.00 10.00 H new ATOM 0 HA GLU A 62 10.436 -8.282 21.052 1.00 10.00 H new ATOM 0 HB2 GLU A 62 11.306 -6.711 23.523 1.00 10.00 H new ATOM 0 HB3 GLU A 62 12.143 -8.118 22.899 1.00 10.00 H new ATOM 0 HG2 GLU A 62 12.432 -6.855 20.689 1.00 10.00 H new ATOM 0 HG3 GLU A 62 11.789 -5.434 21.488 1.00 10.00 H new ATOM 1001 N LEU A 63 8.192 -8.885 22.816 1.00 10.00 N ATOM 1002 CA LEU A 63 7.265 -9.702 23.592 1.00 10.00 C ATOM 1003 C LEU A 63 6.105 -10.240 22.722 1.00 10.00 C ATOM 1004 O LEU A 63 5.181 -10.845 23.265 1.00 10.00 O ATOM 1005 CB LEU A 63 6.728 -8.848 24.759 1.00 10.00 C ATOM 1006 CG LEU A 63 7.769 -8.449 25.826 1.00 10.00 C ATOM 1007 CD1 LEU A 63 7.140 -7.490 26.839 1.00 10.00 C ATOM 1008 CD2 LEU A 63 8.296 -9.667 26.595 1.00 10.00 C ATOM 0 H LEU A 63 7.689 -8.291 22.157 1.00 10.00 H new ATOM 0 HA LEU A 63 7.793 -10.575 23.977 1.00 10.00 H new ATOM 0 HB2 LEU A 63 6.288 -7.939 24.348 1.00 10.00 H new ATOM 0 HB3 LEU A 63 5.924 -9.398 25.249 1.00 10.00 H new ATOM 0 HG LEU A 63 8.597 -7.974 25.300 1.00 10.00 H new ATOM 0 HD11 LEU A 63 7.882 -7.214 27.588 1.00 10.00 H new ATOM 0 HD12 LEU A 63 6.793 -6.594 26.325 1.00 10.00 H new ATOM 0 HD13 LEU A 63 6.296 -7.978 27.327 1.00 10.00 H new ATOM 0 HD21 LEU A 63 9.026 -9.341 27.336 1.00 10.00 H new ATOM 0 HD22 LEU A 63 7.468 -10.167 27.097 1.00 10.00 H new ATOM 0 HD23 LEU A 63 8.769 -10.360 25.899 1.00 10.00 H new ATOM 1020 N SER A 64 6.147 -10.050 21.392 1.00 10.00 N ATOM 1021 CA SER A 64 5.192 -10.648 20.447 1.00 10.00 C ATOM 1022 C SER A 64 5.879 -11.263 19.215 1.00 10.00 C ATOM 1023 O SER A 64 7.030 -10.962 18.908 1.00 10.00 O ATOM 1024 CB SER A 64 4.119 -9.628 20.031 1.00 10.00 C ATOM 1025 OG SER A 64 3.097 -10.357 19.370 1.00 10.00 O ATOM 0 H SER A 64 6.854 -9.470 20.939 1.00 10.00 H new ATOM 0 HA SER A 64 4.704 -11.469 20.972 1.00 10.00 H new ATOM 0 HB2 SER A 64 3.721 -9.108 20.902 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.541 -8.869 19.372 1.00 10.00 H new ATOM 0 HG SER A 64 2.246 -9.880 19.458 1.00 10.00 H new ATOM 1031 N ASP A 65 5.136 -12.114 18.500 1.00 10.00 N ATOM 1032 CA ASP A 65 5.574 -12.947 17.382 1.00 10.00 C ATOM 1033 C ASP A 65 4.426 -13.055 16.362 1.00 10.00 C ATOM 1034 O ASP A 65 3.531 -13.892 16.483 1.00 10.00 O ATOM 1035 CB ASP A 65 5.976 -14.346 17.888 1.00 10.00 C ATOM 1036 CG ASP A 65 7.288 -14.360 18.673 1.00 10.00 C ATOM 1037 OD1 ASP A 65 8.347 -14.315 18.007 1.00 10.00 O ATOM 1038 OD2 ASP A 65 7.219 -14.476 19.918 1.00 10.00 O ATOM 0 H ASP A 65 4.145 -12.246 18.703 1.00 10.00 H new ATOM 0 HA ASP A 65 6.443 -12.495 16.905 1.00 10.00 H new ATOM 0 HB2 ASP A 65 5.179 -14.737 18.521 1.00 10.00 H new ATOM 0 HB3 ASP A 65 6.065 -15.020 17.036 1.00 10.00 H new ATOM 1043 N ALA A 66 4.455 -12.181 15.354 1.00 10.00 N ATOM 1044 CA ALA A 66 3.558 -12.218 14.196 1.00 10.00 C ATOM 1045 C ALA A 66 3.992 -13.273 13.150 1.00 10.00 C ATOM 1046 O ALA A 66 5.008 -13.952 13.311 1.00 10.00 O ATOM 1047 CB ALA A 66 3.508 -10.804 13.601 1.00 10.00 C ATOM 0 H ALA A 66 5.120 -11.408 15.319 1.00 10.00 H new ATOM 0 HA ALA A 66 2.561 -12.525 14.513 1.00 10.00 H new ATOM 0 HB1 ALA A 66 2.847 -10.797 12.734 1.00 10.00 H new ATOM 0 HB2 ALA A 66 3.132 -10.107 14.350 1.00 10.00 H new ATOM 0 HB3 ALA A 66 4.510 -10.502 13.295 1.00 10.00 H new ATOM 1053 N ASP A 67 3.266 -13.377 12.030 1.00 10.00 N ATOM 1054 CA ASP A 67 3.444 -14.479 11.080 1.00 10.00 C ATOM 1055 C ASP A 67 4.580 -14.182 10.071 1.00 10.00 C ATOM 1056 O ASP A 67 4.741 -13.031 9.645 1.00 10.00 O ATOM 1057 CB ASP A 67 2.144 -14.672 10.276 1.00 10.00 C ATOM 1058 CG ASP A 67 0.906 -14.945 11.136 1.00 10.00 C ATOM 1059 OD1 ASP A 67 0.520 -14.025 11.892 1.00 10.00 O ATOM 1060 OD2 ASP A 67 0.339 -16.050 10.989 1.00 10.00 O ATOM 0 H ASP A 67 2.546 -12.707 11.760 1.00 10.00 H new ATOM 0 HA ASP A 67 3.696 -15.371 11.653 1.00 10.00 H new ATOM 0 HB2 ASP A 67 1.966 -13.780 9.676 1.00 10.00 H new ATOM 0 HB3 ASP A 67 2.280 -15.501 9.582 1.00 10.00 H new ATOM 1065 N PRO A 68 5.351 -15.212 9.643 1.00 10.00 N ATOM 1066 CA PRO A 68 6.577 -15.099 8.830 1.00 10.00 C ATOM 1067 C PRO A 68 6.319 -14.756 7.344 1.00 10.00 C ATOM 1068 O PRO A 68 6.849 -15.385 6.430 1.00 10.00 O ATOM 1069 CB PRO A 68 7.313 -16.430 9.043 1.00 10.00 C ATOM 1070 CG PRO A 68 6.169 -17.422 9.220 1.00 10.00 C ATOM 1071 CD PRO A 68 5.163 -16.608 10.030 1.00 10.00 C ATOM 0 HA PRO A 68 7.185 -14.252 9.148 1.00 10.00 H new ATOM 0 HB2 PRO A 68 7.942 -16.686 8.190 1.00 10.00 H new ATOM 0 HB3 PRO A 68 7.961 -16.399 9.919 1.00 10.00 H new ATOM 0 HG2 PRO A 68 5.757 -17.744 8.264 1.00 10.00 H new ATOM 0 HG3 PRO A 68 6.487 -18.321 9.749 1.00 10.00 H new ATOM 0 HD2 PRO A 68 4.144 -16.934 9.823 1.00 10.00 H new ATOM 0 HD3 PRO A 68 5.329 -16.740 11.099 1.00 10.00 H new ATOM 1079 N GLY A 69 5.475 -13.750 7.124 1.00 10.00 N ATOM 1080 CA GLY A 69 5.114 -13.166 5.831 1.00 10.00 C ATOM 1081 C GLY A 69 4.069 -12.040 5.910 1.00 10.00 C ATOM 1082 O GLY A 69 3.556 -11.625 4.874 1.00 10.00 O ATOM 0 H GLY A 69 4.992 -13.289 7.895 1.00 10.00 H new ATOM 0 HA2 GLY A 69 6.015 -12.776 5.358 1.00 10.00 H new ATOM 0 HA3 GLY A 69 4.731 -13.955 5.184 1.00 10.00 H new ATOM 1086 N ILE A 70 3.704 -11.552 7.110 1.00 10.00 N ATOM 1087 CA ILE A 70 2.567 -10.636 7.295 1.00 10.00 C ATOM 1088 C ILE A 70 2.752 -9.277 6.600 1.00 10.00 C ATOM 1089 O ILE A 70 1.774 -8.647 6.200 1.00 10.00 O ATOM 1090 CB ILE A 70 2.275 -10.513 8.811 1.00 10.00 C ATOM 1091 CG1 ILE A 70 0.772 -10.354 9.100 1.00 10.00 C ATOM 1092 CG2 ILE A 70 3.048 -9.388 9.531 1.00 10.00 C ATOM 1093 CD1 ILE A 70 0.410 -11.099 10.389 1.00 10.00 C ATOM 0 H ILE A 70 4.190 -11.782 7.977 1.00 10.00 H new ATOM 0 HA ILE A 70 1.694 -11.059 6.798 1.00 10.00 H new ATOM 0 HB ILE A 70 2.635 -11.458 9.218 1.00 10.00 H new ATOM 0 HG12 ILE A 70 0.521 -9.298 9.197 1.00 10.00 H new ATOM 0 HG13 ILE A 70 0.189 -10.746 8.267 1.00 10.00 H new ATOM 0 HG21 ILE A 70 2.778 -9.380 10.587 1.00 10.00 H new ATOM 0 HG22 ILE A 70 4.120 -9.561 9.431 1.00 10.00 H new ATOM 0 HG23 ILE A 70 2.793 -8.427 9.084 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -0.655 -10.983 10.589 1.00 10.00 H new ATOM 0 HD12 ILE A 70 0.645 -12.157 10.276 1.00 10.00 H new ATOM 0 HD13 ILE A 70 0.982 -10.687 11.220 1.00 10.00 H new ATOM 1105 N VAL A 71 4.011 -8.855 6.425 1.00 10.00 N ATOM 1106 CA VAL A 71 4.412 -7.659 5.676 1.00 10.00 C ATOM 1107 C VAL A 71 4.191 -7.883 4.183 1.00 10.00 C ATOM 1108 O VAL A 71 3.512 -7.105 3.519 1.00 10.00 O ATOM 1109 CB VAL A 71 5.913 -7.367 5.882 1.00 10.00 C ATOM 1110 CG1 VAL A 71 6.271 -5.987 5.325 1.00 10.00 C ATOM 1111 CG2 VAL A 71 6.365 -7.484 7.341 1.00 10.00 C ATOM 0 H VAL A 71 4.808 -9.357 6.817 1.00 10.00 H new ATOM 0 HA VAL A 71 3.812 -6.824 6.038 1.00 10.00 H new ATOM 0 HB VAL A 71 6.451 -8.138 5.330 1.00 10.00 H new ATOM 0 HG11 VAL A 71 7.333 -5.797 5.479 1.00 10.00 H new ATOM 0 HG12 VAL A 71 6.047 -5.956 4.259 1.00 10.00 H new ATOM 0 HG13 VAL A 71 5.688 -5.224 5.841 1.00 10.00 H new ATOM 0 HG21 VAL A 71 7.431 -7.265 7.410 1.00 10.00 H new ATOM 0 HG22 VAL A 71 5.808 -6.774 7.952 1.00 10.00 H new ATOM 0 HG23 VAL A 71 6.178 -8.496 7.700 1.00 10.00 H new ATOM 1121 N ASP A 72 4.766 -8.975 3.679 1.00 10.00 N ATOM 1122 CA ASP A 72 4.723 -9.425 2.294 1.00 10.00 C ATOM 1123 C ASP A 72 3.276 -9.580 1.828 1.00 10.00 C ATOM 1124 O ASP A 72 2.917 -9.065 0.771 1.00 10.00 O ATOM 1125 CB ASP A 72 5.491 -10.758 2.173 1.00 10.00 C ATOM 1126 CG ASP A 72 6.836 -10.752 2.915 1.00 10.00 C ATOM 1127 OD1 ASP A 72 6.798 -10.707 4.170 1.00 10.00 O ATOM 1128 OD2 ASP A 72 7.876 -10.780 2.222 1.00 10.00 O ATOM 0 H ASP A 72 5.308 -9.607 4.268 1.00 10.00 H new ATOM 0 HA ASP A 72 5.198 -8.683 1.652 1.00 10.00 H new ATOM 0 HB2 ASP A 72 4.871 -11.564 2.565 1.00 10.00 H new ATOM 0 HB3 ASP A 72 5.666 -10.975 1.119 1.00 10.00 H new ATOM 1133 N GLU A 73 2.426 -10.199 2.659 1.00 10.00 N ATOM 1134 CA GLU A 73 0.986 -10.288 2.425 1.00 10.00 C ATOM 1135 C GLU A 73 0.294 -8.915 2.452 1.00 10.00 C ATOM 1136 O GLU A 73 -0.622 -8.705 1.660 1.00 10.00 O ATOM 1137 CB GLU A 73 0.330 -11.215 3.458 1.00 10.00 C ATOM 1138 CG GLU A 73 0.711 -12.697 3.308 1.00 10.00 C ATOM 1139 CD GLU A 73 -0.044 -13.568 4.322 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -0.096 -13.189 5.518 1.00 10.00 O ATOM 1141 OE2 GLU A 73 -0.626 -14.594 3.916 1.00 10.00 O ATOM 0 H GLU A 73 2.726 -10.655 3.520 1.00 10.00 H new ATOM 0 HA GLU A 73 0.859 -10.700 1.424 1.00 10.00 H new ATOM 0 HB2 GLU A 73 0.607 -10.880 4.458 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -0.753 -11.120 3.378 1.00 10.00 H new ATOM 0 HG2 GLU A 73 0.485 -13.033 2.296 1.00 10.00 H new ATOM 0 HG3 GLU A 73 1.785 -12.816 3.451 1.00 10.00 H new ATOM 1148 N ALA A 74 0.720 -7.960 3.298 1.00 10.00 N ATOM 1149 CA ALA A 74 0.125 -6.615 3.293 1.00 10.00 C ATOM 1150 C ALA A 74 0.470 -5.857 2.002 1.00 10.00 C ATOM 1151 O ALA A 74 -0.379 -5.199 1.396 1.00 10.00 O ATOM 1152 CB ALA A 74 0.602 -5.822 4.520 1.00 10.00 C ATOM 0 H ALA A 74 1.463 -8.093 3.984 1.00 10.00 H new ATOM 0 HA ALA A 74 -0.959 -6.724 3.337 1.00 10.00 H new ATOM 0 HB1 ALA A 74 0.156 -4.828 4.507 1.00 10.00 H new ATOM 0 HB2 ALA A 74 0.301 -6.343 5.429 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.688 -5.733 4.496 1.00 10.00 H new ATOM 1158 N VAL A 75 1.729 -5.981 1.576 1.00 10.00 N ATOM 1159 CA VAL A 75 2.281 -5.379 0.363 1.00 10.00 C ATOM 1160 C VAL A 75 1.664 -6.010 -0.898 1.00 10.00 C ATOM 1161 O VAL A 75 1.185 -5.281 -1.763 1.00 10.00 O ATOM 1162 CB VAL A 75 3.817 -5.488 0.451 1.00 10.00 C ATOM 1163 CG1 VAL A 75 4.512 -5.202 -0.876 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.352 -4.508 1.508 1.00 10.00 C ATOM 0 H VAL A 75 2.420 -6.527 2.090 1.00 10.00 H new ATOM 0 HA VAL A 75 2.024 -4.323 0.283 1.00 10.00 H new ATOM 0 HB VAL A 75 4.038 -6.519 0.727 1.00 10.00 H new ATOM 0 HG11 VAL A 75 5.591 -5.294 -0.749 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.172 -5.916 -1.626 1.00 10.00 H new ATOM 0 HG13 VAL A 75 4.271 -4.191 -1.203 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.437 -4.591 1.565 1.00 10.00 H new ATOM 0 HG22 VAL A 75 4.080 -3.490 1.231 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.919 -4.748 2.479 1.00 10.00 H new ATOM 1174 N ASP A 76 1.548 -7.342 -0.961 1.00 10.00 N ATOM 1175 CA ASP A 76 0.808 -8.095 -1.982 1.00 10.00 C ATOM 1176 C ASP A 76 -0.673 -7.688 -2.016 1.00 10.00 C ATOM 1177 O ASP A 76 -1.210 -7.442 -3.098 1.00 10.00 O ATOM 1178 CB ASP A 76 0.968 -9.595 -1.668 1.00 10.00 C ATOM 1179 CG ASP A 76 0.044 -10.507 -2.475 1.00 10.00 C ATOM 1180 OD1 ASP A 76 -1.155 -10.584 -2.139 1.00 10.00 O ATOM 1181 OD2 ASP A 76 0.498 -11.166 -3.436 1.00 10.00 O ATOM 0 H ASP A 76 1.987 -7.952 -0.271 1.00 10.00 H new ATOM 0 HA ASP A 76 1.210 -7.874 -2.971 1.00 10.00 H new ATOM 0 HB2 ASP A 76 2.002 -9.886 -1.856 1.00 10.00 H new ATOM 0 HB3 ASP A 76 0.780 -9.754 -0.606 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.315 -7.521 -0.854 1.00 10.00 N ATOM 1187 CA ALA A 77 -2.695 -7.052 -0.790 1.00 10.00 C ATOM 1188 C ALA A 77 -2.823 -5.634 -1.361 1.00 10.00 C ATOM 1189 O ALA A 77 -3.746 -5.382 -2.133 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.217 -7.141 0.648 1.00 10.00 C ATOM 0 H ALA A 77 -0.894 -7.706 0.057 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.315 -7.699 -1.410 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.248 -6.788 0.683 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.176 -8.176 0.987 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.599 -6.522 1.298 1.00 10.00 H new ATOM 1196 N ALA A 78 -1.880 -4.729 -1.065 1.00 10.00 N ATOM 1197 CA ALA A 78 -1.821 -3.412 -1.698 1.00 10.00 C ATOM 1198 C ALA A 78 -1.562 -3.482 -3.213 1.00 10.00 C ATOM 1199 O ALA A 78 -2.220 -2.758 -3.959 1.00 10.00 O ATOM 1200 CB ALA A 78 -0.796 -2.544 -0.971 1.00 10.00 C ATOM 0 H ALA A 78 -1.141 -4.892 -0.382 1.00 10.00 H new ATOM 0 HA ALA A 78 -2.803 -2.948 -1.605 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.751 -1.562 -1.442 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.089 -2.433 0.073 1.00 10.00 H new ATOM 0 HB3 ALA A 78 0.185 -3.017 -1.024 1.00 10.00 H new ATOM 1206 N TYR A 79 -0.690 -4.380 -3.693 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.505 -4.598 -5.132 1.00 10.00 C ATOM 1208 C TYR A 79 -1.790 -5.102 -5.818 1.00 10.00 C ATOM 1209 O TYR A 79 -2.171 -4.555 -6.853 1.00 10.00 O ATOM 1210 CB TYR A 79 0.656 -5.575 -5.379 1.00 10.00 C ATOM 1211 CG TYR A 79 2.058 -5.018 -5.185 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.511 -3.973 -6.020 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.942 -5.604 -4.252 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.839 -3.508 -5.935 1.00 10.00 C ATOM 1215 CE2 TYR A 79 4.284 -5.171 -4.206 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.734 -4.119 -5.029 1.00 10.00 C ATOM 1217 OH TYR A 79 6.033 -3.721 -4.938 1.00 10.00 O ATOM 0 H TYR A 79 -0.101 -4.968 -3.103 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.262 -3.633 -5.577 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.532 -6.429 -4.713 1.00 10.00 H new ATOM 0 HB3 TYR A 79 0.575 -5.951 -6.399 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.833 -3.525 -6.731 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.594 -6.375 -3.581 1.00 10.00 H new ATOM 0 HE1 TYR A 79 4.170 -2.690 -6.558 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.976 -5.652 -3.531 1.00 10.00 H new ATOM 0 HH TYR A 79 6.493 -4.258 -4.259 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.525 -6.051 -5.215 1.00 10.00 N ATOM 1228 CA ARG A 80 -3.834 -6.495 -5.736 1.00 10.00 C ATOM 1229 C ARG A 80 -4.889 -5.386 -5.643 1.00 10.00 C ATOM 1230 O ARG A 80 -5.699 -5.217 -6.552 1.00 10.00 O ATOM 1231 CB ARG A 80 -4.315 -7.754 -4.999 1.00 10.00 C ATOM 1232 CG ARG A 80 -3.406 -8.966 -5.253 1.00 10.00 C ATOM 1233 CD ARG A 80 -3.902 -10.194 -4.479 1.00 10.00 C ATOM 1234 NE ARG A 80 -2.787 -11.108 -4.195 1.00 10.00 N ATOM 1235 CZ ARG A 80 -2.498 -12.293 -4.704 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -3.327 -12.946 -5.486 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -1.343 -12.840 -4.421 1.00 10.00 N ATOM 0 H ARG A 80 -2.235 -6.529 -4.362 1.00 10.00 H new ATOM 0 HA ARG A 80 -3.698 -6.736 -6.790 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -4.355 -7.552 -3.929 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -5.330 -7.992 -5.317 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -3.381 -9.189 -6.320 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -2.385 -8.729 -4.952 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -4.368 -9.879 -3.546 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -4.666 -10.712 -5.058 1.00 10.00 H new ATOM 0 HE ARG A 80 -2.129 -10.774 -3.491 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -4.233 -12.540 -5.721 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -3.065 -13.859 -5.858 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -0.682 -12.352 -3.816 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -1.104 -13.754 -4.805 1.00 10.00 H new ATOM 1251 N SER A 81 -4.842 -4.581 -4.578 1.00 10.00 N ATOM 1252 CA SER A 81 -5.697 -3.404 -4.399 1.00 10.00 C ATOM 1253 C SER A 81 -5.431 -2.356 -5.489 1.00 10.00 C ATOM 1254 O SER A 81 -6.374 -1.744 -5.983 1.00 10.00 O ATOM 1255 CB SER A 81 -5.462 -2.827 -2.998 1.00 10.00 C ATOM 1256 OG SER A 81 -6.483 -1.941 -2.602 1.00 10.00 O ATOM 0 H SER A 81 -4.197 -4.732 -3.802 1.00 10.00 H new ATOM 0 HA SER A 81 -6.742 -3.698 -4.493 1.00 10.00 H new ATOM 0 HB2 SER A 81 -5.394 -3.643 -2.279 1.00 10.00 H new ATOM 0 HB3 SER A 81 -4.505 -2.305 -2.979 1.00 10.00 H new ATOM 0 HG SER A 81 -6.291 -1.045 -2.948 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.177 -2.202 -5.942 1.00 10.00 N ATOM 1263 CA LEU A 82 -3.817 -1.358 -7.086 1.00 10.00 C ATOM 1264 C LEU A 82 -4.441 -1.863 -8.396 1.00 10.00 C ATOM 1265 O LEU A 82 -5.004 -1.066 -9.148 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.278 -1.270 -7.176 1.00 10.00 C ATOM 1267 CG LEU A 82 -1.663 -0.098 -7.973 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -1.499 -0.442 -9.455 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -2.425 1.227 -7.840 1.00 10.00 C ATOM 0 H LEU A 82 -3.376 -2.668 -5.516 1.00 10.00 H new ATOM 0 HA LEU A 82 -4.224 -0.359 -6.932 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -1.886 -1.224 -6.160 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -1.916 -2.199 -7.616 1.00 10.00 H new ATOM 0 HG LEU A 82 -0.684 0.051 -7.518 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -1.064 0.408 -9.980 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -0.843 -1.306 -9.557 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -2.474 -0.673 -9.885 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -1.925 1.995 -8.431 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -3.445 1.098 -8.201 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -2.446 1.531 -6.793 1.00 10.00 H new ATOM 1281 N GLU A 83 -4.407 -3.177 -8.659 1.00 10.00 N ATOM 1282 CA GLU A 83 -5.089 -3.746 -9.831 1.00 10.00 C ATOM 1283 C GLU A 83 -6.608 -3.518 -9.754 1.00 10.00 C ATOM 1284 O GLU A 83 -7.213 -3.070 -10.731 1.00 10.00 O ATOM 1285 CB GLU A 83 -4.805 -5.255 -9.942 1.00 10.00 C ATOM 1286 CG GLU A 83 -3.323 -5.591 -10.150 1.00 10.00 C ATOM 1287 CD GLU A 83 -3.107 -7.109 -10.147 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -3.155 -7.699 -9.042 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -2.909 -7.663 -11.252 1.00 10.00 O ATOM 0 H GLU A 83 -3.919 -3.861 -8.081 1.00 10.00 H new ATOM 0 HA GLU A 83 -4.702 -3.239 -10.715 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -5.157 -5.749 -9.036 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -5.381 -5.664 -10.772 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -2.979 -5.171 -11.095 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -2.727 -5.132 -9.362 1.00 10.00 H new ATOM 1296 N SER A 84 -7.197 -3.689 -8.561 1.00 10.00 N ATOM 1297 CA SER A 84 -8.610 -3.392 -8.300 1.00 10.00 C ATOM 1298 C SER A 84 -8.936 -1.901 -8.435 1.00 10.00 C ATOM 1299 O SER A 84 -10.033 -1.556 -8.863 1.00 10.00 O ATOM 1300 CB SER A 84 -9.006 -3.872 -6.902 1.00 10.00 C ATOM 1301 OG SER A 84 -8.908 -5.280 -6.824 1.00 10.00 O ATOM 0 H SER A 84 -6.699 -4.041 -7.743 1.00 10.00 H new ATOM 0 HA SER A 84 -9.184 -3.926 -9.057 1.00 10.00 H new ATOM 0 HB2 SER A 84 -8.358 -3.413 -6.155 1.00 10.00 H new ATOM 0 HB3 SER A 84 -10.025 -3.558 -6.677 1.00 10.00 H new ATOM 0 HG SER A 84 -7.966 -5.539 -6.748 1.00 10.00 H new ATOM 1307 N PHE A 85 -8.002 -1.000 -8.112 1.00 10.00 N ATOM 1308 CA PHE A 85 -8.189 0.438 -8.297 1.00 10.00 C ATOM 1309 C PHE A 85 -8.267 0.805 -9.782 1.00 10.00 C ATOM 1310 O PHE A 85 -9.145 1.578 -10.159 1.00 10.00 O ATOM 1311 CB PHE A 85 -7.042 1.182 -7.601 1.00 10.00 C ATOM 1312 CG PHE A 85 -7.144 2.696 -7.577 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -6.870 3.443 -8.738 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -7.448 3.366 -6.378 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -6.866 4.849 -8.690 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -7.439 4.770 -6.326 1.00 10.00 C ATOM 1317 CZ PHE A 85 -7.140 5.513 -7.480 1.00 10.00 C ATOM 0 H PHE A 85 -7.096 -1.250 -7.715 1.00 10.00 H new ATOM 0 HA PHE A 85 -9.137 0.736 -7.849 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -6.977 0.826 -6.573 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -6.108 0.909 -8.092 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -6.662 2.935 -9.668 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -7.690 2.798 -5.492 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -6.653 5.419 -9.582 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -7.662 5.278 -5.399 1.00 10.00 H new ATOM 0 HZ PHE A 85 -7.120 6.592 -7.439 1.00 10.00 H new ATOM 1327 N LEU A 86 -7.415 0.228 -10.646 1.00 10.00 N ATOM 1328 CA LEU A 86 -7.528 0.478 -12.088 1.00 10.00 C ATOM 1329 C LEU A 86 -8.751 -0.214 -12.690 1.00 10.00 C ATOM 1330 O LEU A 86 -9.370 0.368 -13.582 1.00 10.00 O ATOM 1331 CB LEU A 86 -6.271 0.048 -12.861 1.00 10.00 C ATOM 1332 CG LEU A 86 -5.090 1.043 -12.887 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -5.485 2.434 -13.398 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -4.406 1.193 -11.531 1.00 10.00 C ATOM 0 H LEU A 86 -6.658 -0.400 -10.377 1.00 10.00 H new ATOM 0 HA LEU A 86 -7.641 1.557 -12.190 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -5.915 -0.890 -12.434 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -6.561 -0.161 -13.891 1.00 10.00 H new ATOM 0 HG LEU A 86 -4.385 0.599 -13.590 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -4.611 3.086 -13.392 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -5.870 2.352 -14.415 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -6.255 2.854 -12.751 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -3.585 1.905 -11.614 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -5.127 1.555 -10.798 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -4.017 0.226 -11.211 1.00 10.00 H new