USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 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 33 LYS NZ :NH3+ -178:sc= 2.24 (180deg=0.996) USER MOD Set 1.2: A 64 SER OG : rot 1:sc= 2.14 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.328 USER MOD Single : A 15 SER OG : rot -127:sc= 0.312 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 20 ASN : amide:sc= 0.13 X(o=0.13,f=-0.11) USER MOD Single : A 21 THR OG1 : rot 95:sc= 1.26 USER MOD Single : A 23 SER OG : rot -111:sc= 1.21 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0694 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 -92:sc= 1.07 USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= 1.2 (180deg=0.97) USER MOD Single : A 55 SER OG : rot -57:sc= 0.791 USER MOD Single : A 59 TYR OH : rot 45:sc= 1.01 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -21:sc= 0.0857 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -4.182 12.101 -13.621 1.00 10.00 N ATOM 95 CA LEU A 6 -3.187 11.931 -12.564 1.00 10.00 C ATOM 96 C LEU A 6 -2.195 13.105 -12.556 1.00 10.00 C ATOM 97 O LEU A 6 -1.632 13.458 -13.590 1.00 10.00 O ATOM 98 CB LEU A 6 -2.462 10.585 -12.734 1.00 10.00 C ATOM 99 CG LEU A 6 -3.364 9.338 -12.613 1.00 10.00 C ATOM 100 CD1 LEU A 6 -2.497 8.078 -12.682 1.00 10.00 C ATOM 101 CD2 LEU A 6 -4.166 9.320 -11.309 1.00 10.00 C ATOM 0 HA LEU A 6 -3.695 11.925 -11.599 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -1.978 10.571 -13.710 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -1.672 10.518 -11.986 1.00 10.00 H new ATOM 0 HG LEU A 6 -4.075 9.369 -13.439 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -3.131 7.195 -12.597 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -1.966 8.053 -13.634 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -1.776 8.087 -11.865 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -4.784 8.423 -11.274 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -3.481 9.323 -10.461 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -4.805 10.202 -11.262 1.00 10.00 H new ATOM 113 N THR A 7 -2.011 13.724 -11.385 1.00 10.00 N ATOM 114 CA THR A 7 -1.162 14.900 -11.168 1.00 10.00 C ATOM 115 C THR A 7 -0.747 14.982 -9.693 1.00 10.00 C ATOM 116 O THR A 7 -0.993 14.042 -8.935 1.00 10.00 O ATOM 117 CB THR A 7 -1.910 16.162 -11.644 1.00 10.00 C ATOM 118 OG1 THR A 7 -1.031 17.266 -11.717 1.00 10.00 O ATOM 119 CG2 THR A 7 -3.119 16.543 -10.779 1.00 10.00 C ATOM 0 H THR A 7 -2.467 13.407 -10.529 1.00 10.00 H new ATOM 0 HA THR A 7 -0.245 14.819 -11.751 1.00 10.00 H new ATOM 0 HB THR A 7 -2.294 15.908 -12.632 1.00 10.00 H new ATOM 0 HG1 THR A 7 -1.523 18.056 -12.022 1.00 10.00 H new ATOM 0 HG21 THR A 7 -3.587 17.441 -11.183 1.00 10.00 H new ATOM 0 HG22 THR A 7 -3.840 15.725 -10.781 1.00 10.00 H new ATOM 0 HG23 THR A 7 -2.790 16.734 -9.758 1.00 10.00 H new ATOM 127 N GLU A 8 -0.180 16.121 -9.284 1.00 10.00 N ATOM 128 CA GLU A 8 0.371 16.477 -7.966 1.00 10.00 C ATOM 129 C GLU A 8 -0.712 16.622 -6.866 1.00 10.00 C ATOM 130 O GLU A 8 -0.664 17.509 -6.013 1.00 10.00 O ATOM 131 CB GLU A 8 1.242 17.753 -8.094 1.00 10.00 C ATOM 132 CG GLU A 8 1.985 17.982 -9.428 1.00 10.00 C ATOM 133 CD GLU A 8 2.639 16.730 -10.026 1.00 10.00 C ATOM 134 OE1 GLU A 8 3.642 16.263 -9.444 1.00 10.00 O ATOM 135 OE2 GLU A 8 2.107 16.265 -11.065 1.00 10.00 O ATOM 0 H GLU A 8 -0.084 16.901 -9.934 1.00 10.00 H new ATOM 0 HA GLU A 8 0.998 15.649 -7.637 1.00 10.00 H new ATOM 0 HB2 GLU A 8 0.601 18.616 -7.914 1.00 10.00 H new ATOM 0 HB3 GLU A 8 1.984 17.735 -7.295 1.00 10.00 H new ATOM 0 HG2 GLU A 8 1.281 18.388 -10.154 1.00 10.00 H new ATOM 0 HG3 GLU A 8 2.755 18.738 -9.273 1.00 10.00 H new ATOM 142 N GLY A 9 -1.732 15.766 -6.940 1.00 10.00 N ATOM 143 CA GLY A 9 -2.761 15.552 -5.934 1.00 10.00 C ATOM 144 C GLY A 9 -3.376 14.161 -6.077 1.00 10.00 C ATOM 145 O GLY A 9 -3.515 13.436 -5.100 1.00 10.00 O ATOM 0 H GLY A 9 -1.866 15.169 -7.756 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -2.332 15.665 -4.938 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -3.538 16.310 -6.034 1.00 10.00 H new ATOM 149 N ASP A 10 -3.698 13.757 -7.307 1.00 10.00 N ATOM 150 CA ASP A 10 -4.218 12.429 -7.639 1.00 10.00 C ATOM 151 C ASP A 10 -3.164 11.312 -7.492 1.00 10.00 C ATOM 152 O ASP A 10 -3.499 10.208 -7.067 1.00 10.00 O ATOM 153 CB ASP A 10 -4.753 12.476 -9.076 1.00 10.00 C ATOM 154 CG ASP A 10 -5.942 13.427 -9.250 1.00 10.00 C ATOM 155 OD1 ASP A 10 -5.805 14.640 -8.970 1.00 10.00 O ATOM 156 OD2 ASP A 10 -7.031 12.961 -9.641 1.00 10.00 O ATOM 0 H ASP A 10 -3.602 14.362 -8.123 1.00 10.00 H new ATOM 0 HA ASP A 10 -5.011 12.184 -6.932 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -3.950 12.784 -9.745 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -5.052 11.472 -9.378 1.00 10.00 H new ATOM 161 N LEU A 11 -1.886 11.579 -7.796 1.00 10.00 N ATOM 162 CA LEU A 11 -0.796 10.632 -7.525 1.00 10.00 C ATOM 163 C LEU A 11 -0.584 10.467 -6.011 1.00 10.00 C ATOM 164 O LEU A 11 -0.444 9.347 -5.516 1.00 10.00 O ATOM 165 CB LEU A 11 0.494 11.118 -8.213 1.00 10.00 C ATOM 166 CG LEU A 11 0.449 11.061 -9.754 1.00 10.00 C ATOM 167 CD1 LEU A 11 1.665 11.781 -10.341 1.00 10.00 C ATOM 168 CD2 LEU A 11 0.448 9.619 -10.278 1.00 10.00 C ATOM 0 H LEU A 11 -1.581 12.449 -8.232 1.00 10.00 H new ATOM 0 HA LEU A 11 -1.063 9.656 -7.930 1.00 10.00 H new ATOM 0 HB2 LEU A 11 0.693 12.144 -7.904 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.330 10.512 -7.862 1.00 10.00 H new ATOM 0 HG LEU A 11 -0.477 11.547 -10.062 1.00 10.00 H new ATOM 0 HD11 LEU A 11 1.624 11.735 -11.429 1.00 10.00 H new ATOM 0 HD12 LEU A 11 1.660 12.823 -10.021 1.00 10.00 H new ATOM 0 HD13 LEU A 11 2.578 11.298 -9.991 1.00 10.00 H new ATOM 0 HD21 LEU A 11 0.416 9.628 -11.367 1.00 10.00 H new ATOM 0 HD22 LEU A 11 1.353 9.111 -9.946 1.00 10.00 H new ATOM 0 HD23 LEU A 11 -0.426 9.093 -9.893 1.00 10.00 H new ATOM 180 N ASP A 12 -0.624 11.580 -5.273 1.00 10.00 N ATOM 181 CA ASP A 12 -0.594 11.619 -3.815 1.00 10.00 C ATOM 182 C ASP A 12 -1.802 10.891 -3.205 1.00 10.00 C ATOM 183 O ASP A 12 -1.631 10.148 -2.242 1.00 10.00 O ATOM 184 CB ASP A 12 -0.532 13.083 -3.344 1.00 10.00 C ATOM 185 CG ASP A 12 0.550 13.889 -4.071 1.00 10.00 C ATOM 186 OD1 ASP A 12 0.345 14.156 -5.280 1.00 10.00 O ATOM 187 OD2 ASP A 12 1.567 14.206 -3.417 1.00 10.00 O ATOM 0 H ASP A 12 -0.680 12.508 -5.692 1.00 10.00 H new ATOM 0 HA ASP A 12 0.297 11.095 -3.470 1.00 10.00 H new ATOM 0 HB2 ASP A 12 -1.501 13.554 -3.505 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -0.340 13.108 -2.271 1.00 10.00 H new ATOM 192 N GLU A 13 -3.001 11.036 -3.789 1.00 10.00 N ATOM 193 CA GLU A 13 -4.195 10.264 -3.426 1.00 10.00 C ATOM 194 C GLU A 13 -3.971 8.761 -3.617 1.00 10.00 C ATOM 195 O GLU A 13 -4.270 8.009 -2.695 1.00 10.00 O ATOM 196 CB GLU A 13 -5.421 10.772 -4.210 1.00 10.00 C ATOM 197 CG GLU A 13 -6.774 10.210 -3.732 1.00 10.00 C ATOM 198 CD GLU A 13 -7.075 8.758 -4.149 1.00 10.00 C ATOM 199 OE1 GLU A 13 -6.681 8.369 -5.271 1.00 10.00 O ATOM 200 OE2 GLU A 13 -7.745 8.067 -3.349 1.00 10.00 O ATOM 0 H GLU A 13 -3.169 11.705 -4.540 1.00 10.00 H new ATOM 0 HA GLU A 13 -4.393 10.415 -2.365 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -5.452 11.860 -4.143 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -5.291 10.521 -5.263 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -6.809 10.272 -2.644 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -7.569 10.851 -4.113 1.00 10.00 H new ATOM 207 N ILE A 14 -3.360 8.321 -4.726 1.00 10.00 N ATOM 208 CA ILE A 14 -3.056 6.897 -4.940 1.00 10.00 C ATOM 209 C ILE A 14 -2.037 6.393 -3.910 1.00 10.00 C ATOM 210 O ILE A 14 -2.276 5.358 -3.285 1.00 10.00 O ATOM 211 CB ILE A 14 -2.578 6.650 -6.389 1.00 10.00 C ATOM 212 CG1 ILE A 14 -3.787 6.786 -7.339 1.00 10.00 C ATOM 213 CG2 ILE A 14 -1.921 5.262 -6.558 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.425 6.794 -8.828 1.00 10.00 C ATOM 0 H ILE A 14 -3.066 8.930 -5.490 1.00 10.00 H new ATOM 0 HA ILE A 14 -3.972 6.324 -4.796 1.00 10.00 H new ATOM 0 HB ILE A 14 -1.817 7.392 -6.631 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.477 5.963 -7.150 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.318 7.708 -7.102 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -1.601 5.134 -7.592 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.056 5.186 -5.899 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -2.641 4.485 -6.302 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.333 6.893 -9.423 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -2.761 7.633 -9.037 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -2.923 5.862 -9.085 1.00 10.00 H new ATOM 226 N SER A 15 -0.929 7.112 -3.682 1.00 10.00 N ATOM 227 CA SER A 15 0.023 6.728 -2.629 1.00 10.00 C ATOM 228 C SER A 15 -0.646 6.731 -1.243 1.00 10.00 C ATOM 229 O SER A 15 -0.469 5.784 -0.478 1.00 10.00 O ATOM 230 CB SER A 15 1.294 7.594 -2.673 1.00 10.00 C ATOM 231 OG SER A 15 2.299 6.924 -3.417 1.00 10.00 O ATOM 0 H SER A 15 -0.672 7.950 -4.203 1.00 10.00 H new ATOM 0 HA SER A 15 0.341 5.703 -2.822 1.00 10.00 H new ATOM 0 HB2 SER A 15 1.073 8.560 -3.128 1.00 10.00 H new ATOM 0 HB3 SER A 15 1.647 7.792 -1.661 1.00 10.00 H new ATOM 0 HG SER A 15 3.120 6.872 -2.884 1.00 10.00 H new ATOM 237 N SER A 16 -1.493 7.720 -0.935 1.00 10.00 N ATOM 238 CA SER A 16 -2.282 7.761 0.303 1.00 10.00 C ATOM 239 C SER A 16 -3.237 6.565 0.426 1.00 10.00 C ATOM 240 O SER A 16 -3.283 5.927 1.477 1.00 10.00 O ATOM 241 CB SER A 16 -3.057 9.081 0.373 1.00 10.00 C ATOM 242 OG SER A 16 -3.698 9.206 1.625 1.00 10.00 O ATOM 0 H SER A 16 -1.652 8.523 -1.544 1.00 10.00 H new ATOM 0 HA SER A 16 -1.590 7.697 1.143 1.00 10.00 H new ATOM 0 HB2 SER A 16 -2.377 9.919 0.220 1.00 10.00 H new ATOM 0 HB3 SER A 16 -3.796 9.120 -0.427 1.00 10.00 H new ATOM 0 HG SER A 16 -4.188 10.054 1.658 1.00 10.00 H new ATOM 248 N PHE A 17 -3.935 6.197 -0.655 1.00 10.00 N ATOM 249 CA PHE A 17 -4.812 5.027 -0.723 1.00 10.00 C ATOM 250 C PHE A 17 -4.041 3.717 -0.503 1.00 10.00 C ATOM 251 O PHE A 17 -4.507 2.850 0.240 1.00 10.00 O ATOM 252 CB PHE A 17 -5.542 5.036 -2.076 1.00 10.00 C ATOM 253 CG PHE A 17 -6.286 3.756 -2.405 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.424 3.392 -1.662 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.825 2.914 -3.438 1.00 10.00 C ATOM 256 CE1 PHE A 17 -8.099 2.193 -1.950 1.00 10.00 C ATOM 257 CE2 PHE A 17 -6.502 1.716 -3.728 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.640 1.357 -2.983 1.00 10.00 C ATOM 0 H PHE A 17 -3.903 6.721 -1.530 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.543 5.083 0.083 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.251 5.864 -2.085 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.815 5.230 -2.864 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -7.779 4.034 -0.870 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -4.950 3.190 -4.008 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -8.971 1.914 -1.377 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -6.149 1.073 -4.521 1.00 10.00 H new ATOM 0 HZ PHE A 17 -8.162 0.438 -3.205 1.00 10.00 H new ATOM 268 N LEU A 18 -2.845 3.579 -1.088 1.00 10.00 N ATOM 269 CA LEU A 18 -1.962 2.434 -0.849 1.00 10.00 C ATOM 270 C LEU A 18 -1.470 2.390 0.605 1.00 10.00 C ATOM 271 O LEU A 18 -1.575 1.348 1.253 1.00 10.00 O ATOM 272 CB LEU A 18 -0.781 2.490 -1.834 1.00 10.00 C ATOM 273 CG LEU A 18 -1.176 2.227 -3.298 1.00 10.00 C ATOM 274 CD1 LEU A 18 -0.006 2.578 -4.222 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.569 0.765 -3.517 1.00 10.00 C ATOM 0 H LEU A 18 -2.462 4.261 -1.742 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.526 1.517 -1.016 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.310 3.471 -1.766 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -0.034 1.756 -1.532 1.00 10.00 H new ATOM 0 HG LEU A 18 -2.037 2.854 -3.529 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -0.291 2.390 -5.257 1.00 10.00 H new ATOM 0 HD12 LEU A 18 0.250 3.631 -4.101 1.00 10.00 H new ATOM 0 HD13 LEU A 18 0.857 1.963 -3.966 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -1.842 0.614 -4.561 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -0.727 0.120 -3.265 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.418 0.517 -2.880 1.00 10.00 H new ATOM 287 N HIS A 19 -0.997 3.519 1.146 1.00 10.00 N ATOM 288 CA HIS A 19 -0.569 3.627 2.542 1.00 10.00 C ATOM 289 C HIS A 19 -1.716 3.283 3.509 1.00 10.00 C ATOM 290 O HIS A 19 -1.534 2.454 4.402 1.00 10.00 O ATOM 291 CB HIS A 19 -0.002 5.038 2.775 1.00 10.00 C ATOM 292 CG HIS A 19 0.601 5.304 4.136 1.00 10.00 C ATOM 293 ND1 HIS A 19 1.032 6.531 4.589 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.861 4.404 5.138 1.00 10.00 C ATOM 295 CE1 HIS A 19 1.533 6.369 5.826 1.00 10.00 C ATOM 296 NE2 HIS A 19 1.446 5.087 6.206 1.00 10.00 N ATOM 0 H HIS A 19 -0.901 4.389 0.622 1.00 10.00 H new ATOM 0 HA HIS A 19 0.216 2.899 2.746 1.00 10.00 H new ATOM 0 HB2 HIS A 19 0.761 5.229 2.020 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.802 5.759 2.609 1.00 10.00 H new ATOM 0 HD2 HIS A 19 0.649 3.346 5.106 1.00 10.00 H new ATOM 0 HE1 HIS A 19 1.948 7.162 6.430 1.00 10.00 H new ATOM 0 HE2 HIS A 19 1.747 4.690 7.096 1.00 10.00 H new ATOM 304 N ASN A 20 -2.915 3.838 3.282 1.00 10.00 N ATOM 305 CA ASN A 20 -4.121 3.503 4.034 1.00 10.00 C ATOM 306 C ASN A 20 -4.482 2.016 3.890 1.00 10.00 C ATOM 307 O ASN A 20 -4.781 1.372 4.890 1.00 10.00 O ATOM 308 CB ASN A 20 -5.271 4.417 3.572 1.00 10.00 C ATOM 309 CG ASN A 20 -6.615 3.992 4.148 1.00 10.00 C ATOM 310 OD1 ASN A 20 -7.508 3.586 3.421 1.00 10.00 O ATOM 311 ND2 ASN A 20 -6.760 4.022 5.456 1.00 10.00 N ATOM 0 H ASN A 20 -3.071 4.541 2.560 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.939 3.672 5.095 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -5.059 5.443 3.871 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -5.325 4.407 2.483 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -7.631 3.702 5.880 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -6.002 4.365 6.045 1.00 10.00 H new ATOM 318 N THR A 21 -4.374 1.444 2.685 1.00 10.00 N ATOM 319 CA THR A 21 -4.699 0.031 2.441 1.00 10.00 C ATOM 320 C THR A 21 -3.800 -0.884 3.277 1.00 10.00 C ATOM 321 O THR A 21 -4.307 -1.801 3.923 1.00 10.00 O ATOM 322 CB THR A 21 -4.580 -0.309 0.943 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.484 0.476 0.200 1.00 10.00 O ATOM 324 CG2 THR A 21 -4.911 -1.770 0.629 1.00 10.00 C ATOM 0 H THR A 21 -4.060 1.944 1.853 1.00 10.00 H new ATOM 0 HA THR A 21 -5.732 -0.136 2.745 1.00 10.00 H new ATOM 0 HB THR A 21 -3.541 -0.113 0.677 1.00 10.00 H new ATOM 0 HG1 THR A 21 -5.025 1.274 -0.136 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.808 -1.944 -0.442 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.226 -2.423 1.170 1.00 10.00 H new ATOM 0 HG23 THR A 21 -5.935 -1.985 0.935 1.00 10.00 H new ATOM 332 N ILE A 22 -2.489 -0.608 3.332 1.00 10.00 N ATOM 333 CA ILE A 22 -1.559 -1.380 4.167 1.00 10.00 C ATOM 334 C ILE A 22 -1.784 -1.104 5.660 1.00 10.00 C ATOM 335 O ILE A 22 -1.839 -2.060 6.432 1.00 10.00 O ATOM 336 CB ILE A 22 -0.091 -1.117 3.776 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.163 -1.422 2.290 1.00 10.00 C ATOM 338 CG2 ILE A 22 0.873 -1.946 4.654 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.557 -0.969 1.859 1.00 10.00 C ATOM 0 H ILE A 22 -2.048 0.147 2.806 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.767 -2.435 3.986 1.00 10.00 H new ATOM 0 HB ILE A 22 0.100 -0.057 3.945 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.055 -2.492 2.113 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.589 -0.921 1.680 1.00 10.00 H new ATOM 0 HG21 ILE A 22 1.902 -1.742 4.357 1.00 10.00 H new ATOM 0 HG22 ILE A 22 0.736 -1.674 5.701 1.00 10.00 H new ATOM 0 HG23 ILE A 22 0.662 -3.007 4.524 1.00 10.00 H new ATOM 0 HD11 ILE A 22 1.704 -1.199 0.804 1.00 10.00 H new ATOM 0 HD12 ILE A 22 1.654 0.106 2.013 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.308 -1.490 2.452 1.00 10.00 H new ATOM 351 N SER A 23 -1.966 0.163 6.071 1.00 10.00 N ATOM 352 CA SER A 23 -2.274 0.511 7.471 1.00 10.00 C ATOM 353 C SER A 23 -3.469 -0.287 7.980 1.00 10.00 C ATOM 354 O SER A 23 -3.406 -0.969 9.004 1.00 10.00 O ATOM 355 CB SER A 23 -2.641 2.018 7.528 1.00 10.00 C ATOM 356 OG SER A 23 -3.673 2.363 8.454 1.00 10.00 O ATOM 0 H SER A 23 -1.905 0.969 5.449 1.00 10.00 H new ATOM 0 HA SER A 23 -1.406 0.285 8.090 1.00 10.00 H new ATOM 0 HB2 SER A 23 -1.744 2.583 7.782 1.00 10.00 H new ATOM 0 HB3 SER A 23 -2.948 2.338 6.532 1.00 10.00 H new ATOM 0 HG SER A 23 -4.472 2.645 7.963 1.00 10.00 H new ATOM 362 N ASP A 24 -4.547 -0.232 7.207 1.00 10.00 N ATOM 363 CA ASP A 24 -5.820 -0.809 7.566 1.00 10.00 C ATOM 364 C ASP A 24 -5.771 -2.337 7.511 1.00 10.00 C ATOM 365 O ASP A 24 -6.321 -2.992 8.394 1.00 10.00 O ATOM 366 CB ASP A 24 -6.932 -0.093 6.791 1.00 10.00 C ATOM 367 CG ASP A 24 -6.984 1.429 7.093 1.00 10.00 C ATOM 368 OD1 ASP A 24 -6.001 2.018 7.627 1.00 10.00 O ATOM 369 OD2 ASP A 24 -8.031 2.027 6.753 1.00 10.00 O ATOM 0 H ASP A 24 -4.552 0.226 6.296 1.00 10.00 H new ATOM 0 HA ASP A 24 -6.070 -0.634 8.612 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.780 -0.243 5.722 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.893 -0.543 7.042 1.00 10.00 H new ATOM 374 N PHE A 25 -5.051 -2.913 6.532 1.00 10.00 N ATOM 375 CA PHE A 25 -4.758 -4.346 6.525 1.00 10.00 C ATOM 376 C PHE A 25 -3.995 -4.751 7.793 1.00 10.00 C ATOM 377 O PHE A 25 -4.409 -5.694 8.464 1.00 10.00 O ATOM 378 CB PHE A 25 -3.949 -4.711 5.264 1.00 10.00 C ATOM 379 CG PHE A 25 -3.543 -6.174 5.195 1.00 10.00 C ATOM 380 CD1 PHE A 25 -2.427 -6.633 5.923 1.00 10.00 C ATOM 381 CD2 PHE A 25 -4.297 -7.088 4.434 1.00 10.00 C ATOM 382 CE1 PHE A 25 -2.116 -8.002 5.955 1.00 10.00 C ATOM 383 CE2 PHE A 25 -3.994 -8.460 4.478 1.00 10.00 C ATOM 384 CZ PHE A 25 -2.924 -8.919 5.264 1.00 10.00 C ATOM 0 H PHE A 25 -4.664 -2.403 5.738 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.700 -4.895 6.510 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.540 -4.466 4.382 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -3.052 -4.093 5.228 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.808 -5.929 6.459 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -5.109 -6.735 3.816 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -1.257 -8.349 6.510 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -4.584 -9.162 3.907 1.00 10.00 H new ATOM 0 HZ PHE A 25 -2.723 -9.978 5.337 1.00 10.00 H new ATOM 394 N ILE A 26 -2.963 -3.998 8.199 1.00 10.00 N ATOM 395 CA ILE A 26 -2.160 -4.299 9.380 1.00 10.00 C ATOM 396 C ILE A 26 -3.028 -4.221 10.640 1.00 10.00 C ATOM 397 O ILE A 26 -3.072 -5.196 11.389 1.00 10.00 O ATOM 398 CB ILE A 26 -0.921 -3.373 9.387 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.103 -3.906 8.355 1.00 10.00 C ATOM 400 CG2 ILE A 26 -0.310 -3.264 10.787 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.258 -2.944 8.054 1.00 10.00 C ATOM 0 H ILE A 26 -2.664 -3.156 7.708 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.783 -5.321 9.359 1.00 10.00 H new ATOM 0 HB ILE A 26 -1.221 -2.364 9.105 1.00 10.00 H new ATOM 0 HG12 ILE A 26 0.515 -4.846 8.723 1.00 10.00 H new ATOM 0 HG13 ILE A 26 -0.420 -4.129 7.425 1.00 10.00 H new ATOM 0 HG21 ILE A 26 0.558 -2.606 10.755 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -1.049 -2.856 11.476 1.00 10.00 H new ATOM 0 HG23 ILE A 26 -0.003 -4.253 11.128 1.00 10.00 H new ATOM 0 HD11 ILE A 26 1.927 -3.397 7.322 1.00 10.00 H new ATOM 0 HD12 ILE A 26 0.860 -2.011 7.654 1.00 10.00 H new ATOM 0 HD13 ILE A 26 1.809 -2.739 8.972 1.00 10.00 H new ATOM 413 N LEU A 27 -3.808 -3.145 10.814 1.00 10.00 N ATOM 414 CA LEU A 27 -4.777 -2.992 11.911 1.00 10.00 C ATOM 415 C LEU A 27 -5.909 -4.042 11.905 1.00 10.00 C ATOM 416 O LEU A 27 -6.628 -4.161 12.896 1.00 10.00 O ATOM 417 CB LEU A 27 -5.351 -1.556 11.897 1.00 10.00 C ATOM 418 CG LEU A 27 -4.609 -0.513 12.760 1.00 10.00 C ATOM 419 CD1 LEU A 27 -4.712 -0.830 14.257 1.00 10.00 C ATOM 420 CD2 LEU A 27 -3.132 -0.342 12.399 1.00 10.00 C ATOM 0 H LEU A 27 -3.784 -2.342 10.186 1.00 10.00 H new ATOM 0 HA LEU A 27 -4.232 -3.169 12.838 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -5.361 -1.202 10.866 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -6.388 -1.599 12.229 1.00 10.00 H new ATOM 0 HG LEU A 27 -5.118 0.426 12.539 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -4.176 -0.071 14.827 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -5.760 -0.836 14.556 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -4.273 -1.808 14.453 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -2.683 0.408 13.050 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -2.614 -1.292 12.528 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -3.046 -0.019 11.361 1.00 10.00 H new ATOM 432 N LYS A 28 -6.051 -4.826 10.826 1.00 10.00 N ATOM 433 CA LYS A 28 -6.991 -5.950 10.698 1.00 10.00 C ATOM 434 C LYS A 28 -6.287 -7.320 10.648 1.00 10.00 C ATOM 435 O LYS A 28 -6.968 -8.335 10.508 1.00 10.00 O ATOM 436 CB LYS A 28 -7.896 -5.697 9.479 1.00 10.00 C ATOM 437 CG LYS A 28 -8.964 -4.624 9.780 1.00 10.00 C ATOM 438 CD LYS A 28 -9.514 -3.905 8.539 1.00 10.00 C ATOM 439 CE LYS A 28 -9.900 -4.848 7.395 1.00 10.00 C ATOM 440 NZ LYS A 28 -10.237 -4.080 6.174 1.00 10.00 N ATOM 0 H LYS A 28 -5.491 -4.689 9.984 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.609 -5.998 11.595 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -7.287 -5.379 8.633 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -8.385 -6.627 9.188 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -9.793 -5.094 10.309 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -8.535 -3.882 10.454 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -10.389 -3.322 8.827 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -8.765 -3.200 8.178 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -9.076 -5.530 7.186 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -10.752 -5.459 7.693 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -10.496 -4.737 5.411 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -11.038 -3.447 6.372 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -9.414 -3.516 5.881 1.00 10.00 H new ATOM 454 N ARG A 29 -4.955 -7.366 10.820 1.00 10.00 N ATOM 455 CA ARG A 29 -4.141 -8.598 10.847 1.00 10.00 C ATOM 456 C ARG A 29 -3.298 -8.730 12.134 1.00 10.00 C ATOM 457 O ARG A 29 -2.999 -9.852 12.537 1.00 10.00 O ATOM 458 CB ARG A 29 -3.280 -8.645 9.560 1.00 10.00 C ATOM 459 CG ARG A 29 -3.067 -10.027 8.919 1.00 10.00 C ATOM 460 CD ARG A 29 -2.472 -11.057 9.874 1.00 10.00 C ATOM 461 NE ARG A 29 -1.873 -12.202 9.172 1.00 10.00 N ATOM 462 CZ ARG A 29 -1.332 -13.248 9.778 1.00 10.00 C ATOM 463 NH1 ARG A 29 -1.431 -13.445 11.069 1.00 10.00 N ATOM 464 NH2 ARG A 29 -0.614 -14.130 9.139 1.00 10.00 N ATOM 0 H ARG A 29 -4.396 -6.522 10.948 1.00 10.00 H new ATOM 0 HA ARG A 29 -4.804 -9.463 10.866 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -3.742 -7.994 8.818 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -2.302 -8.223 9.790 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -4.023 -10.397 8.548 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -2.409 -9.921 8.056 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -1.713 -10.578 10.492 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -3.251 -11.416 10.547 1.00 10.00 H new ATOM 0 HE ARG A 29 -1.874 -12.190 8.152 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -1.941 -12.778 11.649 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -0.998 -14.265 11.494 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -0.453 -14.027 8.137 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -0.214 -14.922 9.641 1.00 10.00 H new ATOM 478 N VAL A 30 -2.952 -7.619 12.802 1.00 10.00 N ATOM 479 CA VAL A 30 -2.150 -7.558 14.041 1.00 10.00 C ATOM 480 C VAL A 30 -2.679 -6.417 14.931 1.00 10.00 C ATOM 481 O VAL A 30 -3.234 -5.441 14.425 1.00 10.00 O ATOM 482 CB VAL A 30 -0.655 -7.327 13.709 1.00 10.00 C ATOM 483 CG1 VAL A 30 0.239 -7.430 14.952 1.00 10.00 C ATOM 484 CG2 VAL A 30 -0.098 -8.339 12.699 1.00 10.00 C ATOM 0 H VAL A 30 -3.235 -6.693 12.481 1.00 10.00 H new ATOM 0 HA VAL A 30 -2.238 -8.506 14.572 1.00 10.00 H new ATOM 0 HB VAL A 30 -0.632 -6.322 13.289 1.00 10.00 H new ATOM 0 HG11 VAL A 30 1.278 -7.261 14.668 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -0.065 -6.680 15.682 1.00 10.00 H new ATOM 0 HG13 VAL A 30 0.140 -8.423 15.390 1.00 10.00 H new ATOM 0 HG21 VAL A 30 0.953 -8.123 12.509 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -0.194 -9.347 13.103 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -0.657 -8.268 11.766 1.00 10.00 H new ATOM 494 N SER A 31 -2.519 -6.513 16.257 1.00 10.00 N ATOM 495 CA SER A 31 -3.004 -5.509 17.205 1.00 10.00 C ATOM 496 C SER A 31 -1.969 -4.421 17.492 1.00 10.00 C ATOM 497 O SER A 31 -0.805 -4.698 17.785 1.00 10.00 O ATOM 498 CB SER A 31 -3.435 -6.156 18.523 1.00 10.00 C ATOM 499 OG SER A 31 -4.011 -5.171 19.364 1.00 10.00 O ATOM 0 H SER A 31 -2.045 -7.298 16.703 1.00 10.00 H new ATOM 0 HA SER A 31 -3.865 -5.039 16.730 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.154 -6.953 18.332 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.576 -6.613 19.015 1.00 10.00 H new ATOM 0 HG SER A 31 -4.289 -5.584 20.208 1.00 10.00 H new ATOM 505 N ALA A 32 -2.431 -3.167 17.524 1.00 10.00 N ATOM 506 CA ALA A 32 -1.677 -2.012 18.012 1.00 10.00 C ATOM 507 C ALA A 32 -1.059 -2.261 19.408 1.00 10.00 C ATOM 508 O ALA A 32 -0.061 -1.635 19.746 1.00 10.00 O ATOM 509 CB ALA A 32 -2.598 -0.787 18.004 1.00 10.00 C ATOM 0 H ALA A 32 -3.367 -2.922 17.201 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.832 -1.834 17.347 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -2.050 0.083 18.366 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -2.946 -0.600 16.988 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -3.454 -0.971 18.653 1.00 10.00 H new ATOM 515 N LYS A 33 -1.631 -3.180 20.209 1.00 10.00 N ATOM 516 CA LYS A 33 -1.028 -3.709 21.444 1.00 10.00 C ATOM 517 C LYS A 33 0.423 -4.192 21.272 1.00 10.00 C ATOM 518 O LYS A 33 1.188 -4.121 22.228 1.00 10.00 O ATOM 519 CB LYS A 33 -1.908 -4.866 21.951 1.00 10.00 C ATOM 520 CG LYS A 33 -1.513 -5.426 23.335 1.00 10.00 C ATOM 521 CD LYS A 33 -1.093 -6.906 23.330 1.00 10.00 C ATOM 522 CE LYS A 33 0.399 -7.099 23.026 1.00 10.00 C ATOM 523 NZ LYS A 33 0.662 -8.447 22.480 1.00 10.00 N ATOM 0 H LYS A 33 -2.546 -3.584 20.009 1.00 10.00 H new ATOM 0 HA LYS A 33 -0.984 -2.891 22.163 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -2.942 -4.524 21.995 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -1.871 -5.677 21.223 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -0.692 -4.830 23.733 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -2.355 -5.303 24.016 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -1.322 -7.347 24.300 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -1.683 -7.444 22.588 1.00 10.00 H new ATOM 0 HE2 LYS A 33 0.728 -6.344 22.312 1.00 10.00 H new ATOM 0 HE3 LYS A 33 0.980 -6.952 23.936 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 1.682 -8.562 22.316 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 0.338 -9.166 23.158 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 0.151 -8.563 21.582 1.00 10.00 H new ATOM 537 N GLU A 34 0.798 -4.709 20.095 1.00 10.00 N ATOM 538 CA GLU A 34 2.144 -5.234 19.821 1.00 10.00 C ATOM 539 C GLU A 34 2.873 -4.545 18.661 1.00 10.00 C ATOM 540 O GLU A 34 4.093 -4.676 18.574 1.00 10.00 O ATOM 541 CB GLU A 34 2.121 -6.756 19.614 1.00 10.00 C ATOM 542 CG GLU A 34 1.217 -7.283 18.481 1.00 10.00 C ATOM 543 CD GLU A 34 -0.170 -7.807 18.886 1.00 10.00 C ATOM 544 OE1 GLU A 34 -0.422 -7.988 20.103 1.00 10.00 O ATOM 545 OE2 GLU A 34 -0.973 -8.064 17.959 1.00 10.00 O ATOM 0 H GLU A 34 0.168 -4.776 19.296 1.00 10.00 H new ATOM 0 HA GLU A 34 2.721 -5.000 20.715 1.00 10.00 H new ATOM 0 HB2 GLU A 34 3.140 -7.089 19.420 1.00 10.00 H new ATOM 0 HB3 GLU A 34 1.805 -7.222 20.547 1.00 10.00 H new ATOM 0 HG2 GLU A 34 1.078 -6.481 17.756 1.00 10.00 H new ATOM 0 HG3 GLU A 34 1.747 -8.086 17.970 1.00 10.00 H new ATOM 552 N ILE A 35 2.170 -3.791 17.806 1.00 10.00 N ATOM 553 CA ILE A 35 2.797 -2.914 16.809 1.00 10.00 C ATOM 554 C ILE A 35 3.432 -1.731 17.552 1.00 10.00 C ATOM 555 O ILE A 35 2.726 -0.836 18.011 1.00 10.00 O ATOM 556 CB ILE A 35 1.760 -2.424 15.768 1.00 10.00 C ATOM 557 CG1 ILE A 35 1.035 -3.569 15.026 1.00 10.00 C ATOM 558 CG2 ILE A 35 2.388 -1.463 14.741 1.00 10.00 C ATOM 559 CD1 ILE A 35 1.949 -4.438 14.162 1.00 10.00 C ATOM 0 H ILE A 35 1.150 -3.772 17.786 1.00 10.00 H new ATOM 0 HA ILE A 35 3.562 -3.463 16.259 1.00 10.00 H new ATOM 0 HB ILE A 35 1.011 -1.890 16.353 1.00 10.00 H new ATOM 0 HG12 ILE A 35 0.537 -4.203 15.759 1.00 10.00 H new ATOM 0 HG13 ILE A 35 0.257 -3.141 14.394 1.00 10.00 H new ATOM 0 HG21 ILE A 35 1.627 -1.143 14.029 1.00 10.00 H new ATOM 0 HG22 ILE A 35 2.791 -0.592 15.257 1.00 10.00 H new ATOM 0 HG23 ILE A 35 3.191 -1.973 14.209 1.00 10.00 H new ATOM 0 HD11 ILE A 35 1.360 -5.216 13.677 1.00 10.00 H new ATOM 0 HD12 ILE A 35 2.428 -3.820 13.403 1.00 10.00 H new ATOM 0 HD13 ILE A 35 2.712 -4.898 14.789 1.00 10.00 H new ATOM 571 N VAL A 36 4.765 -1.723 17.666 1.00 10.00 N ATOM 572 CA VAL A 36 5.516 -0.567 18.175 1.00 10.00 C ATOM 573 C VAL A 36 5.433 0.568 17.162 1.00 10.00 C ATOM 574 O VAL A 36 5.091 1.688 17.536 1.00 10.00 O ATOM 575 CB VAL A 36 6.983 -0.951 18.464 1.00 10.00 C ATOM 576 CG1 VAL A 36 7.913 0.260 18.614 1.00 10.00 C ATOM 577 CG2 VAL A 36 7.049 -1.773 19.753 1.00 10.00 C ATOM 0 H VAL A 36 5.354 -2.515 17.409 1.00 10.00 H new ATOM 0 HA VAL A 36 5.077 -0.235 19.116 1.00 10.00 H new ATOM 0 HB VAL A 36 7.327 -1.524 17.603 1.00 10.00 H new ATOM 0 HG11 VAL A 36 8.928 -0.083 18.816 1.00 10.00 H new ATOM 0 HG12 VAL A 36 7.903 0.842 17.693 1.00 10.00 H new ATOM 0 HG13 VAL A 36 7.570 0.882 19.440 1.00 10.00 H new ATOM 0 HG21 VAL A 36 8.084 -2.045 19.958 1.00 10.00 H new ATOM 0 HG22 VAL A 36 6.658 -1.183 20.581 1.00 10.00 H new ATOM 0 HG23 VAL A 36 6.452 -2.678 19.638 1.00 10.00 H new ATOM 587 N ASP A 37 5.707 0.270 15.886 1.00 10.00 N ATOM 588 CA ASP A 37 5.501 1.215 14.787 1.00 10.00 C ATOM 589 C ASP A 37 5.459 0.513 13.416 1.00 10.00 C ATOM 590 O ASP A 37 5.684 -0.699 13.305 1.00 10.00 O ATOM 591 CB ASP A 37 6.591 2.316 14.813 1.00 10.00 C ATOM 592 CG ASP A 37 6.047 3.694 14.407 1.00 10.00 C ATOM 593 OD1 ASP A 37 5.053 3.722 13.644 1.00 10.00 O ATOM 594 OD2 ASP A 37 6.625 4.701 14.872 1.00 10.00 O ATOM 0 H ASP A 37 6.077 -0.633 15.589 1.00 10.00 H new ATOM 0 HA ASP A 37 4.526 1.681 14.933 1.00 10.00 H new ATOM 0 HB2 ASP A 37 7.016 2.378 15.815 1.00 10.00 H new ATOM 0 HB3 ASP A 37 7.401 2.036 14.140 1.00 10.00 H new ATOM 599 N ILE A 38 5.213 1.301 12.365 1.00 10.00 N ATOM 600 CA ILE A 38 5.325 0.899 10.963 1.00 10.00 C ATOM 601 C ILE A 38 6.056 1.965 10.136 1.00 10.00 C ATOM 602 O ILE A 38 5.888 3.160 10.354 1.00 10.00 O ATOM 603 CB ILE A 38 3.949 0.528 10.340 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.754 1.489 10.560 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.498 -0.847 10.857 1.00 10.00 C ATOM 606 CD1 ILE A 38 2.845 2.850 9.863 1.00 10.00 C ATOM 0 H ILE A 38 4.920 2.272 12.473 1.00 10.00 H new ATOM 0 HA ILE A 38 5.927 -0.009 10.939 1.00 10.00 H new ATOM 0 HB ILE A 38 4.168 0.572 9.273 1.00 10.00 H new ATOM 0 HG12 ILE A 38 1.846 0.990 10.221 1.00 10.00 H new ATOM 0 HG13 ILE A 38 2.643 1.659 11.631 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.534 -1.102 10.418 1.00 10.00 H new ATOM 0 HG22 ILE A 38 4.235 -1.600 10.578 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.405 -0.815 11.943 1.00 10.00 H new ATOM 0 HD11 ILE A 38 1.954 3.435 10.090 1.00 10.00 H new ATOM 0 HD12 ILE A 38 3.728 3.382 10.217 1.00 10.00 H new ATOM 0 HD13 ILE A 38 2.918 2.703 8.785 1.00 10.00 H new ATOM 618 N ASP A 39 6.869 1.525 9.172 1.00 10.00 N ATOM 619 CA ASP A 39 7.396 2.403 8.117 1.00 10.00 C ATOM 620 C ASP A 39 6.734 1.922 6.829 1.00 10.00 C ATOM 621 O ASP A 39 6.705 0.722 6.562 1.00 10.00 O ATOM 622 CB ASP A 39 8.927 2.351 7.953 1.00 10.00 C ATOM 623 CG ASP A 39 9.725 3.155 8.975 1.00 10.00 C ATOM 624 OD1 ASP A 39 9.407 4.351 9.152 1.00 10.00 O ATOM 625 OD2 ASP A 39 10.693 2.571 9.520 1.00 10.00 O ATOM 0 H ASP A 39 7.181 0.557 9.098 1.00 10.00 H new ATOM 0 HA ASP A 39 7.175 3.439 8.372 1.00 10.00 H new ATOM 0 HB2 ASP A 39 9.245 1.310 8.007 1.00 10.00 H new ATOM 0 HB3 ASP A 39 9.180 2.711 6.956 1.00 10.00 H new ATOM 630 N ILE A 40 6.145 2.838 6.057 1.00 10.00 N ATOM 631 CA ILE A 40 5.573 2.536 4.745 1.00 10.00 C ATOM 632 C ILE A 40 6.089 3.579 3.759 1.00 10.00 C ATOM 633 O ILE A 40 5.901 4.777 3.973 1.00 10.00 O ATOM 634 CB ILE A 40 4.027 2.458 4.810 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.585 1.208 5.607 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.424 2.377 3.393 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.143 1.224 6.107 1.00 10.00 C ATOM 0 H ILE A 40 6.051 3.817 6.328 1.00 10.00 H new ATOM 0 HA ILE A 40 5.888 1.551 4.402 1.00 10.00 H new ATOM 0 HB ILE A 40 3.669 3.360 5.306 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.723 0.329 4.977 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.247 1.092 6.465 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.338 2.323 3.462 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.708 3.263 2.826 1.00 10.00 H new ATOM 0 HG23 ILE A 40 3.800 1.487 2.888 1.00 10.00 H new ATOM 0 HD11 ILE A 40 1.937 0.303 6.652 1.00 10.00 H new ATOM 0 HD12 ILE A 40 1.997 2.078 6.769 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.464 1.303 5.258 1.00 10.00 H new ATOM 649 N THR A 41 6.712 3.126 2.667 1.00 10.00 N ATOM 650 CA THR A 41 7.069 3.988 1.537 1.00 10.00 C ATOM 651 C THR A 41 6.378 3.496 0.271 1.00 10.00 C ATOM 652 O THR A 41 6.527 2.343 -0.138 1.00 10.00 O ATOM 653 CB THR A 41 8.587 4.175 1.394 1.00 10.00 C ATOM 654 OG1 THR A 41 8.823 5.290 0.563 1.00 10.00 O ATOM 655 CG2 THR A 41 9.358 2.991 0.819 1.00 10.00 C ATOM 0 H THR A 41 6.983 2.151 2.542 1.00 10.00 H new ATOM 0 HA THR A 41 6.698 4.994 1.732 1.00 10.00 H new ATOM 0 HB THR A 41 8.955 4.300 2.412 1.00 10.00 H new ATOM 0 HG1 THR A 41 9.789 5.425 0.463 1.00 10.00 H new ATOM 0 HG21 THR A 41 10.418 3.239 0.765 1.00 10.00 H new ATOM 0 HG22 THR A 41 9.221 2.121 1.461 1.00 10.00 H new ATOM 0 HG23 THR A 41 8.987 2.766 -0.181 1.00 10.00 H new ATOM 663 N VAL A 42 5.542 4.370 -0.292 1.00 10.00 N ATOM 664 CA VAL A 42 4.806 4.160 -1.531 1.00 10.00 C ATOM 665 C VAL A 42 5.292 5.177 -2.565 1.00 10.00 C ATOM 666 O VAL A 42 5.105 6.387 -2.411 1.00 10.00 O ATOM 667 CB VAL A 42 3.297 4.305 -1.236 1.00 10.00 C ATOM 668 CG1 VAL A 42 2.736 3.005 -0.650 1.00 10.00 C ATOM 669 CG2 VAL A 42 2.962 5.440 -0.246 1.00 10.00 C ATOM 0 H VAL A 42 5.354 5.282 0.125 1.00 10.00 H new ATOM 0 HA VAL A 42 4.976 3.162 -1.935 1.00 10.00 H new ATOM 0 HB VAL A 42 2.842 4.543 -2.198 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.672 3.126 -0.449 1.00 10.00 H new ATOM 0 HG12 VAL A 42 2.880 2.193 -1.362 1.00 10.00 H new ATOM 0 HG13 VAL A 42 3.256 2.770 0.278 1.00 10.00 H new ATOM 0 HG21 VAL A 42 1.884 5.480 -0.089 1.00 10.00 H new ATOM 0 HG22 VAL A 42 3.461 5.252 0.705 1.00 10.00 H new ATOM 0 HG23 VAL A 42 3.304 6.391 -0.654 1.00 10.00 H new ATOM 679 N LEU A 43 5.870 4.665 -3.650 1.00 10.00 N ATOM 680 CA LEU A 43 6.544 5.435 -4.691 1.00 10.00 C ATOM 681 C LEU A 43 5.824 5.238 -6.020 1.00 10.00 C ATOM 682 O LEU A 43 5.431 4.120 -6.348 1.00 10.00 O ATOM 683 CB LEU A 43 8.019 5.004 -4.782 1.00 10.00 C ATOM 684 CG LEU A 43 8.819 5.190 -3.478 1.00 10.00 C ATOM 685 CD1 LEU A 43 10.216 4.584 -3.634 1.00 10.00 C ATOM 686 CD2 LEU A 43 8.965 6.663 -3.081 1.00 10.00 C ATOM 0 H LEU A 43 5.881 3.662 -3.834 1.00 10.00 H new ATOM 0 HA LEU A 43 6.517 6.496 -4.444 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.061 3.954 -5.073 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.503 5.574 -5.575 1.00 10.00 H new ATOM 0 HG LEU A 43 8.261 4.682 -2.691 1.00 10.00 H new ATOM 0 HD11 LEU A 43 10.776 4.719 -2.709 1.00 10.00 H new ATOM 0 HD12 LEU A 43 10.129 3.520 -3.854 1.00 10.00 H new ATOM 0 HD13 LEU A 43 10.739 5.081 -4.451 1.00 10.00 H new ATOM 0 HD21 LEU A 43 9.537 6.736 -2.156 1.00 10.00 H new ATOM 0 HD22 LEU A 43 9.485 7.203 -3.872 1.00 10.00 H new ATOM 0 HD23 LEU A 43 7.977 7.099 -2.932 1.00 10.00 H new ATOM 698 N VAL A 44 5.677 6.318 -6.787 1.00 10.00 N ATOM 699 CA VAL A 44 5.032 6.304 -8.104 1.00 10.00 C ATOM 700 C VAL A 44 5.798 7.201 -9.084 1.00 10.00 C ATOM 701 O VAL A 44 6.239 8.292 -8.728 1.00 10.00 O ATOM 702 CB VAL A 44 3.530 6.647 -7.972 1.00 10.00 C ATOM 703 CG1 VAL A 44 3.242 8.034 -7.375 1.00 10.00 C ATOM 704 CG2 VAL A 44 2.805 6.503 -9.316 1.00 10.00 C ATOM 0 H VAL A 44 6.007 7.242 -6.509 1.00 10.00 H new ATOM 0 HA VAL A 44 5.071 5.300 -8.527 1.00 10.00 H new ATOM 0 HB VAL A 44 3.143 5.918 -7.260 1.00 10.00 H new ATOM 0 HG11 VAL A 44 2.165 8.190 -7.319 1.00 10.00 H new ATOM 0 HG12 VAL A 44 3.670 8.095 -6.374 1.00 10.00 H new ATOM 0 HG13 VAL A 44 3.687 8.802 -8.007 1.00 10.00 H new ATOM 0 HG21 VAL A 44 1.751 6.751 -9.189 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.252 7.179 -10.045 1.00 10.00 H new ATOM 0 HG23 VAL A 44 2.896 5.476 -9.670 1.00 10.00 H new ATOM 714 N GLU A 45 5.975 6.715 -10.315 1.00 10.00 N ATOM 715 CA GLU A 45 6.786 7.319 -11.375 1.00 10.00 C ATOM 716 C GLU A 45 6.172 6.975 -12.746 1.00 10.00 C ATOM 717 O GLU A 45 5.434 5.995 -12.868 1.00 10.00 O ATOM 718 CB GLU A 45 8.213 6.742 -11.278 1.00 10.00 C ATOM 719 CG GLU A 45 9.274 7.560 -12.028 1.00 10.00 C ATOM 720 CD GLU A 45 10.490 6.694 -12.369 1.00 10.00 C ATOM 721 OE1 GLU A 45 10.411 5.994 -13.408 1.00 10.00 O ATOM 722 OE2 GLU A 45 11.480 6.745 -11.608 1.00 10.00 O ATOM 0 H GLU A 45 5.534 5.845 -10.615 1.00 10.00 H new ATOM 0 HA GLU A 45 6.815 8.403 -11.264 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.496 6.677 -10.227 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.209 5.725 -11.671 1.00 10.00 H new ATOM 0 HG2 GLU A 45 8.845 7.968 -12.943 1.00 10.00 H new ATOM 0 HG3 GLU A 45 9.585 8.407 -11.417 1.00 10.00 H new ATOM 729 N TYR A 46 6.491 7.735 -13.801 1.00 10.00 N ATOM 730 CA TYR A 46 6.052 7.399 -15.155 1.00 10.00 C ATOM 731 C TYR A 46 7.195 7.728 -16.126 1.00 10.00 C ATOM 732 O TYR A 46 7.478 8.892 -16.406 1.00 10.00 O ATOM 733 CB TYR A 46 4.736 8.134 -15.462 1.00 10.00 C ATOM 734 CG TYR A 46 3.895 7.551 -16.590 1.00 10.00 C ATOM 735 CD1 TYR A 46 4.442 7.205 -17.845 1.00 10.00 C ATOM 736 CD2 TYR A 46 2.528 7.312 -16.342 1.00 10.00 C ATOM 737 CE1 TYR A 46 3.633 6.598 -18.826 1.00 10.00 C ATOM 738 CE2 TYR A 46 1.711 6.722 -17.322 1.00 10.00 C ATOM 739 CZ TYR A 46 2.268 6.353 -18.566 1.00 10.00 C ATOM 740 OH TYR A 46 1.492 5.762 -19.515 1.00 10.00 O ATOM 0 H TYR A 46 7.051 8.585 -13.740 1.00 10.00 H new ATOM 0 HA TYR A 46 5.834 6.337 -15.263 1.00 10.00 H new ATOM 0 HB2 TYR A 46 4.131 8.150 -14.555 1.00 10.00 H new ATOM 0 HB3 TYR A 46 4.970 9.170 -15.707 1.00 10.00 H new ATOM 0 HD1 TYR A 46 5.482 7.406 -18.053 1.00 10.00 H new ATOM 0 HD2 TYR A 46 2.103 7.586 -15.387 1.00 10.00 H new ATOM 0 HE1 TYR A 46 4.059 6.320 -19.779 1.00 10.00 H new ATOM 0 HE2 TYR A 46 0.663 6.552 -17.125 1.00 10.00 H new ATOM 0 HH TYR A 46 0.578 5.665 -19.176 1.00 10.00 H new ATOM 750 N THR A 47 7.874 6.686 -16.607 1.00 10.00 N ATOM 751 CA THR A 47 9.085 6.744 -17.436 1.00 10.00 C ATOM 752 C THR A 47 8.897 5.824 -18.643 1.00 10.00 C ATOM 753 O THR A 47 9.303 4.665 -18.631 1.00 10.00 O ATOM 754 CB THR A 47 10.352 6.414 -16.616 1.00 10.00 C ATOM 755 OG1 THR A 47 10.139 5.347 -15.707 1.00 10.00 O ATOM 756 CG2 THR A 47 10.834 7.656 -15.863 1.00 10.00 C ATOM 0 H THR A 47 7.581 5.727 -16.421 1.00 10.00 H new ATOM 0 HA THR A 47 9.236 7.760 -17.800 1.00 10.00 H new ATOM 0 HB THR A 47 11.119 6.095 -17.321 1.00 10.00 H new ATOM 0 HG1 THR A 47 9.853 5.707 -14.841 1.00 10.00 H new ATOM 0 HG21 THR A 47 11.727 7.410 -15.289 1.00 10.00 H new ATOM 0 HG22 THR A 47 11.067 8.446 -16.576 1.00 10.00 H new ATOM 0 HG23 THR A 47 10.051 7.998 -15.186 1.00 10.00 H new ATOM 764 N ASP A 48 8.185 6.333 -19.661 1.00 10.00 N ATOM 765 CA ASP A 48 7.649 5.609 -20.836 1.00 10.00 C ATOM 766 C ASP A 48 6.555 4.576 -20.477 1.00 10.00 C ATOM 767 O ASP A 48 5.565 4.438 -21.190 1.00 10.00 O ATOM 768 CB ASP A 48 8.793 5.011 -21.677 1.00 10.00 C ATOM 769 CG ASP A 48 8.353 4.685 -23.106 1.00 10.00 C ATOM 770 OD1 ASP A 48 7.977 5.646 -23.814 1.00 10.00 O ATOM 771 OD2 ASP A 48 8.436 3.495 -23.481 1.00 10.00 O ATOM 0 H ASP A 48 7.950 7.325 -19.692 1.00 10.00 H new ATOM 0 HA ASP A 48 7.135 6.343 -21.457 1.00 10.00 H new ATOM 0 HB2 ASP A 48 9.625 5.714 -21.707 1.00 10.00 H new ATOM 0 HB3 ASP A 48 9.159 4.104 -21.196 1.00 10.00 H new ATOM 776 N GLU A 49 6.670 3.956 -19.301 1.00 10.00 N ATOM 777 CA GLU A 49 5.680 3.115 -18.632 1.00 10.00 C ATOM 778 C GLU A 49 5.393 3.697 -17.234 1.00 10.00 C ATOM 779 O GLU A 49 6.221 4.408 -16.660 1.00 10.00 O ATOM 780 CB GLU A 49 6.210 1.667 -18.555 1.00 10.00 C ATOM 781 CG GLU A 49 5.136 0.650 -18.124 1.00 10.00 C ATOM 782 CD GLU A 49 5.679 -0.774 -17.975 1.00 10.00 C ATOM 783 OE1 GLU A 49 6.680 -0.936 -17.232 1.00 10.00 O ATOM 784 OE2 GLU A 49 5.057 -1.688 -18.560 1.00 10.00 O ATOM 0 H GLU A 49 7.525 4.036 -18.750 1.00 10.00 H new ATOM 0 HA GLU A 49 4.745 3.098 -19.191 1.00 10.00 H new ATOM 0 HB2 GLU A 49 6.604 1.379 -19.530 1.00 10.00 H new ATOM 0 HB3 GLU A 49 7.041 1.628 -17.851 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.703 0.968 -17.175 1.00 10.00 H new ATOM 0 HG3 GLU A 49 4.330 0.650 -18.858 1.00 10.00 H new ATOM 791 N LEU A 50 4.252 3.332 -16.643 1.00 10.00 N ATOM 792 CA LEU A 50 3.879 3.720 -15.285 1.00 10.00 C ATOM 793 C LEU A 50 4.537 2.711 -14.338 1.00 10.00 C ATOM 794 O LEU A 50 4.392 1.498 -14.505 1.00 10.00 O ATOM 795 CB LEU A 50 2.344 3.621 -15.148 1.00 10.00 C ATOM 796 CG LEU A 50 1.803 3.713 -13.703 1.00 10.00 C ATOM 797 CD1 LEU A 50 1.971 5.105 -13.092 1.00 10.00 C ATOM 798 CD2 LEU A 50 0.320 3.349 -13.673 1.00 10.00 C ATOM 0 H LEU A 50 3.553 2.750 -17.104 1.00 10.00 H new ATOM 0 HA LEU A 50 4.197 4.737 -15.056 1.00 10.00 H new ATOM 0 HB2 LEU A 50 1.891 4.417 -15.740 1.00 10.00 H new ATOM 0 HB3 LEU A 50 2.017 2.676 -15.581 1.00 10.00 H new ATOM 0 HG LEU A 50 2.390 3.010 -13.111 1.00 10.00 H new ATOM 0 HD11 LEU A 50 1.573 5.107 -12.077 1.00 10.00 H new ATOM 0 HD12 LEU A 50 3.029 5.366 -13.067 1.00 10.00 H new ATOM 0 HD13 LEU A 50 1.431 5.835 -13.695 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -0.051 3.417 -12.650 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -0.237 4.039 -14.308 1.00 10.00 H new ATOM 0 HD23 LEU A 50 0.188 2.331 -14.040 1.00 10.00 H new ATOM 810 N LYS A 51 5.245 3.227 -13.329 1.00 10.00 N ATOM 811 CA LYS A 51 5.972 2.423 -12.352 1.00 10.00 C ATOM 812 C LYS A 51 5.538 2.816 -10.943 1.00 10.00 C ATOM 813 O LYS A 51 5.369 3.992 -10.627 1.00 10.00 O ATOM 814 CB LYS A 51 7.488 2.598 -12.564 1.00 10.00 C ATOM 815 CG LYS A 51 8.270 1.303 -12.284 1.00 10.00 C ATOM 816 CD LYS A 51 8.122 0.222 -13.373 1.00 10.00 C ATOM 817 CE LYS A 51 8.784 0.660 -14.688 1.00 10.00 C ATOM 818 NZ LYS A 51 8.756 -0.410 -15.712 1.00 10.00 N ATOM 0 H LYS A 51 5.328 4.231 -13.169 1.00 10.00 H new ATOM 0 HA LYS A 51 5.741 1.366 -12.485 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.675 2.918 -13.589 1.00 10.00 H new ATOM 0 HB3 LYS A 51 7.855 3.390 -11.911 1.00 10.00 H new ATOM 0 HG2 LYS A 51 9.326 1.548 -12.173 1.00 10.00 H new ATOM 0 HG3 LYS A 51 7.937 0.890 -11.332 1.00 10.00 H new ATOM 0 HD2 LYS A 51 8.573 -0.708 -13.028 1.00 10.00 H new ATOM 0 HD3 LYS A 51 7.065 0.019 -13.545 1.00 10.00 H new ATOM 0 HE2 LYS A 51 8.274 1.543 -15.073 1.00 10.00 H new ATOM 0 HE3 LYS A 51 9.817 0.948 -14.494 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 9.396 -0.160 -16.493 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 9.064 -1.307 -15.285 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 7.788 -0.515 -16.078 1.00 10.00 H new ATOM 832 N VAL A 52 5.335 1.805 -10.106 1.00 10.00 N ATOM 833 CA VAL A 52 4.936 1.946 -8.708 1.00 10.00 C ATOM 834 C VAL A 52 5.772 0.980 -7.871 1.00 10.00 C ATOM 835 O VAL A 52 6.044 -0.135 -8.318 1.00 10.00 O ATOM 836 CB VAL A 52 3.410 1.743 -8.572 1.00 10.00 C ATOM 837 CG1 VAL A 52 2.935 0.367 -9.063 1.00 10.00 C ATOM 838 CG2 VAL A 52 2.904 1.981 -7.143 1.00 10.00 C ATOM 0 H VAL A 52 5.447 0.832 -10.390 1.00 10.00 H new ATOM 0 HA VAL A 52 5.131 2.951 -8.333 1.00 10.00 H new ATOM 0 HB VAL A 52 2.976 2.501 -9.224 1.00 10.00 H new ATOM 0 HG11 VAL A 52 1.855 0.290 -8.940 1.00 10.00 H new ATOM 0 HG12 VAL A 52 3.189 0.249 -10.116 1.00 10.00 H new ATOM 0 HG13 VAL A 52 3.423 -0.415 -8.482 1.00 10.00 H new ATOM 0 HG21 VAL A 52 1.826 1.824 -7.108 1.00 10.00 H new ATOM 0 HG22 VAL A 52 3.394 1.285 -6.463 1.00 10.00 H new ATOM 0 HG23 VAL A 52 3.132 3.004 -6.842 1.00 10.00 H new ATOM 848 N ASP A 53 6.172 1.398 -6.670 1.00 10.00 N ATOM 849 CA ASP A 53 6.917 0.554 -5.735 1.00 10.00 C ATOM 850 C ASP A 53 6.447 0.782 -4.299 1.00 10.00 C ATOM 851 O ASP A 53 6.081 1.895 -3.915 1.00 10.00 O ATOM 852 CB ASP A 53 8.426 0.802 -5.856 1.00 10.00 C ATOM 853 CG ASP A 53 9.250 -0.273 -5.134 1.00 10.00 C ATOM 854 OD1 ASP A 53 8.675 -1.349 -4.841 1.00 10.00 O ATOM 855 OD2 ASP A 53 10.443 0.002 -4.885 1.00 10.00 O ATOM 0 H ASP A 53 5.987 2.337 -6.316 1.00 10.00 H new ATOM 0 HA ASP A 53 6.721 -0.486 -5.995 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.705 0.825 -6.909 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.666 1.781 -5.441 1.00 10.00 H new ATOM 860 N ILE A 54 6.377 -0.314 -3.543 1.00 10.00 N ATOM 861 CA ILE A 54 5.837 -0.345 -2.189 1.00 10.00 C ATOM 862 C ILE A 54 6.767 -1.105 -1.239 1.00 10.00 C ATOM 863 O ILE A 54 7.087 -2.262 -1.503 1.00 10.00 O ATOM 864 CB ILE A 54 4.417 -0.965 -2.195 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.481 -0.296 -3.234 1.00 10.00 C ATOM 866 CG2 ILE A 54 3.817 -0.882 -0.780 1.00 10.00 C ATOM 867 CD1 ILE A 54 2.038 -0.818 -3.235 1.00 10.00 C ATOM 0 H ILE A 54 6.703 -1.225 -3.866 1.00 10.00 H new ATOM 0 HA ILE A 54 5.765 0.679 -1.824 1.00 10.00 H new ATOM 0 HB ILE A 54 4.508 -2.009 -2.493 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.463 0.778 -3.047 1.00 10.00 H new ATOM 0 HG13 ILE A 54 3.904 -0.439 -4.228 1.00 10.00 H new ATOM 0 HG21 ILE A 54 2.818 -1.318 -0.782 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.451 -1.431 -0.083 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.757 0.162 -0.471 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.461 -0.290 -3.994 1.00 10.00 H new ATOM 0 HD12 ILE A 54 2.037 -1.885 -3.455 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.589 -0.649 -2.256 1.00 10.00 H new ATOM 879 N SER A 55 7.107 -0.505 -0.093 1.00 10.00 N ATOM 880 CA SER A 55 7.701 -1.234 1.036 1.00 10.00 C ATOM 881 C SER A 55 6.895 -0.892 2.279 1.00 10.00 C ATOM 882 O SER A 55 6.530 0.269 2.482 1.00 10.00 O ATOM 883 CB SER A 55 9.185 -0.932 1.260 1.00 10.00 C ATOM 884 OG SER A 55 9.756 -1.953 2.062 1.00 10.00 O ATOM 0 H SER A 55 6.980 0.492 0.079 1.00 10.00 H new ATOM 0 HA SER A 55 7.660 -2.299 0.809 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.704 -0.872 0.303 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.301 0.036 1.747 1.00 10.00 H new ATOM 0 HG SER A 55 9.268 -2.015 2.910 1.00 10.00 H new ATOM 890 N ALA A 56 6.602 -1.914 3.083 1.00 10.00 N ATOM 891 CA ALA A 56 6.025 -1.752 4.404 1.00 10.00 C ATOM 892 C ALA A 56 6.825 -2.590 5.401 1.00 10.00 C ATOM 893 O ALA A 56 7.148 -3.749 5.144 1.00 10.00 O ATOM 894 CB ALA A 56 4.543 -2.143 4.366 1.00 10.00 C ATOM 0 H ALA A 56 6.763 -2.888 2.825 1.00 10.00 H new ATOM 0 HA ALA A 56 6.077 -0.712 4.726 1.00 10.00 H new ATOM 0 HB1 ALA A 56 4.109 -2.021 5.358 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.016 -1.503 3.659 1.00 10.00 H new ATOM 0 HB3 ALA A 56 4.449 -3.183 4.054 1.00 10.00 H new ATOM 900 N GLU A 57 7.074 -2.014 6.570 1.00 10.00 N ATOM 901 CA GLU A 57 7.898 -2.586 7.621 1.00 10.00 C ATOM 902 C GLU A 57 7.081 -2.634 8.909 1.00 10.00 C ATOM 903 O GLU A 57 6.414 -1.662 9.265 1.00 10.00 O ATOM 904 CB GLU A 57 9.138 -1.717 7.850 1.00 10.00 C ATOM 905 CG GLU A 57 10.184 -1.696 6.726 1.00 10.00 C ATOM 906 CD GLU A 57 9.793 -0.913 5.450 1.00 10.00 C ATOM 907 OE1 GLU A 57 9.804 0.333 5.504 1.00 10.00 O ATOM 908 OE2 GLU A 57 9.546 -1.550 4.393 1.00 10.00 O ATOM 0 H GLU A 57 6.692 -1.102 6.819 1.00 10.00 H new ATOM 0 HA GLU A 57 8.214 -3.588 7.330 1.00 10.00 H new ATOM 0 HB2 GLU A 57 8.808 -0.693 8.026 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.627 -2.056 8.763 1.00 10.00 H new ATOM 0 HG2 GLU A 57 11.105 -1.269 7.122 1.00 10.00 H new ATOM 0 HG3 GLU A 57 10.405 -2.725 6.443 1.00 10.00 H new ATOM 915 N LEU A 58 7.164 -3.765 9.614 1.00 10.00 N ATOM 916 CA LEU A 58 6.359 -4.081 10.789 1.00 10.00 C ATOM 917 C LEU A 58 7.275 -4.227 12.001 1.00 10.00 C ATOM 918 O LEU A 58 7.956 -5.243 12.149 1.00 10.00 O ATOM 919 CB LEU A 58 5.555 -5.368 10.506 1.00 10.00 C ATOM 920 CG LEU A 58 4.175 -5.084 9.891 1.00 10.00 C ATOM 921 CD1 LEU A 58 3.588 -6.346 9.256 1.00 10.00 C ATOM 922 CD2 LEU A 58 3.205 -4.625 10.982 1.00 10.00 C ATOM 0 H LEU A 58 7.817 -4.510 9.371 1.00 10.00 H new ATOM 0 HA LEU A 58 5.651 -3.281 11.007 1.00 10.00 H new ATOM 0 HB2 LEU A 58 6.125 -6.006 9.830 1.00 10.00 H new ATOM 0 HB3 LEU A 58 5.427 -5.923 11.435 1.00 10.00 H new ATOM 0 HG LEU A 58 4.305 -4.312 9.132 1.00 10.00 H new ATOM 0 HD11 LEU A 58 2.612 -6.118 8.828 1.00 10.00 H new ATOM 0 HD12 LEU A 58 4.254 -6.702 8.470 1.00 10.00 H new ATOM 0 HD13 LEU A 58 3.479 -7.119 10.017 1.00 10.00 H new ATOM 0 HD21 LEU A 58 2.229 -4.425 10.540 1.00 10.00 H new ATOM 0 HD22 LEU A 58 3.109 -5.406 11.736 1.00 10.00 H new ATOM 0 HD23 LEU A 58 3.585 -3.716 11.448 1.00 10.00 H new ATOM 934 N TYR A 59 7.284 -3.213 12.872 1.00 10.00 N ATOM 935 CA TYR A 59 8.112 -3.221 14.069 1.00 10.00 C ATOM 936 C TYR A 59 7.241 -3.672 15.245 1.00 10.00 C ATOM 937 O TYR A 59 6.409 -2.917 15.754 1.00 10.00 O ATOM 938 CB TYR A 59 8.744 -1.840 14.282 1.00 10.00 C ATOM 939 CG TYR A 59 9.586 -1.319 13.124 1.00 10.00 C ATOM 940 CD1 TYR A 59 8.984 -0.562 12.098 1.00 10.00 C ATOM 941 CD2 TYR A 59 10.981 -1.525 13.103 1.00 10.00 C ATOM 942 CE1 TYR A 59 9.774 0.084 11.136 1.00 10.00 C ATOM 943 CE2 TYR A 59 11.776 -0.899 12.122 1.00 10.00 C ATOM 944 CZ TYR A 59 11.177 -0.049 11.167 1.00 10.00 C ATOM 945 OH TYR A 59 11.951 0.677 10.316 1.00 10.00 O ATOM 0 H TYR A 59 6.719 -2.371 12.763 1.00 10.00 H new ATOM 0 HA TYR A 59 8.942 -3.921 13.972 1.00 10.00 H new ATOM 0 HB2 TYR A 59 7.948 -1.122 14.482 1.00 10.00 H new ATOM 0 HB3 TYR A 59 9.369 -1.879 15.174 1.00 10.00 H new ATOM 0 HD1 TYR A 59 7.908 -0.479 12.053 1.00 10.00 H new ATOM 0 HD2 TYR A 59 11.442 -2.165 13.841 1.00 10.00 H new ATOM 0 HE1 TYR A 59 9.306 0.685 10.370 1.00 10.00 H new ATOM 0 HE2 TYR A 59 12.842 -1.069 12.101 1.00 10.00 H new ATOM 0 HH TYR A 59 11.638 1.605 10.300 1.00 10.00 H new ATOM 955 N LEU A 60 7.423 -4.936 15.636 1.00 10.00 N ATOM 956 CA LEU A 60 6.769 -5.565 16.783 1.00 10.00 C ATOM 957 C LEU A 60 7.532 -5.290 18.083 1.00 10.00 C ATOM 958 O LEU A 60 8.752 -5.120 18.080 1.00 10.00 O ATOM 959 CB LEU A 60 6.644 -7.089 16.559 1.00 10.00 C ATOM 960 CG LEU A 60 5.486 -7.577 15.665 1.00 10.00 C ATOM 961 CD1 LEU A 60 4.141 -7.338 16.356 1.00 10.00 C ATOM 962 CD2 LEU A 60 5.441 -6.955 14.266 1.00 10.00 C ATOM 0 H LEU A 60 8.052 -5.571 15.144 1.00 10.00 H new ATOM 0 HA LEU A 60 5.773 -5.131 16.876 1.00 10.00 H new ATOM 0 HB2 LEU A 60 7.579 -7.445 16.125 1.00 10.00 H new ATOM 0 HB3 LEU A 60 6.543 -7.567 17.534 1.00 10.00 H new ATOM 0 HG LEU A 60 5.676 -8.641 15.522 1.00 10.00 H new ATOM 0 HD11 LEU A 60 3.334 -7.688 15.712 1.00 10.00 H new ATOM 0 HD12 LEU A 60 4.115 -7.883 17.299 1.00 10.00 H new ATOM 0 HD13 LEU A 60 4.015 -6.273 16.549 1.00 10.00 H new ATOM 0 HD21 LEU A 60 4.593 -7.361 13.714 1.00 10.00 H new ATOM 0 HD22 LEU A 60 5.334 -5.874 14.352 1.00 10.00 H new ATOM 0 HD23 LEU A 60 6.364 -7.187 13.735 1.00 10.00 H new ATOM 974 N ASP A 61 6.800 -5.281 19.198 1.00 10.00 N ATOM 975 CA ASP A 61 7.381 -5.251 20.542 1.00 10.00 C ATOM 976 C ASP A 61 8.241 -6.499 20.816 1.00 10.00 C ATOM 977 O ASP A 61 7.899 -7.605 20.399 1.00 10.00 O ATOM 978 CB ASP A 61 6.252 -5.111 21.578 1.00 10.00 C ATOM 979 CG ASP A 61 6.767 -4.902 23.007 1.00 10.00 C ATOM 980 OD1 ASP A 61 7.928 -4.453 23.152 1.00 10.00 O ATOM 981 OD2 ASP A 61 5.992 -5.211 23.937 1.00 10.00 O ATOM 0 H ASP A 61 5.780 -5.294 19.194 1.00 10.00 H new ATOM 0 HA ASP A 61 8.046 -4.391 20.619 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.616 -4.270 21.301 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.629 -6.005 21.550 1.00 10.00 H new ATOM 986 N GLU A 62 9.311 -6.355 21.608 1.00 10.00 N ATOM 987 CA GLU A 62 10.266 -7.423 21.978 1.00 10.00 C ATOM 988 C GLU A 62 9.668 -8.473 22.953 1.00 10.00 C ATOM 989 O GLU A 62 10.384 -9.194 23.645 1.00 10.00 O ATOM 990 CB GLU A 62 11.561 -6.794 22.532 1.00 10.00 C ATOM 991 CG GLU A 62 12.277 -5.907 21.501 1.00 10.00 C ATOM 992 CD GLU A 62 13.655 -5.466 22.007 1.00 10.00 C ATOM 993 OE1 GLU A 62 13.711 -4.442 22.725 1.00 10.00 O ATOM 994 OE2 GLU A 62 14.643 -6.159 21.673 1.00 10.00 O ATOM 0 H GLU A 62 9.550 -5.457 22.029 1.00 10.00 H new ATOM 0 HA GLU A 62 10.501 -7.981 21.071 1.00 10.00 H new ATOM 0 HB2 GLU A 62 11.323 -6.199 23.414 1.00 10.00 H new ATOM 0 HB3 GLU A 62 12.236 -7.587 22.855 1.00 10.00 H new ATOM 0 HG2 GLU A 62 12.389 -6.453 20.564 1.00 10.00 H new ATOM 0 HG3 GLU A 62 11.667 -5.029 21.288 1.00 10.00 H new ATOM 1001 N LEU A 63 8.336 -8.536 23.000 1.00 10.00 N ATOM 1002 CA LEU A 63 7.469 -9.321 23.879 1.00 10.00 C ATOM 1003 C LEU A 63 6.202 -9.793 23.131 1.00 10.00 C ATOM 1004 O LEU A 63 5.181 -10.134 23.736 1.00 10.00 O ATOM 1005 CB LEU A 63 7.116 -8.433 25.087 1.00 10.00 C ATOM 1006 CG LEU A 63 8.141 -8.489 26.235 1.00 10.00 C ATOM 1007 CD1 LEU A 63 7.890 -7.344 27.219 1.00 10.00 C ATOM 1008 CD2 LEU A 63 8.037 -9.814 27.003 1.00 10.00 C ATOM 0 H LEU A 63 7.779 -7.978 22.353 1.00 10.00 H new ATOM 0 HA LEU A 63 7.979 -10.224 24.215 1.00 10.00 H new ATOM 0 HB2 LEU A 63 7.022 -7.401 24.749 1.00 10.00 H new ATOM 0 HB3 LEU A 63 6.141 -8.733 25.471 1.00 10.00 H new ATOM 0 HG LEU A 63 9.134 -8.402 25.795 1.00 10.00 H new ATOM 0 HD11 LEU A 63 8.620 -7.392 28.027 1.00 10.00 H new ATOM 0 HD12 LEU A 63 7.986 -6.390 26.700 1.00 10.00 H new ATOM 0 HD13 LEU A 63 6.885 -7.433 27.632 1.00 10.00 H new ATOM 0 HD21 LEU A 63 8.772 -9.827 27.808 1.00 10.00 H new ATOM 0 HD22 LEU A 63 7.036 -9.913 27.424 1.00 10.00 H new ATOM 0 HD23 LEU A 63 8.229 -10.644 26.323 1.00 10.00 H new ATOM 1020 N SER A 64 6.209 -9.767 21.796 1.00 10.00 N ATOM 1021 CA SER A 64 5.139 -10.331 20.964 1.00 10.00 C ATOM 1022 C SER A 64 5.654 -10.738 19.581 1.00 10.00 C ATOM 1023 O SER A 64 6.507 -10.071 19.002 1.00 10.00 O ATOM 1024 CB SER A 64 4.001 -9.313 20.862 1.00 10.00 C ATOM 1025 OG SER A 64 3.327 -9.260 22.111 1.00 10.00 O ATOM 0 H SER A 64 6.966 -9.349 21.255 1.00 10.00 H new ATOM 0 HA SER A 64 4.765 -11.241 21.433 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.395 -8.330 20.603 1.00 10.00 H new ATOM 0 HB3 SER A 64 3.308 -9.598 20.070 1.00 10.00 H new ATOM 0 HG SER A 64 3.760 -9.871 22.743 1.00 10.00 H new ATOM 1031 N ASP A 65 5.084 -11.811 19.024 1.00 10.00 N ATOM 1032 CA ASP A 65 5.603 -12.506 17.853 1.00 10.00 C ATOM 1033 C ASP A 65 4.444 -12.862 16.916 1.00 10.00 C ATOM 1034 O ASP A 65 3.760 -13.873 17.069 1.00 10.00 O ATOM 1035 CB ASP A 65 6.362 -13.770 18.299 1.00 10.00 C ATOM 1036 CG ASP A 65 7.572 -13.464 19.186 1.00 10.00 C ATOM 1037 OD1 ASP A 65 7.376 -13.392 20.421 1.00 10.00 O ATOM 1038 OD2 ASP A 65 8.678 -13.334 18.616 1.00 10.00 O ATOM 0 H ASP A 65 4.227 -12.227 19.388 1.00 10.00 H new ATOM 0 HA ASP A 65 6.297 -11.861 17.314 1.00 10.00 H new ATOM 0 HB2 ASP A 65 5.679 -14.424 18.840 1.00 10.00 H new ATOM 0 HB3 ASP A 65 6.695 -14.317 17.417 1.00 10.00 H new ATOM 1043 N ALA A 66 4.224 -11.975 15.950 1.00 10.00 N ATOM 1044 CA ALA A 66 3.340 -12.189 14.806 1.00 10.00 C ATOM 1045 C ALA A 66 3.998 -13.102 13.737 1.00 10.00 C ATOM 1046 O ALA A 66 5.121 -13.576 13.920 1.00 10.00 O ATOM 1047 CB ALA A 66 2.939 -10.811 14.264 1.00 10.00 C ATOM 0 H ALA A 66 4.670 -11.058 15.941 1.00 10.00 H new ATOM 0 HA ALA A 66 2.440 -12.724 15.110 1.00 10.00 H new ATOM 0 HB1 ALA A 66 2.277 -10.936 13.407 1.00 10.00 H new ATOM 0 HB2 ALA A 66 2.422 -10.250 15.043 1.00 10.00 H new ATOM 0 HB3 ALA A 66 3.832 -10.267 13.957 1.00 10.00 H new ATOM 1053 N ASP A 67 3.334 -13.337 12.596 1.00 10.00 N ATOM 1054 CA ASP A 67 3.787 -14.358 11.639 1.00 10.00 C ATOM 1055 C ASP A 67 4.850 -13.810 10.659 1.00 10.00 C ATOM 1056 O ASP A 67 4.752 -12.660 10.209 1.00 10.00 O ATOM 1057 CB ASP A 67 2.608 -14.890 10.806 1.00 10.00 C ATOM 1058 CG ASP A 67 1.547 -15.634 11.615 1.00 10.00 C ATOM 1059 OD1 ASP A 67 1.928 -16.455 12.474 1.00 10.00 O ATOM 1060 OD2 ASP A 67 0.351 -15.381 11.329 1.00 10.00 O ATOM 0 H ASP A 67 2.489 -12.839 12.315 1.00 10.00 H new ATOM 0 HA ASP A 67 4.227 -15.157 12.236 1.00 10.00 H new ATOM 0 HB2 ASP A 67 2.135 -14.053 10.293 1.00 10.00 H new ATOM 0 HB3 ASP A 67 2.995 -15.558 10.037 1.00 10.00 H new ATOM 1065 N PRO A 68 5.847 -14.636 10.267 1.00 10.00 N ATOM 1066 CA PRO A 68 6.977 -14.252 9.414 1.00 10.00 C ATOM 1067 C PRO A 68 6.580 -14.105 7.930 1.00 10.00 C ATOM 1068 O PRO A 68 7.091 -14.804 7.057 1.00 10.00 O ATOM 1069 CB PRO A 68 8.042 -15.330 9.669 1.00 10.00 C ATOM 1070 CG PRO A 68 7.203 -16.579 9.920 1.00 10.00 C ATOM 1071 CD PRO A 68 6.018 -16.019 10.704 1.00 10.00 C ATOM 0 HA PRO A 68 7.359 -13.261 9.659 1.00 10.00 H new ATOM 0 HB2 PRO A 68 8.706 -15.454 8.813 1.00 10.00 H new ATOM 0 HB3 PRO A 68 8.669 -15.085 10.526 1.00 10.00 H new ATOM 0 HG2 PRO A 68 6.889 -17.052 8.990 1.00 10.00 H new ATOM 0 HG3 PRO A 68 7.750 -17.329 10.490 1.00 10.00 H new ATOM 0 HD2 PRO A 68 5.116 -16.601 10.512 1.00 10.00 H new ATOM 0 HD3 PRO A 68 6.206 -16.066 11.777 1.00 10.00 H new ATOM 1079 N GLY A 69 5.648 -13.190 7.645 1.00 10.00 N ATOM 1080 CA GLY A 69 5.128 -12.951 6.294 1.00 10.00 C ATOM 1081 C GLY A 69 4.028 -11.890 6.158 1.00 10.00 C ATOM 1082 O GLY A 69 3.648 -11.577 5.035 1.00 10.00 O ATOM 0 H GLY A 69 5.229 -12.588 8.353 1.00 10.00 H new ATOM 0 HA2 GLY A 69 5.962 -12.661 5.655 1.00 10.00 H new ATOM 0 HA3 GLY A 69 4.742 -13.894 5.906 1.00 10.00 H new ATOM 1086 N ILE A 70 3.539 -11.282 7.249 1.00 10.00 N ATOM 1087 CA ILE A 70 2.443 -10.310 7.230 1.00 10.00 C ATOM 1088 C ILE A 70 2.748 -9.071 6.365 1.00 10.00 C ATOM 1089 O ILE A 70 1.831 -8.472 5.814 1.00 10.00 O ATOM 1090 CB ILE A 70 2.083 -9.969 8.691 1.00 10.00 C ATOM 1091 CG1 ILE A 70 1.631 -11.258 9.416 1.00 10.00 C ATOM 1092 CG2 ILE A 70 0.964 -8.926 8.757 1.00 10.00 C ATOM 1093 CD1 ILE A 70 1.331 -11.078 10.902 1.00 10.00 C ATOM 0 H ILE A 70 3.903 -11.458 8.185 1.00 10.00 H new ATOM 0 HA ILE A 70 1.573 -10.751 6.743 1.00 10.00 H new ATOM 0 HB ILE A 70 2.965 -9.552 9.177 1.00 10.00 H new ATOM 0 HG12 ILE A 70 0.739 -11.643 8.922 1.00 10.00 H new ATOM 0 HG13 ILE A 70 2.408 -12.014 9.304 1.00 10.00 H new ATOM 0 HG21 ILE A 70 0.732 -8.706 9.799 1.00 10.00 H new ATOM 0 HG22 ILE A 70 1.288 -8.013 8.257 1.00 10.00 H new ATOM 0 HG23 ILE A 70 0.074 -9.315 8.262 1.00 10.00 H new ATOM 0 HD11 ILE A 70 1.022 -12.032 11.329 1.00 10.00 H new ATOM 0 HD12 ILE A 70 2.226 -10.725 11.414 1.00 10.00 H new ATOM 0 HD13 ILE A 70 0.531 -10.348 11.026 1.00 10.00 H new ATOM 1105 N VAL A 71 4.026 -8.717 6.180 1.00 10.00 N ATOM 1106 CA VAL A 71 4.458 -7.706 5.202 1.00 10.00 C ATOM 1107 C VAL A 71 4.080 -8.128 3.780 1.00 10.00 C ATOM 1108 O VAL A 71 3.432 -7.367 3.069 1.00 10.00 O ATOM 1109 CB VAL A 71 5.982 -7.538 5.268 1.00 10.00 C ATOM 1110 CG1 VAL A 71 6.544 -6.704 4.109 1.00 10.00 C ATOM 1111 CG2 VAL A 71 6.436 -6.926 6.599 1.00 10.00 C ATOM 0 H VAL A 71 4.797 -9.126 6.708 1.00 10.00 H new ATOM 0 HA VAL A 71 3.960 -6.767 5.445 1.00 10.00 H new ATOM 0 HB VAL A 71 6.383 -8.548 5.184 1.00 10.00 H new ATOM 0 HG11 VAL A 71 7.626 -6.621 4.212 1.00 10.00 H new ATOM 0 HG12 VAL A 71 6.305 -7.189 3.163 1.00 10.00 H new ATOM 0 HG13 VAL A 71 6.100 -5.709 4.128 1.00 10.00 H new ATOM 0 HG21 VAL A 71 7.521 -6.825 6.602 1.00 10.00 H new ATOM 0 HG22 VAL A 71 5.980 -5.944 6.722 1.00 10.00 H new ATOM 0 HG23 VAL A 71 6.130 -7.574 7.421 1.00 10.00 H new ATOM 1121 N ASP A 72 4.476 -9.340 3.374 1.00 10.00 N ATOM 1122 CA ASP A 72 4.156 -9.902 2.062 1.00 10.00 C ATOM 1123 C ASP A 72 2.639 -9.970 1.866 1.00 10.00 C ATOM 1124 O ASP A 72 2.149 -9.527 0.830 1.00 10.00 O ATOM 1125 CB ASP A 72 4.825 -11.277 1.914 1.00 10.00 C ATOM 1126 CG ASP A 72 4.741 -11.805 0.482 1.00 10.00 C ATOM 1127 OD1 ASP A 72 5.399 -11.191 -0.387 1.00 10.00 O ATOM 1128 OD2 ASP A 72 4.049 -12.828 0.283 1.00 10.00 O ATOM 0 H ASP A 72 5.035 -9.964 3.957 1.00 10.00 H new ATOM 0 HA ASP A 72 4.548 -9.255 1.278 1.00 10.00 H new ATOM 0 HB2 ASP A 72 5.871 -11.205 2.213 1.00 10.00 H new ATOM 0 HB3 ASP A 72 4.348 -11.987 2.590 1.00 10.00 H new ATOM 1133 N GLU A 73 1.889 -10.361 2.910 1.00 10.00 N ATOM 1134 CA GLU A 73 0.422 -10.343 2.877 1.00 10.00 C ATOM 1135 C GLU A 73 -0.116 -8.908 2.725 1.00 10.00 C ATOM 1136 O GLU A 73 -1.053 -8.684 1.956 1.00 10.00 O ATOM 1137 CB GLU A 73 -0.183 -10.910 4.177 1.00 10.00 C ATOM 1138 CG GLU A 73 0.182 -12.341 4.603 1.00 10.00 C ATOM 1139 CD GLU A 73 -0.320 -12.664 6.027 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -1.248 -11.992 6.537 1.00 10.00 O ATOM 1141 OE2 GLU A 73 0.233 -13.589 6.664 1.00 10.00 O ATOM 0 H GLU A 73 2.280 -10.695 3.791 1.00 10.00 H new ATOM 0 HA GLU A 73 0.135 -10.957 2.023 1.00 10.00 H new ATOM 0 HB2 GLU A 73 0.099 -10.242 4.991 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -1.268 -10.860 4.085 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -0.248 -13.051 3.897 1.00 10.00 H new ATOM 0 HG3 GLU A 73 1.264 -12.467 4.562 1.00 10.00 H new ATOM 1148 N ALA A 74 0.474 -7.925 3.426 1.00 10.00 N ATOM 1149 CA ALA A 74 -0.011 -6.545 3.379 1.00 10.00 C ATOM 1150 C ALA A 74 0.240 -5.905 2.014 1.00 10.00 C ATOM 1151 O ALA A 74 -0.632 -5.233 1.456 1.00 10.00 O ATOM 1152 CB ALA A 74 0.687 -5.712 4.458 1.00 10.00 C ATOM 0 H ALA A 74 1.285 -8.065 4.029 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.086 -6.567 3.556 1.00 10.00 H new ATOM 0 HB1 ALA A 74 0.322 -4.686 4.418 1.00 10.00 H new ATOM 0 HB2 ALA A 74 0.473 -6.135 5.439 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.763 -5.721 4.285 1.00 10.00 H new ATOM 1158 N VAL A 75 1.445 -6.111 1.480 1.00 10.00 N ATOM 1159 CA VAL A 75 1.852 -5.505 0.221 1.00 10.00 C ATOM 1160 C VAL A 75 1.194 -6.241 -0.960 1.00 10.00 C ATOM 1161 O VAL A 75 0.765 -5.569 -1.889 1.00 10.00 O ATOM 1162 CB VAL A 75 3.384 -5.343 0.161 1.00 10.00 C ATOM 1163 CG1 VAL A 75 3.775 -4.539 -1.076 1.00 10.00 C ATOM 1164 CG2 VAL A 75 3.908 -4.532 1.366 1.00 10.00 C ATOM 0 H VAL A 75 2.159 -6.700 1.909 1.00 10.00 H new ATOM 0 HA VAL A 75 1.481 -4.483 0.145 1.00 10.00 H new ATOM 0 HB VAL A 75 3.806 -6.348 0.152 1.00 10.00 H new ATOM 0 HG11 VAL A 75 4.859 -4.429 -1.111 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.434 -5.059 -1.971 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.312 -3.553 -1.031 1.00 10.00 H new ATOM 0 HG21 VAL A 75 4.991 -4.435 1.296 1.00 10.00 H new ATOM 0 HG22 VAL A 75 3.454 -3.541 1.363 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.649 -5.047 2.291 1.00 10.00 H new ATOM 1174 N ASP A 76 0.966 -7.564 -0.899 1.00 10.00 N ATOM 1175 CA ASP A 76 0.109 -8.306 -1.844 1.00 10.00 C ATOM 1176 C ASP A 76 -1.327 -7.759 -1.850 1.00 10.00 C ATOM 1177 O ASP A 76 -1.890 -7.527 -2.922 1.00 10.00 O ATOM 1178 CB ASP A 76 0.104 -9.793 -1.449 1.00 10.00 C ATOM 1179 CG ASP A 76 -1.006 -10.603 -2.122 1.00 10.00 C ATOM 1180 OD1 ASP A 76 -1.132 -10.568 -3.364 1.00 10.00 O ATOM 1181 OD2 ASP A 76 -1.799 -11.238 -1.393 1.00 10.00 O ATOM 0 H ASP A 76 1.378 -8.159 -0.180 1.00 10.00 H new ATOM 0 HA ASP A 76 0.511 -8.185 -2.850 1.00 10.00 H new ATOM 0 HB2 ASP A 76 1.068 -10.231 -1.705 1.00 10.00 H new ATOM 0 HB3 ASP A 76 -0.005 -9.872 -0.367 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.893 -7.464 -0.672 1.00 10.00 N ATOM 1187 CA ALA A 77 -3.224 -6.867 -0.588 1.00 10.00 C ATOM 1188 C ALA A 77 -3.247 -5.478 -1.249 1.00 10.00 C ATOM 1189 O ALA A 77 -4.167 -5.185 -2.017 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.675 -6.821 0.878 1.00 10.00 C ATOM 0 H ALA A 77 -1.448 -7.630 0.231 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.933 -7.484 -1.139 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.668 -6.375 0.939 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.706 -7.833 1.281 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.972 -6.222 1.456 1.00 10.00 H new ATOM 1196 N ALA A 78 -2.210 -4.658 -1.029 1.00 10.00 N ATOM 1197 CA ALA A 78 -2.044 -3.390 -1.735 1.00 10.00 C ATOM 1198 C ALA A 78 -1.849 -3.574 -3.252 1.00 10.00 C ATOM 1199 O ALA A 78 -2.517 -2.886 -4.021 1.00 10.00 O ATOM 1200 CB ALA A 78 -0.893 -2.605 -1.097 1.00 10.00 C ATOM 0 H ALA A 78 -1.468 -4.858 -0.358 1.00 10.00 H new ATOM 0 HA ALA A 78 -2.965 -2.817 -1.632 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.765 -1.657 -1.620 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.121 -2.413 -0.049 1.00 10.00 H new ATOM 0 HB3 ALA A 78 0.027 -3.186 -1.168 1.00 10.00 H new ATOM 1206 N TYR A 79 -1.008 -4.519 -3.701 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.772 -4.757 -5.128 1.00 10.00 C ATOM 1208 C TYR A 79 -2.043 -5.234 -5.842 1.00 10.00 C ATOM 1209 O TYR A 79 -2.393 -4.680 -6.884 1.00 10.00 O ATOM 1210 CB TYR A 79 0.295 -5.855 -5.310 1.00 10.00 C ATOM 1211 CG TYR A 79 1.749 -5.505 -5.040 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.354 -4.428 -5.721 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.533 -6.339 -4.213 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.733 -4.175 -5.575 1.00 10.00 C ATOM 1215 CE2 TYR A 79 3.923 -6.130 -4.122 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.523 -5.036 -4.781 1.00 10.00 C ATOM 1217 OH TYR A 79 5.857 -4.815 -4.631 1.00 10.00 O ATOM 0 H TYR A 79 -0.476 -5.135 -3.086 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.445 -3.810 -5.557 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.028 -6.688 -4.659 1.00 10.00 H new ATOM 0 HB3 TYR A 79 0.226 -6.217 -6.336 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.757 -3.793 -6.359 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.068 -7.136 -3.651 1.00 10.00 H new ATOM 0 HE1 TYR A 79 4.184 -3.326 -6.068 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.532 -6.810 -3.545 1.00 10.00 H new ATOM 0 HH TYR A 79 6.240 -5.506 -4.050 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.805 -6.160 -5.242 1.00 10.00 N ATOM 1228 CA ARG A 80 -4.057 -6.644 -5.834 1.00 10.00 C ATOM 1229 C ARG A 80 -5.169 -5.596 -5.757 1.00 10.00 C ATOM 1230 O ARG A 80 -5.940 -5.454 -6.709 1.00 10.00 O ATOM 1231 CB ARG A 80 -4.444 -8.013 -5.245 1.00 10.00 C ATOM 1232 CG ARG A 80 -3.466 -9.092 -5.755 1.00 10.00 C ATOM 1233 CD ARG A 80 -3.966 -10.528 -5.562 1.00 10.00 C ATOM 1234 NE ARG A 80 -3.663 -11.062 -4.225 1.00 10.00 N ATOM 1235 CZ ARG A 80 -4.323 -12.013 -3.579 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -5.405 -12.569 -4.076 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -3.909 -12.444 -2.417 1.00 10.00 N ATOM 0 H ARG A 80 -2.574 -6.588 -4.346 1.00 10.00 H new ATOM 0 HA ARG A 80 -3.898 -6.804 -6.900 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -4.420 -7.972 -4.156 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -5.464 -8.268 -5.532 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -3.276 -8.924 -6.815 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -2.513 -8.977 -5.238 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -5.043 -10.558 -5.725 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -3.512 -11.171 -6.316 1.00 10.00 H new ATOM 0 HE ARG A 80 -2.860 -10.657 -3.744 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -5.760 -12.271 -4.985 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -5.890 -13.299 -3.553 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -3.068 -12.048 -1.996 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -4.426 -13.176 -1.931 1.00 10.00 H new ATOM 1251 N SER A 81 -5.209 -4.786 -4.689 1.00 10.00 N ATOM 1252 CA SER A 81 -6.095 -3.620 -4.645 1.00 10.00 C ATOM 1253 C SER A 81 -5.711 -2.538 -5.663 1.00 10.00 C ATOM 1254 O SER A 81 -6.590 -1.772 -6.056 1.00 10.00 O ATOM 1255 CB SER A 81 -6.140 -3.001 -3.249 1.00 10.00 C ATOM 1256 OG SER A 81 -7.169 -2.032 -3.243 1.00 10.00 O ATOM 0 H SER A 81 -4.642 -4.918 -3.852 1.00 10.00 H new ATOM 0 HA SER A 81 -7.083 -3.996 -4.909 1.00 10.00 H new ATOM 0 HB2 SER A 81 -6.331 -3.767 -2.497 1.00 10.00 H new ATOM 0 HB3 SER A 81 -5.182 -2.543 -3.002 1.00 10.00 H new ATOM 0 HG SER A 81 -7.367 -1.760 -4.163 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.441 -2.455 -6.080 1.00 10.00 N ATOM 1263 CA LEU A 82 -3.993 -1.538 -7.126 1.00 10.00 C ATOM 1264 C LEU A 82 -4.284 -2.084 -8.528 1.00 10.00 C ATOM 1265 O LEU A 82 -4.716 -1.317 -9.382 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.499 -1.240 -6.941 1.00 10.00 C ATOM 1267 CG LEU A 82 -1.972 -0.081 -7.809 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -2.674 1.260 -7.552 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -0.482 0.104 -7.530 1.00 10.00 C ATOM 0 H LEU A 82 -3.692 -3.030 -5.695 1.00 10.00 H new ATOM 0 HA LEU A 82 -4.555 -0.608 -7.033 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.314 -1.007 -5.892 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -1.929 -2.140 -7.172 1.00 10.00 H new ATOM 0 HG LEU A 82 -2.172 -0.356 -8.845 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -2.247 2.025 -8.201 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -3.739 1.159 -7.762 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -2.535 1.550 -6.510 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -0.097 0.922 -8.139 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -0.335 0.336 -6.475 1.00 10.00 H new ATOM 0 HD23 LEU A 82 0.051 -0.814 -7.777 1.00 10.00 H new ATOM 1281 N GLU A 83 -4.147 -3.395 -8.768 1.00 10.00 N ATOM 1282 CA GLU A 83 -4.621 -4.005 -10.021 1.00 10.00 C ATOM 1283 C GLU A 83 -6.131 -3.779 -10.198 1.00 10.00 C ATOM 1284 O GLU A 83 -6.568 -3.368 -11.272 1.00 10.00 O ATOM 1285 CB GLU A 83 -4.310 -5.509 -10.033 1.00 10.00 C ATOM 1286 CG GLU A 83 -2.812 -5.803 -10.189 1.00 10.00 C ATOM 1287 CD GLU A 83 -2.536 -7.308 -10.093 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -2.769 -7.865 -8.997 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -2.105 -7.886 -11.116 1.00 10.00 O ATOM 0 H GLU A 83 -3.715 -4.051 -8.117 1.00 10.00 H new ATOM 0 HA GLU A 83 -4.099 -3.529 -10.851 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -4.670 -5.958 -9.107 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -4.856 -5.982 -10.849 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -2.462 -5.426 -11.150 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -2.252 -5.277 -9.416 1.00 10.00 H new ATOM 1296 N SER A 84 -6.906 -3.910 -9.112 1.00 10.00 N ATOM 1297 CA SER A 84 -8.342 -3.600 -9.082 1.00 10.00 C ATOM 1298 C SER A 84 -8.653 -2.116 -9.364 1.00 10.00 C ATOM 1299 O SER A 84 -9.717 -1.786 -9.880 1.00 10.00 O ATOM 1300 CB SER A 84 -8.887 -4.020 -7.713 1.00 10.00 C ATOM 1301 OG SER A 84 -10.298 -3.979 -7.683 1.00 10.00 O ATOM 0 H SER A 84 -6.547 -4.239 -8.216 1.00 10.00 H new ATOM 0 HA SER A 84 -8.830 -4.154 -9.884 1.00 10.00 H new ATOM 0 HB2 SER A 84 -8.546 -5.028 -7.478 1.00 10.00 H new ATOM 0 HB3 SER A 84 -8.486 -3.361 -6.943 1.00 10.00 H new ATOM 0 HG SER A 84 -10.614 -4.254 -6.797 1.00 10.00 H new ATOM 1307 N PHE A 85 -7.723 -1.205 -9.049 1.00 10.00 N ATOM 1308 CA PHE A 85 -7.821 0.224 -9.355 1.00 10.00 C ATOM 1309 C PHE A 85 -7.421 0.544 -10.813 1.00 10.00 C ATOM 1310 O PHE A 85 -8.095 1.325 -11.486 1.00 10.00 O ATOM 1311 CB PHE A 85 -6.937 0.945 -8.325 1.00 10.00 C ATOM 1312 CG PHE A 85 -7.044 2.452 -8.235 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -6.485 3.257 -9.243 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -7.586 3.054 -7.081 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -6.433 4.650 -9.079 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -7.563 4.452 -6.934 1.00 10.00 C ATOM 1317 CZ PHE A 85 -6.983 5.252 -7.933 1.00 10.00 C ATOM 0 H PHE A 85 -6.861 -1.450 -8.562 1.00 10.00 H new ATOM 0 HA PHE A 85 -8.853 0.567 -9.281 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -7.165 0.534 -7.342 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -5.898 0.695 -8.542 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -6.096 2.804 -10.143 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -8.021 2.439 -6.307 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -5.968 5.263 -9.837 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -7.991 4.910 -6.055 1.00 10.00 H new ATOM 0 HZ PHE A 85 -6.960 6.326 -7.821 1.00 10.00 H new ATOM 1327 N LEU A 86 -6.344 -0.076 -11.320 1.00 10.00 N ATOM 1328 CA LEU A 86 -5.834 0.075 -12.693 1.00 10.00 C ATOM 1329 C LEU A 86 -6.733 -0.571 -13.762 1.00 10.00 C ATOM 1330 O LEU A 86 -6.632 -0.193 -14.932 1.00 10.00 O ATOM 1331 CB LEU A 86 -4.400 -0.484 -12.775 1.00 10.00 C ATOM 1332 CG LEU A 86 -3.266 0.511 -12.434 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -2.978 1.436 -13.618 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -3.515 1.405 -11.212 1.00 10.00 C ATOM 0 H LEU A 86 -5.783 -0.721 -10.764 1.00 10.00 H new ATOM 0 HA LEU A 86 -5.834 1.142 -12.916 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -4.324 -1.337 -12.100 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -4.235 -0.861 -13.784 1.00 10.00 H new ATOM 0 HG LEU A 86 -2.423 -0.138 -12.198 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -2.177 2.126 -13.354 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -2.675 0.841 -14.479 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -3.877 2.001 -13.866 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -2.659 2.063 -11.062 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -4.410 2.005 -11.376 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -3.653 0.783 -10.328 1.00 10.00 H new