USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 HIS : no HE2:sc= 1.25 K(o=2.7,f=-7.5!) USER MOD Set 1.2: A 20 ASN : amide:sc= 0.147 K(o=2.7,f=0.62) USER MOD Set 1.3: A 23 SER OG : rot 177:sc= 1.26 USER MOD Single : A 7 THR OG1 : rot -74:sc= 1.11 USER MOD Single : A 15 SER OG : rot 95:sc= 1.21 USER MOD Single : A 16 SER OG : rot 92:sc= 1.16 USER MOD Single : A 21 THR OG1 : rot 97:sc= 1.25 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.236 USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.114) 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 -64:sc= 0.947 USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 1.18 (180deg=0.966) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 165:sc= 1.04 USER MOD Single : A 64 SER OG : rot -100:sc= 0.862 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -103:sc= 0.227 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -3.836 12.267 -14.855 1.00 10.00 N ATOM 95 CA LEU A 6 -3.089 11.911 -13.650 1.00 10.00 C ATOM 96 C LEU A 6 -2.072 13.008 -13.308 1.00 10.00 C ATOM 97 O LEU A 6 -1.044 13.148 -13.968 1.00 10.00 O ATOM 98 CB LEU A 6 -2.424 10.531 -13.820 1.00 10.00 C ATOM 99 CG LEU A 6 -3.394 9.343 -13.998 1.00 10.00 C ATOM 100 CD1 LEU A 6 -2.591 8.042 -14.103 1.00 10.00 C ATOM 101 CD2 LEU A 6 -4.393 9.194 -12.843 1.00 10.00 C ATOM 0 HA LEU A 6 -3.778 11.836 -12.809 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -1.762 10.570 -14.685 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -1.798 10.339 -12.949 1.00 10.00 H new ATOM 0 HG LEU A 6 -3.963 9.544 -14.906 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -3.274 7.202 -14.229 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -1.921 8.096 -14.961 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -2.006 7.901 -13.194 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -5.044 8.340 -13.033 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -3.851 9.037 -11.911 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -4.995 10.099 -12.764 1.00 10.00 H new ATOM 113 N THR A 7 -2.381 13.785 -12.267 1.00 10.00 N ATOM 114 CA THR A 7 -1.539 14.850 -11.717 1.00 10.00 C ATOM 115 C THR A 7 -0.866 14.393 -10.422 1.00 10.00 C ATOM 116 O THR A 7 -1.152 13.315 -9.900 1.00 10.00 O ATOM 117 CB THR A 7 -2.378 16.111 -11.419 1.00 10.00 C ATOM 118 OG1 THR A 7 -3.264 15.903 -10.335 1.00 10.00 O ATOM 119 CG2 THR A 7 -3.172 16.624 -12.620 1.00 10.00 C ATOM 0 H THR A 7 -3.262 13.685 -11.763 1.00 10.00 H new ATOM 0 HA THR A 7 -0.779 15.084 -12.462 1.00 10.00 H new ATOM 0 HB THR A 7 -1.645 16.875 -11.160 1.00 10.00 H new ATOM 0 HG1 THR A 7 -4.006 15.332 -10.624 1.00 10.00 H new ATOM 0 HG21 THR A 7 -3.735 17.511 -12.331 1.00 10.00 H new ATOM 0 HG22 THR A 7 -2.486 16.877 -13.429 1.00 10.00 H new ATOM 0 HG23 THR A 7 -3.862 15.850 -12.958 1.00 10.00 H new ATOM 127 N GLU A 8 -0.020 15.257 -9.852 1.00 10.00 N ATOM 128 CA GLU A 8 0.535 15.089 -8.505 1.00 10.00 C ATOM 129 C GLU A 8 -0.563 14.769 -7.476 1.00 10.00 C ATOM 130 O GLU A 8 -0.362 13.897 -6.638 1.00 10.00 O ATOM 131 CB GLU A 8 1.290 16.369 -8.110 1.00 10.00 C ATOM 132 CG GLU A 8 2.513 16.634 -9.003 1.00 10.00 C ATOM 133 CD GLU A 8 3.014 18.072 -8.846 1.00 10.00 C ATOM 134 OE1 GLU A 8 2.373 18.961 -9.453 1.00 10.00 O ATOM 135 OE2 GLU A 8 4.029 18.264 -8.141 1.00 10.00 O ATOM 0 H GLU A 8 0.303 16.104 -10.319 1.00 10.00 H new ATOM 0 HA GLU A 8 1.223 14.243 -8.513 1.00 10.00 H new ATOM 0 HB2 GLU A 8 0.611 17.220 -8.169 1.00 10.00 H new ATOM 0 HB3 GLU A 8 1.613 16.290 -7.072 1.00 10.00 H new ATOM 0 HG2 GLU A 8 3.312 15.938 -8.746 1.00 10.00 H new ATOM 0 HG3 GLU A 8 2.252 16.449 -10.045 1.00 10.00 H new ATOM 142 N GLY A 9 -1.752 15.379 -7.598 1.00 10.00 N ATOM 143 CA GLY A 9 -2.894 15.107 -6.723 1.00 10.00 C ATOM 144 C GLY A 9 -3.441 13.684 -6.861 1.00 10.00 C ATOM 145 O GLY A 9 -3.662 13.005 -5.862 1.00 10.00 O ATOM 0 H GLY A 9 -1.946 16.080 -8.313 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -2.597 15.275 -5.688 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -3.690 15.817 -6.946 1.00 10.00 H new ATOM 149 N ASP A 10 -3.631 13.208 -8.095 1.00 10.00 N ATOM 150 CA ASP A 10 -4.117 11.854 -8.374 1.00 10.00 C ATOM 151 C ASP A 10 -3.076 10.797 -7.946 1.00 10.00 C ATOM 152 O ASP A 10 -3.431 9.768 -7.369 1.00 10.00 O ATOM 153 CB ASP A 10 -4.475 11.724 -9.868 1.00 10.00 C ATOM 154 CG ASP A 10 -5.299 12.907 -10.406 1.00 10.00 C ATOM 155 OD1 ASP A 10 -4.649 13.947 -10.688 1.00 10.00 O ATOM 156 OD2 ASP A 10 -6.537 12.771 -10.552 1.00 10.00 O ATOM 0 H ASP A 10 -3.450 13.757 -8.936 1.00 10.00 H new ATOM 0 HA ASP A 10 -5.019 11.673 -7.789 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -3.556 11.638 -10.448 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -5.036 10.802 -10.020 1.00 10.00 H new ATOM 161 N LEU A 11 -1.783 11.077 -8.165 1.00 10.00 N ATOM 162 CA LEU A 11 -0.662 10.294 -7.636 1.00 10.00 C ATOM 163 C LEU A 11 -0.550 10.308 -6.101 1.00 10.00 C ATOM 164 O LEU A 11 -0.263 9.257 -5.520 1.00 10.00 O ATOM 165 CB LEU A 11 0.653 10.736 -8.309 1.00 10.00 C ATOM 166 CG LEU A 11 0.927 10.147 -9.711 1.00 10.00 C ATOM 167 CD1 LEU A 11 -0.224 10.147 -10.720 1.00 10.00 C ATOM 168 CD2 LEU A 11 2.121 10.865 -10.345 1.00 10.00 C ATOM 0 H LEU A 11 -1.483 11.873 -8.728 1.00 10.00 H new ATOM 0 HA LEU A 11 -0.864 9.253 -7.887 1.00 10.00 H new ATOM 0 HB2 LEU A 11 0.650 11.823 -8.387 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.482 10.466 -7.655 1.00 10.00 H new ATOM 0 HG LEU A 11 1.112 9.093 -9.505 1.00 10.00 H new ATOM 0 HD11 LEU A 11 0.114 9.705 -11.657 1.00 10.00 H new ATOM 0 HD12 LEU A 11 -1.056 9.565 -10.323 1.00 10.00 H new ATOM 0 HD13 LEU A 11 -0.551 11.171 -10.899 1.00 10.00 H new ATOM 0 HD21 LEU A 11 2.313 10.448 -11.334 1.00 10.00 H new ATOM 0 HD22 LEU A 11 1.900 11.928 -10.436 1.00 10.00 H new ATOM 0 HD23 LEU A 11 3.002 10.730 -9.717 1.00 10.00 H new ATOM 180 N ASP A 12 -0.802 11.441 -5.436 1.00 10.00 N ATOM 181 CA ASP A 12 -0.872 11.523 -3.973 1.00 10.00 C ATOM 182 C ASP A 12 -2.078 10.754 -3.419 1.00 10.00 C ATOM 183 O ASP A 12 -1.932 10.049 -2.418 1.00 10.00 O ATOM 184 CB ASP A 12 -0.930 12.990 -3.503 1.00 10.00 C ATOM 185 CG ASP A 12 0.414 13.729 -3.553 1.00 10.00 C ATOM 186 OD1 ASP A 12 1.464 13.048 -3.511 1.00 10.00 O ATOM 187 OD2 ASP A 12 0.370 14.980 -3.555 1.00 10.00 O ATOM 0 H ASP A 12 -0.964 12.334 -5.902 1.00 10.00 H new ATOM 0 HA ASP A 12 0.036 11.061 -3.585 1.00 10.00 H new ATOM 0 HB2 ASP A 12 -1.649 13.528 -4.121 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -1.306 13.016 -2.480 1.00 10.00 H new ATOM 192 N GLU A 13 -3.248 10.827 -4.070 1.00 10.00 N ATOM 193 CA GLU A 13 -4.430 10.039 -3.694 1.00 10.00 C ATOM 194 C GLU A 13 -4.181 8.533 -3.854 1.00 10.00 C ATOM 195 O GLU A 13 -4.479 7.765 -2.939 1.00 10.00 O ATOM 196 CB GLU A 13 -5.637 10.457 -4.554 1.00 10.00 C ATOM 197 CG GLU A 13 -6.279 11.784 -4.124 1.00 10.00 C ATOM 198 CD GLU A 13 -7.235 11.599 -2.939 1.00 10.00 C ATOM 199 OE1 GLU A 13 -6.735 11.287 -1.834 1.00 10.00 O ATOM 200 OE2 GLU A 13 -8.458 11.758 -3.154 1.00 10.00 O ATOM 0 H GLU A 13 -3.401 11.436 -4.874 1.00 10.00 H new ATOM 0 HA GLU A 13 -4.639 10.238 -2.643 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -5.319 10.539 -5.593 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -6.390 9.670 -4.512 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -5.498 12.494 -3.853 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -6.823 12.214 -4.965 1.00 10.00 H new ATOM 207 N ILE A 14 -3.562 8.100 -4.963 1.00 10.00 N ATOM 208 CA ILE A 14 -3.190 6.691 -5.168 1.00 10.00 C ATOM 209 C ILE A 14 -2.133 6.254 -4.145 1.00 10.00 C ATOM 210 O ILE A 14 -2.279 5.201 -3.528 1.00 10.00 O ATOM 211 CB ILE A 14 -2.732 6.468 -6.630 1.00 10.00 C ATOM 212 CG1 ILE A 14 -3.979 6.509 -7.547 1.00 10.00 C ATOM 213 CG2 ILE A 14 -1.979 5.134 -6.817 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.684 6.589 -9.050 1.00 10.00 C ATOM 0 H ILE A 14 -3.307 8.712 -5.738 1.00 10.00 H new ATOM 0 HA ILE A 14 -4.063 6.060 -5.003 1.00 10.00 H new ATOM 0 HB ILE A 14 -2.032 7.260 -6.894 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.578 5.618 -7.358 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.588 7.368 -7.267 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -1.680 5.028 -7.860 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.092 5.125 -6.183 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -2.632 4.306 -6.540 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.622 6.613 -9.604 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -3.115 7.494 -9.261 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -3.105 5.717 -9.354 1.00 10.00 H new ATOM 226 N SER A 15 -1.098 7.067 -3.918 1.00 10.00 N ATOM 227 CA SER A 15 -0.039 6.759 -2.948 1.00 10.00 C ATOM 228 C SER A 15 -0.594 6.678 -1.517 1.00 10.00 C ATOM 229 O SER A 15 -0.222 5.784 -0.753 1.00 10.00 O ATOM 230 CB SER A 15 1.104 7.778 -3.043 1.00 10.00 C ATOM 231 OG SER A 15 1.556 7.873 -4.381 1.00 10.00 O ATOM 0 H SER A 15 -0.969 7.957 -4.400 1.00 10.00 H new ATOM 0 HA SER A 15 0.364 5.777 -3.197 1.00 10.00 H new ATOM 0 HB2 SER A 15 0.763 8.753 -2.695 1.00 10.00 H new ATOM 0 HB3 SER A 15 1.926 7.477 -2.393 1.00 10.00 H new ATOM 0 HG SER A 15 1.103 8.619 -4.827 1.00 10.00 H new ATOM 237 N SER A 16 -1.547 7.559 -1.186 1.00 10.00 N ATOM 238 CA SER A 16 -2.285 7.548 0.079 1.00 10.00 C ATOM 239 C SER A 16 -3.185 6.317 0.194 1.00 10.00 C ATOM 240 O SER A 16 -3.178 5.661 1.233 1.00 10.00 O ATOM 241 CB SER A 16 -3.146 8.810 0.220 1.00 10.00 C ATOM 242 OG SER A 16 -2.357 9.972 0.081 1.00 10.00 O ATOM 0 H SER A 16 -1.831 8.317 -1.807 1.00 10.00 H new ATOM 0 HA SER A 16 -1.544 7.519 0.878 1.00 10.00 H new ATOM 0 HB2 SER A 16 -3.932 8.806 -0.535 1.00 10.00 H new ATOM 0 HB3 SER A 16 -3.638 8.813 1.192 1.00 10.00 H new ATOM 0 HG SER A 16 -2.354 10.255 -0.857 1.00 10.00 H new ATOM 248 N PHE A 17 -3.910 5.951 -0.873 1.00 10.00 N ATOM 249 CA PHE A 17 -4.729 4.736 -0.913 1.00 10.00 C ATOM 250 C PHE A 17 -3.883 3.473 -0.702 1.00 10.00 C ATOM 251 O PHE A 17 -4.280 2.585 0.059 1.00 10.00 O ATOM 252 CB PHE A 17 -5.492 4.693 -2.246 1.00 10.00 C ATOM 253 CG PHE A 17 -6.288 3.422 -2.469 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.511 3.234 -1.800 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.795 2.418 -3.326 1.00 10.00 C ATOM 256 CE1 PHE A 17 -8.240 2.047 -1.987 1.00 10.00 C ATOM 257 CE2 PHE A 17 -6.524 1.231 -3.513 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.748 1.047 -2.843 1.00 10.00 C ATOM 0 H PHE A 17 -3.943 6.494 -1.736 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.446 4.762 -0.092 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.170 5.545 -2.290 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.780 4.810 -3.063 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -7.890 4.002 -1.142 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -4.856 2.561 -3.840 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -9.179 1.903 -1.473 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -6.146 0.462 -4.170 1.00 10.00 H new ATOM 0 HZ PHE A 17 -8.310 0.136 -2.987 1.00 10.00 H new ATOM 268 N LEU A 18 -2.700 3.410 -1.323 1.00 10.00 N ATOM 269 CA LEU A 18 -1.742 2.325 -1.135 1.00 10.00 C ATOM 270 C LEU A 18 -1.218 2.271 0.308 1.00 10.00 C ATOM 271 O LEU A 18 -1.315 1.207 0.922 1.00 10.00 O ATOM 272 CB LEU A 18 -0.605 2.468 -2.161 1.00 10.00 C ATOM 273 CG LEU A 18 -1.042 2.163 -3.606 1.00 10.00 C ATOM 274 CD1 LEU A 18 0.055 2.580 -4.590 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.353 0.679 -3.808 1.00 10.00 C ATOM 0 H LEU A 18 -2.381 4.123 -1.979 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.246 1.373 -1.305 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.210 3.483 -2.115 1.00 10.00 H new ATOM 0 HB3 LEU A 18 0.209 1.797 -1.886 1.00 10.00 H new ATOM 0 HG LEU A 18 -1.952 2.734 -3.793 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -0.266 2.359 -5.608 1.00 10.00 H new ATOM 0 HD12 LEU A 18 0.244 3.649 -4.493 1.00 10.00 H new ATOM 0 HD13 LEU A 18 0.969 2.029 -4.370 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -1.657 0.508 -4.841 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -0.464 0.088 -3.589 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.160 0.382 -3.138 1.00 10.00 H new ATOM 287 N HIS A 19 -0.754 3.390 0.888 1.00 10.00 N ATOM 288 CA HIS A 19 -0.381 3.428 2.305 1.00 10.00 C ATOM 289 C HIS A 19 -1.522 2.975 3.216 1.00 10.00 C ATOM 290 O HIS A 19 -1.317 2.096 4.057 1.00 10.00 O ATOM 291 CB HIS A 19 0.040 4.854 2.703 1.00 10.00 C ATOM 292 CG HIS A 19 -0.032 5.080 4.200 1.00 10.00 C ATOM 293 ND1 HIS A 19 -1.019 5.796 4.853 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.632 4.368 5.160 1.00 10.00 C ATOM 295 CE1 HIS A 19 -0.907 5.555 6.167 1.00 10.00 C ATOM 296 NE2 HIS A 19 0.079 4.681 6.409 1.00 10.00 N ATOM 0 H HIS A 19 -0.630 4.275 0.397 1.00 10.00 H new ATOM 0 HA HIS A 19 0.452 2.736 2.433 1.00 10.00 H new ATOM 0 HB2 HIS A 19 1.057 5.039 2.359 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.603 5.574 2.198 1.00 10.00 H new ATOM 0 HD1 HIS A 19 -1.711 6.402 4.412 1.00 10.00 H new ATOM 0 HD2 HIS A 19 1.446 3.680 4.985 1.00 10.00 H new ATOM 0 HE1 HIS A 19 -1.528 6.005 6.928 1.00 10.00 H new ATOM 304 N ASN A 20 -2.719 3.536 3.026 1.00 10.00 N ATOM 305 CA ASN A 20 -3.862 3.244 3.885 1.00 10.00 C ATOM 306 C ASN A 20 -4.231 1.761 3.772 1.00 10.00 C ATOM 307 O ASN A 20 -4.480 1.127 4.790 1.00 10.00 O ATOM 308 CB ASN A 20 -5.033 4.179 3.531 1.00 10.00 C ATOM 309 CG ASN A 20 -4.766 5.655 3.823 1.00 10.00 C ATOM 310 OD1 ASN A 20 -3.719 6.073 4.304 1.00 10.00 O ATOM 311 ND2 ASN A 20 -5.732 6.505 3.538 1.00 10.00 N ATOM 0 H ASN A 20 -2.919 4.200 2.278 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.607 3.432 4.928 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -5.266 4.066 2.472 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -5.916 3.864 4.087 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -5.605 7.501 3.718 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -6.607 6.167 3.137 1.00 10.00 H new ATOM 318 N THR A 21 -4.148 1.180 2.567 1.00 10.00 N ATOM 319 CA THR A 21 -4.409 -0.246 2.340 1.00 10.00 C ATOM 320 C THR A 21 -3.437 -1.129 3.130 1.00 10.00 C ATOM 321 O THR A 21 -3.888 -2.042 3.818 1.00 10.00 O ATOM 322 CB THR A 21 -4.346 -0.587 0.839 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.256 0.209 0.115 1.00 10.00 O ATOM 324 CG2 THR A 21 -4.722 -2.044 0.564 1.00 10.00 C ATOM 0 H THR A 21 -3.897 1.689 1.720 1.00 10.00 H new ATOM 0 HA THR A 21 -5.417 -0.452 2.699 1.00 10.00 H new ATOM 0 HB THR A 21 -3.317 -0.404 0.529 1.00 10.00 H new ATOM 0 HG1 THR A 21 -4.787 0.984 -0.259 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.664 -2.239 -0.507 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.032 -2.703 1.091 1.00 10.00 H new ATOM 0 HG23 THR A 21 -5.738 -2.229 0.912 1.00 10.00 H new ATOM 332 N ILE A 22 -2.123 -0.847 3.094 1.00 10.00 N ATOM 333 CA ILE A 22 -1.134 -1.605 3.885 1.00 10.00 C ATOM 334 C ILE A 22 -1.359 -1.382 5.383 1.00 10.00 C ATOM 335 O ILE A 22 -1.406 -2.351 6.139 1.00 10.00 O ATOM 336 CB ILE A 22 0.313 -1.215 3.510 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.567 -1.440 2.016 1.00 10.00 C ATOM 338 CG2 ILE A 22 1.382 -2.006 4.295 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.990 -1.085 1.605 1.00 10.00 C ATOM 0 H ILE A 22 -1.720 -0.101 2.527 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.273 -2.661 3.654 1.00 10.00 H new ATOM 0 HB ILE A 22 0.404 -0.160 3.769 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.372 -2.484 1.771 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.135 -0.840 1.437 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.375 -1.683 3.983 1.00 10.00 H new ATOM 0 HG22 ILE A 22 1.259 -1.823 5.362 1.00 10.00 H new ATOM 0 HG23 ILE A 22 1.267 -3.071 4.094 1.00 10.00 H new ATOM 0 HD11 ILE A 22 2.115 -1.263 0.537 1.00 10.00 H new ATOM 0 HD12 ILE A 22 2.180 -0.034 1.822 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.694 -1.704 2.161 1.00 10.00 H new ATOM 351 N SER A 23 -1.510 -0.125 5.813 1.00 10.00 N ATOM 352 CA SER A 23 -1.680 0.225 7.226 1.00 10.00 C ATOM 353 C SER A 23 -2.944 -0.407 7.826 1.00 10.00 C ATOM 354 O SER A 23 -2.877 -1.006 8.901 1.00 10.00 O ATOM 355 CB SER A 23 -1.670 1.746 7.396 1.00 10.00 C ATOM 356 OG SER A 23 -0.328 2.171 7.272 1.00 10.00 O ATOM 0 H SER A 23 -1.518 0.681 5.188 1.00 10.00 H new ATOM 0 HA SER A 23 -0.838 -0.188 7.782 1.00 10.00 H new ATOM 0 HB2 SER A 23 -2.296 2.222 6.641 1.00 10.00 H new ATOM 0 HB3 SER A 23 -2.074 2.027 8.368 1.00 10.00 H new ATOM 0 HG SER A 23 -0.288 3.148 7.330 1.00 10.00 H new ATOM 362 N ASP A 24 -4.077 -0.357 7.113 1.00 10.00 N ATOM 363 CA ASP A 24 -5.313 -1.022 7.526 1.00 10.00 C ATOM 364 C ASP A 24 -5.189 -2.549 7.459 1.00 10.00 C ATOM 365 O ASP A 24 -5.658 -3.220 8.377 1.00 10.00 O ATOM 366 CB ASP A 24 -6.504 -0.547 6.673 1.00 10.00 C ATOM 367 CG ASP A 24 -6.924 0.904 6.950 1.00 10.00 C ATOM 368 OD1 ASP A 24 -6.812 1.327 8.124 1.00 10.00 O ATOM 369 OD2 ASP A 24 -7.413 1.557 6.001 1.00 10.00 O ATOM 0 H ASP A 24 -4.159 0.148 6.231 1.00 10.00 H new ATOM 0 HA ASP A 24 -5.493 -0.747 8.565 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.246 -0.646 5.619 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.355 -1.203 6.856 1.00 10.00 H new ATOM 374 N PHE A 25 -4.513 -3.118 6.447 1.00 10.00 N ATOM 375 CA PHE A 25 -4.243 -4.560 6.401 1.00 10.00 C ATOM 376 C PHE A 25 -3.414 -5.013 7.612 1.00 10.00 C ATOM 377 O PHE A 25 -3.758 -6.012 8.245 1.00 10.00 O ATOM 378 CB PHE A 25 -3.564 -4.946 5.078 1.00 10.00 C ATOM 379 CG PHE A 25 -3.394 -6.443 4.899 1.00 10.00 C ATOM 380 CD1 PHE A 25 -2.333 -7.119 5.531 1.00 10.00 C ATOM 381 CD2 PHE A 25 -4.306 -7.170 4.109 1.00 10.00 C ATOM 382 CE1 PHE A 25 -2.194 -8.508 5.386 1.00 10.00 C ATOM 383 CE2 PHE A 25 -4.181 -8.565 3.983 1.00 10.00 C ATOM 384 CZ PHE A 25 -3.131 -9.235 4.633 1.00 10.00 C ATOM 0 H PHE A 25 -4.144 -2.599 5.650 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.198 -5.082 6.450 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.153 -4.553 4.249 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.585 -4.469 5.028 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.624 -6.567 6.129 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -5.105 -6.654 3.598 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -1.365 -9.019 5.854 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -4.891 -9.120 3.388 1.00 10.00 H new ATOM 0 HZ PHE A 25 -3.044 -10.309 4.554 1.00 10.00 H new ATOM 394 N ILE A 26 -2.373 -4.254 7.982 1.00 10.00 N ATOM 395 CA ILE A 26 -1.560 -4.497 9.168 1.00 10.00 C ATOM 396 C ILE A 26 -2.442 -4.439 10.420 1.00 10.00 C ATOM 397 O ILE A 26 -2.477 -5.420 11.160 1.00 10.00 O ATOM 398 CB ILE A 26 -0.379 -3.497 9.174 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.713 -3.997 8.200 1.00 10.00 C ATOM 400 CG2 ILE A 26 0.178 -3.282 10.585 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.866 -3.008 7.979 1.00 10.00 C ATOM 0 H ILE A 26 -2.071 -3.438 7.449 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.125 -5.497 9.159 1.00 10.00 H new ATOM 0 HB ILE A 26 -0.738 -2.525 8.837 1.00 10.00 H new ATOM 0 HG12 ILE A 26 1.121 -4.933 8.581 1.00 10.00 H new ATOM 0 HG13 ILE A 26 0.251 -4.219 7.238 1.00 10.00 H new ATOM 0 HG21 ILE A 26 1.005 -2.573 10.546 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.607 -2.887 11.230 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.533 -4.232 10.985 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.586 -3.438 7.283 1.00 10.00 H new ATOM 0 HD12 ILE A 26 1.474 -2.078 7.567 1.00 10.00 H new ATOM 0 HD13 ILE A 26 2.358 -2.804 8.930 1.00 10.00 H new ATOM 413 N LEU A 27 -3.220 -3.363 10.613 1.00 10.00 N ATOM 414 CA LEU A 27 -4.145 -3.228 11.748 1.00 10.00 C ATOM 415 C LEU A 27 -5.237 -4.313 11.783 1.00 10.00 C ATOM 416 O LEU A 27 -5.736 -4.640 12.860 1.00 10.00 O ATOM 417 CB LEU A 27 -4.767 -1.814 11.746 1.00 10.00 C ATOM 418 CG LEU A 27 -4.090 -0.780 12.668 1.00 10.00 C ATOM 419 CD1 LEU A 27 -4.316 -1.116 14.147 1.00 10.00 C ATOM 420 CD2 LEU A 27 -2.587 -0.618 12.424 1.00 10.00 C ATOM 0 H LEU A 27 -3.225 -2.560 9.984 1.00 10.00 H new ATOM 0 HA LEU A 27 -3.560 -3.372 12.657 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -4.747 -1.431 10.726 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -5.815 -1.898 12.034 1.00 10.00 H new ATOM 0 HG LEU A 27 -4.567 0.167 12.418 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -3.826 -0.367 14.769 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -5.385 -1.121 14.360 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -3.898 -2.099 14.365 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -2.185 0.126 13.111 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -2.087 -1.572 12.589 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -2.418 -0.293 11.398 1.00 10.00 H new ATOM 432 N LYS A 28 -5.606 -4.889 10.630 1.00 10.00 N ATOM 433 CA LYS A 28 -6.531 -6.026 10.535 1.00 10.00 C ATOM 434 C LYS A 28 -5.871 -7.389 10.776 1.00 10.00 C ATOM 435 O LYS A 28 -6.600 -8.336 11.070 1.00 10.00 O ATOM 436 CB LYS A 28 -7.241 -6.011 9.166 1.00 10.00 C ATOM 437 CG LYS A 28 -8.277 -4.881 9.005 1.00 10.00 C ATOM 438 CD LYS A 28 -9.700 -5.252 9.455 1.00 10.00 C ATOM 439 CE LYS A 28 -9.780 -5.617 10.942 1.00 10.00 C ATOM 440 NZ LYS A 28 -11.175 -5.871 11.368 1.00 10.00 N ATOM 0 H LYS A 28 -5.264 -4.572 9.723 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.256 -5.899 11.339 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -6.491 -5.916 8.381 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -7.739 -6.969 9.017 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -7.943 -4.015 9.576 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -8.308 -4.580 7.958 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -10.369 -4.415 9.255 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -10.056 -6.093 8.860 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -9.174 -6.503 11.133 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -9.359 -4.808 11.539 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -11.190 -6.115 12.379 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -11.747 -5.017 11.209 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -11.569 -6.659 10.816 1.00 10.00 H new ATOM 454 N ARG A 29 -4.537 -7.501 10.692 1.00 10.00 N ATOM 455 CA ARG A 29 -3.790 -8.751 10.916 1.00 10.00 C ATOM 456 C ARG A 29 -3.078 -8.807 12.272 1.00 10.00 C ATOM 457 O ARG A 29 -2.965 -9.904 12.813 1.00 10.00 O ATOM 458 CB ARG A 29 -2.787 -8.974 9.767 1.00 10.00 C ATOM 459 CG ARG A 29 -3.393 -9.647 8.525 1.00 10.00 C ATOM 460 CD ARG A 29 -3.706 -11.147 8.692 1.00 10.00 C ATOM 461 NE ARG A 29 -2.566 -12.018 8.328 1.00 10.00 N ATOM 462 CZ ARG A 29 -1.993 -12.975 9.047 1.00 10.00 C ATOM 463 NH1 ARG A 29 -2.304 -13.267 10.286 1.00 10.00 N ATOM 464 NH2 ARG A 29 -1.024 -13.701 8.566 1.00 10.00 N ATOM 0 H ARG A 29 -3.934 -6.711 10.462 1.00 10.00 H new ATOM 0 HA ARG A 29 -4.524 -9.556 10.931 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -2.365 -8.012 9.476 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -1.963 -9.586 10.133 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -4.312 -9.126 8.258 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -2.704 -9.525 7.690 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -3.989 -11.341 9.727 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -4.565 -11.405 8.073 1.00 10.00 H new ATOM 0 HE ARG A 29 -2.168 -11.862 7.402 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -3.035 -12.742 10.766 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -1.815 -14.020 10.771 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -0.689 -13.540 7.616 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -0.600 -14.431 9.139 1.00 10.00 H new ATOM 478 N VAL A 30 -2.639 -7.671 12.831 1.00 10.00 N ATOM 479 CA VAL A 30 -1.978 -7.578 14.146 1.00 10.00 C ATOM 480 C VAL A 30 -2.398 -6.284 14.856 1.00 10.00 C ATOM 481 O VAL A 30 -2.574 -5.242 14.227 1.00 10.00 O ATOM 482 CB VAL A 30 -0.437 -7.615 14.013 1.00 10.00 C ATOM 483 CG1 VAL A 30 0.225 -7.722 15.393 1.00 10.00 C ATOM 484 CG2 VAL A 30 0.073 -8.794 13.179 1.00 10.00 C ATOM 0 H VAL A 30 -2.735 -6.766 12.371 1.00 10.00 H new ATOM 0 HA VAL A 30 -2.291 -8.441 14.734 1.00 10.00 H new ATOM 0 HB VAL A 30 -0.173 -6.685 13.510 1.00 10.00 H new ATOM 0 HG11 VAL A 30 1.308 -7.747 15.276 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -0.055 -6.860 15.999 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -0.107 -8.635 15.886 1.00 10.00 H new ATOM 0 HG21 VAL A 30 1.161 -8.759 13.127 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -0.238 -9.730 13.644 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -0.341 -8.734 12.172 1.00 10.00 H new ATOM 494 N SER A 31 -2.542 -6.335 16.185 1.00 10.00 N ATOM 495 CA SER A 31 -2.902 -5.162 16.980 1.00 10.00 C ATOM 496 C SER A 31 -1.739 -4.179 17.142 1.00 10.00 C ATOM 497 O SER A 31 -0.631 -4.559 17.517 1.00 10.00 O ATOM 498 CB SER A 31 -3.357 -5.590 18.378 1.00 10.00 C ATOM 499 OG SER A 31 -3.793 -4.450 19.099 1.00 10.00 O ATOM 0 H SER A 31 -2.413 -7.185 16.734 1.00 10.00 H new ATOM 0 HA SER A 31 -3.707 -4.662 16.441 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.165 -6.318 18.303 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.537 -6.077 18.906 1.00 10.00 H new ATOM 0 HG SER A 31 -4.086 -4.721 19.994 1.00 10.00 H new ATOM 505 N ALA A 32 -2.022 -2.880 16.989 1.00 10.00 N ATOM 506 CA ALA A 32 -1.115 -1.804 17.371 1.00 10.00 C ATOM 507 C ALA A 32 -0.609 -1.949 18.820 1.00 10.00 C ATOM 508 O ALA A 32 0.486 -1.490 19.123 1.00 10.00 O ATOM 509 CB ALA A 32 -1.806 -0.457 17.147 1.00 10.00 C ATOM 0 H ALA A 32 -2.900 -2.548 16.591 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.229 -1.861 16.739 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.131 0.350 17.432 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -2.071 -0.354 16.095 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -2.709 -0.406 17.755 1.00 10.00 H new ATOM 515 N LYS A 33 -1.357 -2.634 19.704 1.00 10.00 N ATOM 516 CA LYS A 33 -0.943 -2.922 21.084 1.00 10.00 C ATOM 517 C LYS A 33 0.277 -3.863 21.207 1.00 10.00 C ATOM 518 O LYS A 33 0.847 -3.952 22.291 1.00 10.00 O ATOM 519 CB LYS A 33 -2.165 -3.433 21.870 1.00 10.00 C ATOM 520 CG LYS A 33 -2.004 -3.194 23.378 1.00 10.00 C ATOM 521 CD LYS A 33 -3.245 -3.624 24.171 1.00 10.00 C ATOM 522 CE LYS A 33 -3.098 -3.271 25.657 1.00 10.00 C ATOM 523 NZ LYS A 33 -1.941 -3.959 26.282 1.00 10.00 N ATOM 0 H LYS A 33 -2.278 -3.007 19.474 1.00 10.00 H new ATOM 0 HA LYS A 33 -0.585 -1.990 21.521 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -3.064 -2.929 21.515 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -2.301 -4.498 21.682 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -1.135 -3.744 23.740 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -1.809 -2.137 23.557 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -4.129 -3.134 23.763 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -3.396 -4.698 24.062 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -2.979 -2.193 25.763 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -4.011 -3.544 26.186 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -1.967 -3.816 27.312 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -1.988 -4.977 26.073 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -1.056 -3.567 25.900 1.00 10.00 H new ATOM 537 N GLU A 34 0.710 -4.518 20.122 1.00 10.00 N ATOM 538 CA GLU A 34 1.964 -5.294 20.068 1.00 10.00 C ATOM 539 C GLU A 34 2.897 -4.841 18.926 1.00 10.00 C ATOM 540 O GLU A 34 3.918 -5.480 18.669 1.00 10.00 O ATOM 541 CB GLU A 34 1.666 -6.807 20.047 1.00 10.00 C ATOM 542 CG GLU A 34 1.055 -7.296 18.727 1.00 10.00 C ATOM 543 CD GLU A 34 0.638 -8.769 18.790 1.00 10.00 C ATOM 544 OE1 GLU A 34 1.545 -9.632 18.872 1.00 10.00 O ATOM 545 OE2 GLU A 34 -0.592 -9.002 18.741 1.00 10.00 O ATOM 0 H GLU A 34 0.194 -4.526 19.242 1.00 10.00 H new ATOM 0 HA GLU A 34 2.522 -5.088 20.981 1.00 10.00 H new ATOM 0 HB2 GLU A 34 2.591 -7.353 20.234 1.00 10.00 H new ATOM 0 HB3 GLU A 34 0.984 -7.046 20.863 1.00 10.00 H new ATOM 0 HG2 GLU A 34 0.186 -6.685 18.483 1.00 10.00 H new ATOM 0 HG3 GLU A 34 1.777 -7.159 17.922 1.00 10.00 H new ATOM 552 N ILE A 35 2.579 -3.717 18.267 1.00 10.00 N ATOM 553 CA ILE A 35 3.428 -3.070 17.261 1.00 10.00 C ATOM 554 C ILE A 35 4.104 -1.859 17.916 1.00 10.00 C ATOM 555 O ILE A 35 3.442 -0.992 18.480 1.00 10.00 O ATOM 556 CB ILE A 35 2.573 -2.675 16.035 1.00 10.00 C ATOM 557 CG1 ILE A 35 2.026 -3.932 15.317 1.00 10.00 C ATOM 558 CG2 ILE A 35 3.337 -1.789 15.038 1.00 10.00 C ATOM 559 CD1 ILE A 35 0.941 -3.635 14.275 1.00 10.00 C ATOM 0 H ILE A 35 1.701 -3.222 18.424 1.00 10.00 H new ATOM 0 HA ILE A 35 4.203 -3.747 16.902 1.00 10.00 H new ATOM 0 HB ILE A 35 1.739 -2.087 16.418 1.00 10.00 H new ATOM 0 HG12 ILE A 35 2.853 -4.447 14.828 1.00 10.00 H new ATOM 0 HG13 ILE A 35 1.621 -4.616 16.063 1.00 10.00 H new ATOM 0 HG21 ILE A 35 2.687 -1.543 14.198 1.00 10.00 H new ATOM 0 HG22 ILE A 35 3.652 -0.871 15.534 1.00 10.00 H new ATOM 0 HG23 ILE A 35 4.214 -2.324 14.674 1.00 10.00 H new ATOM 0 HD11 ILE A 35 0.611 -4.568 13.818 1.00 10.00 H new ATOM 0 HD12 ILE A 35 0.094 -3.149 14.760 1.00 10.00 H new ATOM 0 HD13 ILE A 35 1.346 -2.977 13.506 1.00 10.00 H new ATOM 571 N VAL A 36 5.433 -1.794 17.823 1.00 10.00 N ATOM 572 CA VAL A 36 6.235 -0.632 18.219 1.00 10.00 C ATOM 573 C VAL A 36 6.013 0.514 17.230 1.00 10.00 C ATOM 574 O VAL A 36 5.678 1.618 17.653 1.00 10.00 O ATOM 575 CB VAL A 36 7.728 -1.026 18.297 1.00 10.00 C ATOM 576 CG1 VAL A 36 8.650 0.187 18.456 1.00 10.00 C ATOM 577 CG2 VAL A 36 7.972 -1.992 19.462 1.00 10.00 C ATOM 0 H VAL A 36 5.996 -2.564 17.462 1.00 10.00 H new ATOM 0 HA VAL A 36 5.923 -0.292 19.206 1.00 10.00 H new ATOM 0 HB VAL A 36 7.966 -1.511 17.350 1.00 10.00 H new ATOM 0 HG11 VAL A 36 9.686 -0.148 18.506 1.00 10.00 H new ATOM 0 HG12 VAL A 36 8.524 0.854 17.603 1.00 10.00 H new ATOM 0 HG13 VAL A 36 8.396 0.719 19.373 1.00 10.00 H new ATOM 0 HG21 VAL A 36 9.029 -2.257 19.500 1.00 10.00 H new ATOM 0 HG22 VAL A 36 7.684 -1.513 20.398 1.00 10.00 H new ATOM 0 HG23 VAL A 36 7.377 -2.894 19.318 1.00 10.00 H new ATOM 587 N ASP A 37 6.185 0.250 15.927 1.00 10.00 N ATOM 588 CA ASP A 37 5.978 1.234 14.855 1.00 10.00 C ATOM 589 C ASP A 37 5.865 0.571 13.462 1.00 10.00 C ATOM 590 O ASP A 37 6.044 -0.644 13.321 1.00 10.00 O ATOM 591 CB ASP A 37 7.113 2.287 14.876 1.00 10.00 C ATOM 592 CG ASP A 37 6.632 3.690 14.481 1.00 10.00 C ATOM 593 OD1 ASP A 37 5.620 3.770 13.746 1.00 10.00 O ATOM 594 OD2 ASP A 37 7.279 4.664 14.924 1.00 10.00 O ATOM 0 H ASP A 37 6.476 -0.665 15.583 1.00 10.00 H new ATOM 0 HA ASP A 37 5.026 1.731 15.042 1.00 10.00 H new ATOM 0 HB2 ASP A 37 7.548 2.325 15.875 1.00 10.00 H new ATOM 0 HB3 ASP A 37 7.905 1.974 14.195 1.00 10.00 H new ATOM 599 N ILE A 38 5.616 1.376 12.420 1.00 10.00 N ATOM 600 CA ILE A 38 5.664 0.981 11.001 1.00 10.00 C ATOM 601 C ILE A 38 6.349 2.053 10.137 1.00 10.00 C ATOM 602 O ILE A 38 6.137 3.247 10.329 1.00 10.00 O ATOM 603 CB ILE A 38 4.254 0.665 10.431 1.00 10.00 C ATOM 604 CG1 ILE A 38 3.242 1.827 10.594 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.704 -0.637 11.028 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.845 1.533 10.030 1.00 10.00 C ATOM 0 H ILE A 38 5.366 2.357 12.544 1.00 10.00 H new ATOM 0 HA ILE A 38 6.257 0.068 10.960 1.00 10.00 H new ATOM 0 HB ILE A 38 4.384 0.534 9.357 1.00 10.00 H new ATOM 0 HG12 ILE A 38 3.150 2.067 11.653 1.00 10.00 H new ATOM 0 HG13 ILE A 38 3.641 2.713 10.100 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.716 -0.838 10.614 1.00 10.00 H new ATOM 0 HG22 ILE A 38 4.374 -1.461 10.783 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.631 -0.538 12.111 1.00 10.00 H new ATOM 0 HD11 ILE A 38 1.200 2.398 10.186 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.920 1.324 8.963 1.00 10.00 H new ATOM 0 HD13 ILE A 38 1.421 0.668 10.540 1.00 10.00 H new ATOM 618 N ASP A 39 7.114 1.610 9.138 1.00 10.00 N ATOM 619 CA ASP A 39 7.657 2.443 8.063 1.00 10.00 C ATOM 620 C ASP A 39 7.011 2.017 6.747 1.00 10.00 C ATOM 621 O ASP A 39 7.165 0.873 6.329 1.00 10.00 O ATOM 622 CB ASP A 39 9.184 2.289 7.926 1.00 10.00 C ATOM 623 CG ASP A 39 10.015 3.087 8.927 1.00 10.00 C ATOM 624 OD1 ASP A 39 9.681 4.272 9.144 1.00 10.00 O ATOM 625 OD2 ASP A 39 11.029 2.521 9.402 1.00 10.00 O ATOM 0 H ASP A 39 7.382 0.630 9.052 1.00 10.00 H new ATOM 0 HA ASP A 39 7.440 3.484 8.301 1.00 10.00 H new ATOM 0 HB2 ASP A 39 9.436 1.234 8.030 1.00 10.00 H new ATOM 0 HB3 ASP A 39 9.473 2.589 6.919 1.00 10.00 H new ATOM 630 N ILE A 40 6.287 2.922 6.079 1.00 10.00 N ATOM 631 CA ILE A 40 5.699 2.668 4.758 1.00 10.00 C ATOM 632 C ILE A 40 6.043 3.838 3.844 1.00 10.00 C ATOM 633 O ILE A 40 5.714 4.987 4.129 1.00 10.00 O ATOM 634 CB ILE A 40 4.181 2.378 4.835 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.938 0.991 5.469 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.559 2.378 3.423 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.519 0.763 5.975 1.00 10.00 C ATOM 0 H ILE A 40 6.091 3.855 6.441 1.00 10.00 H new ATOM 0 HA ILE A 40 6.127 1.759 4.336 1.00 10.00 H new ATOM 0 HB ILE A 40 3.720 3.157 5.443 1.00 10.00 H new ATOM 0 HG12 ILE A 40 4.174 0.223 4.732 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.631 0.860 6.300 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.491 2.172 3.496 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.710 3.353 2.959 1.00 10.00 H new ATOM 0 HG23 ILE A 40 4.036 1.609 2.815 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.442 -0.236 6.403 1.00 10.00 H new ATOM 0 HD12 ILE A 40 2.281 1.504 6.738 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.818 0.858 5.146 1.00 10.00 H new ATOM 649 N THR A 41 6.715 3.514 2.742 1.00 10.00 N ATOM 650 CA THR A 41 7.107 4.426 1.673 1.00 10.00 C ATOM 651 C THR A 41 6.461 3.954 0.374 1.00 10.00 C ATOM 652 O THR A 41 6.729 2.845 -0.090 1.00 10.00 O ATOM 653 CB THR A 41 8.638 4.462 1.558 1.00 10.00 C ATOM 654 OG1 THR A 41 9.170 5.008 2.743 1.00 10.00 O ATOM 655 CG2 THR A 41 9.138 5.325 0.400 1.00 10.00 C ATOM 0 H THR A 41 7.016 2.556 2.562 1.00 10.00 H new ATOM 0 HA THR A 41 6.768 5.439 1.888 1.00 10.00 H new ATOM 0 HB THR A 41 8.961 3.436 1.383 1.00 10.00 H new ATOM 0 HG1 THR A 41 10.148 5.034 2.681 1.00 10.00 H new ATOM 0 HG21 THR A 41 10.228 5.306 0.376 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.748 4.934 -0.540 1.00 10.00 H new ATOM 0 HG23 THR A 41 8.796 6.351 0.536 1.00 10.00 H new ATOM 663 N VAL A 42 5.620 4.811 -0.216 1.00 10.00 N ATOM 664 CA VAL A 42 5.031 4.599 -1.540 1.00 10.00 C ATOM 665 C VAL A 42 5.552 5.692 -2.466 1.00 10.00 C ATOM 666 O VAL A 42 5.358 6.875 -2.197 1.00 10.00 O ATOM 667 CB VAL A 42 3.491 4.583 -1.495 1.00 10.00 C ATOM 668 CG1 VAL A 42 2.932 4.307 -2.898 1.00 10.00 C ATOM 669 CG2 VAL A 42 2.962 3.500 -0.544 1.00 10.00 C ATOM 0 H VAL A 42 5.326 5.684 0.221 1.00 10.00 H new ATOM 0 HA VAL A 42 5.325 3.619 -1.915 1.00 10.00 H new ATOM 0 HB VAL A 42 3.167 5.559 -1.134 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.843 4.297 -2.860 1.00 10.00 H new ATOM 0 HG12 VAL A 42 3.264 5.088 -3.582 1.00 10.00 H new ATOM 0 HG13 VAL A 42 3.292 3.340 -3.249 1.00 10.00 H new ATOM 0 HG21 VAL A 42 1.872 3.520 -0.540 1.00 10.00 H new ATOM 0 HG22 VAL A 42 3.305 2.522 -0.880 1.00 10.00 H new ATOM 0 HG23 VAL A 42 3.332 3.688 0.464 1.00 10.00 H new ATOM 679 N LEU A 43 6.224 5.281 -3.541 1.00 10.00 N ATOM 680 CA LEU A 43 6.789 6.152 -4.570 1.00 10.00 C ATOM 681 C LEU A 43 6.123 5.844 -5.913 1.00 10.00 C ATOM 682 O LEU A 43 5.893 4.684 -6.241 1.00 10.00 O ATOM 683 CB LEU A 43 8.324 5.986 -4.620 1.00 10.00 C ATOM 684 CG LEU A 43 9.101 7.226 -4.133 1.00 10.00 C ATOM 685 CD1 LEU A 43 8.829 7.568 -2.666 1.00 10.00 C ATOM 686 CD2 LEU A 43 10.604 6.986 -4.293 1.00 10.00 C ATOM 0 H LEU A 43 6.396 4.293 -3.726 1.00 10.00 H new ATOM 0 HA LEU A 43 6.590 7.197 -4.332 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.607 5.129 -4.010 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.622 5.761 -5.644 1.00 10.00 H new ATOM 0 HG LEU A 43 8.760 8.062 -4.743 1.00 10.00 H new ATOM 0 HD11 LEU A 43 9.405 8.450 -2.385 1.00 10.00 H new ATOM 0 HD12 LEU A 43 7.767 7.771 -2.531 1.00 10.00 H new ATOM 0 HD13 LEU A 43 9.121 6.728 -2.036 1.00 10.00 H new ATOM 0 HD21 LEU A 43 11.151 7.863 -3.948 1.00 10.00 H new ATOM 0 HD22 LEU A 43 10.899 6.119 -3.702 1.00 10.00 H new ATOM 0 HD23 LEU A 43 10.834 6.804 -5.343 1.00 10.00 H new ATOM 698 N VAL A 44 5.815 6.875 -6.698 1.00 10.00 N ATOM 699 CA VAL A 44 5.215 6.740 -8.030 1.00 10.00 C ATOM 700 C VAL A 44 5.956 7.663 -8.998 1.00 10.00 C ATOM 701 O VAL A 44 6.317 8.785 -8.645 1.00 10.00 O ATOM 702 CB VAL A 44 3.687 6.942 -7.961 1.00 10.00 C ATOM 703 CG1 VAL A 44 3.256 8.258 -7.302 1.00 10.00 C ATOM 704 CG2 VAL A 44 3.036 6.816 -9.343 1.00 10.00 C ATOM 0 H VAL A 44 5.977 7.844 -6.425 1.00 10.00 H new ATOM 0 HA VAL A 44 5.333 5.729 -8.421 1.00 10.00 H new ATOM 0 HB VAL A 44 3.332 6.138 -7.317 1.00 10.00 H new ATOM 0 HG11 VAL A 44 2.168 8.321 -7.294 1.00 10.00 H new ATOM 0 HG12 VAL A 44 3.629 8.292 -6.278 1.00 10.00 H new ATOM 0 HG13 VAL A 44 3.664 9.098 -7.865 1.00 10.00 H new ATOM 0 HG21 VAL A 44 1.960 6.964 -9.253 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.452 7.570 -10.011 1.00 10.00 H new ATOM 0 HG23 VAL A 44 3.233 5.824 -9.749 1.00 10.00 H new ATOM 714 N GLU A 45 6.224 7.159 -10.204 1.00 10.00 N ATOM 715 CA GLU A 45 7.145 7.757 -11.173 1.00 10.00 C ATOM 716 C GLU A 45 6.646 7.523 -12.613 1.00 10.00 C ATOM 717 O GLU A 45 5.890 6.581 -12.874 1.00 10.00 O ATOM 718 CB GLU A 45 8.532 7.104 -10.940 1.00 10.00 C ATOM 719 CG GLU A 45 9.726 8.060 -11.058 1.00 10.00 C ATOM 720 CD GLU A 45 9.881 8.589 -12.480 1.00 10.00 C ATOM 721 OE1 GLU A 45 10.447 7.856 -13.322 1.00 10.00 O ATOM 722 OE2 GLU A 45 9.329 9.679 -12.745 1.00 10.00 O ATOM 0 H GLU A 45 5.794 6.299 -10.543 1.00 10.00 H new ATOM 0 HA GLU A 45 7.209 8.837 -11.039 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.543 6.654 -9.947 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.661 6.295 -11.659 1.00 10.00 H new ATOM 0 HG2 GLU A 45 9.594 8.895 -10.370 1.00 10.00 H new ATOM 0 HG3 GLU A 45 10.638 7.543 -10.760 1.00 10.00 H new ATOM 729 N TYR A 46 7.081 8.357 -13.565 1.00 10.00 N ATOM 730 CA TYR A 46 6.764 8.182 -14.978 1.00 10.00 C ATOM 731 C TYR A 46 7.922 8.709 -15.847 1.00 10.00 C ATOM 732 O TYR A 46 8.021 9.906 -16.121 1.00 10.00 O ATOM 733 CB TYR A 46 5.424 8.880 -15.276 1.00 10.00 C ATOM 734 CG TYR A 46 4.721 8.400 -16.534 1.00 10.00 C ATOM 735 CD1 TYR A 46 5.299 8.561 -17.810 1.00 10.00 C ATOM 736 CD2 TYR A 46 3.468 7.768 -16.410 1.00 10.00 C ATOM 737 CE1 TYR A 46 4.638 8.064 -18.950 1.00 10.00 C ATOM 738 CE2 TYR A 46 2.794 7.288 -17.546 1.00 10.00 C ATOM 739 CZ TYR A 46 3.386 7.426 -18.821 1.00 10.00 C ATOM 740 OH TYR A 46 2.747 6.955 -19.925 1.00 10.00 O ATOM 0 H TYR A 46 7.663 9.172 -13.372 1.00 10.00 H new ATOM 0 HA TYR A 46 6.650 7.126 -15.222 1.00 10.00 H new ATOM 0 HB2 TYR A 46 4.757 8.734 -14.426 1.00 10.00 H new ATOM 0 HB3 TYR A 46 5.600 9.952 -15.362 1.00 10.00 H new ATOM 0 HD1 TYR A 46 6.248 9.065 -17.913 1.00 10.00 H new ATOM 0 HD2 TYR A 46 3.022 7.651 -15.434 1.00 10.00 H new ATOM 0 HE1 TYR A 46 5.090 8.171 -19.925 1.00 10.00 H new ATOM 0 HE2 TYR A 46 1.828 6.816 -17.445 1.00 10.00 H new ATOM 0 HH TYR A 46 1.898 6.543 -19.661 1.00 10.00 H new ATOM 750 N THR A 47 8.774 7.801 -16.330 1.00 10.00 N ATOM 751 CA THR A 47 9.952 8.099 -17.165 1.00 10.00 C ATOM 752 C THR A 47 9.949 7.181 -18.386 1.00 10.00 C ATOM 753 O THR A 47 10.590 6.133 -18.399 1.00 10.00 O ATOM 754 CB THR A 47 11.280 8.030 -16.380 1.00 10.00 C ATOM 755 OG1 THR A 47 11.296 7.019 -15.395 1.00 10.00 O ATOM 756 CG2 THR A 47 11.611 9.373 -15.728 1.00 10.00 C ATOM 0 H THR A 47 8.664 6.804 -16.147 1.00 10.00 H new ATOM 0 HA THR A 47 9.880 9.133 -17.501 1.00 10.00 H new ATOM 0 HB THR A 47 12.040 7.781 -17.121 1.00 10.00 H new ATOM 0 HG1 THR A 47 10.619 7.215 -14.714 1.00 10.00 H new ATOM 0 HG21 THR A 47 12.551 9.291 -15.183 1.00 10.00 H new ATOM 0 HG22 THR A 47 11.704 10.138 -16.498 1.00 10.00 H new ATOM 0 HG23 THR A 47 10.814 9.648 -15.037 1.00 10.00 H new ATOM 764 N ASP A 48 9.152 7.559 -19.395 1.00 10.00 N ATOM 765 CA ASP A 48 8.772 6.769 -20.587 1.00 10.00 C ATOM 766 C ASP A 48 7.928 5.519 -20.250 1.00 10.00 C ATOM 767 O ASP A 48 6.970 5.206 -20.953 1.00 10.00 O ATOM 768 CB ASP A 48 10.006 6.458 -21.454 1.00 10.00 C ATOM 769 CG ASP A 48 9.629 6.139 -22.903 1.00 10.00 C ATOM 770 OD1 ASP A 48 9.044 7.040 -23.546 1.00 10.00 O ATOM 771 OD2 ASP A 48 9.963 5.024 -23.360 1.00 10.00 O ATOM 0 H ASP A 48 8.724 8.485 -19.406 1.00 10.00 H new ATOM 0 HA ASP A 48 8.106 7.389 -21.186 1.00 10.00 H new ATOM 0 HB2 ASP A 48 10.685 7.311 -21.436 1.00 10.00 H new ATOM 0 HB3 ASP A 48 10.545 5.613 -21.026 1.00 10.00 H new ATOM 776 N GLU A 49 8.208 4.876 -19.114 1.00 10.00 N ATOM 777 CA GLU A 49 7.401 3.839 -18.479 1.00 10.00 C ATOM 778 C GLU A 49 6.745 4.420 -17.211 1.00 10.00 C ATOM 779 O GLU A 49 7.333 5.262 -16.527 1.00 10.00 O ATOM 780 CB GLU A 49 8.316 2.655 -18.113 1.00 10.00 C ATOM 781 CG GLU A 49 7.544 1.351 -17.847 1.00 10.00 C ATOM 782 CD GLU A 49 8.358 0.315 -17.063 1.00 10.00 C ATOM 783 OE1 GLU A 49 9.602 0.429 -16.937 1.00 10.00 O ATOM 784 OE2 GLU A 49 7.731 -0.601 -16.484 1.00 10.00 O ATOM 0 H GLU A 49 9.055 5.080 -18.584 1.00 10.00 H new ATOM 0 HA GLU A 49 6.620 3.494 -19.156 1.00 10.00 H new ATOM 0 HB2 GLU A 49 9.027 2.490 -18.923 1.00 10.00 H new ATOM 0 HB3 GLU A 49 8.896 2.913 -17.227 1.00 10.00 H new ATOM 0 HG2 GLU A 49 6.634 1.582 -17.294 1.00 10.00 H new ATOM 0 HG3 GLU A 49 7.237 0.918 -18.799 1.00 10.00 H new ATOM 791 N LEU A 50 5.558 3.916 -16.855 1.00 10.00 N ATOM 792 CA LEU A 50 4.871 4.220 -15.597 1.00 10.00 C ATOM 793 C LEU A 50 5.414 3.263 -14.528 1.00 10.00 C ATOM 794 O LEU A 50 5.394 2.047 -14.726 1.00 10.00 O ATOM 795 CB LEU A 50 3.360 4.009 -15.834 1.00 10.00 C ATOM 796 CG LEU A 50 2.389 4.483 -14.729 1.00 10.00 C ATOM 797 CD1 LEU A 50 0.953 4.319 -15.245 1.00 10.00 C ATOM 798 CD2 LEU A 50 2.485 3.713 -13.407 1.00 10.00 C ATOM 0 H LEU A 50 5.037 3.270 -17.448 1.00 10.00 H new ATOM 0 HA LEU A 50 5.036 5.244 -15.263 1.00 10.00 H new ATOM 0 HB2 LEU A 50 3.091 4.519 -16.759 1.00 10.00 H new ATOM 0 HB3 LEU A 50 3.191 2.944 -15.996 1.00 10.00 H new ATOM 0 HG LEU A 50 2.665 5.516 -14.516 1.00 10.00 H new ATOM 0 HD11 LEU A 50 0.251 4.648 -14.479 1.00 10.00 H new ATOM 0 HD12 LEU A 50 0.818 4.921 -16.144 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.768 3.271 -15.480 1.00 10.00 H new ATOM 0 HD21 LEU A 50 1.765 4.119 -12.696 1.00 10.00 H new ATOM 0 HD22 LEU A 50 2.267 2.660 -13.583 1.00 10.00 H new ATOM 0 HD23 LEU A 50 3.492 3.812 -13.001 1.00 10.00 H new ATOM 810 N LYS A 51 5.869 3.796 -13.388 1.00 10.00 N ATOM 811 CA LYS A 51 6.445 2.998 -12.303 1.00 10.00 C ATOM 812 C LYS A 51 5.810 3.345 -10.956 1.00 10.00 C ATOM 813 O LYS A 51 5.466 4.494 -10.685 1.00 10.00 O ATOM 814 CB LYS A 51 7.976 3.201 -12.276 1.00 10.00 C ATOM 815 CG LYS A 51 8.754 1.878 -12.189 1.00 10.00 C ATOM 816 CD LYS A 51 8.748 1.105 -13.518 1.00 10.00 C ATOM 817 CE LYS A 51 9.573 -0.179 -13.385 1.00 10.00 C ATOM 818 NZ LYS A 51 9.633 -0.909 -14.671 1.00 10.00 N ATOM 0 H LYS A 51 5.847 4.797 -13.193 1.00 10.00 H new ATOM 0 HA LYS A 51 6.232 1.945 -12.487 1.00 10.00 H new ATOM 0 HB2 LYS A 51 8.282 3.738 -13.174 1.00 10.00 H new ATOM 0 HB3 LYS A 51 8.239 3.828 -11.424 1.00 10.00 H new ATOM 0 HG2 LYS A 51 9.784 2.084 -11.896 1.00 10.00 H new ATOM 0 HG3 LYS A 51 8.319 1.255 -11.408 1.00 10.00 H new ATOM 0 HD2 LYS A 51 7.724 0.861 -13.801 1.00 10.00 H new ATOM 0 HD3 LYS A 51 9.158 1.729 -14.312 1.00 10.00 H new ATOM 0 HE2 LYS A 51 10.582 0.066 -13.055 1.00 10.00 H new ATOM 0 HE3 LYS A 51 9.134 -0.819 -12.620 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 10.110 -1.822 -14.530 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 8.668 -1.073 -15.023 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 10.163 -0.345 -15.366 1.00 10.00 H new ATOM 832 N VAL A 52 5.696 2.335 -10.096 1.00 10.00 N ATOM 833 CA VAL A 52 5.326 2.477 -8.688 1.00 10.00 C ATOM 834 C VAL A 52 6.252 1.584 -7.864 1.00 10.00 C ATOM 835 O VAL A 52 6.644 0.507 -8.313 1.00 10.00 O ATOM 836 CB VAL A 52 3.820 2.192 -8.464 1.00 10.00 C ATOM 837 CG1 VAL A 52 3.416 0.739 -8.751 1.00 10.00 C ATOM 838 CG2 VAL A 52 3.353 2.557 -7.047 1.00 10.00 C ATOM 0 H VAL A 52 5.863 1.366 -10.367 1.00 10.00 H new ATOM 0 HA VAL A 52 5.461 3.507 -8.357 1.00 10.00 H new ATOM 0 HB VAL A 52 3.323 2.836 -9.189 1.00 10.00 H new ATOM 0 HG11 VAL A 52 2.348 0.616 -8.572 1.00 10.00 H new ATOM 0 HG12 VAL A 52 3.640 0.498 -9.790 1.00 10.00 H new ATOM 0 HG13 VAL A 52 3.973 0.070 -8.095 1.00 10.00 H new ATOM 0 HG21 VAL A 52 2.290 2.337 -6.946 1.00 10.00 H new ATOM 0 HG22 VAL A 52 3.915 1.974 -6.317 1.00 10.00 H new ATOM 0 HG23 VAL A 52 3.522 3.619 -6.871 1.00 10.00 H new ATOM 848 N ASP A 53 6.585 2.043 -6.663 1.00 10.00 N ATOM 849 CA ASP A 53 7.374 1.338 -5.668 1.00 10.00 C ATOM 850 C ASP A 53 6.630 1.404 -4.335 1.00 10.00 C ATOM 851 O ASP A 53 6.092 2.447 -3.952 1.00 10.00 O ATOM 852 CB ASP A 53 8.773 1.962 -5.560 1.00 10.00 C ATOM 853 CG ASP A 53 9.605 1.302 -4.455 1.00 10.00 C ATOM 854 OD1 ASP A 53 9.478 0.064 -4.309 1.00 10.00 O ATOM 855 OD2 ASP A 53 10.333 2.043 -3.761 1.00 10.00 O ATOM 0 H ASP A 53 6.295 2.967 -6.343 1.00 10.00 H new ATOM 0 HA ASP A 53 7.507 0.295 -5.955 1.00 10.00 H new ATOM 0 HB2 ASP A 53 9.291 1.862 -6.514 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.681 3.029 -5.358 1.00 10.00 H new ATOM 860 N ILE A 54 6.593 0.264 -3.648 1.00 10.00 N ATOM 861 CA ILE A 54 5.942 0.096 -2.358 1.00 10.00 C ATOM 862 C ILE A 54 6.924 -0.627 -1.442 1.00 10.00 C ATOM 863 O ILE A 54 7.172 -1.822 -1.610 1.00 10.00 O ATOM 864 CB ILE A 54 4.606 -0.669 -2.492 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.644 -0.025 -3.516 1.00 10.00 C ATOM 866 CG2 ILE A 54 3.934 -0.730 -1.115 1.00 10.00 C ATOM 867 CD1 ILE A 54 2.251 -0.671 -3.547 1.00 10.00 C ATOM 0 H ILE A 54 7.030 -0.593 -3.988 1.00 10.00 H new ATOM 0 HA ILE A 54 5.684 1.066 -1.934 1.00 10.00 H new ATOM 0 HB ILE A 54 4.831 -1.669 -2.862 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.538 1.035 -3.285 1.00 10.00 H new ATOM 0 HG13 ILE A 54 4.088 -0.092 -4.509 1.00 10.00 H new ATOM 0 HG21 ILE A 54 2.989 -1.268 -1.195 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.588 -1.248 -0.414 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.746 0.282 -0.757 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.632 -0.166 -4.289 1.00 10.00 H new ATOM 0 HD12 ILE A 54 2.344 -1.725 -3.809 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.786 -0.581 -2.565 1.00 10.00 H new ATOM 879 N SER A 55 7.439 0.094 -0.446 1.00 10.00 N ATOM 880 CA SER A 55 8.319 -0.453 0.579 1.00 10.00 C ATOM 881 C SER A 55 7.636 -0.298 1.934 1.00 10.00 C ATOM 882 O SER A 55 7.272 0.812 2.323 1.00 10.00 O ATOM 883 CB SER A 55 9.661 0.277 0.535 1.00 10.00 C ATOM 884 OG SER A 55 10.535 -0.284 1.492 1.00 10.00 O ATOM 0 H SER A 55 7.252 1.090 -0.330 1.00 10.00 H new ATOM 0 HA SER A 55 8.511 -1.512 0.406 1.00 10.00 H new ATOM 0 HB2 SER A 55 10.097 0.199 -0.461 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.516 1.338 0.737 1.00 10.00 H new ATOM 0 HG SER A 55 11.396 0.183 1.462 1.00 10.00 H new ATOM 890 N ALA A 56 7.434 -1.415 2.636 1.00 10.00 N ATOM 891 CA ALA A 56 6.813 -1.450 3.953 1.00 10.00 C ATOM 892 C ALA A 56 7.659 -2.291 4.911 1.00 10.00 C ATOM 893 O ALA A 56 8.122 -3.372 4.546 1.00 10.00 O ATOM 894 CB ALA A 56 5.382 -1.992 3.830 1.00 10.00 C ATOM 0 H ALA A 56 7.705 -2.337 2.294 1.00 10.00 H new ATOM 0 HA ALA A 56 6.759 -0.442 4.364 1.00 10.00 H new ATOM 0 HB1 ALA A 56 4.917 -2.018 4.815 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.803 -1.344 3.173 1.00 10.00 H new ATOM 0 HB3 ALA A 56 5.409 -2.999 3.414 1.00 10.00 H new ATOM 900 N GLU A 57 7.808 -1.812 6.145 1.00 10.00 N ATOM 901 CA GLU A 57 8.445 -2.527 7.245 1.00 10.00 C ATOM 902 C GLU A 57 7.674 -2.272 8.547 1.00 10.00 C ATOM 903 O GLU A 57 7.129 -1.190 8.776 1.00 10.00 O ATOM 904 CB GLU A 57 9.929 -2.123 7.352 1.00 10.00 C ATOM 905 CG GLU A 57 10.719 -2.869 8.443 1.00 10.00 C ATOM 906 CD GLU A 57 10.698 -4.393 8.256 1.00 10.00 C ATOM 907 OE1 GLU A 57 9.628 -4.989 8.530 1.00 10.00 O ATOM 908 OE2 GLU A 57 11.741 -4.941 7.836 1.00 10.00 O ATOM 0 H GLU A 57 7.477 -0.885 6.413 1.00 10.00 H new ATOM 0 HA GLU A 57 8.418 -3.600 7.054 1.00 10.00 H new ATOM 0 HB2 GLU A 57 10.410 -2.298 6.390 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.987 -1.052 7.547 1.00 10.00 H new ATOM 0 HG2 GLU A 57 11.752 -2.521 8.439 1.00 10.00 H new ATOM 0 HG3 GLU A 57 10.303 -2.622 9.420 1.00 10.00 H new ATOM 915 N LEU A 58 7.605 -3.308 9.382 1.00 10.00 N ATOM 916 CA LEU A 58 6.787 -3.367 10.587 1.00 10.00 C ATOM 917 C LEU A 58 7.647 -3.780 11.780 1.00 10.00 C ATOM 918 O LEU A 58 8.302 -4.821 11.768 1.00 10.00 O ATOM 919 CB LEU A 58 5.624 -4.326 10.294 1.00 10.00 C ATOM 920 CG LEU A 58 4.807 -4.810 11.512 1.00 10.00 C ATOM 921 CD1 LEU A 58 3.329 -4.461 11.375 1.00 10.00 C ATOM 922 CD2 LEU A 58 4.913 -6.331 11.631 1.00 10.00 C ATOM 0 H LEU A 58 8.140 -4.163 9.229 1.00 10.00 H new ATOM 0 HA LEU A 58 6.370 -2.396 10.856 1.00 10.00 H new ATOM 0 HB2 LEU A 58 4.943 -3.834 9.600 1.00 10.00 H new ATOM 0 HB3 LEU A 58 6.024 -5.201 9.782 1.00 10.00 H new ATOM 0 HG LEU A 58 5.215 -4.313 12.392 1.00 10.00 H new ATOM 0 HD11 LEU A 58 2.788 -4.818 12.251 1.00 10.00 H new ATOM 0 HD12 LEU A 58 3.216 -3.380 11.295 1.00 10.00 H new ATOM 0 HD13 LEU A 58 2.925 -4.935 10.481 1.00 10.00 H new ATOM 0 HD21 LEU A 58 4.336 -6.670 12.491 1.00 10.00 H new ATOM 0 HD22 LEU A 58 4.521 -6.795 10.726 1.00 10.00 H new ATOM 0 HD23 LEU A 58 5.958 -6.614 11.761 1.00 10.00 H new ATOM 934 N TYR A 59 7.584 -2.982 12.845 1.00 10.00 N ATOM 935 CA TYR A 59 8.398 -3.168 14.037 1.00 10.00 C ATOM 936 C TYR A 59 7.491 -3.679 15.152 1.00 10.00 C ATOM 937 O TYR A 59 6.696 -2.926 15.712 1.00 10.00 O ATOM 938 CB TYR A 59 9.114 -1.860 14.401 1.00 10.00 C ATOM 939 CG TYR A 59 9.919 -1.248 13.268 1.00 10.00 C ATOM 940 CD1 TYR A 59 11.202 -1.736 12.949 1.00 10.00 C ATOM 941 CD2 TYR A 59 9.376 -0.182 12.525 1.00 10.00 C ATOM 942 CE1 TYR A 59 11.950 -1.135 11.916 1.00 10.00 C ATOM 943 CE2 TYR A 59 10.119 0.425 11.504 1.00 10.00 C ATOM 944 CZ TYR A 59 11.417 -0.039 11.201 1.00 10.00 C ATOM 945 OH TYR A 59 12.161 0.579 10.244 1.00 10.00 O ATOM 0 H TYR A 59 6.957 -2.179 12.901 1.00 10.00 H new ATOM 0 HA TYR A 59 9.183 -3.905 13.867 1.00 10.00 H new ATOM 0 HB2 TYR A 59 8.372 -1.135 14.736 1.00 10.00 H new ATOM 0 HB3 TYR A 59 9.780 -2.047 15.244 1.00 10.00 H new ATOM 0 HD1 TYR A 59 11.613 -2.571 13.497 1.00 10.00 H new ATOM 0 HD2 TYR A 59 8.379 0.170 12.744 1.00 10.00 H new ATOM 0 HE1 TYR A 59 12.932 -1.513 11.671 1.00 10.00 H new ATOM 0 HE2 TYR A 59 9.698 1.249 10.948 1.00 10.00 H new ATOM 0 HH TYR A 59 11.580 1.142 9.691 1.00 10.00 H new ATOM 955 N LEU A 60 7.570 -4.980 15.428 1.00 10.00 N ATOM 956 CA LEU A 60 6.807 -5.653 16.476 1.00 10.00 C ATOM 957 C LEU A 60 7.514 -5.593 17.834 1.00 10.00 C ATOM 958 O LEU A 60 8.740 -5.527 17.911 1.00 10.00 O ATOM 959 CB LEU A 60 6.579 -7.116 16.076 1.00 10.00 C ATOM 960 CG LEU A 60 5.473 -7.289 15.029 1.00 10.00 C ATOM 961 CD1 LEU A 60 5.522 -8.697 14.431 1.00 10.00 C ATOM 962 CD2 LEU A 60 4.078 -7.074 15.624 1.00 10.00 C ATOM 0 H LEU A 60 8.184 -5.612 14.914 1.00 10.00 H new ATOM 0 HA LEU A 60 5.854 -5.135 16.581 1.00 10.00 H new ATOM 0 HB2 LEU A 60 7.509 -7.528 15.685 1.00 10.00 H new ATOM 0 HB3 LEU A 60 6.323 -7.693 16.964 1.00 10.00 H new ATOM 0 HG LEU A 60 5.650 -6.537 14.261 1.00 10.00 H new ATOM 0 HD11 LEU A 60 4.731 -8.805 13.689 1.00 10.00 H new ATOM 0 HD12 LEU A 60 6.490 -8.857 13.955 1.00 10.00 H new ATOM 0 HD13 LEU A 60 5.381 -9.433 15.222 1.00 10.00 H new ATOM 0 HD21 LEU A 60 3.326 -7.207 14.846 1.00 10.00 H new ATOM 0 HD22 LEU A 60 3.907 -7.798 16.421 1.00 10.00 H new ATOM 0 HD23 LEU A 60 4.007 -6.065 16.029 1.00 10.00 H new ATOM 974 N ASP A 61 6.719 -5.630 18.905 1.00 10.00 N ATOM 975 CA ASP A 61 7.223 -5.807 20.267 1.00 10.00 C ATOM 976 C ASP A 61 7.974 -7.147 20.426 1.00 10.00 C ATOM 977 O ASP A 61 7.602 -8.160 19.826 1.00 10.00 O ATOM 978 CB ASP A 61 6.045 -5.709 21.245 1.00 10.00 C ATOM 979 CG ASP A 61 6.528 -5.852 22.685 1.00 10.00 C ATOM 980 OD1 ASP A 61 7.001 -4.836 23.236 1.00 10.00 O ATOM 981 OD2 ASP A 61 6.496 -6.999 23.180 1.00 10.00 O ATOM 0 H ASP A 61 5.705 -5.538 18.851 1.00 10.00 H new ATOM 0 HA ASP A 61 7.944 -5.020 20.487 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.540 -4.752 21.119 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.315 -6.487 21.022 1.00 10.00 H new ATOM 986 N GLU A 62 9.005 -7.173 21.281 1.00 10.00 N ATOM 987 CA GLU A 62 9.842 -8.357 21.535 1.00 10.00 C ATOM 988 C GLU A 62 9.097 -9.539 22.194 1.00 10.00 C ATOM 989 O GLU A 62 9.654 -10.634 22.274 1.00 10.00 O ATOM 990 CB GLU A 62 11.071 -7.958 22.373 1.00 10.00 C ATOM 991 CG GLU A 62 11.981 -6.956 21.647 1.00 10.00 C ATOM 992 CD GLU A 62 13.265 -6.695 22.444 1.00 10.00 C ATOM 993 OE1 GLU A 62 13.220 -5.826 23.344 1.00 10.00 O ATOM 994 OE2 GLU A 62 14.277 -7.369 22.149 1.00 10.00 O ATOM 0 H GLU A 62 9.287 -6.358 21.826 1.00 10.00 H new ATOM 0 HA GLU A 62 10.152 -8.723 20.556 1.00 10.00 H new ATOM 0 HB2 GLU A 62 10.738 -7.524 23.316 1.00 10.00 H new ATOM 0 HB3 GLU A 62 11.644 -8.852 22.619 1.00 10.00 H new ATOM 0 HG2 GLU A 62 12.235 -7.341 20.659 1.00 10.00 H new ATOM 0 HG3 GLU A 62 11.446 -6.018 21.496 1.00 10.00 H new ATOM 1001 N LEU A 63 7.841 -9.349 22.625 1.00 10.00 N ATOM 1002 CA LEU A 63 6.966 -10.367 23.216 1.00 10.00 C ATOM 1003 C LEU A 63 5.629 -10.522 22.452 1.00 10.00 C ATOM 1004 O LEU A 63 4.701 -11.167 22.941 1.00 10.00 O ATOM 1005 CB LEU A 63 6.767 -10.012 24.704 1.00 10.00 C ATOM 1006 CG LEU A 63 7.213 -11.129 25.664 1.00 10.00 C ATOM 1007 CD1 LEU A 63 7.163 -10.621 27.109 1.00 10.00 C ATOM 1008 CD2 LEU A 63 6.337 -12.381 25.560 1.00 10.00 C ATOM 0 H LEU A 63 7.388 -8.437 22.567 1.00 10.00 H new ATOM 0 HA LEU A 63 7.437 -11.347 23.135 1.00 10.00 H new ATOM 0 HB2 LEU A 63 7.325 -9.104 24.931 1.00 10.00 H new ATOM 0 HB3 LEU A 63 5.714 -9.791 24.880 1.00 10.00 H new ATOM 0 HG LEU A 63 8.229 -11.401 25.379 1.00 10.00 H new ATOM 0 HD11 LEU A 63 7.480 -11.415 27.785 1.00 10.00 H new ATOM 0 HD12 LEU A 63 7.829 -9.765 27.217 1.00 10.00 H new ATOM 0 HD13 LEU A 63 6.144 -10.321 27.354 1.00 10.00 H new ATOM 0 HD21 LEU A 63 6.697 -13.136 26.259 1.00 10.00 H new ATOM 0 HD22 LEU A 63 5.306 -12.125 25.802 1.00 10.00 H new ATOM 0 HD23 LEU A 63 6.384 -12.775 24.545 1.00 10.00 H new ATOM 1020 N SER A 64 5.543 -9.926 21.258 1.00 10.00 N ATOM 1021 CA SER A 64 4.471 -10.112 20.262 1.00 10.00 C ATOM 1022 C SER A 64 4.323 -11.567 19.774 1.00 10.00 C ATOM 1023 O SER A 64 5.189 -12.409 20.021 1.00 10.00 O ATOM 1024 CB SER A 64 4.744 -9.211 19.051 1.00 10.00 C ATOM 1025 OG SER A 64 5.996 -9.533 18.477 1.00 10.00 O ATOM 0 H SER A 64 6.253 -9.266 20.940 1.00 10.00 H new ATOM 0 HA SER A 64 3.538 -9.846 20.759 1.00 10.00 H new ATOM 0 HB2 SER A 64 3.953 -9.334 18.311 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.734 -8.165 19.357 1.00 10.00 H new ATOM 0 HG SER A 64 6.669 -8.887 18.777 1.00 10.00 H new ATOM 1031 N ASP A 65 3.243 -11.861 19.033 1.00 10.00 N ATOM 1032 CA ASP A 65 2.994 -13.189 18.462 1.00 10.00 C ATOM 1033 C ASP A 65 2.224 -13.072 17.130 1.00 10.00 C ATOM 1034 O ASP A 65 0.998 -12.961 17.089 1.00 10.00 O ATOM 1035 CB ASP A 65 2.287 -14.087 19.504 1.00 10.00 C ATOM 1036 CG ASP A 65 2.670 -15.568 19.375 1.00 10.00 C ATOM 1037 OD1 ASP A 65 3.050 -15.986 18.257 1.00 10.00 O ATOM 1038 OD2 ASP A 65 2.577 -16.272 20.407 1.00 10.00 O ATOM 0 H ASP A 65 2.516 -11.180 18.814 1.00 10.00 H new ATOM 0 HA ASP A 65 3.941 -13.672 18.221 1.00 10.00 H new ATOM 0 HB2 ASP A 65 2.537 -13.738 20.506 1.00 10.00 H new ATOM 0 HB3 ASP A 65 1.208 -13.985 19.391 1.00 10.00 H new ATOM 1043 N ALA A 66 2.976 -13.066 16.024 1.00 10.00 N ATOM 1044 CA ALA A 66 2.491 -12.844 14.659 1.00 10.00 C ATOM 1045 C ALA A 66 3.219 -13.721 13.614 1.00 10.00 C ATOM 1046 O ALA A 66 4.234 -14.350 13.915 1.00 10.00 O ATOM 1047 CB ALA A 66 2.644 -11.350 14.346 1.00 10.00 C ATOM 0 H ALA A 66 3.983 -13.223 16.058 1.00 10.00 H new ATOM 0 HA ALA A 66 1.444 -13.140 14.599 1.00 10.00 H new ATOM 0 HB1 ALA A 66 2.291 -11.152 13.334 1.00 10.00 H new ATOM 0 HB2 ALA A 66 2.057 -10.768 15.056 1.00 10.00 H new ATOM 0 HB3 ALA A 66 3.694 -11.067 14.425 1.00 10.00 H new ATOM 1053 N ASP A 67 2.722 -13.746 12.367 1.00 10.00 N ATOM 1054 CA ASP A 67 3.177 -14.707 11.350 1.00 10.00 C ATOM 1055 C ASP A 67 4.436 -14.233 10.580 1.00 10.00 C ATOM 1056 O ASP A 67 4.533 -13.053 10.222 1.00 10.00 O ATOM 1057 CB ASP A 67 2.054 -14.963 10.331 1.00 10.00 C ATOM 1058 CG ASP A 67 0.801 -15.582 10.953 1.00 10.00 C ATOM 1059 OD1 ASP A 67 0.928 -16.676 11.539 1.00 10.00 O ATOM 1060 OD2 ASP A 67 -0.281 -14.964 10.790 1.00 10.00 O ATOM 0 H ASP A 67 1.999 -13.106 12.037 1.00 10.00 H new ATOM 0 HA ASP A 67 3.438 -15.618 11.888 1.00 10.00 H new ATOM 0 HB2 ASP A 67 1.786 -14.021 9.852 1.00 10.00 H new ATOM 0 HB3 ASP A 67 2.427 -15.624 9.548 1.00 10.00 H new ATOM 1065 N PRO A 68 5.377 -15.149 10.244 1.00 10.00 N ATOM 1066 CA PRO A 68 6.657 -14.864 9.576 1.00 10.00 C ATOM 1067 C PRO A 68 6.496 -14.553 8.069 1.00 10.00 C ATOM 1068 O PRO A 68 7.057 -15.219 7.202 1.00 10.00 O ATOM 1069 CB PRO A 68 7.531 -16.093 9.865 1.00 10.00 C ATOM 1070 CG PRO A 68 6.513 -17.229 9.887 1.00 10.00 C ATOM 1071 CD PRO A 68 5.310 -16.573 10.562 1.00 10.00 C ATOM 0 HA PRO A 68 7.121 -13.954 9.957 1.00 10.00 H new ATOM 0 HB2 PRO A 68 8.288 -16.242 9.095 1.00 10.00 H new ATOM 0 HB3 PRO A 68 8.057 -16.002 10.815 1.00 10.00 H new ATOM 0 HG2 PRO A 68 6.275 -17.581 8.883 1.00 10.00 H new ATOM 0 HG3 PRO A 68 6.876 -18.090 10.449 1.00 10.00 H new ATOM 0 HD2 PRO A 68 4.378 -17.007 10.200 1.00 10.00 H new ATOM 0 HD3 PRO A 68 5.337 -16.731 11.640 1.00 10.00 H new ATOM 1079 N GLY A 69 5.682 -13.539 7.775 1.00 10.00 N ATOM 1080 CA GLY A 69 5.304 -13.090 6.428 1.00 10.00 C ATOM 1081 C GLY A 69 4.206 -12.013 6.381 1.00 10.00 C ATOM 1082 O GLY A 69 3.923 -11.485 5.308 1.00 10.00 O ATOM 0 H GLY A 69 5.244 -12.977 8.505 1.00 10.00 H new ATOM 0 HA2 GLY A 69 6.192 -12.703 5.929 1.00 10.00 H new ATOM 0 HA3 GLY A 69 4.968 -13.954 5.855 1.00 10.00 H new ATOM 1086 N ILE A 70 3.613 -11.651 7.529 1.00 10.00 N ATOM 1087 CA ILE A 70 2.444 -10.771 7.674 1.00 10.00 C ATOM 1088 C ILE A 70 2.574 -9.372 7.033 1.00 10.00 C ATOM 1089 O ILE A 70 1.569 -8.719 6.759 1.00 10.00 O ATOM 1090 CB ILE A 70 2.121 -10.721 9.186 1.00 10.00 C ATOM 1091 CG1 ILE A 70 0.623 -10.543 9.481 1.00 10.00 C ATOM 1092 CG2 ILE A 70 2.970 -9.685 9.950 1.00 10.00 C ATOM 1093 CD1 ILE A 70 0.275 -11.226 10.813 1.00 10.00 C ATOM 0 H ILE A 70 3.955 -11.983 8.431 1.00 10.00 H new ATOM 0 HA ILE A 70 1.617 -11.190 7.102 1.00 10.00 H new ATOM 0 HB ILE A 70 2.401 -11.704 9.564 1.00 10.00 H new ATOM 0 HG12 ILE A 70 0.375 -9.483 9.529 1.00 10.00 H new ATOM 0 HG13 ILE A 70 0.030 -10.973 8.674 1.00 10.00 H new ATOM 0 HG21 ILE A 70 2.697 -9.698 11.005 1.00 10.00 H new ATOM 0 HG22 ILE A 70 4.026 -9.932 9.846 1.00 10.00 H new ATOM 0 HG23 ILE A 70 2.788 -8.692 9.540 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -0.787 -11.099 11.020 1.00 10.00 H new ATOM 0 HD12 ILE A 70 0.507 -12.289 10.748 1.00 10.00 H new ATOM 0 HD13 ILE A 70 0.858 -10.775 11.616 1.00 10.00 H new ATOM 1105 N VAL A 71 3.810 -8.923 6.782 1.00 10.00 N ATOM 1106 CA VAL A 71 4.145 -7.671 6.091 1.00 10.00 C ATOM 1107 C VAL A 71 3.995 -7.818 4.580 1.00 10.00 C ATOM 1108 O VAL A 71 3.290 -7.031 3.958 1.00 10.00 O ATOM 1109 CB VAL A 71 5.604 -7.286 6.384 1.00 10.00 C ATOM 1110 CG1 VAL A 71 6.003 -5.975 5.698 1.00 10.00 C ATOM 1111 CG2 VAL A 71 5.854 -7.174 7.889 1.00 10.00 C ATOM 0 H VAL A 71 4.639 -9.444 7.067 1.00 10.00 H new ATOM 0 HA VAL A 71 3.461 -6.904 6.453 1.00 10.00 H new ATOM 0 HB VAL A 71 6.223 -8.085 5.977 1.00 10.00 H new ATOM 0 HG11 VAL A 71 7.042 -5.743 5.933 1.00 10.00 H new ATOM 0 HG12 VAL A 71 5.890 -6.080 4.619 1.00 10.00 H new ATOM 0 HG13 VAL A 71 5.361 -5.169 6.053 1.00 10.00 H new ATOM 0 HG21 VAL A 71 6.894 -6.901 8.066 1.00 10.00 H new ATOM 0 HG22 VAL A 71 5.201 -6.410 8.310 1.00 10.00 H new ATOM 0 HG23 VAL A 71 5.645 -8.132 8.365 1.00 10.00 H new ATOM 1121 N ASP A 72 4.647 -8.830 3.999 1.00 10.00 N ATOM 1122 CA ASP A 72 4.565 -9.183 2.578 1.00 10.00 C ATOM 1123 C ASP A 72 3.108 -9.361 2.129 1.00 10.00 C ATOM 1124 O ASP A 72 2.730 -8.875 1.063 1.00 10.00 O ATOM 1125 CB ASP A 72 5.402 -10.443 2.316 1.00 10.00 C ATOM 1126 CG ASP A 72 5.553 -10.728 0.820 1.00 10.00 C ATOM 1127 OD1 ASP A 72 6.149 -9.867 0.136 1.00 10.00 O ATOM 1128 OD2 ASP A 72 5.095 -11.810 0.390 1.00 10.00 O ATOM 0 H ASP A 72 5.268 -9.447 4.523 1.00 10.00 H new ATOM 0 HA ASP A 72 4.974 -8.366 1.984 1.00 10.00 H new ATOM 0 HB2 ASP A 72 6.388 -10.323 2.764 1.00 10.00 H new ATOM 0 HB3 ASP A 72 4.933 -11.298 2.803 1.00 10.00 H new ATOM 1133 N GLU A 73 2.261 -9.909 3.013 1.00 10.00 N ATOM 1134 CA GLU A 73 0.821 -10.017 2.772 1.00 10.00 C ATOM 1135 C GLU A 73 0.164 -8.633 2.654 1.00 10.00 C ATOM 1136 O GLU A 73 -0.757 -8.472 1.855 1.00 10.00 O ATOM 1137 CB GLU A 73 0.126 -10.698 3.959 1.00 10.00 C ATOM 1138 CG GLU A 73 0.451 -12.162 4.261 1.00 10.00 C ATOM 1139 CD GLU A 73 -0.212 -12.592 5.582 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -1.316 -12.105 5.925 1.00 10.00 O ATOM 1141 OE2 GLU A 73 0.388 -13.402 6.321 1.00 10.00 O ATOM 0 H GLU A 73 2.558 -10.288 3.912 1.00 10.00 H new ATOM 0 HA GLU A 73 0.710 -10.586 1.849 1.00 10.00 H new ATOM 0 HB2 GLU A 73 0.355 -10.118 4.853 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -0.950 -10.625 3.798 1.00 10.00 H new ATOM 0 HG2 GLU A 73 0.100 -12.796 3.446 1.00 10.00 H new ATOM 0 HG3 GLU A 73 1.531 -12.296 4.327 1.00 10.00 H new ATOM 1148 N ALA A 74 0.633 -7.624 3.403 1.00 10.00 N ATOM 1149 CA ALA A 74 0.082 -6.272 3.315 1.00 10.00 C ATOM 1150 C ALA A 74 0.457 -5.605 1.989 1.00 10.00 C ATOM 1151 O ALA A 74 -0.380 -4.953 1.361 1.00 10.00 O ATOM 1152 CB ALA A 74 0.583 -5.435 4.497 1.00 10.00 C ATOM 0 H ALA A 74 1.393 -7.723 4.076 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.005 -6.338 3.355 1.00 10.00 H new ATOM 0 HB1 ALA A 74 0.172 -4.428 4.430 1.00 10.00 H new ATOM 0 HB2 ALA A 74 0.263 -5.896 5.431 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.672 -5.385 4.472 1.00 10.00 H new ATOM 1158 N VAL A 75 1.707 -5.791 1.548 1.00 10.00 N ATOM 1159 CA VAL A 75 2.189 -5.241 0.277 1.00 10.00 C ATOM 1160 C VAL A 75 1.493 -5.933 -0.903 1.00 10.00 C ATOM 1161 O VAL A 75 0.965 -5.257 -1.781 1.00 10.00 O ATOM 1162 CB VAL A 75 3.727 -5.318 0.151 1.00 10.00 C ATOM 1163 CG1 VAL A 75 4.208 -4.216 -0.792 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.466 -5.090 1.479 1.00 10.00 C ATOM 0 H VAL A 75 2.409 -6.325 2.060 1.00 10.00 H new ATOM 0 HA VAL A 75 1.931 -4.182 0.257 1.00 10.00 H new ATOM 0 HB VAL A 75 3.946 -6.324 -0.208 1.00 10.00 H new ATOM 0 HG11 VAL A 75 5.293 -4.265 -0.885 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.753 -4.352 -1.773 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.922 -3.244 -0.391 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.541 -5.159 1.314 1.00 10.00 H new ATOM 0 HG22 VAL A 75 4.221 -4.101 1.867 1.00 10.00 H new ATOM 0 HG23 VAL A 75 4.161 -5.848 2.200 1.00 10.00 H new ATOM 1174 N ASP A 76 1.373 -7.265 -0.866 1.00 10.00 N ATOM 1175 CA ASP A 76 0.614 -8.083 -1.816 1.00 10.00 C ATOM 1176 C ASP A 76 -0.873 -7.684 -1.846 1.00 10.00 C ATOM 1177 O ASP A 76 -1.432 -7.509 -2.934 1.00 10.00 O ATOM 1178 CB ASP A 76 0.795 -9.554 -1.399 1.00 10.00 C ATOM 1179 CG ASP A 76 -0.008 -10.525 -2.258 1.00 10.00 C ATOM 1180 OD1 ASP A 76 -1.173 -10.806 -1.906 1.00 10.00 O ATOM 1181 OD2 ASP A 76 0.506 -10.993 -3.298 1.00 10.00 O ATOM 0 H ASP A 76 1.822 -7.825 -0.142 1.00 10.00 H new ATOM 0 HA ASP A 76 0.986 -7.927 -2.829 1.00 10.00 H new ATOM 0 HB2 ASP A 76 1.852 -9.814 -1.459 1.00 10.00 H new ATOM 0 HB3 ASP A 76 0.497 -9.669 -0.357 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.492 -7.425 -0.687 1.00 10.00 N ATOM 1187 CA ALA A 77 -2.855 -6.900 -0.622 1.00 10.00 C ATOM 1188 C ALA A 77 -2.963 -5.507 -1.265 1.00 10.00 C ATOM 1189 O ALA A 77 -3.909 -5.267 -2.017 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.331 -6.885 0.833 1.00 10.00 C ATOM 0 H ALA A 77 -1.062 -7.574 0.226 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.506 -7.557 -1.198 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.347 -6.493 0.879 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.315 -7.899 1.232 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.671 -6.252 1.425 1.00 10.00 H new ATOM 1196 N ALA A 78 -1.994 -4.607 -1.039 1.00 10.00 N ATOM 1197 CA ALA A 78 -1.936 -3.321 -1.735 1.00 10.00 C ATOM 1198 C ALA A 78 -1.770 -3.485 -3.254 1.00 10.00 C ATOM 1199 O ALA A 78 -2.480 -2.819 -4.006 1.00 10.00 O ATOM 1200 CB ALA A 78 -0.839 -2.444 -1.121 1.00 10.00 C ATOM 0 H ALA A 78 -1.235 -4.752 -0.373 1.00 10.00 H new ATOM 0 HA ALA A 78 -2.893 -2.817 -1.598 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.802 -1.488 -1.644 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.058 -2.272 -0.067 1.00 10.00 H new ATOM 0 HB3 ALA A 78 0.124 -2.947 -1.215 1.00 10.00 H new ATOM 1206 N TYR A 79 -0.909 -4.401 -3.720 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.755 -4.673 -5.153 1.00 10.00 C ATOM 1208 C TYR A 79 -2.042 -5.235 -5.783 1.00 10.00 C ATOM 1209 O TYR A 79 -2.480 -4.724 -6.815 1.00 10.00 O ATOM 1210 CB TYR A 79 0.411 -5.654 -5.376 1.00 10.00 C ATOM 1211 CG TYR A 79 1.804 -5.087 -5.147 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.252 -4.015 -5.946 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.671 -5.657 -4.188 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.548 -3.496 -5.776 1.00 10.00 C ATOM 1215 CE2 TYR A 79 3.982 -5.159 -4.041 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.416 -4.063 -4.820 1.00 10.00 C ATOM 1217 OH TYR A 79 5.660 -3.537 -4.652 1.00 10.00 O ATOM 0 H TYR A 79 -0.307 -4.967 -3.121 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.541 -3.724 -5.644 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.274 -6.509 -4.714 1.00 10.00 H new ATOM 0 HB3 TYR A 79 0.355 -6.030 -6.398 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.597 -3.590 -6.692 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.330 -6.473 -3.568 1.00 10.00 H new ATOM 0 HE1 TYR A 79 3.879 -2.663 -6.378 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.656 -5.616 -3.332 1.00 10.00 H new ATOM 0 HH TYR A 79 6.135 -4.037 -3.956 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.728 -6.178 -5.119 1.00 10.00 N ATOM 1228 CA ARG A 80 -4.010 -6.720 -5.606 1.00 10.00 C ATOM 1229 C ARG A 80 -5.121 -5.675 -5.552 1.00 10.00 C ATOM 1230 O ARG A 80 -5.925 -5.570 -6.479 1.00 10.00 O ATOM 1231 CB ARG A 80 -4.409 -7.960 -4.795 1.00 10.00 C ATOM 1232 CG ARG A 80 -3.465 -9.134 -5.081 1.00 10.00 C ATOM 1233 CD ARG A 80 -3.808 -10.342 -4.204 1.00 10.00 C ATOM 1234 NE ARG A 80 -2.652 -11.242 -4.107 1.00 10.00 N ATOM 1235 CZ ARG A 80 -2.165 -12.059 -5.023 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -2.845 -12.388 -6.098 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -0.959 -12.541 -4.875 1.00 10.00 N ATOM 0 H ARG A 80 -2.415 -6.584 -4.237 1.00 10.00 H new ATOM 0 HA ARG A 80 -3.872 -7.005 -6.649 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -4.389 -7.724 -3.731 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -5.432 -8.244 -5.039 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -3.534 -9.413 -6.133 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -2.434 -8.829 -4.899 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -4.102 -10.007 -3.209 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -4.660 -10.876 -4.625 1.00 10.00 H new ATOM 0 HE ARG A 80 -2.160 -11.235 -3.214 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -3.781 -12.009 -6.245 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -2.437 -13.022 -6.785 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -0.404 -12.285 -4.058 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -0.573 -13.173 -5.576 1.00 10.00 H new ATOM 1251 N SER A 81 -5.147 -4.860 -4.494 1.00 10.00 N ATOM 1252 CA SER A 81 -6.081 -3.746 -4.398 1.00 10.00 C ATOM 1253 C SER A 81 -5.814 -2.668 -5.449 1.00 10.00 C ATOM 1254 O SER A 81 -6.774 -2.020 -5.853 1.00 10.00 O ATOM 1255 CB SER A 81 -6.069 -3.118 -3.008 1.00 10.00 C ATOM 1256 OG SER A 81 -7.175 -2.244 -2.925 1.00 10.00 O ATOM 0 H SER A 81 -4.526 -4.956 -3.690 1.00 10.00 H new ATOM 0 HA SER A 81 -7.068 -4.168 -4.587 1.00 10.00 H new ATOM 0 HB2 SER A 81 -6.131 -3.888 -2.239 1.00 10.00 H new ATOM 0 HB3 SER A 81 -5.139 -2.575 -2.841 1.00 10.00 H new ATOM 0 HG SER A 81 -6.867 -1.318 -3.012 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.568 -2.471 -5.903 1.00 10.00 N ATOM 1263 CA LEU A 82 -4.256 -1.580 -7.022 1.00 10.00 C ATOM 1264 C LEU A 82 -4.770 -2.149 -8.350 1.00 10.00 C ATOM 1265 O LEU A 82 -5.386 -1.415 -9.124 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.741 -1.323 -7.079 1.00 10.00 C ATOM 1267 CG LEU A 82 -2.309 -0.248 -8.098 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -2.947 1.122 -7.837 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -0.786 -0.092 -8.055 1.00 10.00 C ATOM 0 H LEU A 82 -3.749 -2.927 -5.502 1.00 10.00 H new ATOM 0 HA LEU A 82 -4.767 -0.631 -6.860 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.399 -1.024 -6.088 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -2.236 -2.258 -7.321 1.00 10.00 H new ATOM 0 HG LEU A 82 -2.649 -0.588 -9.076 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -2.602 1.833 -8.588 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -4.032 1.034 -7.891 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -2.660 1.474 -6.846 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -0.478 0.667 -8.774 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -0.479 0.211 -7.054 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -0.316 -1.043 -8.307 1.00 10.00 H new ATOM 1281 N GLU A 83 -4.582 -3.454 -8.597 1.00 10.00 N ATOM 1282 CA GLU A 83 -5.163 -4.102 -9.780 1.00 10.00 C ATOM 1283 C GLU A 83 -6.696 -3.998 -9.767 1.00 10.00 C ATOM 1284 O GLU A 83 -7.287 -3.614 -10.776 1.00 10.00 O ATOM 1285 CB GLU A 83 -4.758 -5.586 -9.831 1.00 10.00 C ATOM 1286 CG GLU A 83 -3.258 -5.815 -10.057 1.00 10.00 C ATOM 1287 CD GLU A 83 -2.907 -7.305 -9.942 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -3.026 -7.849 -8.819 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -2.530 -7.887 -10.983 1.00 10.00 O ATOM 0 H GLU A 83 -4.037 -4.076 -7.999 1.00 10.00 H new ATOM 0 HA GLU A 83 -4.780 -3.588 -10.662 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -5.052 -6.065 -8.897 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -5.315 -6.077 -10.629 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -2.974 -5.446 -11.042 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -2.685 -5.245 -9.326 1.00 10.00 H new ATOM 1296 N SER A 84 -7.330 -4.192 -8.600 1.00 10.00 N ATOM 1297 CA SER A 84 -8.783 -4.057 -8.452 1.00 10.00 C ATOM 1298 C SER A 84 -9.267 -2.604 -8.519 1.00 10.00 C ATOM 1299 O SER A 84 -10.396 -2.369 -8.942 1.00 10.00 O ATOM 1300 CB SER A 84 -9.247 -4.674 -7.133 1.00 10.00 C ATOM 1301 OG SER A 84 -10.662 -4.680 -7.092 1.00 10.00 O ATOM 0 H SER A 84 -6.850 -4.446 -7.737 1.00 10.00 H new ATOM 0 HA SER A 84 -9.220 -4.589 -9.297 1.00 10.00 H new ATOM 0 HB2 SER A 84 -8.865 -5.690 -7.039 1.00 10.00 H new ATOM 0 HB3 SER A 84 -8.850 -4.105 -6.292 1.00 10.00 H new ATOM 0 HG SER A 84 -10.963 -5.077 -6.248 1.00 10.00 H new ATOM 1307 N PHE A 85 -8.451 -1.635 -8.094 1.00 10.00 N ATOM 1308 CA PHE A 85 -8.738 -0.205 -8.219 1.00 10.00 C ATOM 1309 C PHE A 85 -8.693 0.228 -9.689 1.00 10.00 C ATOM 1310 O PHE A 85 -9.587 0.942 -10.139 1.00 10.00 O ATOM 1311 CB PHE A 85 -7.710 0.540 -7.349 1.00 10.00 C ATOM 1312 CG PHE A 85 -7.657 2.055 -7.408 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -7.091 2.697 -8.526 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -8.030 2.816 -6.284 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -6.883 4.089 -8.513 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -7.819 4.206 -6.267 1.00 10.00 C ATOM 1317 CZ PHE A 85 -7.241 4.842 -7.380 1.00 10.00 C ATOM 0 H PHE A 85 -7.556 -1.827 -7.645 1.00 10.00 H new ATOM 0 HA PHE A 85 -9.744 0.032 -7.872 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -7.890 0.257 -6.312 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -6.721 0.166 -7.614 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -6.816 2.120 -9.396 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -8.480 2.330 -5.431 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -6.449 4.579 -9.372 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -8.101 4.785 -5.400 1.00 10.00 H new ATOM 0 HZ PHE A 85 -7.072 5.909 -7.365 1.00 10.00 H new ATOM 1327 N LEU A 86 -7.711 -0.246 -10.470 1.00 10.00 N ATOM 1328 CA LEU A 86 -7.627 0.085 -11.897 1.00 10.00 C ATOM 1329 C LEU A 86 -8.661 -0.669 -12.731 1.00 10.00 C ATOM 1330 O LEU A 86 -9.220 -0.084 -13.661 1.00 10.00 O ATOM 1331 CB LEU A 86 -6.222 -0.217 -12.423 1.00 10.00 C ATOM 1332 CG LEU A 86 -5.132 0.678 -11.798 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -3.751 0.203 -12.248 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -5.315 2.148 -12.190 1.00 10.00 C ATOM 0 H LEU A 86 -6.966 -0.858 -10.137 1.00 10.00 H new ATOM 0 HA LEU A 86 -7.841 1.150 -11.993 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -5.983 -1.262 -12.223 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -6.211 -0.089 -13.505 1.00 10.00 H new ATOM 0 HG LEU A 86 -5.220 0.601 -10.714 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -2.985 0.839 -11.804 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -3.598 -0.828 -11.927 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -3.683 0.259 -13.334 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -4.529 2.748 -11.731 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -5.259 2.245 -13.274 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -6.287 2.499 -11.844 1.00 10.00 H new