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 Single : A 7 THR OG1 : rot 34:sc= 0.212 USER MOD Single : A 15 SER OG : rot 100:sc= 1.19 USER MOD Single : A 16 SER OG : rot 138:sc= 0.996 USER MOD Single : A 19 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.0016) USER MOD Single : A 20 ASN : amide:sc= 1.17 K(o=1.2,f=-0.14) USER MOD Single : A 21 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= 1.26 (180deg=1.15) USER MOD Single : A 31 SER OG : rot 180:sc= 0.161 USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0212) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 13:sc= 1.22 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= 1.31 (180deg=1.13) USER MOD Single : A 55 SER OG : rot 100:sc= 1.18 USER MOD Single : A 59 TYR OH : rot 152:sc= 1.04 USER MOD Single : A 64 SER OG : rot -110:sc= 0 USER MOD Single : A 79 TYR OH : rot 133:sc= 1.08 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -30:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -3.211 13.027 -14.635 1.00 10.00 N ATOM 95 CA LEU A 6 -2.523 12.364 -13.533 1.00 10.00 C ATOM 96 C LEU A 6 -1.242 13.123 -13.179 1.00 10.00 C ATOM 97 O LEU A 6 -0.291 13.163 -13.960 1.00 10.00 O ATOM 98 CB LEU A 6 -2.214 10.897 -13.892 1.00 10.00 C ATOM 99 CG LEU A 6 -3.443 10.005 -14.163 1.00 10.00 C ATOM 100 CD1 LEU A 6 -2.973 8.589 -14.510 1.00 10.00 C ATOM 101 CD2 LEU A 6 -4.395 9.913 -12.967 1.00 10.00 C ATOM 0 HA LEU A 6 -3.175 12.365 -12.660 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -1.576 10.884 -14.776 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -1.639 10.456 -13.078 1.00 10.00 H new ATOM 0 HG LEU A 6 -3.988 10.464 -14.988 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -3.839 7.955 -14.702 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -2.343 8.622 -15.399 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -2.402 8.180 -13.676 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -5.239 9.271 -13.222 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -3.865 9.493 -12.112 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -4.760 10.909 -12.715 1.00 10.00 H new ATOM 113 N THR A 7 -1.244 13.729 -11.993 1.00 10.00 N ATOM 114 CA THR A 7 -0.131 14.493 -11.429 1.00 10.00 C ATOM 115 C THR A 7 0.036 14.166 -9.939 1.00 10.00 C ATOM 116 O THR A 7 -0.575 13.228 -9.430 1.00 10.00 O ATOM 117 CB THR A 7 -0.338 15.994 -11.722 1.00 10.00 C ATOM 118 OG1 THR A 7 0.826 16.722 -11.393 1.00 10.00 O ATOM 119 CG2 THR A 7 -1.517 16.634 -10.984 1.00 10.00 C ATOM 0 H THR A 7 -2.054 13.700 -11.373 1.00 10.00 H new ATOM 0 HA THR A 7 0.809 14.209 -11.902 1.00 10.00 H new ATOM 0 HB THR A 7 -0.560 16.040 -12.788 1.00 10.00 H new ATOM 0 HG1 THR A 7 1.617 16.173 -11.574 1.00 10.00 H new ATOM 0 HG21 THR A 7 -1.584 17.689 -11.251 1.00 10.00 H new ATOM 0 HG22 THR A 7 -2.441 16.128 -11.266 1.00 10.00 H new ATOM 0 HG23 THR A 7 -1.366 16.541 -9.908 1.00 10.00 H new ATOM 127 N GLU A 8 0.885 14.921 -9.240 1.00 10.00 N ATOM 128 CA GLU A 8 1.200 14.776 -7.814 1.00 10.00 C ATOM 129 C GLU A 8 -0.040 14.527 -6.930 1.00 10.00 C ATOM 130 O GLU A 8 0.004 13.628 -6.094 1.00 10.00 O ATOM 131 CB GLU A 8 2.061 15.989 -7.409 1.00 10.00 C ATOM 132 CG GLU A 8 2.257 16.225 -5.901 1.00 10.00 C ATOM 133 CD GLU A 8 1.399 17.387 -5.374 1.00 10.00 C ATOM 134 OE1 GLU A 8 0.232 17.503 -5.813 1.00 10.00 O ATOM 135 OE2 GLU A 8 1.937 18.174 -4.563 1.00 10.00 O ATOM 0 H GLU A 8 1.398 15.689 -9.673 1.00 10.00 H new ATOM 0 HA GLU A 8 1.777 13.867 -7.643 1.00 10.00 H new ATOM 0 HB2 GLU A 8 3.044 15.876 -7.866 1.00 10.00 H new ATOM 0 HB3 GLU A 8 1.611 16.884 -7.838 1.00 10.00 H new ATOM 0 HG2 GLU A 8 2.004 15.315 -5.358 1.00 10.00 H new ATOM 0 HG3 GLU A 8 3.308 16.434 -5.702 1.00 10.00 H new ATOM 142 N GLY A 9 -1.166 15.209 -7.179 1.00 10.00 N ATOM 143 CA GLY A 9 -2.420 14.983 -6.457 1.00 10.00 C ATOM 144 C GLY A 9 -3.015 13.584 -6.670 1.00 10.00 C ATOM 145 O GLY A 9 -3.280 12.882 -5.698 1.00 10.00 O ATOM 0 H GLY A 9 -1.230 15.936 -7.891 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -2.247 15.136 -5.392 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -3.149 15.729 -6.772 1.00 10.00 H new ATOM 149 N ASP A 10 -3.196 13.144 -7.923 1.00 10.00 N ATOM 150 CA ASP A 10 -3.718 11.809 -8.254 1.00 10.00 C ATOM 151 C ASP A 10 -2.765 10.704 -7.767 1.00 10.00 C ATOM 152 O ASP A 10 -3.189 9.670 -7.247 1.00 10.00 O ATOM 153 CB ASP A 10 -3.898 11.658 -9.776 1.00 10.00 C ATOM 154 CG ASP A 10 -4.450 12.905 -10.463 1.00 10.00 C ATOM 155 OD1 ASP A 10 -3.653 13.867 -10.567 1.00 10.00 O ATOM 156 OD2 ASP A 10 -5.611 12.858 -10.927 1.00 10.00 O ATOM 0 H ASP A 10 -2.982 13.710 -8.744 1.00 10.00 H new ATOM 0 HA ASP A 10 -4.680 11.707 -7.753 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -2.936 11.406 -10.222 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -4.569 10.821 -9.971 1.00 10.00 H new ATOM 161 N LEU A 11 -1.460 10.944 -7.936 1.00 10.00 N ATOM 162 CA LEU A 11 -0.390 10.077 -7.462 1.00 10.00 C ATOM 163 C LEU A 11 -0.329 9.982 -5.929 1.00 10.00 C ATOM 164 O LEU A 11 -0.097 8.878 -5.429 1.00 10.00 O ATOM 165 CB LEU A 11 0.937 10.493 -8.125 1.00 10.00 C ATOM 166 CG LEU A 11 1.150 9.962 -9.568 1.00 10.00 C ATOM 167 CD1 LEU A 11 -0.003 10.099 -10.572 1.00 10.00 C ATOM 168 CD2 LEU A 11 2.389 10.614 -10.189 1.00 10.00 C ATOM 0 H LEU A 11 -1.115 11.772 -8.421 1.00 10.00 H new ATOM 0 HA LEU A 11 -0.602 9.053 -7.770 1.00 10.00 H new ATOM 0 HB2 LEU A 11 0.989 11.582 -8.144 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.761 10.145 -7.502 1.00 10.00 H new ATOM 0 HG LEU A 11 1.249 8.889 -9.405 1.00 10.00 H new ATOM 0 HD11 LEU A 11 0.300 9.683 -11.533 1.00 10.00 H new ATOM 0 HD12 LEU A 11 -0.874 9.559 -10.201 1.00 10.00 H new ATOM 0 HD13 LEU A 11 -0.254 11.152 -10.696 1.00 10.00 H new ATOM 0 HD21 LEU A 11 2.531 10.235 -11.201 1.00 10.00 H new ATOM 0 HD22 LEU A 11 2.254 11.695 -10.221 1.00 10.00 H new ATOM 0 HD23 LEU A 11 3.266 10.376 -9.587 1.00 10.00 H new ATOM 180 N ASP A 12 -0.587 11.059 -5.173 1.00 10.00 N ATOM 181 CA ASP A 12 -0.785 10.974 -3.719 1.00 10.00 C ATOM 182 C ASP A 12 -2.100 10.258 -3.390 1.00 10.00 C ATOM 183 O ASP A 12 -2.076 9.336 -2.585 1.00 10.00 O ATOM 184 CB ASP A 12 -0.737 12.359 -3.053 1.00 10.00 C ATOM 185 CG ASP A 12 -0.918 12.314 -1.521 1.00 10.00 C ATOM 186 OD1 ASP A 12 -0.712 11.236 -0.907 1.00 10.00 O ATOM 187 OD2 ASP A 12 -1.258 13.378 -0.962 1.00 10.00 O ATOM 0 H ASP A 12 -0.664 12.005 -5.548 1.00 10.00 H new ATOM 0 HA ASP A 12 0.039 10.388 -3.312 1.00 10.00 H new ATOM 0 HB2 ASP A 12 0.218 12.831 -3.284 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -1.516 12.988 -3.484 1.00 10.00 H new ATOM 192 N GLU A 13 -3.221 10.566 -4.056 1.00 10.00 N ATOM 193 CA GLU A 13 -4.497 9.878 -3.796 1.00 10.00 C ATOM 194 C GLU A 13 -4.349 8.353 -3.937 1.00 10.00 C ATOM 195 O GLU A 13 -4.834 7.612 -3.084 1.00 10.00 O ATOM 196 CB GLU A 13 -5.592 10.403 -4.743 1.00 10.00 C ATOM 197 CG GLU A 13 -6.146 11.782 -4.352 1.00 10.00 C ATOM 198 CD GLU A 13 -7.259 11.675 -3.302 1.00 10.00 C ATOM 199 OE1 GLU A 13 -6.938 11.292 -2.155 1.00 10.00 O ATOM 200 OE2 GLU A 13 -8.422 11.965 -3.662 1.00 10.00 O ATOM 0 H GLU A 13 -3.272 11.285 -4.778 1.00 10.00 H new ATOM 0 HA GLU A 13 -4.790 10.091 -2.768 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -5.188 10.458 -5.754 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -6.413 9.686 -4.766 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -5.338 12.401 -3.962 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -6.532 12.283 -5.240 1.00 10.00 H new ATOM 207 N ILE A 14 -3.600 7.880 -4.944 1.00 10.00 N ATOM 208 CA ILE A 14 -3.232 6.463 -5.078 1.00 10.00 C ATOM 209 C ILE A 14 -2.221 6.023 -4.002 1.00 10.00 C ATOM 210 O ILE A 14 -2.431 5.002 -3.350 1.00 10.00 O ATOM 211 CB ILE A 14 -2.682 6.215 -6.503 1.00 10.00 C ATOM 212 CG1 ILE A 14 -3.824 6.353 -7.539 1.00 10.00 C ATOM 213 CG2 ILE A 14 -2.007 4.833 -6.627 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.349 6.438 -8.996 1.00 10.00 C ATOM 0 H ILE A 14 -3.232 8.471 -5.690 1.00 10.00 H new ATOM 0 HA ILE A 14 -4.124 5.856 -4.924 1.00 10.00 H new ATOM 0 HB ILE A 14 -1.919 6.967 -6.702 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.496 5.501 -7.437 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.404 7.246 -7.306 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -1.635 4.700 -7.643 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.176 4.770 -5.925 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -2.733 4.052 -6.401 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.212 6.533 -9.655 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -2.702 7.307 -9.118 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -2.795 5.535 -9.251 1.00 10.00 H new ATOM 226 N SER A 15 -1.130 6.768 -3.791 1.00 10.00 N ATOM 227 CA SER A 15 -0.041 6.353 -2.889 1.00 10.00 C ATOM 228 C SER A 15 -0.503 6.293 -1.432 1.00 10.00 C ATOM 229 O SER A 15 -0.261 5.309 -0.733 1.00 10.00 O ATOM 230 CB SER A 15 1.158 7.302 -3.007 1.00 10.00 C ATOM 231 OG SER A 15 1.603 7.363 -4.343 1.00 10.00 O ATOM 0 H SER A 15 -0.974 7.672 -4.237 1.00 10.00 H new ATOM 0 HA SER A 15 0.260 5.351 -3.195 1.00 10.00 H new ATOM 0 HB2 SER A 15 0.878 8.298 -2.664 1.00 10.00 H new ATOM 0 HB3 SER A 15 1.967 6.959 -2.362 1.00 10.00 H new ATOM 0 HG SER A 15 1.260 8.178 -4.765 1.00 10.00 H new ATOM 237 N SER A 16 -1.226 7.321 -0.990 1.00 10.00 N ATOM 238 CA SER A 16 -1.843 7.401 0.327 1.00 10.00 C ATOM 239 C SER A 16 -2.959 6.361 0.490 1.00 10.00 C ATOM 240 O SER A 16 -3.052 5.770 1.565 1.00 10.00 O ATOM 241 CB SER A 16 -2.322 8.835 0.599 1.00 10.00 C ATOM 242 OG SER A 16 -1.195 9.662 0.842 1.00 10.00 O ATOM 0 H SER A 16 -1.402 8.148 -1.561 1.00 10.00 H new ATOM 0 HA SER A 16 -1.095 7.157 1.081 1.00 10.00 H new ATOM 0 HB2 SER A 16 -2.887 9.211 -0.254 1.00 10.00 H new ATOM 0 HB3 SER A 16 -2.993 8.851 1.458 1.00 10.00 H new ATOM 0 HG SER A 16 -1.314 10.520 0.385 1.00 10.00 H new ATOM 248 N PHE A 17 -3.735 6.036 -0.562 1.00 10.00 N ATOM 249 CA PHE A 17 -4.665 4.893 -0.528 1.00 10.00 C ATOM 250 C PHE A 17 -3.933 3.561 -0.299 1.00 10.00 C ATOM 251 O PHE A 17 -4.385 2.741 0.507 1.00 10.00 O ATOM 252 CB PHE A 17 -5.490 4.845 -1.827 1.00 10.00 C ATOM 253 CG PHE A 17 -6.154 3.510 -2.119 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.281 3.104 -1.382 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.616 2.655 -3.104 1.00 10.00 C ATOM 256 CE1 PHE A 17 -7.867 1.848 -1.625 1.00 10.00 C ATOM 257 CE2 PHE A 17 -6.202 1.400 -3.346 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.327 0.997 -2.606 1.00 10.00 C ATOM 0 H PHE A 17 -3.736 6.548 -1.444 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.338 5.037 0.317 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.261 5.614 -1.778 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.838 5.100 -2.663 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -7.697 3.757 -0.629 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -4.752 2.965 -3.673 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -8.732 1.537 -1.058 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -5.788 0.746 -4.100 1.00 10.00 H new ATOM 0 HZ PHE A 17 -7.777 0.033 -2.791 1.00 10.00 H new ATOM 268 N LEU A 18 -2.789 3.346 -0.962 1.00 10.00 N ATOM 269 CA LEU A 18 -1.970 2.146 -0.771 1.00 10.00 C ATOM 270 C LEU A 18 -1.363 2.100 0.637 1.00 10.00 C ATOM 271 O LEU A 18 -1.461 1.071 1.305 1.00 10.00 O ATOM 272 CB LEU A 18 -0.880 2.082 -1.857 1.00 10.00 C ATOM 273 CG LEU A 18 -1.450 1.882 -3.273 1.00 10.00 C ATOM 274 CD1 LEU A 18 -0.390 2.237 -4.319 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.946 0.454 -3.496 1.00 10.00 C ATOM 0 H LEU A 18 -2.407 4.000 -1.645 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.609 1.269 -0.868 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.297 3.003 -1.833 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -0.195 1.265 -1.629 1.00 10.00 H new ATOM 0 HG LEU A 18 -2.307 2.547 -3.378 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -0.802 2.093 -5.318 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -0.092 3.278 -4.196 1.00 10.00 H new ATOM 0 HD13 LEU A 18 0.480 1.593 -4.189 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -2.339 0.359 -4.508 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -1.119 -0.244 -3.361 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.734 0.226 -2.778 1.00 10.00 H new ATOM 287 N HIS A 19 -0.812 3.217 1.128 1.00 10.00 N ATOM 288 CA HIS A 19 -0.310 3.318 2.499 1.00 10.00 C ATOM 289 C HIS A 19 -1.411 3.014 3.527 1.00 10.00 C ATOM 290 O HIS A 19 -1.200 2.173 4.406 1.00 10.00 O ATOM 291 CB HIS A 19 0.307 4.708 2.714 1.00 10.00 C ATOM 292 CG HIS A 19 0.783 4.989 4.122 1.00 10.00 C ATOM 293 ND1 HIS A 19 0.865 6.234 4.704 1.00 10.00 N ATOM 294 CD2 HIS A 19 1.196 4.084 5.066 1.00 10.00 C ATOM 295 CE1 HIS A 19 1.313 6.076 5.962 1.00 10.00 C ATOM 296 NE2 HIS A 19 1.527 4.780 6.230 1.00 10.00 N ATOM 0 H HIS A 19 -0.703 4.074 0.585 1.00 10.00 H new ATOM 0 HA HIS A 19 0.465 2.566 2.650 1.00 10.00 H new ATOM 0 HB2 HIS A 19 1.150 4.823 2.033 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.431 5.462 2.439 1.00 10.00 H new ATOM 0 HD2 HIS A 19 1.255 3.014 4.932 1.00 10.00 H new ATOM 0 HE1 HIS A 19 1.478 6.883 6.661 1.00 10.00 H new ATOM 0 HE2 HIS A 19 1.864 4.383 7.107 1.00 10.00 H new ATOM 304 N ASN A 20 -2.597 3.628 3.389 1.00 10.00 N ATOM 305 CA ASN A 20 -3.727 3.329 4.268 1.00 10.00 C ATOM 306 C ASN A 20 -4.139 1.857 4.152 1.00 10.00 C ATOM 307 O ASN A 20 -4.338 1.221 5.176 1.00 10.00 O ATOM 308 CB ASN A 20 -4.914 4.277 4.005 1.00 10.00 C ATOM 309 CG ASN A 20 -5.558 4.739 5.306 1.00 10.00 C ATOM 310 OD1 ASN A 20 -5.330 5.852 5.753 1.00 10.00 O ATOM 311 ND2 ASN A 20 -6.349 3.925 5.975 1.00 10.00 N ATOM 0 H ASN A 20 -2.793 4.332 2.677 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.404 3.500 5.295 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -4.571 5.144 3.440 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -5.657 3.769 3.390 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -6.764 4.227 6.857 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -6.547 2.993 5.611 1.00 10.00 H new ATOM 318 N THR A 21 -4.149 1.283 2.940 1.00 10.00 N ATOM 319 CA THR A 21 -4.543 -0.117 2.705 1.00 10.00 C ATOM 320 C THR A 21 -3.621 -1.081 3.456 1.00 10.00 C ATOM 321 O THR A 21 -4.110 -1.995 4.119 1.00 10.00 O ATOM 322 CB THR A 21 -4.527 -0.443 1.197 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.445 0.383 0.519 1.00 10.00 O ATOM 324 CG2 THR A 21 -4.904 -1.894 0.872 1.00 10.00 C ATOM 0 H THR A 21 -3.883 1.779 2.089 1.00 10.00 H new ATOM 0 HA THR A 21 -5.558 -0.243 3.082 1.00 10.00 H new ATOM 0 HB THR A 21 -3.499 -0.275 0.875 1.00 10.00 H new ATOM 0 HG1 THR A 21 -4.999 1.211 0.243 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.870 -2.046 -0.207 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.199 -2.570 1.356 1.00 10.00 H new ATOM 0 HG23 THR A 21 -5.911 -2.098 1.236 1.00 10.00 H new ATOM 332 N ILE A 22 -2.301 -0.860 3.417 1.00 10.00 N ATOM 333 CA ILE A 22 -1.340 -1.671 4.182 1.00 10.00 C ATOM 334 C ILE A 22 -1.498 -1.431 5.684 1.00 10.00 C ATOM 335 O ILE A 22 -1.524 -2.398 6.445 1.00 10.00 O ATOM 336 CB ILE A 22 0.103 -1.373 3.734 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.246 -1.719 2.247 1.00 10.00 C ATOM 338 CG2 ILE A 22 1.163 -2.160 4.532 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.648 -1.477 1.715 1.00 10.00 C ATOM 0 H ILE A 22 -1.870 -0.122 2.860 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.551 -2.722 3.982 1.00 10.00 H new ATOM 0 HB ILE A 22 0.282 -0.314 3.918 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -0.019 -2.765 2.096 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.463 -1.124 1.671 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.158 -1.904 4.167 1.00 10.00 H new ATOM 0 HG22 ILE A 22 1.087 -1.903 5.589 1.00 10.00 H new ATOM 0 HG23 ILE A 22 0.994 -3.229 4.405 1.00 10.00 H new ATOM 0 HD11 ILE A 22 1.686 -1.740 0.658 1.00 10.00 H new ATOM 0 HD12 ILE A 22 1.907 -0.425 1.837 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.358 -2.092 2.268 1.00 10.00 H new ATOM 351 N SER A 23 -1.628 -0.169 6.116 1.00 10.00 N ATOM 352 CA SER A 23 -1.826 0.165 7.529 1.00 10.00 C ATOM 353 C SER A 23 -3.082 -0.514 8.094 1.00 10.00 C ATOM 354 O SER A 23 -3.003 -1.197 9.115 1.00 10.00 O ATOM 355 CB SER A 23 -1.893 1.687 7.698 1.00 10.00 C ATOM 356 OG SER A 23 -1.839 2.026 9.068 1.00 10.00 O ATOM 0 H SER A 23 -1.599 0.643 5.499 1.00 10.00 H new ATOM 0 HA SER A 23 -0.976 -0.213 8.098 1.00 10.00 H new ATOM 0 HB2 SER A 23 -1.065 2.157 7.166 1.00 10.00 H new ATOM 0 HB3 SER A 23 -2.813 2.070 7.257 1.00 10.00 H new ATOM 0 HG SER A 23 -1.881 3.000 9.166 1.00 10.00 H new ATOM 362 N ASP A 24 -4.211 -0.425 7.380 1.00 10.00 N ATOM 363 CA ASP A 24 -5.465 -1.092 7.726 1.00 10.00 C ATOM 364 C ASP A 24 -5.322 -2.617 7.689 1.00 10.00 C ATOM 365 O ASP A 24 -5.841 -3.286 8.581 1.00 10.00 O ATOM 366 CB ASP A 24 -6.579 -0.678 6.746 1.00 10.00 C ATOM 367 CG ASP A 24 -6.976 0.800 6.824 1.00 10.00 C ATOM 368 OD1 ASP A 24 -7.074 1.324 7.955 1.00 10.00 O ATOM 369 OD2 ASP A 24 -7.214 1.398 5.747 1.00 10.00 O ATOM 0 H ASP A 24 -4.276 0.127 6.525 1.00 10.00 H new ATOM 0 HA ASP A 24 -5.723 -0.786 8.740 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.253 -0.901 5.730 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.461 -1.289 6.939 1.00 10.00 H new ATOM 374 N PHE A 25 -4.579 -3.184 6.722 1.00 10.00 N ATOM 375 CA PHE A 25 -4.360 -4.630 6.670 1.00 10.00 C ATOM 376 C PHE A 25 -3.554 -5.111 7.881 1.00 10.00 C ATOM 377 O PHE A 25 -3.957 -6.069 8.545 1.00 10.00 O ATOM 378 CB PHE A 25 -3.673 -5.024 5.351 1.00 10.00 C ATOM 379 CG PHE A 25 -3.630 -6.521 5.076 1.00 10.00 C ATOM 380 CD1 PHE A 25 -2.742 -7.364 5.777 1.00 10.00 C ATOM 381 CD2 PHE A 25 -4.460 -7.074 4.082 1.00 10.00 C ATOM 382 CE1 PHE A 25 -2.695 -8.741 5.498 1.00 10.00 C ATOM 383 CE2 PHE A 25 -4.428 -8.454 3.815 1.00 10.00 C ATOM 384 CZ PHE A 25 -3.545 -9.288 4.520 1.00 10.00 C ATOM 0 H PHE A 25 -4.125 -2.662 5.973 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.331 -5.123 6.707 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.190 -4.532 4.527 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.653 -4.641 5.361 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.093 -6.948 6.534 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -5.125 -6.434 3.521 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -2.007 -9.378 6.034 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -5.084 -8.873 3.066 1.00 10.00 H new ATOM 0 HZ PHE A 25 -3.519 -10.347 4.312 1.00 10.00 H new ATOM 394 N ILE A 26 -2.470 -4.402 8.226 1.00 10.00 N ATOM 395 CA ILE A 26 -1.655 -4.689 9.395 1.00 10.00 C ATOM 396 C ILE A 26 -2.533 -4.580 10.645 1.00 10.00 C ATOM 397 O ILE A 26 -2.637 -5.563 11.373 1.00 10.00 O ATOM 398 CB ILE A 26 -0.429 -3.746 9.394 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.576 -4.184 8.301 1.00 10.00 C ATOM 400 CG2 ILE A 26 0.249 -3.720 10.764 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.755 -3.219 8.114 1.00 10.00 C ATOM 0 H ILE A 26 -2.137 -3.603 7.687 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.260 -5.705 9.382 1.00 10.00 H new ATOM 0 HB ILE A 26 -0.775 -2.736 9.174 1.00 10.00 H new ATOM 0 HG12 ILE A 26 0.964 -5.171 8.553 1.00 10.00 H new ATOM 0 HG13 ILE A 26 0.046 -4.282 7.353 1.00 10.00 H new ATOM 0 HG21 ILE A 26 1.107 -3.049 10.733 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.459 -3.368 11.514 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.583 -4.724 11.024 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.413 -3.596 7.331 1.00 10.00 H new ATOM 0 HD12 ILE A 26 1.379 -2.236 7.830 1.00 10.00 H new ATOM 0 HD13 ILE A 26 2.311 -3.139 9.048 1.00 10.00 H new ATOM 413 N LEU A 27 -3.243 -3.461 10.845 1.00 10.00 N ATOM 414 CA LEU A 27 -4.121 -3.261 12.004 1.00 10.00 C ATOM 415 C LEU A 27 -5.272 -4.278 12.082 1.00 10.00 C ATOM 416 O LEU A 27 -5.657 -4.652 13.190 1.00 10.00 O ATOM 417 CB LEU A 27 -4.649 -1.812 12.021 1.00 10.00 C ATOM 418 CG LEU A 27 -3.792 -0.840 12.858 1.00 10.00 C ATOM 419 CD1 LEU A 27 -2.311 -0.781 12.470 1.00 10.00 C ATOM 420 CD2 LEU A 27 -4.375 0.571 12.751 1.00 10.00 C ATOM 0 H LEU A 27 -3.224 -2.667 10.205 1.00 10.00 H new ATOM 0 HA LEU A 27 -3.518 -3.435 12.895 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -4.701 -1.444 10.996 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -5.666 -1.812 12.412 1.00 10.00 H new ATOM 0 HG LEU A 27 -3.827 -1.228 13.876 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -1.794 -0.071 13.115 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -1.865 -1.769 12.587 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -2.219 -0.462 11.432 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -3.771 1.260 13.342 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -4.372 0.888 11.708 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -5.398 0.571 13.127 1.00 10.00 H new ATOM 432 N LYS A 28 -5.801 -4.774 10.950 1.00 10.00 N ATOM 433 CA LYS A 28 -6.800 -5.847 10.938 1.00 10.00 C ATOM 434 C LYS A 28 -6.200 -7.253 11.095 1.00 10.00 C ATOM 435 O LYS A 28 -6.965 -8.224 11.070 1.00 10.00 O ATOM 436 CB LYS A 28 -7.732 -5.705 9.715 1.00 10.00 C ATOM 437 CG LYS A 28 -7.322 -6.441 8.424 1.00 10.00 C ATOM 438 CD LYS A 28 -8.495 -7.069 7.657 1.00 10.00 C ATOM 439 CE LYS A 28 -9.323 -8.062 8.484 1.00 10.00 C ATOM 440 NZ LYS A 28 -8.512 -9.178 9.024 1.00 10.00 N ATOM 0 H LYS A 28 -5.546 -4.440 10.021 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.413 -5.728 11.831 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -8.723 -6.056 10.003 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -7.825 -4.644 9.483 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -6.807 -5.740 7.767 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -6.607 -7.224 8.677 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -9.150 -6.274 7.301 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -8.107 -7.581 6.776 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -9.798 -7.532 9.309 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -10.122 -8.467 7.863 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -9.142 -9.917 9.396 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -7.921 -9.576 8.266 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -7.903 -8.826 9.790 1.00 10.00 H new ATOM 454 N ARG A 29 -4.869 -7.389 11.205 1.00 10.00 N ATOM 455 CA ARG A 29 -4.173 -8.682 11.308 1.00 10.00 C ATOM 456 C ARG A 29 -3.289 -8.821 12.563 1.00 10.00 C ATOM 457 O ARG A 29 -3.183 -9.931 13.074 1.00 10.00 O ATOM 458 CB ARG A 29 -3.391 -8.893 10.000 1.00 10.00 C ATOM 459 CG ARG A 29 -3.040 -10.349 9.687 1.00 10.00 C ATOM 460 CD ARG A 29 -4.242 -11.209 9.282 1.00 10.00 C ATOM 461 NE ARG A 29 -3.779 -12.541 8.853 1.00 10.00 N ATOM 462 CZ ARG A 29 -3.300 -12.853 7.653 1.00 10.00 C ATOM 463 NH1 ARG A 29 -3.416 -12.048 6.626 1.00 10.00 N ATOM 464 NH2 ARG A 29 -2.668 -13.983 7.464 1.00 10.00 N ATOM 0 H ARG A 29 -4.235 -6.590 11.225 1.00 10.00 H new ATOM 0 HA ARG A 29 -4.912 -9.472 11.437 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -3.977 -8.490 9.174 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -2.469 -8.314 10.048 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -2.305 -10.369 8.883 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -2.567 -10.794 10.563 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -4.931 -11.306 10.121 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -4.791 -10.726 8.473 1.00 10.00 H new ATOM 0 HE ARG A 29 -3.831 -13.293 9.540 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -3.886 -11.149 6.733 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -3.036 -12.320 5.719 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -2.540 -14.632 8.241 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -2.303 -14.215 6.540 1.00 10.00 H new ATOM 478 N VAL A 30 -2.730 -7.728 13.098 1.00 10.00 N ATOM 479 CA VAL A 30 -2.017 -7.655 14.388 1.00 10.00 C ATOM 480 C VAL A 30 -2.189 -6.252 15.004 1.00 10.00 C ATOM 481 O VAL A 30 -2.293 -5.255 14.290 1.00 10.00 O ATOM 482 CB VAL A 30 -0.538 -8.065 14.199 1.00 10.00 C ATOM 483 CG1 VAL A 30 0.257 -7.128 13.280 1.00 10.00 C ATOM 484 CG2 VAL A 30 0.209 -8.205 15.528 1.00 10.00 C ATOM 0 H VAL A 30 -2.762 -6.826 12.624 1.00 10.00 H new ATOM 0 HA VAL A 30 -2.447 -8.362 15.097 1.00 10.00 H new ATOM 0 HB VAL A 30 -0.600 -9.039 13.713 1.00 10.00 H new ATOM 0 HG11 VAL A 30 1.284 -7.483 13.199 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -0.201 -7.113 12.291 1.00 10.00 H new ATOM 0 HG13 VAL A 30 0.254 -6.121 13.697 1.00 10.00 H new ATOM 0 HG21 VAL A 30 1.242 -8.494 15.336 1.00 10.00 H new ATOM 0 HG22 VAL A 30 0.191 -7.252 16.057 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -0.274 -8.968 16.138 1.00 10.00 H new ATOM 494 N SER A 31 -2.276 -6.157 16.334 1.00 10.00 N ATOM 495 CA SER A 31 -2.655 -4.931 17.041 1.00 10.00 C ATOM 496 C SER A 31 -1.558 -3.868 17.067 1.00 10.00 C ATOM 497 O SER A 31 -0.405 -4.142 17.385 1.00 10.00 O ATOM 498 CB SER A 31 -3.081 -5.240 18.477 1.00 10.00 C ATOM 499 OG SER A 31 -3.492 -4.059 19.147 1.00 10.00 O ATOM 0 H SER A 31 -2.082 -6.940 16.958 1.00 10.00 H new ATOM 0 HA SER A 31 -3.491 -4.520 16.474 1.00 10.00 H new ATOM 0 HB2 SER A 31 -3.897 -5.963 18.471 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.252 -5.699 19.016 1.00 10.00 H new ATOM 0 HG SER A 31 -3.762 -4.280 20.063 1.00 10.00 H new ATOM 505 N ALA A 32 -1.948 -2.614 16.831 1.00 10.00 N ATOM 506 CA ALA A 32 -1.125 -1.427 17.047 1.00 10.00 C ATOM 507 C ALA A 32 -0.490 -1.378 18.456 1.00 10.00 C ATOM 508 O ALA A 32 0.541 -0.737 18.623 1.00 10.00 O ATOM 509 CB ALA A 32 -1.979 -0.184 16.773 1.00 10.00 C ATOM 0 H ALA A 32 -2.877 -2.392 16.472 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.284 -1.462 16.355 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.378 0.712 16.930 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -2.334 -0.207 15.743 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -2.832 -0.172 17.451 1.00 10.00 H new ATOM 515 N LYS A 33 -1.078 -2.044 19.467 1.00 10.00 N ATOM 516 CA LYS A 33 -0.489 -2.180 20.814 1.00 10.00 C ATOM 517 C LYS A 33 0.567 -3.297 20.942 1.00 10.00 C ATOM 518 O LYS A 33 1.230 -3.376 21.970 1.00 10.00 O ATOM 519 CB LYS A 33 -1.605 -2.356 21.858 1.00 10.00 C ATOM 520 CG LYS A 33 -2.460 -1.084 21.974 1.00 10.00 C ATOM 521 CD LYS A 33 -3.547 -1.233 23.048 1.00 10.00 C ATOM 522 CE LYS A 33 -4.312 0.079 23.270 1.00 10.00 C ATOM 523 NZ LYS A 33 -5.050 0.512 22.059 1.00 10.00 N ATOM 0 H LYS A 33 -1.982 -2.507 19.372 1.00 10.00 H new ATOM 0 HA LYS A 33 0.056 -1.255 21.001 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -2.238 -3.199 21.580 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -1.166 -2.593 22.827 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -1.821 -0.235 22.217 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -2.925 -0.868 21.012 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -4.246 -2.016 22.752 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -3.091 -1.551 23.985 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -5.014 -0.047 24.095 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -3.611 0.860 23.564 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -5.591 1.374 22.272 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -4.375 0.708 21.292 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -5.702 -0.242 21.762 1.00 10.00 H new ATOM 537 N GLU A 34 0.743 -4.130 19.913 1.00 10.00 N ATOM 538 CA GLU A 34 1.825 -5.125 19.783 1.00 10.00 C ATOM 539 C GLU A 34 2.956 -4.593 18.874 1.00 10.00 C ATOM 540 O GLU A 34 4.042 -5.170 18.807 1.00 10.00 O ATOM 541 CB GLU A 34 1.249 -6.428 19.187 1.00 10.00 C ATOM 542 CG GLU A 34 0.091 -7.025 20.006 1.00 10.00 C ATOM 543 CD GLU A 34 -0.630 -8.158 19.259 1.00 10.00 C ATOM 544 OE1 GLU A 34 -1.401 -7.840 18.320 1.00 10.00 O ATOM 545 OE2 GLU A 34 -0.446 -9.328 19.656 1.00 10.00 O ATOM 0 H GLU A 34 0.112 -4.134 19.111 1.00 10.00 H new ATOM 0 HA GLU A 34 2.242 -5.320 20.771 1.00 10.00 H new ATOM 0 HB2 GLU A 34 0.901 -6.230 18.173 1.00 10.00 H new ATOM 0 HB3 GLU A 34 2.047 -7.166 19.112 1.00 10.00 H new ATOM 0 HG2 GLU A 34 0.476 -7.405 20.952 1.00 10.00 H new ATOM 0 HG3 GLU A 34 -0.624 -6.238 20.246 1.00 10.00 H new ATOM 552 N ILE A 35 2.688 -3.479 18.181 1.00 10.00 N ATOM 553 CA ILE A 35 3.545 -2.797 17.213 1.00 10.00 C ATOM 554 C ILE A 35 4.322 -1.670 17.901 1.00 10.00 C ATOM 555 O ILE A 35 3.742 -0.820 18.574 1.00 10.00 O ATOM 556 CB ILE A 35 2.655 -2.270 16.060 1.00 10.00 C ATOM 557 CG1 ILE A 35 2.160 -3.460 15.209 1.00 10.00 C ATOM 558 CG2 ILE A 35 3.352 -1.228 15.171 1.00 10.00 C ATOM 559 CD1 ILE A 35 1.167 -3.087 14.100 1.00 10.00 C ATOM 0 H ILE A 35 1.796 -2.997 18.294 1.00 10.00 H new ATOM 0 HA ILE A 35 4.283 -3.484 16.799 1.00 10.00 H new ATOM 0 HB ILE A 35 1.812 -1.754 16.519 1.00 10.00 H new ATOM 0 HG12 ILE A 35 3.023 -3.949 14.756 1.00 10.00 H new ATOM 0 HG13 ILE A 35 1.690 -4.190 15.868 1.00 10.00 H new ATOM 0 HG21 ILE A 35 2.669 -0.904 14.386 1.00 10.00 H new ATOM 0 HG22 ILE A 35 3.642 -0.369 15.776 1.00 10.00 H new ATOM 0 HG23 ILE A 35 4.240 -1.670 14.720 1.00 10.00 H new ATOM 0 HD11 ILE A 35 0.875 -3.985 13.556 1.00 10.00 H new ATOM 0 HD12 ILE A 35 0.283 -2.628 14.542 1.00 10.00 H new ATOM 0 HD13 ILE A 35 1.636 -2.383 13.413 1.00 10.00 H new ATOM 571 N VAL A 36 5.645 -1.664 17.719 1.00 10.00 N ATOM 572 CA VAL A 36 6.513 -0.538 18.079 1.00 10.00 C ATOM 573 C VAL A 36 6.294 0.595 17.073 1.00 10.00 C ATOM 574 O VAL A 36 5.989 1.711 17.485 1.00 10.00 O ATOM 575 CB VAL A 36 7.989 -0.989 18.110 1.00 10.00 C ATOM 576 CG1 VAL A 36 8.978 0.182 18.154 1.00 10.00 C ATOM 577 CG2 VAL A 36 8.231 -1.878 19.333 1.00 10.00 C ATOM 0 H VAL A 36 6.151 -2.451 17.312 1.00 10.00 H new ATOM 0 HA VAL A 36 6.263 -0.177 19.076 1.00 10.00 H new ATOM 0 HB VAL A 36 8.165 -1.535 17.183 1.00 10.00 H new ATOM 0 HG11 VAL A 36 9.997 -0.203 18.174 1.00 10.00 H new ATOM 0 HG12 VAL A 36 8.843 0.805 17.270 1.00 10.00 H new ATOM 0 HG13 VAL A 36 8.797 0.777 19.049 1.00 10.00 H new ATOM 0 HG21 VAL A 36 9.274 -2.195 19.352 1.00 10.00 H new ATOM 0 HG22 VAL A 36 8.005 -1.318 20.240 1.00 10.00 H new ATOM 0 HG23 VAL A 36 7.586 -2.755 19.278 1.00 10.00 H new ATOM 587 N ASP A 37 6.407 0.300 15.769 1.00 10.00 N ATOM 588 CA ASP A 37 6.061 1.227 14.681 1.00 10.00 C ATOM 589 C ASP A 37 5.965 0.507 13.315 1.00 10.00 C ATOM 590 O ASP A 37 6.256 -0.688 13.203 1.00 10.00 O ATOM 591 CB ASP A 37 7.068 2.404 14.616 1.00 10.00 C ATOM 592 CG ASP A 37 6.397 3.730 14.229 1.00 10.00 C ATOM 593 OD1 ASP A 37 5.366 3.671 13.519 1.00 10.00 O ATOM 594 OD2 ASP A 37 6.921 4.785 14.651 1.00 10.00 O ATOM 0 H ASP A 37 6.746 -0.602 15.436 1.00 10.00 H new ATOM 0 HA ASP A 37 5.073 1.631 14.903 1.00 10.00 H new ATOM 0 HB2 ASP A 37 7.555 2.516 15.585 1.00 10.00 H new ATOM 0 HB3 ASP A 37 7.849 2.171 13.892 1.00 10.00 H new ATOM 599 N ILE A 38 5.598 1.247 12.264 1.00 10.00 N ATOM 600 CA ILE A 38 5.614 0.798 10.865 1.00 10.00 C ATOM 601 C ILE A 38 6.325 1.826 9.977 1.00 10.00 C ATOM 602 O ILE A 38 6.128 3.029 10.124 1.00 10.00 O ATOM 603 CB ILE A 38 4.186 0.507 10.330 1.00 10.00 C ATOM 604 CG1 ILE A 38 3.193 1.679 10.529 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.645 -0.792 10.945 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.790 1.429 9.957 1.00 10.00 C ATOM 0 H ILE A 38 5.270 2.208 12.365 1.00 10.00 H new ATOM 0 HA ILE A 38 6.169 -0.139 10.831 1.00 10.00 H new ATOM 0 HB ILE A 38 4.277 0.386 9.251 1.00 10.00 H new ATOM 0 HG12 ILE A 38 3.105 1.887 11.595 1.00 10.00 H new ATOM 0 HG13 ILE A 38 3.608 2.573 10.063 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.643 -0.986 10.562 1.00 10.00 H new ATOM 0 HG22 ILE A 38 4.301 -1.621 10.680 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.606 -0.692 12.030 1.00 10.00 H new ATOM 0 HD11 ILE A 38 1.161 2.300 10.141 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.861 1.253 8.884 1.00 10.00 H new ATOM 0 HD13 ILE A 38 1.350 0.556 10.440 1.00 10.00 H new ATOM 618 N ASP A 39 7.092 1.335 9.000 1.00 10.00 N ATOM 619 CA ASP A 39 7.664 2.143 7.920 1.00 10.00 C ATOM 620 C ASP A 39 7.033 1.703 6.605 1.00 10.00 C ATOM 621 O ASP A 39 7.185 0.553 6.207 1.00 10.00 O ATOM 622 CB ASP A 39 9.193 1.983 7.822 1.00 10.00 C ATOM 623 CG ASP A 39 10.011 2.802 8.818 1.00 10.00 C ATOM 624 OD1 ASP A 39 9.588 3.930 9.146 1.00 10.00 O ATOM 625 OD2 ASP A 39 11.105 2.309 9.185 1.00 10.00 O ATOM 0 H ASP A 39 7.337 0.347 8.936 1.00 10.00 H new ATOM 0 HA ASP A 39 7.455 3.192 8.131 1.00 10.00 H new ATOM 0 HB2 ASP A 39 9.439 0.930 7.958 1.00 10.00 H new ATOM 0 HB3 ASP A 39 9.504 2.256 6.814 1.00 10.00 H new ATOM 630 N ILE A 40 6.342 2.605 5.905 1.00 10.00 N ATOM 631 CA ILE A 40 5.784 2.333 4.578 1.00 10.00 C ATOM 632 C ILE A 40 6.178 3.483 3.660 1.00 10.00 C ATOM 633 O ILE A 40 5.859 4.641 3.919 1.00 10.00 O ATOM 634 CB ILE A 40 4.258 2.097 4.644 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.969 0.726 5.291 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.639 2.098 3.232 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.578 0.577 5.888 1.00 10.00 C ATOM 0 H ILE A 40 6.153 3.548 6.244 1.00 10.00 H new ATOM 0 HA ILE A 40 6.192 1.408 4.172 1.00 10.00 H new ATOM 0 HB ILE A 40 3.821 2.902 5.235 1.00 10.00 H new ATOM 0 HG12 ILE A 40 4.110 -0.051 4.539 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.705 0.549 6.075 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.565 1.930 3.306 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.824 3.060 2.754 1.00 10.00 H new ATOM 0 HG23 ILE A 40 4.090 1.305 2.636 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.471 -0.419 6.318 1.00 10.00 H new ATOM 0 HD12 ILE A 40 2.434 1.326 6.667 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.830 0.717 5.108 1.00 10.00 H new ATOM 649 N THR A 41 6.872 3.135 2.576 1.00 10.00 N ATOM 650 CA THR A 41 7.302 4.061 1.536 1.00 10.00 C ATOM 651 C THR A 41 6.668 3.611 0.225 1.00 10.00 C ATOM 652 O THR A 41 6.900 2.502 -0.259 1.00 10.00 O ATOM 653 CB THR A 41 8.834 4.125 1.424 1.00 10.00 C ATOM 654 OG1 THR A 41 9.412 4.256 2.702 1.00 10.00 O ATOM 655 CG2 THR A 41 9.280 5.348 0.622 1.00 10.00 C ATOM 0 H THR A 41 7.157 2.173 2.395 1.00 10.00 H new ATOM 0 HA THR A 41 6.978 5.071 1.785 1.00 10.00 H new ATOM 0 HB THR A 41 9.152 3.206 0.932 1.00 10.00 H new ATOM 0 HG1 THR A 41 10.388 4.294 2.617 1.00 10.00 H new ATOM 0 HG21 THR A 41 10.368 5.366 0.560 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.860 5.297 -0.383 1.00 10.00 H new ATOM 0 HG23 THR A 41 8.930 6.254 1.116 1.00 10.00 H new ATOM 663 N VAL A 42 5.840 4.492 -0.330 1.00 10.00 N ATOM 664 CA VAL A 42 5.072 4.291 -1.552 1.00 10.00 C ATOM 665 C VAL A 42 5.585 5.292 -2.580 1.00 10.00 C ATOM 666 O VAL A 42 5.519 6.500 -2.357 1.00 10.00 O ATOM 667 CB VAL A 42 3.562 4.475 -1.275 1.00 10.00 C ATOM 668 CG1 VAL A 42 2.955 3.162 -0.772 1.00 10.00 C ATOM 669 CG2 VAL A 42 3.230 5.582 -0.254 1.00 10.00 C ATOM 0 H VAL A 42 5.680 5.411 0.082 1.00 10.00 H new ATOM 0 HA VAL A 42 5.197 3.277 -1.933 1.00 10.00 H new ATOM 0 HB VAL A 42 3.133 4.779 -2.230 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.891 3.303 -0.580 1.00 10.00 H new ATOM 0 HG12 VAL A 42 3.088 2.387 -1.527 1.00 10.00 H new ATOM 0 HG13 VAL A 42 3.453 2.860 0.149 1.00 10.00 H new ATOM 0 HG21 VAL A 42 2.150 5.642 -0.121 1.00 10.00 H new ATOM 0 HG22 VAL A 42 3.701 5.349 0.701 1.00 10.00 H new ATOM 0 HG23 VAL A 42 3.604 6.538 -0.620 1.00 10.00 H new ATOM 679 N LEU A 43 6.131 4.786 -3.688 1.00 10.00 N ATOM 680 CA LEU A 43 6.690 5.602 -4.762 1.00 10.00 C ATOM 681 C LEU A 43 5.892 5.344 -6.033 1.00 10.00 C ATOM 682 O LEU A 43 5.568 4.200 -6.345 1.00 10.00 O ATOM 683 CB LEU A 43 8.177 5.287 -5.023 1.00 10.00 C ATOM 684 CG LEU A 43 9.205 5.480 -3.891 1.00 10.00 C ATOM 685 CD1 LEU A 43 9.023 6.789 -3.118 1.00 10.00 C ATOM 686 CD2 LEU A 43 9.263 4.297 -2.919 1.00 10.00 C ATOM 0 H LEU A 43 6.197 3.784 -3.864 1.00 10.00 H new ATOM 0 HA LEU A 43 6.626 6.648 -4.461 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.239 4.248 -5.346 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.498 5.902 -5.864 1.00 10.00 H new ATOM 0 HG LEU A 43 10.162 5.534 -4.409 1.00 10.00 H new ATOM 0 HD11 LEU A 43 9.780 6.859 -2.337 1.00 10.00 H new ATOM 0 HD12 LEU A 43 9.127 7.632 -3.801 1.00 10.00 H new ATOM 0 HD13 LEU A 43 8.032 6.809 -2.665 1.00 10.00 H new ATOM 0 HD21 LEU A 43 10.006 4.497 -2.147 1.00 10.00 H new ATOM 0 HD22 LEU A 43 8.286 4.159 -2.456 1.00 10.00 H new ATOM 0 HD23 LEU A 43 9.538 3.393 -3.462 1.00 10.00 H new ATOM 698 N VAL A 44 5.609 6.400 -6.788 1.00 10.00 N ATOM 699 CA VAL A 44 4.985 6.310 -8.108 1.00 10.00 C ATOM 700 C VAL A 44 5.644 7.320 -9.046 1.00 10.00 C ATOM 701 O VAL A 44 5.998 8.424 -8.635 1.00 10.00 O ATOM 702 CB VAL A 44 3.451 6.430 -7.993 1.00 10.00 C ATOM 703 CG1 VAL A 44 3.006 7.739 -7.339 1.00 10.00 C ATOM 704 CG2 VAL A 44 2.755 6.266 -9.351 1.00 10.00 C ATOM 0 H VAL A 44 5.809 7.357 -6.498 1.00 10.00 H new ATOM 0 HA VAL A 44 5.152 5.329 -8.553 1.00 10.00 H new ATOM 0 HB VAL A 44 3.146 5.610 -7.343 1.00 10.00 H new ATOM 0 HG11 VAL A 44 1.918 7.767 -7.285 1.00 10.00 H new ATOM 0 HG12 VAL A 44 3.421 7.803 -6.333 1.00 10.00 H new ATOM 0 HG13 VAL A 44 3.362 8.581 -7.932 1.00 10.00 H new ATOM 0 HG21 VAL A 44 1.677 6.358 -9.221 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.105 7.039 -10.035 1.00 10.00 H new ATOM 0 HG23 VAL A 44 2.988 5.284 -9.763 1.00 10.00 H new ATOM 714 N GLU A 45 5.830 6.919 -10.302 1.00 10.00 N ATOM 715 CA GLU A 45 6.628 7.620 -11.303 1.00 10.00 C ATOM 716 C GLU A 45 5.967 7.487 -12.683 1.00 10.00 C ATOM 717 O GLU A 45 5.274 6.502 -12.963 1.00 10.00 O ATOM 718 CB GLU A 45 8.043 6.998 -11.274 1.00 10.00 C ATOM 719 CG GLU A 45 9.063 7.555 -12.279 1.00 10.00 C ATOM 720 CD GLU A 45 9.252 9.067 -12.137 1.00 10.00 C ATOM 721 OE1 GLU A 45 8.472 9.786 -12.803 1.00 10.00 O ATOM 722 OE2 GLU A 45 10.141 9.479 -11.362 1.00 10.00 O ATOM 0 H GLU A 45 5.411 6.062 -10.664 1.00 10.00 H new ATOM 0 HA GLU A 45 6.696 8.687 -11.090 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.450 7.125 -10.271 1.00 10.00 H new ATOM 0 HB3 GLU A 45 7.947 5.926 -11.446 1.00 10.00 H new ATOM 0 HG2 GLU A 45 10.021 7.056 -12.135 1.00 10.00 H new ATOM 0 HG3 GLU A 45 8.734 7.326 -13.292 1.00 10.00 H new ATOM 729 N TYR A 46 6.229 8.459 -13.562 1.00 10.00 N ATOM 730 CA TYR A 46 5.845 8.409 -14.964 1.00 10.00 C ATOM 731 C TYR A 46 7.060 8.778 -15.822 1.00 10.00 C ATOM 732 O TYR A 46 7.394 9.947 -16.004 1.00 10.00 O ATOM 733 CB TYR A 46 4.616 9.292 -15.250 1.00 10.00 C ATOM 734 CG TYR A 46 3.947 8.858 -16.540 1.00 10.00 C ATOM 735 CD1 TYR A 46 4.630 8.979 -17.766 1.00 10.00 C ATOM 736 CD2 TYR A 46 2.723 8.165 -16.486 1.00 10.00 C ATOM 737 CE1 TYR A 46 4.180 8.269 -18.890 1.00 10.00 C ATOM 738 CE2 TYR A 46 2.241 7.498 -17.626 1.00 10.00 C ATOM 739 CZ TYR A 46 3.016 7.477 -18.805 1.00 10.00 C ATOM 740 OH TYR A 46 2.699 6.636 -19.824 1.00 10.00 O ATOM 0 H TYR A 46 6.723 9.315 -13.308 1.00 10.00 H new ATOM 0 HA TYR A 46 5.536 7.397 -15.225 1.00 10.00 H new ATOM 0 HB2 TYR A 46 3.909 9.222 -14.424 1.00 10.00 H new ATOM 0 HB3 TYR A 46 4.919 10.337 -15.323 1.00 10.00 H new ATOM 0 HD1 TYR A 46 5.498 9.617 -17.841 1.00 10.00 H new ATOM 0 HD2 TYR A 46 2.154 8.146 -15.568 1.00 10.00 H new ATOM 0 HE1 TYR A 46 4.725 8.329 -19.820 1.00 10.00 H new ATOM 0 HE2 TYR A 46 1.281 7.004 -17.599 1.00 10.00 H new ATOM 0 HH TYR A 46 3.465 6.552 -20.429 1.00 10.00 H new ATOM 750 N THR A 47 7.733 7.762 -16.367 1.00 10.00 N ATOM 751 CA THR A 47 8.892 7.913 -17.260 1.00 10.00 C ATOM 752 C THR A 47 8.652 7.028 -18.480 1.00 10.00 C ATOM 753 O THR A 47 9.096 5.881 -18.514 1.00 10.00 O ATOM 754 CB THR A 47 10.204 7.616 -16.517 1.00 10.00 C ATOM 755 OG1 THR A 47 10.374 8.545 -15.470 1.00 10.00 O ATOM 756 CG2 THR A 47 11.443 7.760 -17.406 1.00 10.00 C ATOM 0 H THR A 47 7.484 6.787 -16.198 1.00 10.00 H new ATOM 0 HA THR A 47 8.999 8.942 -17.602 1.00 10.00 H new ATOM 0 HB THR A 47 10.122 6.587 -16.167 1.00 10.00 H new ATOM 0 HG1 THR A 47 11.210 8.354 -14.996 1.00 10.00 H new ATOM 0 HG21 THR A 47 12.337 7.537 -16.823 1.00 10.00 H new ATOM 0 HG22 THR A 47 11.373 7.065 -18.243 1.00 10.00 H new ATOM 0 HG23 THR A 47 11.502 8.780 -17.785 1.00 10.00 H new ATOM 764 N ASP A 48 7.858 7.558 -19.424 1.00 10.00 N ATOM 765 CA ASP A 48 7.235 6.888 -20.586 1.00 10.00 C ATOM 766 C ASP A 48 6.205 5.815 -20.173 1.00 10.00 C ATOM 767 O ASP A 48 5.062 5.825 -20.638 1.00 10.00 O ATOM 768 CB ASP A 48 8.302 6.361 -21.559 1.00 10.00 C ATOM 769 CG ASP A 48 7.696 6.049 -22.929 1.00 10.00 C ATOM 770 OD1 ASP A 48 7.208 7.013 -23.560 1.00 10.00 O ATOM 771 OD2 ASP A 48 7.736 4.865 -23.325 1.00 10.00 O ATOM 0 H ASP A 48 7.613 8.548 -19.395 1.00 10.00 H new ATOM 0 HA ASP A 48 6.659 7.640 -21.126 1.00 10.00 H new ATOM 0 HB2 ASP A 48 9.095 7.101 -21.669 1.00 10.00 H new ATOM 0 HB3 ASP A 48 8.760 5.462 -21.148 1.00 10.00 H new ATOM 776 N GLU A 49 6.578 4.986 -19.198 1.00 10.00 N ATOM 777 CA GLU A 49 5.741 4.041 -18.469 1.00 10.00 C ATOM 778 C GLU A 49 5.309 4.646 -17.120 1.00 10.00 C ATOM 779 O GLU A 49 6.089 5.349 -16.467 1.00 10.00 O ATOM 780 CB GLU A 49 6.573 2.791 -18.132 1.00 10.00 C ATOM 781 CG GLU A 49 7.216 2.052 -19.313 1.00 10.00 C ATOM 782 CD GLU A 49 8.177 0.986 -18.774 1.00 10.00 C ATOM 783 OE1 GLU A 49 9.272 1.383 -18.305 1.00 10.00 O ATOM 784 OE2 GLU A 49 7.792 -0.202 -18.756 1.00 10.00 O ATOM 0 H GLU A 49 7.545 4.958 -18.876 1.00 10.00 H new ATOM 0 HA GLU A 49 4.875 3.803 -19.086 1.00 10.00 H new ATOM 0 HB2 GLU A 49 7.365 3.085 -17.443 1.00 10.00 H new ATOM 0 HB3 GLU A 49 5.932 2.089 -17.600 1.00 10.00 H new ATOM 0 HG2 GLU A 49 6.447 1.587 -19.930 1.00 10.00 H new ATOM 0 HG3 GLU A 49 7.753 2.755 -19.949 1.00 10.00 H new ATOM 791 N LEU A 50 4.098 4.298 -16.667 1.00 10.00 N ATOM 792 CA LEU A 50 3.624 4.563 -15.305 1.00 10.00 C ATOM 793 C LEU A 50 4.117 3.405 -14.428 1.00 10.00 C ATOM 794 O LEU A 50 3.774 2.251 -14.697 1.00 10.00 O ATOM 795 CB LEU A 50 2.083 4.639 -15.310 1.00 10.00 C ATOM 796 CG LEU A 50 1.441 5.319 -14.081 1.00 10.00 C ATOM 797 CD1 LEU A 50 -0.073 5.401 -14.304 1.00 10.00 C ATOM 798 CD2 LEU A 50 1.685 4.594 -12.751 1.00 10.00 C ATOM 0 H LEU A 50 3.410 3.817 -17.246 1.00 10.00 H new ATOM 0 HA LEU A 50 4.002 5.510 -14.920 1.00 10.00 H new ATOM 0 HB2 LEU A 50 1.767 5.175 -16.205 1.00 10.00 H new ATOM 0 HB3 LEU A 50 1.688 3.626 -15.389 1.00 10.00 H new ATOM 0 HG LEU A 50 1.912 6.298 -13.996 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -0.542 5.879 -13.444 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -0.278 5.986 -15.201 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -0.478 4.396 -14.426 1.00 10.00 H new ATOM 0 HD21 LEU A 50 1.199 5.141 -11.944 1.00 10.00 H new ATOM 0 HD22 LEU A 50 1.274 3.586 -12.805 1.00 10.00 H new ATOM 0 HD23 LEU A 50 2.756 4.539 -12.558 1.00 10.00 H new ATOM 810 N LYS A 51 4.920 3.694 -13.397 1.00 10.00 N ATOM 811 CA LYS A 51 5.541 2.669 -12.542 1.00 10.00 C ATOM 812 C LYS A 51 5.399 3.027 -11.063 1.00 10.00 C ATOM 813 O LYS A 51 5.334 4.200 -10.703 1.00 10.00 O ATOM 814 CB LYS A 51 7.010 2.466 -12.961 1.00 10.00 C ATOM 815 CG LYS A 51 7.090 1.745 -14.321 1.00 10.00 C ATOM 816 CD LYS A 51 8.511 1.535 -14.853 1.00 10.00 C ATOM 817 CE LYS A 51 9.163 2.868 -15.244 1.00 10.00 C ATOM 818 NZ LYS A 51 10.268 2.658 -16.206 1.00 10.00 N ATOM 0 H LYS A 51 5.160 4.649 -13.129 1.00 10.00 H new ATOM 0 HA LYS A 51 5.021 1.721 -12.679 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.513 3.431 -13.025 1.00 10.00 H new ATOM 0 HB3 LYS A 51 7.533 1.883 -12.203 1.00 10.00 H new ATOM 0 HG2 LYS A 51 6.603 0.774 -14.231 1.00 10.00 H new ATOM 0 HG3 LYS A 51 6.523 2.319 -15.055 1.00 10.00 H new ATOM 0 HD2 LYS A 51 9.117 1.041 -14.093 1.00 10.00 H new ATOM 0 HD3 LYS A 51 8.483 0.874 -15.719 1.00 10.00 H new ATOM 0 HE2 LYS A 51 8.415 3.528 -15.683 1.00 10.00 H new ATOM 0 HE3 LYS A 51 9.543 3.366 -14.352 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 10.523 3.565 -16.646 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 11.094 2.271 -15.707 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 9.965 1.989 -16.943 1.00 10.00 H new ATOM 832 N VAL A 52 5.309 1.995 -10.219 1.00 10.00 N ATOM 833 CA VAL A 52 5.042 2.089 -8.779 1.00 10.00 C ATOM 834 C VAL A 52 5.967 1.150 -7.997 1.00 10.00 C ATOM 835 O VAL A 52 6.309 0.074 -8.484 1.00 10.00 O ATOM 836 CB VAL A 52 3.539 1.815 -8.499 1.00 10.00 C ATOM 837 CG1 VAL A 52 3.074 0.435 -8.992 1.00 10.00 C ATOM 838 CG2 VAL A 52 3.125 1.947 -7.024 1.00 10.00 C ATOM 0 H VAL A 52 5.425 1.031 -10.532 1.00 10.00 H new ATOM 0 HA VAL A 52 5.258 3.100 -8.434 1.00 10.00 H new ATOM 0 HB VAL A 52 3.047 2.604 -9.068 1.00 10.00 H new ATOM 0 HG11 VAL A 52 2.015 0.306 -8.766 1.00 10.00 H new ATOM 0 HG12 VAL A 52 3.227 0.363 -10.069 1.00 10.00 H new ATOM 0 HG13 VAL A 52 3.650 -0.343 -8.491 1.00 10.00 H new ATOM 0 HG21 VAL A 52 2.060 1.738 -6.925 1.00 10.00 H new ATOM 0 HG22 VAL A 52 3.692 1.237 -6.422 1.00 10.00 H new ATOM 0 HG23 VAL A 52 3.330 2.960 -6.678 1.00 10.00 H new ATOM 848 N ASP A 53 6.325 1.547 -6.774 1.00 10.00 N ATOM 849 CA ASP A 53 6.970 0.704 -5.769 1.00 10.00 C ATOM 850 C ASP A 53 6.207 0.871 -4.459 1.00 10.00 C ATOM 851 O ASP A 53 5.786 1.973 -4.093 1.00 10.00 O ATOM 852 CB ASP A 53 8.452 1.052 -5.546 1.00 10.00 C ATOM 853 CG ASP A 53 9.085 0.103 -4.512 1.00 10.00 C ATOM 854 OD1 ASP A 53 9.460 -1.009 -4.935 1.00 10.00 O ATOM 855 OD2 ASP A 53 9.138 0.452 -3.304 1.00 10.00 O ATOM 0 H ASP A 53 6.167 2.500 -6.446 1.00 10.00 H new ATOM 0 HA ASP A 53 6.945 -0.326 -6.126 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.993 0.982 -6.490 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.541 2.083 -5.203 1.00 10.00 H new ATOM 860 N ILE A 54 6.068 -0.242 -3.745 1.00 10.00 N ATOM 861 CA ILE A 54 5.499 -0.281 -2.413 1.00 10.00 C ATOM 862 C ILE A 54 6.477 -1.076 -1.555 1.00 10.00 C ATOM 863 O ILE A 54 6.599 -2.297 -1.706 1.00 10.00 O ATOM 864 CB ILE A 54 4.101 -0.922 -2.429 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.139 -0.314 -3.473 1.00 10.00 C ATOM 866 CG2 ILE A 54 3.497 -0.835 -1.030 1.00 10.00 C ATOM 867 CD1 ILE A 54 1.746 -0.957 -3.448 1.00 10.00 C ATOM 0 H ILE A 54 6.356 -1.158 -4.089 1.00 10.00 H new ATOM 0 HA ILE A 54 5.361 0.722 -2.009 1.00 10.00 H new ATOM 0 HB ILE A 54 4.232 -1.961 -2.730 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.043 0.756 -3.291 1.00 10.00 H new ATOM 0 HG13 ILE A 54 3.570 -0.431 -4.468 1.00 10.00 H new ATOM 0 HG21 ILE A 54 2.505 -1.287 -1.033 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.136 -1.366 -0.324 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.418 0.211 -0.732 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.115 -0.488 -4.203 1.00 10.00 H new ATOM 0 HD12 ILE A 54 1.833 -2.023 -3.659 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.298 -0.817 -2.464 1.00 10.00 H new ATOM 879 N SER A 55 7.150 -0.367 -0.649 1.00 10.00 N ATOM 880 CA SER A 55 8.158 -0.932 0.237 1.00 10.00 C ATOM 881 C SER A 55 7.711 -0.688 1.682 1.00 10.00 C ATOM 882 O SER A 55 7.498 0.458 2.079 1.00 10.00 O ATOM 883 CB SER A 55 9.496 -0.243 -0.075 1.00 10.00 C ATOM 884 OG SER A 55 10.019 -0.670 -1.323 1.00 10.00 O ATOM 0 H SER A 55 7.005 0.633 -0.511 1.00 10.00 H new ATOM 0 HA SER A 55 8.280 -2.006 0.095 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.356 0.838 -0.088 1.00 10.00 H new ATOM 0 HB3 SER A 55 10.213 -0.462 0.716 1.00 10.00 H new ATOM 0 HG SER A 55 9.817 0.000 -2.009 1.00 10.00 H new ATOM 890 N ALA A 56 7.554 -1.761 2.469 1.00 10.00 N ATOM 891 CA ALA A 56 7.039 -1.702 3.839 1.00 10.00 C ATOM 892 C ALA A 56 7.906 -2.484 4.839 1.00 10.00 C ATOM 893 O ALA A 56 8.551 -3.467 4.476 1.00 10.00 O ATOM 894 CB ALA A 56 5.579 -2.183 3.857 1.00 10.00 C ATOM 0 H ALA A 56 7.785 -2.707 2.165 1.00 10.00 H new ATOM 0 HA ALA A 56 7.080 -0.664 4.168 1.00 10.00 H new ATOM 0 HB1 ALA A 56 5.194 -2.140 4.876 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.977 -1.541 3.214 1.00 10.00 H new ATOM 0 HB3 ALA A 56 5.530 -3.210 3.494 1.00 10.00 H new ATOM 900 N GLU A 57 7.835 -2.085 6.110 1.00 10.00 N ATOM 901 CA GLU A 57 8.419 -2.765 7.265 1.00 10.00 C ATOM 902 C GLU A 57 7.503 -2.618 8.493 1.00 10.00 C ATOM 903 O GLU A 57 6.826 -1.600 8.672 1.00 10.00 O ATOM 904 CB GLU A 57 9.831 -2.215 7.570 1.00 10.00 C ATOM 905 CG GLU A 57 10.929 -3.289 7.494 1.00 10.00 C ATOM 906 CD GLU A 57 10.841 -4.334 8.618 1.00 10.00 C ATOM 907 OE1 GLU A 57 9.786 -5.008 8.703 1.00 10.00 O ATOM 908 OE2 GLU A 57 11.829 -4.458 9.375 1.00 10.00 O ATOM 0 H GLU A 57 7.342 -1.232 6.374 1.00 10.00 H new ATOM 0 HA GLU A 57 8.513 -3.825 7.028 1.00 10.00 H new ATOM 0 HB2 GLU A 57 10.063 -1.417 6.865 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.834 -1.772 8.566 1.00 10.00 H new ATOM 0 HG2 GLU A 57 10.865 -3.796 6.531 1.00 10.00 H new ATOM 0 HG3 GLU A 57 11.904 -2.804 7.535 1.00 10.00 H new ATOM 915 N LEU A 58 7.492 -3.658 9.331 1.00 10.00 N ATOM 916 CA LEU A 58 6.608 -3.825 10.482 1.00 10.00 C ATOM 917 C LEU A 58 7.433 -4.142 11.732 1.00 10.00 C ATOM 918 O LEU A 58 7.873 -5.277 11.921 1.00 10.00 O ATOM 919 CB LEU A 58 5.576 -4.920 10.144 1.00 10.00 C ATOM 920 CG LEU A 58 4.691 -5.387 11.315 1.00 10.00 C ATOM 921 CD1 LEU A 58 3.869 -4.255 11.926 1.00 10.00 C ATOM 922 CD2 LEU A 58 3.725 -6.470 10.834 1.00 10.00 C ATOM 0 H LEU A 58 8.132 -4.444 9.217 1.00 10.00 H new ATOM 0 HA LEU A 58 6.064 -2.906 10.700 1.00 10.00 H new ATOM 0 HB2 LEU A 58 4.929 -4.551 9.348 1.00 10.00 H new ATOM 0 HB3 LEU A 58 6.108 -5.785 9.747 1.00 10.00 H new ATOM 0 HG LEU A 58 5.367 -5.769 12.080 1.00 10.00 H new ATOM 0 HD11 LEU A 58 3.266 -4.645 12.746 1.00 10.00 H new ATOM 0 HD12 LEU A 58 4.538 -3.482 12.304 1.00 10.00 H new ATOM 0 HD13 LEU A 58 3.215 -3.829 11.165 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.101 -6.797 11.666 1.00 10.00 H new ATOM 0 HD22 LEU A 58 3.093 -6.068 10.043 1.00 10.00 H new ATOM 0 HD23 LEU A 58 4.291 -7.318 10.450 1.00 10.00 H new ATOM 934 N TYR A 59 7.602 -3.158 12.619 1.00 10.00 N ATOM 935 CA TYR A 59 8.362 -3.352 13.847 1.00 10.00 C ATOM 936 C TYR A 59 7.398 -3.753 14.965 1.00 10.00 C ATOM 937 O TYR A 59 6.684 -2.920 15.524 1.00 10.00 O ATOM 938 CB TYR A 59 9.162 -2.082 14.174 1.00 10.00 C ATOM 939 CG TYR A 59 9.919 -1.499 12.992 1.00 10.00 C ATOM 940 CD1 TYR A 59 10.921 -2.245 12.338 1.00 10.00 C ATOM 941 CD2 TYR A 59 9.591 -0.213 12.521 1.00 10.00 C ATOM 942 CE1 TYR A 59 11.606 -1.696 11.237 1.00 10.00 C ATOM 943 CE2 TYR A 59 10.283 0.344 11.437 1.00 10.00 C ATOM 944 CZ TYR A 59 11.299 -0.393 10.789 1.00 10.00 C ATOM 945 OH TYR A 59 11.977 0.145 9.739 1.00 10.00 O ATOM 0 H TYR A 59 7.220 -2.219 12.505 1.00 10.00 H new ATOM 0 HA TYR A 59 9.089 -4.156 13.731 1.00 10.00 H new ATOM 0 HB2 TYR A 59 8.479 -1.326 14.562 1.00 10.00 H new ATOM 0 HB3 TYR A 59 9.872 -2.308 14.969 1.00 10.00 H new ATOM 0 HD1 TYR A 59 11.164 -3.240 12.682 1.00 10.00 H new ATOM 0 HD2 TYR A 59 8.801 0.348 12.998 1.00 10.00 H new ATOM 0 HE1 TYR A 59 12.368 -2.273 10.734 1.00 10.00 H new ATOM 0 HE2 TYR A 59 10.039 1.339 11.096 1.00 10.00 H new ATOM 0 HH TYR A 59 11.405 0.793 9.278 1.00 10.00 H new ATOM 955 N LEU A 60 7.388 -5.048 15.286 1.00 10.00 N ATOM 956 CA LEU A 60 6.679 -5.614 16.432 1.00 10.00 C ATOM 957 C LEU A 60 7.536 -5.533 17.699 1.00 10.00 C ATOM 958 O LEU A 60 8.766 -5.519 17.633 1.00 10.00 O ATOM 959 CB LEU A 60 6.275 -7.068 16.129 1.00 10.00 C ATOM 960 CG LEU A 60 5.049 -7.159 15.202 1.00 10.00 C ATOM 961 CD1 LEU A 60 4.884 -8.587 14.683 1.00 10.00 C ATOM 962 CD2 LEU A 60 3.759 -6.767 15.931 1.00 10.00 C ATOM 0 H LEU A 60 7.887 -5.750 14.740 1.00 10.00 H new ATOM 0 HA LEU A 60 5.775 -5.031 16.610 1.00 10.00 H new ATOM 0 HB2 LEU A 60 7.115 -7.586 15.667 1.00 10.00 H new ATOM 0 HB3 LEU A 60 6.058 -7.584 17.064 1.00 10.00 H new ATOM 0 HG LEU A 60 5.220 -6.467 14.377 1.00 10.00 H new ATOM 0 HD11 LEU A 60 4.014 -8.638 14.029 1.00 10.00 H new ATOM 0 HD12 LEU A 60 5.775 -8.877 14.125 1.00 10.00 H new ATOM 0 HD13 LEU A 60 4.746 -9.266 15.524 1.00 10.00 H new ATOM 0 HD21 LEU A 60 2.916 -6.843 15.245 1.00 10.00 H new ATOM 0 HD22 LEU A 60 3.601 -7.437 16.776 1.00 10.00 H new ATOM 0 HD23 LEU A 60 3.842 -5.742 16.291 1.00 10.00 H new ATOM 974 N ASP A 61 6.868 -5.456 18.852 1.00 10.00 N ATOM 975 CA ASP A 61 7.531 -5.460 20.159 1.00 10.00 C ATOM 976 C ASP A 61 8.376 -6.728 20.395 1.00 10.00 C ATOM 977 O ASP A 61 8.019 -7.824 19.960 1.00 10.00 O ATOM 978 CB ASP A 61 6.481 -5.266 21.258 1.00 10.00 C ATOM 979 CG ASP A 61 7.167 -5.149 22.614 1.00 10.00 C ATOM 980 OD1 ASP A 61 7.675 -4.047 22.908 1.00 10.00 O ATOM 981 OD2 ASP A 61 7.257 -6.193 23.295 1.00 10.00 O ATOM 0 H ASP A 61 5.852 -5.389 18.906 1.00 10.00 H new ATOM 0 HA ASP A 61 8.237 -4.630 20.185 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.894 -4.369 21.059 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.787 -6.106 21.263 1.00 10.00 H new ATOM 986 N GLU A 62 9.487 -6.591 21.132 1.00 10.00 N ATOM 987 CA GLU A 62 10.406 -7.697 21.439 1.00 10.00 C ATOM 988 C GLU A 62 9.797 -8.813 22.313 1.00 10.00 C ATOM 989 O GLU A 62 10.399 -9.880 22.428 1.00 10.00 O ATOM 990 CB GLU A 62 11.714 -7.146 22.036 1.00 10.00 C ATOM 991 CG GLU A 62 11.544 -6.401 23.369 1.00 10.00 C ATOM 992 CD GLU A 62 12.900 -5.922 23.906 1.00 10.00 C ATOM 993 OE1 GLU A 62 13.437 -4.946 23.334 1.00 10.00 O ATOM 994 OE2 GLU A 62 13.393 -6.539 24.878 1.00 10.00 O ATOM 0 H GLU A 62 9.776 -5.700 21.536 1.00 10.00 H new ATOM 0 HA GLU A 62 10.623 -8.189 20.491 1.00 10.00 H new ATOM 0 HB2 GLU A 62 12.408 -7.974 22.183 1.00 10.00 H new ATOM 0 HB3 GLU A 62 12.172 -6.471 21.313 1.00 10.00 H new ATOM 0 HG2 GLU A 62 10.881 -5.547 23.231 1.00 10.00 H new ATOM 0 HG3 GLU A 62 11.071 -7.057 24.099 1.00 10.00 H new ATOM 1001 N LEU A 63 8.598 -8.609 22.878 1.00 10.00 N ATOM 1002 CA LEU A 63 7.809 -9.622 23.582 1.00 10.00 C ATOM 1003 C LEU A 63 6.677 -10.217 22.708 1.00 10.00 C ATOM 1004 O LEU A 63 5.829 -10.943 23.226 1.00 10.00 O ATOM 1005 CB LEU A 63 7.249 -8.958 24.853 1.00 10.00 C ATOM 1006 CG LEU A 63 6.866 -9.957 25.967 1.00 10.00 C ATOM 1007 CD1 LEU A 63 7.794 -9.811 27.178 1.00 10.00 C ATOM 1008 CD2 LEU A 63 5.424 -9.739 26.435 1.00 10.00 C ATOM 0 H LEU A 63 8.137 -7.699 22.855 1.00 10.00 H new ATOM 0 HA LEU A 63 8.446 -10.470 23.834 1.00 10.00 H new ATOM 0 HB2 LEU A 63 7.991 -8.261 25.243 1.00 10.00 H new ATOM 0 HB3 LEU A 63 6.370 -8.372 24.587 1.00 10.00 H new ATOM 0 HG LEU A 63 6.965 -10.957 25.544 1.00 10.00 H new ATOM 0 HD11 LEU A 63 7.503 -10.526 27.948 1.00 10.00 H new ATOM 0 HD12 LEU A 63 8.823 -10.005 26.874 1.00 10.00 H new ATOM 0 HD13 LEU A 63 7.718 -8.799 27.575 1.00 10.00 H new ATOM 0 HD21 LEU A 63 5.184 -10.457 27.219 1.00 10.00 H new ATOM 0 HD22 LEU A 63 5.317 -8.727 26.824 1.00 10.00 H new ATOM 0 HD23 LEU A 63 4.744 -9.878 25.595 1.00 10.00 H new ATOM 1020 N SER A 64 6.633 -9.903 21.404 1.00 10.00 N ATOM 1021 CA SER A 64 5.553 -10.291 20.482 1.00 10.00 C ATOM 1022 C SER A 64 6.012 -11.291 19.406 1.00 10.00 C ATOM 1023 O SER A 64 7.156 -11.270 18.961 1.00 10.00 O ATOM 1024 CB SER A 64 4.974 -9.023 19.842 1.00 10.00 C ATOM 1025 OG SER A 64 3.850 -9.332 19.041 1.00 10.00 O ATOM 0 H SER A 64 7.366 -9.358 20.950 1.00 10.00 H new ATOM 0 HA SER A 64 4.785 -10.808 21.057 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.688 -8.316 20.620 1.00 10.00 H new ATOM 0 HB3 SER A 64 5.737 -8.537 19.234 1.00 10.00 H new ATOM 0 HG SER A 64 4.077 -9.205 18.096 1.00 10.00 H new ATOM 1031 N ASP A 65 5.075 -12.127 18.937 1.00 10.00 N ATOM 1032 CA ASP A 65 5.291 -13.259 18.032 1.00 10.00 C ATOM 1033 C ASP A 65 4.070 -13.406 17.109 1.00 10.00 C ATOM 1034 O ASP A 65 3.064 -14.017 17.467 1.00 10.00 O ATOM 1035 CB ASP A 65 5.523 -14.558 18.828 1.00 10.00 C ATOM 1036 CG ASP A 65 6.946 -14.691 19.371 1.00 10.00 C ATOM 1037 OD1 ASP A 65 7.856 -14.868 18.530 1.00 10.00 O ATOM 1038 OD2 ASP A 65 7.096 -14.681 20.613 1.00 10.00 O ATOM 0 H ASP A 65 4.093 -12.024 19.194 1.00 10.00 H new ATOM 0 HA ASP A 65 6.181 -13.072 17.431 1.00 10.00 H new ATOM 0 HB2 ASP A 65 4.820 -14.596 19.660 1.00 10.00 H new ATOM 0 HB3 ASP A 65 5.305 -15.412 18.187 1.00 10.00 H new ATOM 1043 N ALA A 66 4.165 -12.809 15.919 1.00 10.00 N ATOM 1044 CA ALA A 66 3.177 -12.897 14.841 1.00 10.00 C ATOM 1045 C ALA A 66 3.656 -13.809 13.686 1.00 10.00 C ATOM 1046 O ALA A 66 4.701 -14.454 13.786 1.00 10.00 O ATOM 1047 CB ALA A 66 2.852 -11.473 14.372 1.00 10.00 C ATOM 0 H ALA A 66 4.965 -12.227 15.670 1.00 10.00 H new ATOM 0 HA ALA A 66 2.267 -13.367 15.214 1.00 10.00 H new ATOM 0 HB1 ALA A 66 2.117 -11.514 13.568 1.00 10.00 H new ATOM 0 HB2 ALA A 66 2.447 -10.899 15.205 1.00 10.00 H new ATOM 0 HB3 ALA A 66 3.761 -10.993 14.009 1.00 10.00 H new ATOM 1053 N ASP A 67 2.926 -13.849 12.564 1.00 10.00 N ATOM 1054 CA ASP A 67 3.158 -14.848 11.515 1.00 10.00 C ATOM 1055 C ASP A 67 4.264 -14.408 10.526 1.00 10.00 C ATOM 1056 O ASP A 67 4.343 -13.223 10.178 1.00 10.00 O ATOM 1057 CB ASP A 67 1.860 -15.052 10.714 1.00 10.00 C ATOM 1058 CG ASP A 67 0.648 -15.346 11.598 1.00 10.00 C ATOM 1059 OD1 ASP A 67 0.118 -14.363 12.165 1.00 10.00 O ATOM 1060 OD2 ASP A 67 0.269 -16.534 11.682 1.00 10.00 O ATOM 0 H ASP A 67 2.167 -13.198 12.360 1.00 10.00 H new ATOM 0 HA ASP A 67 3.475 -15.768 12.006 1.00 10.00 H new ATOM 0 HB2 ASP A 67 1.662 -14.159 10.122 1.00 10.00 H new ATOM 0 HB3 ASP A 67 1.999 -15.875 10.013 1.00 10.00 H new ATOM 1065 N PRO A 68 5.094 -15.352 10.017 1.00 10.00 N ATOM 1066 CA PRO A 68 6.296 -15.100 9.200 1.00 10.00 C ATOM 1067 C PRO A 68 5.993 -14.670 7.744 1.00 10.00 C ATOM 1068 O PRO A 68 6.582 -15.163 6.785 1.00 10.00 O ATOM 1069 CB PRO A 68 7.120 -16.393 9.307 1.00 10.00 C ATOM 1070 CG PRO A 68 6.047 -17.468 9.427 1.00 10.00 C ATOM 1071 CD PRO A 68 5.003 -16.781 10.304 1.00 10.00 C ATOM 0 HA PRO A 68 6.852 -14.239 9.572 1.00 10.00 H new ATOM 0 HB2 PRO A 68 7.749 -16.546 8.430 1.00 10.00 H new ATOM 0 HB3 PRO A 68 7.780 -16.382 10.174 1.00 10.00 H new ATOM 0 HG2 PRO A 68 5.642 -17.749 8.455 1.00 10.00 H new ATOM 0 HG3 PRO A 68 6.431 -18.378 9.888 1.00 10.00 H new ATOM 0 HD2 PRO A 68 4.004 -17.158 10.085 1.00 10.00 H new ATOM 0 HD3 PRO A 68 5.193 -16.977 11.359 1.00 10.00 H new ATOM 1079 N GLY A 69 5.053 -13.738 7.597 1.00 10.00 N ATOM 1080 CA GLY A 69 4.601 -13.133 6.340 1.00 10.00 C ATOM 1081 C GLY A 69 3.462 -12.111 6.499 1.00 10.00 C ATOM 1082 O GLY A 69 2.917 -11.652 5.498 1.00 10.00 O ATOM 0 H GLY A 69 4.554 -13.360 8.402 1.00 10.00 H new ATOM 0 HA2 GLY A 69 5.449 -12.642 5.862 1.00 10.00 H new ATOM 0 HA3 GLY A 69 4.271 -13.925 5.668 1.00 10.00 H new ATOM 1086 N ILE A 70 3.096 -11.733 7.734 1.00 10.00 N ATOM 1087 CA ILE A 70 1.913 -10.924 8.048 1.00 10.00 C ATOM 1088 C ILE A 70 1.904 -9.540 7.369 1.00 10.00 C ATOM 1089 O ILE A 70 0.841 -9.045 6.996 1.00 10.00 O ATOM 1090 CB ILE A 70 1.805 -10.857 9.589 1.00 10.00 C ATOM 1091 CG1 ILE A 70 0.364 -10.588 10.046 1.00 10.00 C ATOM 1092 CG2 ILE A 70 2.800 -9.862 10.215 1.00 10.00 C ATOM 1093 CD1 ILE A 70 0.216 -10.797 11.557 1.00 10.00 C ATOM 0 H ILE A 70 3.631 -11.990 8.563 1.00 10.00 H new ATOM 0 HA ILE A 70 1.024 -11.398 7.632 1.00 10.00 H new ATOM 0 HB ILE A 70 2.087 -11.843 9.960 1.00 10.00 H new ATOM 0 HG12 ILE A 70 0.082 -9.567 9.788 1.00 10.00 H new ATOM 0 HG13 ILE A 70 -0.319 -11.251 9.515 1.00 10.00 H new ATOM 0 HG21 ILE A 70 2.678 -9.858 11.298 1.00 10.00 H new ATOM 0 HG22 ILE A 70 3.818 -10.160 9.966 1.00 10.00 H new ATOM 0 HG23 ILE A 70 2.609 -8.862 9.825 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -0.814 -10.600 11.852 1.00 10.00 H new ATOM 0 HD12 ILE A 70 0.475 -11.825 11.809 1.00 10.00 H new ATOM 0 HD13 ILE A 70 0.882 -10.115 12.086 1.00 10.00 H new ATOM 1105 N VAL A 71 3.088 -8.938 7.178 1.00 10.00 N ATOM 1106 CA VAL A 71 3.288 -7.699 6.413 1.00 10.00 C ATOM 1107 C VAL A 71 3.470 -7.943 4.916 1.00 10.00 C ATOM 1108 O VAL A 71 2.972 -7.144 4.131 1.00 10.00 O ATOM 1109 CB VAL A 71 4.442 -6.863 7.000 1.00 10.00 C ATOM 1110 CG1 VAL A 71 5.785 -7.607 7.075 1.00 10.00 C ATOM 1111 CG2 VAL A 71 4.651 -5.536 6.257 1.00 10.00 C ATOM 0 H VAL A 71 3.956 -9.311 7.562 1.00 10.00 H new ATOM 0 HA VAL A 71 2.369 -7.121 6.512 1.00 10.00 H new ATOM 0 HB VAL A 71 4.116 -6.660 8.020 1.00 10.00 H new ATOM 0 HG11 VAL A 71 6.543 -6.948 7.499 1.00 10.00 H new ATOM 0 HG12 VAL A 71 5.677 -8.490 7.705 1.00 10.00 H new ATOM 0 HG13 VAL A 71 6.089 -7.911 6.073 1.00 10.00 H new ATOM 0 HG21 VAL A 71 5.476 -4.989 6.714 1.00 10.00 H new ATOM 0 HG22 VAL A 71 4.884 -5.737 5.211 1.00 10.00 H new ATOM 0 HG23 VAL A 71 3.742 -4.938 6.318 1.00 10.00 H new ATOM 1121 N ASP A 72 4.105 -9.046 4.502 1.00 10.00 N ATOM 1122 CA ASP A 72 4.230 -9.412 3.084 1.00 10.00 C ATOM 1123 C ASP A 72 2.843 -9.566 2.442 1.00 10.00 C ATOM 1124 O ASP A 72 2.592 -9.015 1.368 1.00 10.00 O ATOM 1125 CB ASP A 72 5.068 -10.692 2.963 1.00 10.00 C ATOM 1126 CG ASP A 72 5.391 -11.026 1.506 1.00 10.00 C ATOM 1127 OD1 ASP A 72 6.124 -10.221 0.890 1.00 10.00 O ATOM 1128 OD2 ASP A 72 4.918 -12.086 1.040 1.00 10.00 O ATOM 0 H ASP A 72 4.546 -9.710 5.139 1.00 10.00 H new ATOM 0 HA ASP A 72 4.742 -8.618 2.541 1.00 10.00 H new ATOM 0 HB2 ASP A 72 5.996 -10.573 3.522 1.00 10.00 H new ATOM 0 HB3 ASP A 72 4.528 -11.524 3.415 1.00 10.00 H new ATOM 1133 N GLU A 73 1.900 -10.166 3.185 1.00 10.00 N ATOM 1134 CA GLU A 73 0.492 -10.217 2.794 1.00 10.00 C ATOM 1135 C GLU A 73 -0.146 -8.821 2.732 1.00 10.00 C ATOM 1136 O GLU A 73 -1.001 -8.603 1.878 1.00 10.00 O ATOM 1137 CB GLU A 73 -0.320 -11.049 3.795 1.00 10.00 C ATOM 1138 CG GLU A 73 -0.179 -12.570 3.662 1.00 10.00 C ATOM 1139 CD GLU A 73 -1.243 -13.261 4.525 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -2.449 -12.974 4.340 1.00 10.00 O ATOM 1141 OE2 GLU A 73 -0.901 -14.007 5.468 1.00 10.00 O ATOM 0 H GLU A 73 2.097 -10.628 4.073 1.00 10.00 H new ATOM 0 HA GLU A 73 0.471 -10.669 1.803 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -0.023 -10.762 4.804 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -1.373 -10.789 3.686 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -0.293 -12.866 2.619 1.00 10.00 H new ATOM 0 HG3 GLU A 73 0.817 -12.882 3.975 1.00 10.00 H new ATOM 1148 N ALA A 74 0.258 -7.861 3.578 1.00 10.00 N ATOM 1149 CA ALA A 74 -0.259 -6.496 3.488 1.00 10.00 C ATOM 1150 C ALA A 74 0.197 -5.808 2.195 1.00 10.00 C ATOM 1151 O ALA A 74 -0.618 -5.180 1.514 1.00 10.00 O ATOM 1152 CB ALA A 74 0.177 -5.687 4.714 1.00 10.00 C ATOM 0 H ALA A 74 0.936 -8.008 4.325 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.348 -6.546 3.466 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.213 -4.672 4.638 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -0.211 -6.158 5.617 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.266 -5.655 4.760 1.00 10.00 H new ATOM 1158 N VAL A 75 1.483 -5.945 1.833 1.00 10.00 N ATOM 1159 CA VAL A 75 2.012 -5.341 0.607 1.00 10.00 C ATOM 1160 C VAL A 75 1.389 -6.003 -0.628 1.00 10.00 C ATOM 1161 O VAL A 75 0.893 -5.303 -1.506 1.00 10.00 O ATOM 1162 CB VAL A 75 3.555 -5.377 0.531 1.00 10.00 C ATOM 1163 CG1 VAL A 75 4.026 -4.181 -0.297 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.283 -5.268 1.876 1.00 10.00 C ATOM 0 H VAL A 75 2.172 -6.469 2.373 1.00 10.00 H new ATOM 0 HA VAL A 75 1.731 -4.288 0.629 1.00 10.00 H new ATOM 0 HB VAL A 75 3.795 -6.351 0.104 1.00 10.00 H new ATOM 0 HG11 VAL A 75 5.114 -4.189 -0.362 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.602 -4.243 -1.299 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.698 -3.257 0.179 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.360 -5.303 1.711 1.00 10.00 H new ATOM 0 HG22 VAL A 75 4.020 -4.326 2.357 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.987 -6.098 2.518 1.00 10.00 H new ATOM 1174 N ASP A 76 1.303 -7.339 -0.653 1.00 10.00 N ATOM 1175 CA ASP A 76 0.613 -8.125 -1.683 1.00 10.00 C ATOM 1176 C ASP A 76 -0.876 -7.754 -1.791 1.00 10.00 C ATOM 1177 O ASP A 76 -1.382 -7.593 -2.902 1.00 10.00 O ATOM 1178 CB ASP A 76 0.783 -9.613 -1.332 1.00 10.00 C ATOM 1179 CG ASP A 76 -0.196 -10.527 -2.068 1.00 10.00 C ATOM 1180 OD1 ASP A 76 -0.163 -10.585 -3.315 1.00 10.00 O ATOM 1181 OD2 ASP A 76 -1.047 -11.147 -1.393 1.00 10.00 O ATOM 0 H ASP A 76 1.727 -7.922 0.068 1.00 10.00 H new ATOM 0 HA ASP A 76 1.052 -7.909 -2.657 1.00 10.00 H new ATOM 0 HB2 ASP A 76 1.802 -9.920 -1.568 1.00 10.00 H new ATOM 0 HB3 ASP A 76 0.652 -9.742 -0.258 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.565 -7.530 -0.666 1.00 10.00 N ATOM 1187 CA ALA A 77 -2.948 -7.061 -0.673 1.00 10.00 C ATOM 1188 C ALA A 77 -3.063 -5.676 -1.314 1.00 10.00 C ATOM 1189 O ALA A 77 -3.958 -5.469 -2.131 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.514 -7.074 0.749 1.00 10.00 C ATOM 0 H ALA A 77 -1.179 -7.669 0.268 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.542 -7.742 -1.283 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.546 -6.723 0.733 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.483 -8.089 1.144 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.917 -6.419 1.384 1.00 10.00 H new ATOM 1196 N ALA A 78 -2.140 -4.753 -1.019 1.00 10.00 N ATOM 1197 CA ALA A 78 -2.082 -3.468 -1.708 1.00 10.00 C ATOM 1198 C ALA A 78 -1.760 -3.617 -3.206 1.00 10.00 C ATOM 1199 O ALA A 78 -2.437 -2.984 -4.018 1.00 10.00 O ATOM 1200 CB ALA A 78 -1.094 -2.551 -0.983 1.00 10.00 C ATOM 0 H ALA A 78 -1.423 -4.877 -0.304 1.00 10.00 H new ATOM 0 HA ALA A 78 -3.070 -3.009 -1.675 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -1.047 -1.590 -1.494 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.425 -2.400 0.045 1.00 10.00 H new ATOM 0 HB3 ALA A 78 -0.105 -3.010 -0.982 1.00 10.00 H new ATOM 1206 N TYR A 79 -0.804 -4.477 -3.599 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.476 -4.665 -5.018 1.00 10.00 C ATOM 1208 C TYR A 79 -1.629 -5.311 -5.804 1.00 10.00 C ATOM 1209 O TYR A 79 -2.030 -4.778 -6.840 1.00 10.00 O ATOM 1210 CB TYR A 79 0.748 -5.597 -5.141 1.00 10.00 C ATOM 1211 CG TYR A 79 2.106 -4.981 -4.855 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.603 -3.997 -5.732 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.906 -5.441 -3.785 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.882 -3.446 -5.533 1.00 10.00 C ATOM 1215 CE2 TYR A 79 4.194 -4.894 -3.592 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.678 -3.882 -4.455 1.00 10.00 C ATOM 1217 OH TYR A 79 5.883 -3.281 -4.239 1.00 10.00 O ATOM 0 H TYR A 79 -0.251 -5.047 -2.959 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.277 -3.677 -5.432 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.606 -6.437 -4.461 1.00 10.00 H new ATOM 0 HB3 TYR A 79 0.765 -6.004 -6.152 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.998 -3.663 -6.562 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.535 -6.206 -3.119 1.00 10.00 H new ATOM 0 HE1 TYR A 79 4.254 -2.688 -6.207 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.813 -5.250 -2.782 1.00 10.00 H new ATOM 0 HH TYR A 79 5.974 -3.063 -3.288 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.277 -6.348 -5.254 1.00 10.00 N ATOM 1228 CA ARG A 80 -3.433 -6.987 -5.896 1.00 10.00 C ATOM 1229 C ARG A 80 -4.691 -6.121 -5.840 1.00 10.00 C ATOM 1230 O ARG A 80 -5.482 -6.138 -6.785 1.00 10.00 O ATOM 1231 CB ARG A 80 -3.620 -8.425 -5.390 1.00 10.00 C ATOM 1232 CG ARG A 80 -2.446 -9.294 -5.890 1.00 10.00 C ATOM 1233 CD ARG A 80 -2.690 -10.798 -5.734 1.00 10.00 C ATOM 1234 NE ARG A 80 -2.600 -11.226 -4.329 1.00 10.00 N ATOM 1235 CZ ARG A 80 -3.454 -11.972 -3.642 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -4.560 -12.442 -4.175 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -3.214 -12.271 -2.393 1.00 10.00 N ATOM 0 H ARG A 80 -2.017 -6.764 -4.360 1.00 10.00 H new ATOM 0 HA ARG A 80 -3.224 -7.074 -6.962 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -3.660 -8.438 -4.301 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -4.566 -8.830 -5.749 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -2.261 -9.071 -6.941 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -1.544 -9.022 -5.343 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -3.675 -11.049 -6.127 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -1.960 -11.348 -6.328 1.00 10.00 H new ATOM 0 HE ARG A 80 -1.776 -10.908 -3.819 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -4.785 -12.236 -5.148 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -5.193 -13.013 -3.615 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -2.366 -11.930 -1.941 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -3.875 -12.845 -1.870 1.00 10.00 H new ATOM 1251 N SER A 81 -4.844 -5.291 -4.800 1.00 10.00 N ATOM 1252 CA SER A 81 -5.887 -4.266 -4.771 1.00 10.00 C ATOM 1253 C SER A 81 -5.656 -3.257 -5.898 1.00 10.00 C ATOM 1254 O SER A 81 -6.579 -3.043 -6.684 1.00 10.00 O ATOM 1255 CB SER A 81 -5.939 -3.558 -3.413 1.00 10.00 C ATOM 1256 OG SER A 81 -6.961 -2.582 -3.413 1.00 10.00 O ATOM 0 H SER A 81 -4.255 -5.312 -3.967 1.00 10.00 H new ATOM 0 HA SER A 81 -6.850 -4.754 -4.922 1.00 10.00 H new ATOM 0 HB2 SER A 81 -6.120 -4.285 -2.622 1.00 10.00 H new ATOM 0 HB3 SER A 81 -4.978 -3.089 -3.201 1.00 10.00 H new ATOM 0 HG SER A 81 -6.987 -2.136 -2.541 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.431 -2.733 -6.055 1.00 10.00 N ATOM 1263 CA LEU A 82 -4.069 -1.818 -7.141 1.00 10.00 C ATOM 1264 C LEU A 82 -4.311 -2.429 -8.528 1.00 10.00 C ATOM 1265 O LEU A 82 -4.886 -1.765 -9.392 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.597 -1.397 -6.979 1.00 10.00 C ATOM 1267 CG LEU A 82 -2.159 -0.225 -7.878 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -2.908 1.078 -7.572 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -0.660 0.015 -7.686 1.00 10.00 C ATOM 0 H LEU A 82 -3.657 -2.937 -5.423 1.00 10.00 H new ATOM 0 HA LEU A 82 -4.714 -0.942 -7.074 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.424 -1.123 -5.938 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -1.962 -2.257 -7.192 1.00 10.00 H new ATOM 0 HG LEU A 82 -2.393 -0.503 -8.906 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -2.555 1.866 -8.238 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -3.977 0.927 -7.723 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -2.725 1.369 -6.538 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -0.340 0.843 -8.318 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -0.461 0.258 -6.642 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -0.109 -0.885 -7.960 1.00 10.00 H new ATOM 1281 N GLU A 83 -3.933 -3.697 -8.731 1.00 10.00 N ATOM 1282 CA GLU A 83 -4.210 -4.406 -9.985 1.00 10.00 C ATOM 1283 C GLU A 83 -5.721 -4.509 -10.247 1.00 10.00 C ATOM 1284 O GLU A 83 -6.161 -4.193 -11.350 1.00 10.00 O ATOM 1285 CB GLU A 83 -3.612 -5.821 -9.907 1.00 10.00 C ATOM 1286 CG GLU A 83 -2.074 -5.857 -9.941 1.00 10.00 C ATOM 1287 CD GLU A 83 -1.512 -7.135 -9.296 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -2.148 -8.202 -9.456 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -0.454 -7.035 -8.635 1.00 10.00 O ATOM 0 H GLU A 83 -3.432 -4.255 -8.039 1.00 10.00 H new ATOM 0 HA GLU A 83 -3.759 -3.845 -10.803 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -3.956 -6.299 -8.989 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -3.997 -6.413 -10.738 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -1.733 -5.792 -10.974 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -1.680 -4.985 -9.420 1.00 10.00 H new ATOM 1296 N SER A 84 -6.529 -4.795 -9.213 1.00 10.00 N ATOM 1297 CA SER A 84 -7.996 -4.820 -9.321 1.00 10.00 C ATOM 1298 C SER A 84 -8.603 -3.430 -9.560 1.00 10.00 C ATOM 1299 O SER A 84 -9.624 -3.285 -10.229 1.00 10.00 O ATOM 1300 CB SER A 84 -8.605 -5.462 -8.066 1.00 10.00 C ATOM 1301 OG SER A 84 -8.620 -4.596 -6.943 1.00 10.00 O ATOM 0 H SER A 84 -6.183 -5.015 -8.279 1.00 10.00 H new ATOM 0 HA SER A 84 -8.241 -5.421 -10.197 1.00 10.00 H new ATOM 0 HB2 SER A 84 -9.625 -5.777 -8.286 1.00 10.00 H new ATOM 0 HB3 SER A 84 -8.041 -6.360 -7.816 1.00 10.00 H new ATOM 0 HG SER A 84 -7.862 -3.977 -6.997 1.00 10.00 H new ATOM 1307 N PHE A 85 -7.962 -2.391 -9.022 1.00 10.00 N ATOM 1308 CA PHE A 85 -8.427 -1.015 -9.089 1.00 10.00 C ATOM 1309 C PHE A 85 -8.182 -0.407 -10.470 1.00 10.00 C ATOM 1310 O PHE A 85 -9.080 0.222 -11.026 1.00 10.00 O ATOM 1311 CB PHE A 85 -7.689 -0.247 -7.989 1.00 10.00 C ATOM 1312 CG PHE A 85 -8.073 1.203 -7.819 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -9.410 1.548 -7.556 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -7.078 2.195 -7.840 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -9.737 2.879 -7.240 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -7.408 3.529 -7.557 1.00 10.00 C ATOM 1317 CZ PHE A 85 -8.734 3.868 -7.229 1.00 10.00 C ATOM 0 H PHE A 85 -7.082 -2.492 -8.515 1.00 10.00 H new ATOM 0 HA PHE A 85 -9.505 -0.962 -8.933 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -7.856 -0.759 -7.042 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -6.620 -0.297 -8.194 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -10.183 0.795 -7.596 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -6.058 1.930 -8.074 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -10.758 3.143 -7.006 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -6.646 4.294 -7.591 1.00 10.00 H new ATOM 0 HZ PHE A 85 -8.983 4.886 -6.969 1.00 10.00 H new ATOM 1327 N LEU A 86 -7.009 -0.662 -11.065 1.00 10.00 N ATOM 1328 CA LEU A 86 -6.738 -0.279 -12.450 1.00 10.00 C ATOM 1329 C LEU A 86 -7.492 -1.178 -13.437 1.00 10.00 C ATOM 1330 O LEU A 86 -7.968 -0.663 -14.448 1.00 10.00 O ATOM 1331 CB LEU A 86 -5.227 -0.272 -12.727 1.00 10.00 C ATOM 1332 CG LEU A 86 -4.481 1.018 -12.305 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -4.818 2.192 -13.232 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -4.732 1.473 -10.860 1.00 10.00 C ATOM 0 H LEU A 86 -6.232 -1.134 -10.603 1.00 10.00 H new ATOM 0 HA LEU A 86 -7.107 0.736 -12.598 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -4.776 -1.118 -12.209 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -5.069 -0.430 -13.794 1.00 10.00 H new ATOM 0 HG LEU A 86 -3.430 0.740 -12.383 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -4.277 3.080 -12.906 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -4.527 1.944 -14.253 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -5.890 2.387 -13.197 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -4.166 2.383 -10.662 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -5.795 1.669 -10.720 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -4.413 0.690 -10.172 1.00 10.00 H new