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 19 HIS : no HE2:sc= 0.378 K(o=1.4,f=-1.1) USER MOD Set 1.2: A 23 SER OG : rot 159:sc= 1.04 USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 20 ASN : amide:sc= 1.15 K(o=1.1,f=-0.039) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.324 USER MOD Single : A 15 SER OG : rot -50:sc= 1.27 USER MOD Single : A 21 THR OG1 : rot 99:sc= 1.19 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.126 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 31:sc= 1.27 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -171:sc= 2.27 (180deg=1.78) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 168:sc= 0.847 USER MOD Single : A 64 SER OG : rot -163:sc= 0.811 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -39:sc= 1.08 USER MOD Single : A 84 SER OG : rot 76:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -2.844 13.046 -14.789 1.00 10.00 N ATOM 95 CA LEU A 6 -2.141 12.425 -13.668 1.00 10.00 C ATOM 96 C LEU A 6 -0.901 13.233 -13.285 1.00 10.00 C ATOM 97 O LEU A 6 0.076 13.305 -14.029 1.00 10.00 O ATOM 98 CB LEU A 6 -1.746 10.979 -14.024 1.00 10.00 C ATOM 99 CG LEU A 6 -2.921 10.015 -14.278 1.00 10.00 C ATOM 100 CD1 LEU A 6 -2.374 8.622 -14.607 1.00 10.00 C ATOM 101 CD2 LEU A 6 -3.854 9.893 -13.071 1.00 10.00 C ATOM 0 HA LEU A 6 -2.814 12.408 -12.811 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -1.118 11.001 -14.914 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -1.137 10.577 -13.214 1.00 10.00 H new ATOM 0 HG LEU A 6 -3.495 10.424 -15.110 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -3.204 7.938 -14.787 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -1.750 8.678 -15.499 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -1.779 8.258 -13.770 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -4.664 9.202 -13.305 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -3.294 9.519 -12.214 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -4.270 10.872 -12.832 1.00 10.00 H new ATOM 113 N THR A 7 -0.971 13.838 -12.099 1.00 10.00 N ATOM 114 CA THR A 7 0.085 14.657 -11.507 1.00 10.00 C ATOM 115 C THR A 7 0.188 14.380 -10.000 1.00 10.00 C ATOM 116 O THR A 7 -0.376 13.408 -9.495 1.00 10.00 O ATOM 117 CB THR A 7 -0.159 16.138 -11.864 1.00 10.00 C ATOM 118 OG1 THR A 7 0.963 16.914 -11.501 1.00 10.00 O ATOM 119 CG2 THR A 7 -1.395 16.759 -11.206 1.00 10.00 C ATOM 0 H THR A 7 -1.796 13.768 -11.503 1.00 10.00 H new ATOM 0 HA THR A 7 1.059 14.395 -11.920 1.00 10.00 H new ATOM 0 HB THR A 7 -0.330 16.144 -12.940 1.00 10.00 H new ATOM 0 HG1 THR A 7 0.801 17.852 -11.733 1.00 10.00 H new ATOM 0 HG21 THR A 7 -1.487 17.801 -11.514 1.00 10.00 H new ATOM 0 HG22 THR A 7 -2.285 16.210 -11.513 1.00 10.00 H new ATOM 0 HG23 THR A 7 -1.294 16.709 -10.122 1.00 10.00 H new ATOM 127 N GLU A 8 0.934 15.219 -9.280 1.00 10.00 N ATOM 128 CA GLU A 8 1.236 15.090 -7.852 1.00 10.00 C ATOM 129 C GLU A 8 -0.001 14.789 -6.991 1.00 10.00 C ATOM 130 O GLU A 8 0.099 13.978 -6.079 1.00 10.00 O ATOM 131 CB GLU A 8 1.931 16.369 -7.357 1.00 10.00 C ATOM 132 CG GLU A 8 3.285 16.613 -8.040 1.00 10.00 C ATOM 133 CD GLU A 8 3.886 17.952 -7.601 1.00 10.00 C ATOM 134 OE1 GLU A 8 3.454 18.983 -8.165 1.00 10.00 O ATOM 135 OE2 GLU A 8 4.763 17.930 -6.709 1.00 10.00 O ATOM 0 H GLU A 8 1.364 16.045 -9.695 1.00 10.00 H new ATOM 0 HA GLU A 8 1.899 14.232 -7.742 1.00 10.00 H new ATOM 0 HB2 GLU A 8 1.279 17.224 -7.537 1.00 10.00 H new ATOM 0 HB3 GLU A 8 2.080 16.302 -6.279 1.00 10.00 H new ATOM 0 HG2 GLU A 8 3.972 15.803 -7.794 1.00 10.00 H new ATOM 0 HG3 GLU A 8 3.157 16.605 -9.122 1.00 10.00 H new ATOM 142 N GLY A 9 -1.167 15.373 -7.304 1.00 10.00 N ATOM 143 CA GLY A 9 -2.412 15.125 -6.572 1.00 10.00 C ATOM 144 C GLY A 9 -2.961 13.706 -6.758 1.00 10.00 C ATOM 145 O GLY A 9 -3.229 13.024 -5.770 1.00 10.00 O ATOM 0 H GLY A 9 -1.270 16.033 -8.075 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -2.241 15.303 -5.510 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -3.165 15.843 -6.899 1.00 10.00 H new ATOM 149 N ASP A 10 -3.094 13.235 -8.005 1.00 10.00 N ATOM 150 CA ASP A 10 -3.579 11.884 -8.317 1.00 10.00 C ATOM 151 C ASP A 10 -2.617 10.830 -7.750 1.00 10.00 C ATOM 152 O ASP A 10 -3.032 9.836 -7.154 1.00 10.00 O ATOM 153 CB ASP A 10 -3.671 11.682 -9.844 1.00 10.00 C ATOM 154 CG ASP A 10 -4.197 12.893 -10.615 1.00 10.00 C ATOM 155 OD1 ASP A 10 -3.414 13.871 -10.689 1.00 10.00 O ATOM 156 OD2 ASP A 10 -5.310 12.804 -11.178 1.00 10.00 O ATOM 0 H ASP A 10 -2.866 13.786 -8.833 1.00 10.00 H new ATOM 0 HA ASP A 10 -4.566 11.771 -7.868 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -2.682 11.427 -10.224 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -4.319 10.829 -10.046 1.00 10.00 H new ATOM 161 N LEU A 11 -1.315 11.078 -7.930 1.00 10.00 N ATOM 162 CA LEU A 11 -0.237 10.236 -7.432 1.00 10.00 C ATOM 163 C LEU A 11 -0.173 10.212 -5.898 1.00 10.00 C ATOM 164 O LEU A 11 -0.054 9.122 -5.336 1.00 10.00 O ATOM 165 CB LEU A 11 1.079 10.667 -8.109 1.00 10.00 C ATOM 166 CG LEU A 11 1.286 10.108 -9.540 1.00 10.00 C ATOM 167 CD1 LEU A 11 0.100 10.155 -10.514 1.00 10.00 C ATOM 168 CD2 LEU A 11 2.474 10.804 -10.210 1.00 10.00 C ATOM 0 H LEU A 11 -0.979 11.894 -8.441 1.00 10.00 H new ATOM 0 HA LEU A 11 -0.428 9.197 -7.701 1.00 10.00 H new ATOM 0 HB2 LEU A 11 1.110 11.756 -8.151 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.914 10.348 -7.485 1.00 10.00 H new ATOM 0 HG LEU A 11 1.449 9.047 -9.353 1.00 10.00 H new ATOM 0 HD11 LEU A 11 0.399 9.729 -11.472 1.00 10.00 H new ATOM 0 HD12 LEU A 11 -0.730 9.580 -10.104 1.00 10.00 H new ATOM 0 HD13 LEU A 11 -0.212 11.190 -10.658 1.00 10.00 H new ATOM 0 HD21 LEU A 11 2.611 10.404 -11.215 1.00 10.00 H new ATOM 0 HD22 LEU A 11 2.282 11.875 -10.269 1.00 10.00 H new ATOM 0 HD23 LEU A 11 3.376 10.629 -9.624 1.00 10.00 H new ATOM 180 N ASP A 12 -0.331 11.356 -5.214 1.00 10.00 N ATOM 181 CA ASP A 12 -0.463 11.386 -3.755 1.00 10.00 C ATOM 182 C ASP A 12 -1.706 10.613 -3.295 1.00 10.00 C ATOM 183 O ASP A 12 -1.568 9.743 -2.434 1.00 10.00 O ATOM 184 CB ASP A 12 -0.515 12.835 -3.248 1.00 10.00 C ATOM 185 CG ASP A 12 -0.681 12.900 -1.726 1.00 10.00 C ATOM 186 OD1 ASP A 12 0.359 12.842 -1.034 1.00 10.00 O ATOM 187 OD2 ASP A 12 -1.844 12.999 -1.275 1.00 10.00 O ATOM 0 H ASP A 12 -0.370 12.275 -5.654 1.00 10.00 H new ATOM 0 HA ASP A 12 0.414 10.898 -3.329 1.00 10.00 H new ATOM 0 HB2 ASP A 12 0.399 13.354 -3.536 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -1.343 13.358 -3.727 1.00 10.00 H new ATOM 192 N GLU A 13 -2.868 10.821 -3.932 1.00 10.00 N ATOM 193 CA GLU A 13 -4.120 10.148 -3.566 1.00 10.00 C ATOM 194 C GLU A 13 -4.016 8.625 -3.726 1.00 10.00 C ATOM 195 O GLU A 13 -4.393 7.885 -2.815 1.00 10.00 O ATOM 196 CB GLU A 13 -5.276 10.723 -4.406 1.00 10.00 C ATOM 197 CG GLU A 13 -6.643 10.155 -3.995 1.00 10.00 C ATOM 198 CD GLU A 13 -7.777 10.767 -4.826 1.00 10.00 C ATOM 199 OE1 GLU A 13 -8.077 10.200 -5.902 1.00 10.00 O ATOM 200 OE2 GLU A 13 -8.343 11.786 -4.372 1.00 10.00 O ATOM 0 H GLU A 13 -2.964 11.464 -4.718 1.00 10.00 H new ATOM 0 HA GLU A 13 -4.320 10.336 -2.511 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -5.291 11.808 -4.302 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -5.098 10.506 -5.459 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -6.641 9.072 -4.121 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -6.818 10.353 -2.937 1.00 10.00 H new ATOM 207 N ILE A 14 -3.433 8.146 -4.833 1.00 10.00 N ATOM 208 CA ILE A 14 -3.171 6.716 -5.043 1.00 10.00 C ATOM 209 C ILE A 14 -2.148 6.197 -4.018 1.00 10.00 C ATOM 210 O ILE A 14 -2.373 5.140 -3.425 1.00 10.00 O ATOM 211 CB ILE A 14 -2.751 6.469 -6.510 1.00 10.00 C ATOM 212 CG1 ILE A 14 -3.972 6.695 -7.439 1.00 10.00 C ATOM 213 CG2 ILE A 14 -2.185 5.049 -6.712 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.640 6.787 -8.936 1.00 10.00 C ATOM 0 H ILE A 14 -3.130 8.738 -5.607 1.00 10.00 H new ATOM 0 HA ILE A 14 -4.083 6.143 -4.875 1.00 10.00 H new ATOM 0 HB ILE A 14 -1.958 7.174 -6.761 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.680 5.880 -7.289 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.475 7.614 -7.136 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -1.902 4.915 -7.756 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.309 4.913 -6.078 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -2.944 4.313 -6.445 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.557 6.945 -9.503 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -2.959 7.621 -9.107 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -3.168 5.860 -9.262 1.00 10.00 H new ATOM 226 N SER A 15 -1.070 6.946 -3.739 1.00 10.00 N ATOM 227 CA SER A 15 -0.119 6.587 -2.678 1.00 10.00 C ATOM 228 C SER A 15 -0.782 6.486 -1.297 1.00 10.00 C ATOM 229 O SER A 15 -0.481 5.570 -0.531 1.00 10.00 O ATOM 230 CB SER A 15 1.062 7.569 -2.650 1.00 10.00 C ATOM 231 OG SER A 15 0.773 8.762 -1.946 1.00 10.00 O ATOM 0 H SER A 15 -0.836 7.806 -4.235 1.00 10.00 H new ATOM 0 HA SER A 15 0.258 5.592 -2.916 1.00 10.00 H new ATOM 0 HB2 SER A 15 1.922 7.082 -2.190 1.00 10.00 H new ATOM 0 HB3 SER A 15 1.345 7.817 -3.673 1.00 10.00 H new ATOM 0 HG SER A 15 -0.077 9.132 -2.264 1.00 10.00 H new ATOM 237 N SER A 16 -1.736 7.380 -1.010 1.00 10.00 N ATOM 238 CA SER A 16 -2.507 7.406 0.227 1.00 10.00 C ATOM 239 C SER A 16 -3.489 6.237 0.290 1.00 10.00 C ATOM 240 O SER A 16 -3.570 5.581 1.329 1.00 10.00 O ATOM 241 CB SER A 16 -3.234 8.748 0.343 1.00 10.00 C ATOM 242 OG SER A 16 -3.868 8.847 1.602 1.00 10.00 O ATOM 0 H SER A 16 -1.996 8.126 -1.656 1.00 10.00 H new ATOM 0 HA SER A 16 -1.827 7.298 1.072 1.00 10.00 H new ATOM 0 HB2 SER A 16 -2.525 9.567 0.218 1.00 10.00 H new ATOM 0 HB3 SER A 16 -3.972 8.841 -0.453 1.00 10.00 H new ATOM 0 HG SER A 16 -4.330 9.709 1.669 1.00 10.00 H new ATOM 248 N PHE A 17 -4.178 5.909 -0.814 1.00 10.00 N ATOM 249 CA PHE A 17 -5.024 4.714 -0.898 1.00 10.00 C ATOM 250 C PHE A 17 -4.216 3.433 -0.636 1.00 10.00 C ATOM 251 O PHE A 17 -4.654 2.569 0.130 1.00 10.00 O ATOM 252 CB PHE A 17 -5.701 4.673 -2.278 1.00 10.00 C ATOM 253 CG PHE A 17 -6.376 3.353 -2.607 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.607 3.019 -2.011 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.751 2.437 -3.478 1.00 10.00 C ATOM 256 CE1 PHE A 17 -8.208 1.776 -2.282 1.00 10.00 C ATOM 257 CE2 PHE A 17 -6.351 1.193 -3.746 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.579 0.863 -3.147 1.00 10.00 C ATOM 0 H PHE A 17 -4.163 6.464 -1.670 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.790 4.766 -0.124 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.444 5.469 -2.329 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.953 4.885 -3.042 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -8.091 3.718 -1.345 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -4.809 2.691 -3.941 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -9.153 1.523 -1.825 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -5.869 0.492 -4.411 1.00 10.00 H new ATOM 0 HZ PHE A 17 -8.040 -0.092 -3.351 1.00 10.00 H new ATOM 268 N LEU A 18 -3.007 3.339 -1.205 1.00 10.00 N ATOM 269 CA LEU A 18 -2.103 2.214 -0.983 1.00 10.00 C ATOM 270 C LEU A 18 -1.597 2.167 0.466 1.00 10.00 C ATOM 271 O LEU A 18 -1.738 1.128 1.109 1.00 10.00 O ATOM 272 CB LEU A 18 -0.948 2.285 -1.998 1.00 10.00 C ATOM 273 CG LEU A 18 -1.390 1.975 -3.442 1.00 10.00 C ATOM 274 CD1 LEU A 18 -0.276 2.352 -4.422 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.739 0.496 -3.627 1.00 10.00 C ATOM 0 H LEU A 18 -2.631 4.048 -1.835 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.649 1.283 -1.140 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.505 3.280 -1.966 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -0.170 1.581 -1.704 1.00 10.00 H new ATOM 0 HG LEU A 18 -2.284 2.565 -3.642 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -0.596 2.130 -5.440 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -0.059 3.417 -4.334 1.00 10.00 H new ATOM 0 HD13 LEU A 18 0.622 1.778 -4.191 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -2.045 0.321 -4.658 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -0.866 -0.115 -3.399 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.555 0.228 -2.956 1.00 10.00 H new ATOM 287 N HIS A 19 -1.083 3.276 1.016 1.00 10.00 N ATOM 288 CA HIS A 19 -0.631 3.326 2.409 1.00 10.00 C ATOM 289 C HIS A 19 -1.757 2.955 3.384 1.00 10.00 C ATOM 290 O HIS A 19 -1.557 2.081 4.228 1.00 10.00 O ATOM 291 CB HIS A 19 -0.056 4.717 2.736 1.00 10.00 C ATOM 292 CG HIS A 19 0.059 4.992 4.222 1.00 10.00 C ATOM 293 ND1 HIS A 19 -0.413 6.106 4.876 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.476 4.115 5.189 1.00 10.00 C ATOM 295 CE1 HIS A 19 -0.298 5.895 6.199 1.00 10.00 C ATOM 296 NE2 HIS A 19 0.218 4.680 6.442 1.00 10.00 N ATOM 0 H HIS A 19 -0.970 4.155 0.511 1.00 10.00 H new ATOM 0 HA HIS A 19 0.159 2.585 2.531 1.00 10.00 H new ATOM 0 HB2 HIS A 19 0.930 4.810 2.281 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.690 5.479 2.282 1.00 10.00 H new ATOM 0 HD1 HIS A 19 -0.786 6.946 4.434 1.00 10.00 H new ATOM 0 HD2 HIS A 19 0.928 3.150 5.013 1.00 10.00 H new ATOM 0 HE1 HIS A 19 -0.582 6.605 6.961 1.00 10.00 H new ATOM 304 N ASN A 20 -2.941 3.568 3.249 1.00 10.00 N ATOM 305 CA ASN A 20 -4.074 3.249 4.116 1.00 10.00 C ATOM 306 C ASN A 20 -4.488 1.780 3.966 1.00 10.00 C ATOM 307 O ASN A 20 -4.749 1.138 4.976 1.00 10.00 O ATOM 308 CB ASN A 20 -5.245 4.212 3.865 1.00 10.00 C ATOM 309 CG ASN A 20 -4.997 5.583 4.482 1.00 10.00 C ATOM 310 OD1 ASN A 20 -5.238 5.812 5.655 1.00 10.00 O ATOM 311 ND2 ASN A 20 -4.502 6.533 3.719 1.00 10.00 N ATOM 0 H ASN A 20 -3.135 4.284 2.549 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.763 3.386 5.152 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -5.402 4.320 2.792 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -6.159 3.787 4.280 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -4.321 7.458 4.109 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -4.299 6.345 2.737 1.00 10.00 H new ATOM 318 N THR A 21 -4.439 1.212 2.753 1.00 10.00 N ATOM 319 CA THR A 21 -4.729 -0.213 2.532 1.00 10.00 C ATOM 320 C THR A 21 -3.754 -1.119 3.296 1.00 10.00 C ATOM 321 O THR A 21 -4.201 -2.048 3.968 1.00 10.00 O ATOM 322 CB THR A 21 -4.713 -0.556 1.032 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.669 0.222 0.348 1.00 10.00 O ATOM 324 CG2 THR A 21 -5.063 -2.022 0.769 1.00 10.00 C ATOM 0 H THR A 21 -4.199 1.722 1.903 1.00 10.00 H new ATOM 0 HA THR A 21 -5.731 -0.398 2.920 1.00 10.00 H new ATOM 0 HB THR A 21 -3.701 -0.354 0.682 1.00 10.00 H new ATOM 0 HG1 THR A 21 -5.225 0.984 -0.080 1.00 10.00 H new ATOM 0 HG21 THR A 21 -5.039 -2.215 -0.303 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.339 -2.664 1.270 1.00 10.00 H new ATOM 0 HG23 THR A 21 -6.061 -2.232 1.153 1.00 10.00 H new ATOM 332 N ILE A 22 -2.441 -0.843 3.250 1.00 10.00 N ATOM 333 CA ILE A 22 -1.446 -1.602 4.030 1.00 10.00 C ATOM 334 C ILE A 22 -1.674 -1.401 5.533 1.00 10.00 C ATOM 335 O ILE A 22 -1.704 -2.380 6.275 1.00 10.00 O ATOM 336 CB ILE A 22 -0.005 -1.199 3.650 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.265 -1.436 2.159 1.00 10.00 C ATOM 338 CG2 ILE A 22 1.073 -1.972 4.438 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.684 -1.056 1.753 1.00 10.00 C ATOM 0 H ILE A 22 -2.041 -0.098 2.680 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.574 -2.658 3.791 1.00 10.00 H new ATOM 0 HB ILE A 22 0.063 -0.140 3.899 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.093 -2.487 1.925 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.445 -0.857 1.568 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.062 -1.640 4.122 1.00 10.00 H new ATOM 0 HG22 ILE A 22 0.950 -1.783 5.504 1.00 10.00 H new ATOM 0 HG23 ILE A 22 0.969 -3.040 4.245 1.00 10.00 H new ATOM 0 HD11 ILE A 22 1.820 -1.244 0.688 1.00 10.00 H new ATOM 0 HD12 ILE A 22 1.851 0.001 1.959 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.397 -1.653 2.321 1.00 10.00 H new ATOM 351 N SER A 23 -1.853 -0.157 5.989 1.00 10.00 N ATOM 352 CA SER A 23 -2.056 0.155 7.409 1.00 10.00 C ATOM 353 C SER A 23 -3.334 -0.486 7.970 1.00 10.00 C ATOM 354 O SER A 23 -3.286 -1.098 9.038 1.00 10.00 O ATOM 355 CB SER A 23 -2.031 1.676 7.611 1.00 10.00 C ATOM 356 OG SER A 23 -0.699 2.119 7.414 1.00 10.00 O ATOM 0 H SER A 23 -1.861 0.664 5.384 1.00 10.00 H new ATOM 0 HA SER A 23 -1.236 -0.282 7.978 1.00 10.00 H new ATOM 0 HB2 SER A 23 -2.704 2.166 6.907 1.00 10.00 H new ATOM 0 HB3 SER A 23 -2.375 1.934 8.613 1.00 10.00 H new ATOM 0 HG SER A 23 -0.701 3.074 7.195 1.00 10.00 H new ATOM 362 N ASP A 24 -4.449 -0.449 7.229 1.00 10.00 N ATOM 363 CA ASP A 24 -5.677 -1.167 7.580 1.00 10.00 C ATOM 364 C ASP A 24 -5.484 -2.689 7.533 1.00 10.00 C ATOM 365 O ASP A 24 -5.979 -3.388 8.419 1.00 10.00 O ATOM 366 CB ASP A 24 -6.832 -0.759 6.646 1.00 10.00 C ATOM 367 CG ASP A 24 -7.370 0.655 6.899 1.00 10.00 C ATOM 368 OD1 ASP A 24 -7.332 1.092 8.073 1.00 10.00 O ATOM 369 OD2 ASP A 24 -7.879 1.257 5.927 1.00 10.00 O ATOM 0 H ASP A 24 -4.523 0.085 6.363 1.00 10.00 H new ATOM 0 HA ASP A 24 -5.927 -0.890 8.604 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.491 -0.827 5.613 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.648 -1.473 6.761 1.00 10.00 H new ATOM 374 N PHE A 25 -4.725 -3.221 6.559 1.00 10.00 N ATOM 375 CA PHE A 25 -4.384 -4.645 6.545 1.00 10.00 C ATOM 376 C PHE A 25 -3.581 -5.031 7.791 1.00 10.00 C ATOM 377 O PHE A 25 -3.927 -6.006 8.451 1.00 10.00 O ATOM 378 CB PHE A 25 -3.653 -5.045 5.254 1.00 10.00 C ATOM 379 CG PHE A 25 -3.461 -6.547 5.123 1.00 10.00 C ATOM 380 CD1 PHE A 25 -2.408 -7.198 5.798 1.00 10.00 C ATOM 381 CD2 PHE A 25 -4.356 -7.304 4.344 1.00 10.00 C ATOM 382 CE1 PHE A 25 -2.271 -8.594 5.720 1.00 10.00 C ATOM 383 CE2 PHE A 25 -4.223 -8.702 4.270 1.00 10.00 C ATOM 384 CZ PHE A 25 -3.187 -9.348 4.967 1.00 10.00 C ATOM 0 H PHE A 25 -4.341 -2.687 5.779 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.319 -5.206 6.566 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.217 -4.680 4.395 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.679 -4.556 5.228 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.703 -6.621 6.378 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -5.148 -6.809 3.801 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -1.462 -9.087 6.238 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -4.917 -9.280 3.677 1.00 10.00 H new ATOM 0 HZ PHE A 25 -3.095 -10.423 4.924 1.00 10.00 H new ATOM 394 N ILE A 26 -2.571 -4.245 8.178 1.00 10.00 N ATOM 395 CA ILE A 26 -1.781 -4.483 9.378 1.00 10.00 C ATOM 396 C ILE A 26 -2.693 -4.459 10.610 1.00 10.00 C ATOM 397 O ILE A 26 -2.673 -5.420 11.380 1.00 10.00 O ATOM 398 CB ILE A 26 -0.635 -3.452 9.420 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.426 -3.825 8.358 1.00 10.00 C ATOM 400 CG2 ILE A 26 -0.025 -3.364 10.823 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.460 -2.721 8.121 1.00 10.00 C ATOM 0 H ILE A 26 -2.280 -3.418 7.657 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.321 -5.471 9.370 1.00 10.00 H new ATOM 0 HB ILE A 26 -1.030 -2.464 9.186 1.00 10.00 H new ATOM 0 HG12 ILE A 26 0.940 -4.733 8.672 1.00 10.00 H new ATOM 0 HG13 ILE A 26 -0.076 -4.051 7.417 1.00 10.00 H new ATOM 0 HG21 ILE A 26 0.781 -2.630 10.824 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.793 -3.061 11.535 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.372 -4.338 11.109 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.174 -3.048 7.365 1.00 10.00 H new ATOM 0 HD12 ILE A 26 0.956 -1.818 7.778 1.00 10.00 H new ATOM 0 HD13 ILE A 26 1.987 -2.511 9.051 1.00 10.00 H new ATOM 413 N LEU A 27 -3.567 -3.452 10.744 1.00 10.00 N ATOM 414 CA LEU A 27 -4.569 -3.390 11.814 1.00 10.00 C ATOM 415 C LEU A 27 -5.566 -4.564 11.799 1.00 10.00 C ATOM 416 O LEU A 27 -6.056 -4.940 12.864 1.00 10.00 O ATOM 417 CB LEU A 27 -5.304 -2.032 11.766 1.00 10.00 C ATOM 418 CG LEU A 27 -4.758 -0.944 12.714 1.00 10.00 C ATOM 419 CD1 LEU A 27 -5.023 -1.295 14.183 1.00 10.00 C ATOM 420 CD2 LEU A 27 -3.262 -0.662 12.537 1.00 10.00 C ATOM 0 H LEU A 27 -3.598 -2.654 10.109 1.00 10.00 H new ATOM 0 HA LEU A 27 -4.030 -3.481 12.757 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -5.263 -1.653 10.745 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -6.355 -2.200 12.001 1.00 10.00 H new ATOM 0 HG LEU A 27 -5.300 -0.039 12.439 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -4.625 -0.507 14.823 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -6.097 -1.388 14.347 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -4.536 -2.240 14.425 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -2.953 0.114 13.238 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -2.695 -1.573 12.730 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -3.073 -0.326 11.517 1.00 10.00 H new ATOM 432 N LYS A 28 -5.831 -5.184 10.636 1.00 10.00 N ATOM 433 CA LYS A 28 -6.621 -6.422 10.525 1.00 10.00 C ATOM 434 C LYS A 28 -5.776 -7.709 10.575 1.00 10.00 C ATOM 435 O LYS A 28 -6.329 -8.795 10.382 1.00 10.00 O ATOM 436 CB LYS A 28 -7.611 -6.341 9.340 1.00 10.00 C ATOM 437 CG LYS A 28 -7.104 -6.732 7.940 1.00 10.00 C ATOM 438 CD LYS A 28 -7.982 -7.760 7.216 1.00 10.00 C ATOM 439 CE LYS A 28 -7.882 -9.136 7.883 1.00 10.00 C ATOM 440 NZ LYS A 28 -8.695 -10.147 7.173 1.00 10.00 N ATOM 0 H LYS A 28 -5.499 -4.835 9.737 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.229 -6.501 11.426 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -8.464 -6.978 9.575 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -7.982 -5.318 9.286 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -7.036 -5.833 7.327 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -6.095 -7.133 8.031 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -9.019 -7.425 7.220 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -7.675 -7.835 6.173 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -6.840 -9.456 7.904 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -8.214 -9.064 8.919 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -8.603 -11.065 7.652 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -9.693 -9.854 7.175 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -8.362 -10.234 6.192 1.00 10.00 H new ATOM 454 N ARG A 29 -4.466 -7.611 10.857 1.00 10.00 N ATOM 455 CA ARG A 29 -3.544 -8.754 10.964 1.00 10.00 C ATOM 456 C ARG A 29 -2.838 -8.867 12.324 1.00 10.00 C ATOM 457 O ARG A 29 -2.693 -9.989 12.803 1.00 10.00 O ATOM 458 CB ARG A 29 -2.526 -8.692 9.803 1.00 10.00 C ATOM 459 CG ARG A 29 -2.120 -10.065 9.256 1.00 10.00 C ATOM 460 CD ARG A 29 -3.278 -10.761 8.522 1.00 10.00 C ATOM 461 NE ARG A 29 -3.689 -12.004 9.200 1.00 10.00 N ATOM 462 CZ ARG A 29 -3.188 -13.218 8.989 1.00 10.00 C ATOM 463 NH1 ARG A 29 -2.266 -13.468 8.093 1.00 10.00 N ATOM 464 NH2 ARG A 29 -3.626 -14.232 9.696 1.00 10.00 N ATOM 0 H ARG A 29 -4.008 -6.714 11.021 1.00 10.00 H new ATOM 0 HA ARG A 29 -4.145 -9.661 10.889 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -2.951 -8.100 8.992 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -1.632 -8.170 10.144 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -1.277 -9.948 8.574 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -1.781 -10.696 10.077 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -4.129 -10.083 8.460 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -2.976 -10.988 7.499 1.00 10.00 H new ATOM 0 HE ARG A 29 -4.429 -11.925 9.898 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -1.897 -12.712 7.516 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -1.917 -14.419 7.972 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -4.347 -14.087 10.403 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -3.246 -15.165 9.539 1.00 10.00 H new ATOM 478 N VAL A 30 -2.430 -7.753 12.952 1.00 10.00 N ATOM 479 CA VAL A 30 -1.685 -7.706 14.232 1.00 10.00 C ATOM 480 C VAL A 30 -2.069 -6.432 15.010 1.00 10.00 C ATOM 481 O VAL A 30 -2.479 -5.441 14.407 1.00 10.00 O ATOM 482 CB VAL A 30 -0.157 -7.744 13.984 1.00 10.00 C ATOM 483 CG1 VAL A 30 0.618 -7.958 15.287 1.00 10.00 C ATOM 484 CG2 VAL A 30 0.287 -8.877 13.053 1.00 10.00 C ATOM 0 H VAL A 30 -2.614 -6.824 12.573 1.00 10.00 H new ATOM 0 HA VAL A 30 -1.952 -8.582 14.823 1.00 10.00 H new ATOM 0 HB VAL A 30 0.059 -6.778 13.528 1.00 10.00 H new ATOM 0 HG11 VAL A 30 1.687 -7.979 15.075 1.00 10.00 H new ATOM 0 HG12 VAL A 30 0.401 -7.143 15.977 1.00 10.00 H new ATOM 0 HG13 VAL A 30 0.318 -8.904 15.737 1.00 10.00 H new ATOM 0 HG21 VAL A 30 1.369 -8.841 12.926 1.00 10.00 H new ATOM 0 HG22 VAL A 30 0.005 -9.836 13.487 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -0.196 -8.761 12.083 1.00 10.00 H new ATOM 494 N SER A 31 -1.970 -6.429 16.350 1.00 10.00 N ATOM 495 CA SER A 31 -2.539 -5.334 17.147 1.00 10.00 C ATOM 496 C SER A 31 -1.635 -4.102 17.303 1.00 10.00 C ATOM 497 O SER A 31 -0.467 -4.188 17.671 1.00 10.00 O ATOM 498 CB SER A 31 -2.937 -5.836 18.539 1.00 10.00 C ATOM 499 OG SER A 31 -3.680 -4.826 19.203 1.00 10.00 O ATOM 0 H SER A 31 -1.510 -7.159 16.894 1.00 10.00 H new ATOM 0 HA SER A 31 -3.409 -5.005 16.579 1.00 10.00 H new ATOM 0 HB2 SER A 31 -3.531 -6.746 18.455 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.047 -6.089 19.116 1.00 10.00 H new ATOM 0 HG SER A 31 -3.939 -5.142 20.094 1.00 10.00 H new ATOM 505 N ALA A 32 -2.224 -2.911 17.160 1.00 10.00 N ATOM 506 CA ALA A 32 -1.608 -1.636 17.545 1.00 10.00 C ATOM 507 C ALA A 32 -1.059 -1.644 18.994 1.00 10.00 C ATOM 508 O ALA A 32 -0.174 -0.859 19.315 1.00 10.00 O ATOM 509 CB ALA A 32 -2.619 -0.508 17.328 1.00 10.00 C ATOM 0 H ALA A 32 -3.159 -2.803 16.767 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.738 -1.472 16.909 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -2.169 0.443 17.612 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -2.907 -0.474 16.277 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -3.503 -0.689 17.940 1.00 10.00 H new ATOM 515 N LYS A 33 -1.595 -2.504 19.879 1.00 10.00 N ATOM 516 CA LYS A 33 -1.109 -2.707 21.256 1.00 10.00 C ATOM 517 C LYS A 33 0.246 -3.436 21.364 1.00 10.00 C ATOM 518 O LYS A 33 0.812 -3.469 22.452 1.00 10.00 O ATOM 519 CB LYS A 33 -2.180 -3.457 22.066 1.00 10.00 C ATOM 520 CG LYS A 33 -3.499 -2.670 22.153 1.00 10.00 C ATOM 521 CD LYS A 33 -4.549 -3.440 22.959 1.00 10.00 C ATOM 522 CE LYS A 33 -5.846 -2.626 23.012 1.00 10.00 C ATOM 523 NZ LYS A 33 -6.906 -3.342 23.758 1.00 10.00 N ATOM 0 H LYS A 33 -2.397 -3.091 19.651 1.00 10.00 H new ATOM 0 HA LYS A 33 -0.931 -1.712 21.664 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -2.367 -4.427 21.606 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -1.805 -3.648 23.072 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -3.318 -1.701 22.618 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -3.877 -2.476 21.149 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -4.735 -4.412 22.501 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -4.183 -3.628 23.968 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -5.653 -1.663 23.485 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -6.189 -2.420 21.998 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -7.770 -2.763 23.775 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -7.106 -4.250 23.291 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -6.587 -3.517 24.732 1.00 10.00 H new ATOM 537 N GLU A 34 0.767 -4.002 20.270 1.00 10.00 N ATOM 538 CA GLU A 34 2.065 -4.705 20.202 1.00 10.00 C ATOM 539 C GLU A 34 2.954 -4.214 19.043 1.00 10.00 C ATOM 540 O GLU A 34 4.176 -4.367 19.096 1.00 10.00 O ATOM 541 CB GLU A 34 1.849 -6.229 20.114 1.00 10.00 C ATOM 542 CG GLU A 34 1.014 -6.620 18.885 1.00 10.00 C ATOM 543 CD GLU A 34 0.706 -8.106 18.748 1.00 10.00 C ATOM 544 OE1 GLU A 34 1.607 -8.923 19.062 1.00 10.00 O ATOM 545 OE2 GLU A 34 -0.433 -8.387 18.297 1.00 10.00 O ATOM 0 H GLU A 34 0.284 -3.986 19.372 1.00 10.00 H new ATOM 0 HA GLU A 34 2.598 -4.471 21.123 1.00 10.00 H new ATOM 0 HB2 GLU A 34 2.816 -6.731 20.070 1.00 10.00 H new ATOM 0 HB3 GLU A 34 1.349 -6.578 21.018 1.00 10.00 H new ATOM 0 HG2 GLU A 34 0.072 -6.073 18.918 1.00 10.00 H new ATOM 0 HG3 GLU A 34 1.542 -6.292 17.989 1.00 10.00 H new ATOM 552 N ILE A 35 2.354 -3.596 18.016 1.00 10.00 N ATOM 553 CA ILE A 35 3.052 -2.860 16.960 1.00 10.00 C ATOM 554 C ILE A 35 3.596 -1.577 17.601 1.00 10.00 C ATOM 555 O ILE A 35 2.833 -0.688 17.973 1.00 10.00 O ATOM 556 CB ILE A 35 2.084 -2.542 15.794 1.00 10.00 C ATOM 557 CG1 ILE A 35 1.476 -3.811 15.147 1.00 10.00 C ATOM 558 CG2 ILE A 35 2.749 -1.653 14.724 1.00 10.00 C ATOM 559 CD1 ILE A 35 2.375 -4.512 14.133 1.00 10.00 C ATOM 0 H ILE A 35 1.341 -3.596 17.896 1.00 10.00 H new ATOM 0 HA ILE A 35 3.867 -3.448 16.539 1.00 10.00 H new ATOM 0 HB ILE A 35 1.260 -1.985 16.239 1.00 10.00 H new ATOM 0 HG12 ILE A 35 1.225 -4.518 15.937 1.00 10.00 H new ATOM 0 HG13 ILE A 35 0.543 -3.538 14.655 1.00 10.00 H new ATOM 0 HG21 ILE A 35 2.037 -1.453 13.923 1.00 10.00 H new ATOM 0 HG22 ILE A 35 3.061 -0.711 15.176 1.00 10.00 H new ATOM 0 HG23 ILE A 35 3.620 -2.165 14.315 1.00 10.00 H new ATOM 0 HD11 ILE A 35 1.862 -5.388 13.736 1.00 10.00 H new ATOM 0 HD12 ILE A 35 2.607 -3.827 13.318 1.00 10.00 H new ATOM 0 HD13 ILE A 35 3.299 -4.823 14.620 1.00 10.00 H new ATOM 571 N VAL A 36 4.919 -1.492 17.736 1.00 10.00 N ATOM 572 CA VAL A 36 5.628 -0.310 18.235 1.00 10.00 C ATOM 573 C VAL A 36 5.523 0.823 17.215 1.00 10.00 C ATOM 574 O VAL A 36 5.185 1.944 17.589 1.00 10.00 O ATOM 575 CB VAL A 36 7.102 -0.679 18.518 1.00 10.00 C ATOM 576 CG1 VAL A 36 8.019 0.541 18.660 1.00 10.00 C ATOM 577 CG2 VAL A 36 7.195 -1.522 19.796 1.00 10.00 C ATOM 0 H VAL A 36 5.545 -2.261 17.496 1.00 10.00 H new ATOM 0 HA VAL A 36 5.175 0.033 19.165 1.00 10.00 H new ATOM 0 HB VAL A 36 7.446 -1.245 17.652 1.00 10.00 H new ATOM 0 HG11 VAL A 36 9.038 0.209 18.858 1.00 10.00 H new ATOM 0 HG12 VAL A 36 7.999 1.121 17.737 1.00 10.00 H new ATOM 0 HG13 VAL A 36 7.673 1.162 19.486 1.00 10.00 H new ATOM 0 HG21 VAL A 36 8.237 -1.778 19.988 1.00 10.00 H new ATOM 0 HG22 VAL A 36 6.800 -0.952 20.637 1.00 10.00 H new ATOM 0 HG23 VAL A 36 6.614 -2.436 19.672 1.00 10.00 H new ATOM 587 N ASP A 37 5.783 0.523 15.937 1.00 10.00 N ATOM 588 CA ASP A 37 5.609 1.459 14.822 1.00 10.00 C ATOM 589 C ASP A 37 5.568 0.723 13.464 1.00 10.00 C ATOM 590 O ASP A 37 5.783 -0.492 13.392 1.00 10.00 O ATOM 591 CB ASP A 37 6.733 2.524 14.850 1.00 10.00 C ATOM 592 CG ASP A 37 6.274 3.897 14.340 1.00 10.00 C ATOM 593 OD1 ASP A 37 5.293 3.930 13.561 1.00 10.00 O ATOM 594 OD2 ASP A 37 6.910 4.898 14.739 1.00 10.00 O ATOM 0 H ASP A 37 6.126 -0.392 15.645 1.00 10.00 H new ATOM 0 HA ASP A 37 4.648 1.961 14.940 1.00 10.00 H new ATOM 0 HB2 ASP A 37 7.103 2.627 15.870 1.00 10.00 H new ATOM 0 HB3 ASP A 37 7.569 2.178 14.242 1.00 10.00 H new ATOM 599 N ILE A 38 5.351 1.470 12.377 1.00 10.00 N ATOM 600 CA ILE A 38 5.417 0.986 10.992 1.00 10.00 C ATOM 601 C ILE A 38 6.058 2.024 10.065 1.00 10.00 C ATOM 602 O ILE A 38 5.732 3.207 10.122 1.00 10.00 O ATOM 603 CB ILE A 38 4.017 0.591 10.446 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.926 1.670 10.666 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.590 -0.760 11.032 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.549 1.308 10.090 1.00 10.00 C ATOM 0 H ILE A 38 5.117 2.461 12.438 1.00 10.00 H new ATOM 0 HA ILE A 38 6.043 0.094 11.008 1.00 10.00 H new ATOM 0 HB ILE A 38 4.117 0.506 9.364 1.00 10.00 H new ATOM 0 HG12 ILE A 38 2.822 1.851 11.736 1.00 10.00 H new ATOM 0 HG13 ILE A 38 3.260 2.604 10.215 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.608 -1.030 10.645 1.00 10.00 H new ATOM 0 HG22 ILE A 38 4.314 -1.524 10.750 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.544 -0.687 12.119 1.00 10.00 H new ATOM 0 HD11 ILE A 38 0.847 2.118 10.289 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.633 1.157 9.014 1.00 10.00 H new ATOM 0 HD13 ILE A 38 1.188 0.392 10.558 1.00 10.00 H new ATOM 618 N ASP A 39 6.924 1.558 9.161 1.00 10.00 N ATOM 619 CA ASP A 39 7.416 2.361 8.036 1.00 10.00 C ATOM 620 C ASP A 39 6.715 1.860 6.778 1.00 10.00 C ATOM 621 O ASP A 39 6.804 0.677 6.456 1.00 10.00 O ATOM 622 CB ASP A 39 8.938 2.249 7.839 1.00 10.00 C ATOM 623 CG ASP A 39 9.773 3.118 8.778 1.00 10.00 C ATOM 624 OD1 ASP A 39 9.421 4.307 8.932 1.00 10.00 O ATOM 625 OD2 ASP A 39 10.798 2.598 9.279 1.00 10.00 O ATOM 0 H ASP A 39 7.305 0.612 9.188 1.00 10.00 H new ATOM 0 HA ASP A 39 7.202 3.410 8.242 1.00 10.00 H new ATOM 0 HB2 ASP A 39 9.232 1.208 7.974 1.00 10.00 H new ATOM 0 HB3 ASP A 39 9.177 2.517 6.810 1.00 10.00 H new ATOM 630 N ILE A 40 6.033 2.748 6.050 1.00 10.00 N ATOM 631 CA ILE A 40 5.433 2.434 4.752 1.00 10.00 C ATOM 632 C ILE A 40 5.836 3.524 3.767 1.00 10.00 C ATOM 633 O ILE A 40 5.584 4.706 3.991 1.00 10.00 O ATOM 634 CB ILE A 40 3.903 2.244 4.855 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.591 0.940 5.619 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.290 2.139 3.444 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.160 0.816 6.125 1.00 10.00 C ATOM 0 H ILE A 40 5.881 3.712 6.347 1.00 10.00 H new ATOM 0 HA ILE A 40 5.807 1.477 4.388 1.00 10.00 H new ATOM 0 HB ILE A 40 3.480 3.099 5.382 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.804 0.094 4.965 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.269 0.864 6.469 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.211 2.005 3.525 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.502 3.051 2.887 1.00 10.00 H new ATOM 0 HG23 ILE A 40 3.723 1.286 2.922 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.040 -0.133 6.648 1.00 10.00 H new ATOM 0 HD12 ILE A 40 1.943 1.637 6.809 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.471 0.855 5.281 1.00 10.00 H new ATOM 649 N THR A 41 6.477 3.106 2.675 1.00 10.00 N ATOM 650 CA THR A 41 6.874 3.966 1.564 1.00 10.00 C ATOM 651 C THR A 41 6.199 3.478 0.287 1.00 10.00 C ATOM 652 O THR A 41 6.336 2.313 -0.093 1.00 10.00 O ATOM 653 CB THR A 41 8.402 3.980 1.411 1.00 10.00 C ATOM 654 OG1 THR A 41 8.982 4.450 2.605 1.00 10.00 O ATOM 655 CG2 THR A 41 8.874 4.911 0.294 1.00 10.00 C ATOM 0 H THR A 41 6.741 2.131 2.537 1.00 10.00 H new ATOM 0 HA THR A 41 6.555 4.989 1.764 1.00 10.00 H new ATOM 0 HB THR A 41 8.702 2.959 1.174 1.00 10.00 H new ATOM 0 HG1 THR A 41 9.958 4.459 2.513 1.00 10.00 H new ATOM 0 HG21 THR A 41 9.962 4.881 0.231 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.446 4.587 -0.655 1.00 10.00 H new ATOM 0 HG23 THR A 41 8.551 5.930 0.508 1.00 10.00 H new ATOM 663 N VAL A 42 5.505 4.392 -0.393 1.00 10.00 N ATOM 664 CA VAL A 42 4.980 4.188 -1.741 1.00 10.00 C ATOM 665 C VAL A 42 5.701 5.178 -2.647 1.00 10.00 C ATOM 666 O VAL A 42 5.749 6.372 -2.352 1.00 10.00 O ATOM 667 CB VAL A 42 3.454 4.393 -1.806 1.00 10.00 C ATOM 668 CG1 VAL A 42 2.949 4.178 -3.241 1.00 10.00 C ATOM 669 CG2 VAL A 42 2.693 3.429 -0.886 1.00 10.00 C ATOM 0 H VAL A 42 5.289 5.313 -0.013 1.00 10.00 H new ATOM 0 HA VAL A 42 5.156 3.160 -2.059 1.00 10.00 H new ATOM 0 HB VAL A 42 3.266 5.414 -1.475 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.870 4.326 -3.273 1.00 10.00 H new ATOM 0 HG12 VAL A 42 3.433 4.892 -3.908 1.00 10.00 H new ATOM 0 HG13 VAL A 42 3.186 3.164 -3.562 1.00 10.00 H new ATOM 0 HG21 VAL A 42 1.622 3.615 -0.970 1.00 10.00 H new ATOM 0 HG22 VAL A 42 2.906 2.401 -1.180 1.00 10.00 H new ATOM 0 HG23 VAL A 42 3.009 3.585 0.145 1.00 10.00 H new ATOM 679 N LEU A 43 6.246 4.675 -3.750 1.00 10.00 N ATOM 680 CA LEU A 43 6.883 5.457 -4.801 1.00 10.00 C ATOM 681 C LEU A 43 6.095 5.252 -6.089 1.00 10.00 C ATOM 682 O LEU A 43 5.632 4.153 -6.388 1.00 10.00 O ATOM 683 CB LEU A 43 8.358 5.063 -4.981 1.00 10.00 C ATOM 684 CG LEU A 43 9.225 5.187 -3.718 1.00 10.00 C ATOM 685 CD1 LEU A 43 10.629 4.645 -3.995 1.00 10.00 C ATOM 686 CD2 LEU A 43 9.345 6.630 -3.218 1.00 10.00 C ATOM 0 H LEU A 43 6.256 3.673 -3.943 1.00 10.00 H new ATOM 0 HA LEU A 43 6.877 6.512 -4.527 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.402 4.032 -5.333 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.792 5.686 -5.763 1.00 10.00 H new ATOM 0 HG LEU A 43 8.729 4.605 -2.941 1.00 10.00 H new ATOM 0 HD11 LEU A 43 11.238 4.736 -3.096 1.00 10.00 H new ATOM 0 HD12 LEU A 43 10.564 3.596 -4.284 1.00 10.00 H new ATOM 0 HD13 LEU A 43 11.087 5.216 -4.803 1.00 10.00 H new ATOM 0 HD21 LEU A 43 9.969 6.655 -2.324 1.00 10.00 H new ATOM 0 HD22 LEU A 43 9.798 7.247 -3.994 1.00 10.00 H new ATOM 0 HD23 LEU A 43 8.354 7.016 -2.980 1.00 10.00 H new ATOM 698 N VAL A 44 5.916 6.336 -6.833 1.00 10.00 N ATOM 699 CA VAL A 44 5.285 6.329 -8.150 1.00 10.00 C ATOM 700 C VAL A 44 6.134 7.201 -9.067 1.00 10.00 C ATOM 701 O VAL A 44 6.548 8.297 -8.694 1.00 10.00 O ATOM 702 CB VAL A 44 3.796 6.718 -8.062 1.00 10.00 C ATOM 703 CG1 VAL A 44 3.538 8.057 -7.363 1.00 10.00 C ATOM 704 CG2 VAL A 44 3.149 6.723 -9.453 1.00 10.00 C ATOM 0 H VAL A 44 6.211 7.265 -6.533 1.00 10.00 H new ATOM 0 HA VAL A 44 5.257 5.328 -8.581 1.00 10.00 H new ATOM 0 HB VAL A 44 3.335 5.951 -7.439 1.00 10.00 H new ATOM 0 HG11 VAL A 44 2.467 8.256 -7.343 1.00 10.00 H new ATOM 0 HG12 VAL A 44 3.918 8.014 -6.342 1.00 10.00 H new ATOM 0 HG13 VAL A 44 4.045 8.855 -7.906 1.00 10.00 H new ATOM 0 HG21 VAL A 44 2.099 7.000 -9.365 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.662 7.443 -10.090 1.00 10.00 H new ATOM 0 HG23 VAL A 44 3.226 5.729 -9.894 1.00 10.00 H new ATOM 714 N GLU A 45 6.438 6.671 -10.250 1.00 10.00 N ATOM 715 CA GLU A 45 7.447 7.204 -11.159 1.00 10.00 C ATOM 716 C GLU A 45 6.992 7.051 -12.615 1.00 10.00 C ATOM 717 O GLU A 45 6.167 6.192 -12.936 1.00 10.00 O ATOM 718 CB GLU A 45 8.751 6.437 -10.863 1.00 10.00 C ATOM 719 CG GLU A 45 9.987 6.922 -11.632 1.00 10.00 C ATOM 720 CD GLU A 45 11.287 6.381 -11.012 1.00 10.00 C ATOM 721 OE1 GLU A 45 11.332 5.164 -10.706 1.00 10.00 O ATOM 722 OE2 GLU A 45 12.221 7.191 -10.833 1.00 10.00 O ATOM 0 H GLU A 45 5.976 5.836 -10.611 1.00 10.00 H new ATOM 0 HA GLU A 45 7.605 8.272 -11.010 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.958 6.505 -9.795 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.593 5.383 -11.091 1.00 10.00 H new ATOM 0 HG2 GLU A 45 9.918 6.602 -12.672 1.00 10.00 H new ATOM 0 HG3 GLU A 45 10.010 8.012 -11.635 1.00 10.00 H new ATOM 729 N TYR A 46 7.537 7.885 -13.508 1.00 10.00 N ATOM 730 CA TYR A 46 7.169 7.882 -14.919 1.00 10.00 C ATOM 731 C TYR A 46 8.430 8.019 -15.777 1.00 10.00 C ATOM 732 O TYR A 46 9.132 9.027 -15.717 1.00 10.00 O ATOM 733 CB TYR A 46 6.146 8.996 -15.196 1.00 10.00 C ATOM 734 CG TYR A 46 5.380 8.735 -16.475 1.00 10.00 C ATOM 735 CD1 TYR A 46 6.006 8.887 -17.726 1.00 10.00 C ATOM 736 CD2 TYR A 46 4.073 8.220 -16.400 1.00 10.00 C ATOM 737 CE1 TYR A 46 5.365 8.420 -18.887 1.00 10.00 C ATOM 738 CE2 TYR A 46 3.418 7.775 -17.561 1.00 10.00 C ATOM 739 CZ TYR A 46 4.093 7.812 -18.800 1.00 10.00 C ATOM 740 OH TYR A 46 3.555 7.198 -19.887 1.00 10.00 O ATOM 0 H TYR A 46 8.245 8.579 -13.268 1.00 10.00 H new ATOM 0 HA TYR A 46 6.694 6.937 -15.182 1.00 10.00 H new ATOM 0 HB2 TYR A 46 5.449 9.068 -14.361 1.00 10.00 H new ATOM 0 HB3 TYR A 46 6.660 9.955 -15.267 1.00 10.00 H new ATOM 0 HD1 TYR A 46 6.974 9.360 -17.794 1.00 10.00 H new ATOM 0 HD2 TYR A 46 3.571 8.166 -15.446 1.00 10.00 H new ATOM 0 HE1 TYR A 46 5.846 8.526 -19.848 1.00 10.00 H new ATOM 0 HE2 TYR A 46 2.404 7.407 -17.505 1.00 10.00 H new ATOM 0 HH TYR A 46 4.272 6.822 -20.439 1.00 10.00 H new ATOM 750 N THR A 47 8.789 6.971 -16.521 1.00 10.00 N ATOM 751 CA THR A 47 9.863 7.018 -17.529 1.00 10.00 C ATOM 752 C THR A 47 9.367 6.396 -18.830 1.00 10.00 C ATOM 753 O THR A 47 9.511 5.193 -19.024 1.00 10.00 O ATOM 754 CB THR A 47 11.160 6.415 -16.975 1.00 10.00 C ATOM 755 OG1 THR A 47 11.549 7.198 -15.867 1.00 10.00 O ATOM 756 CG2 THR A 47 12.323 6.462 -17.968 1.00 10.00 C ATOM 0 H THR A 47 8.343 6.057 -16.444 1.00 10.00 H new ATOM 0 HA THR A 47 10.121 8.050 -17.767 1.00 10.00 H new ATOM 0 HB THR A 47 10.957 5.371 -16.735 1.00 10.00 H new ATOM 0 HG1 THR A 47 12.377 6.838 -15.486 1.00 10.00 H new ATOM 0 HG21 THR A 47 13.209 6.020 -17.512 1.00 10.00 H new ATOM 0 HG22 THR A 47 12.058 5.902 -18.865 1.00 10.00 H new ATOM 0 HG23 THR A 47 12.532 7.498 -18.235 1.00 10.00 H new ATOM 764 N ASP A 48 8.705 7.204 -19.672 1.00 10.00 N ATOM 765 CA ASP A 48 7.929 6.810 -20.868 1.00 10.00 C ATOM 766 C ASP A 48 6.683 5.949 -20.549 1.00 10.00 C ATOM 767 O ASP A 48 5.611 6.176 -21.113 1.00 10.00 O ATOM 768 CB ASP A 48 8.844 6.181 -21.933 1.00 10.00 C ATOM 769 CG ASP A 48 8.219 6.243 -23.328 1.00 10.00 C ATOM 770 OD1 ASP A 48 7.942 7.380 -23.772 1.00 10.00 O ATOM 771 OD2 ASP A 48 8.054 5.166 -23.940 1.00 10.00 O ATOM 0 H ASP A 48 8.694 8.214 -19.531 1.00 10.00 H new ATOM 0 HA ASP A 48 7.517 7.726 -21.291 1.00 10.00 H new ATOM 0 HB2 ASP A 48 9.803 6.700 -21.941 1.00 10.00 H new ATOM 0 HB3 ASP A 48 9.046 5.142 -21.671 1.00 10.00 H new ATOM 776 N GLU A 49 6.784 5.088 -19.532 1.00 10.00 N ATOM 777 CA GLU A 49 5.721 4.301 -18.911 1.00 10.00 C ATOM 778 C GLU A 49 5.603 4.639 -17.406 1.00 10.00 C ATOM 779 O GLU A 49 6.553 5.124 -16.782 1.00 10.00 O ATOM 780 CB GLU A 49 6.043 2.814 -19.163 1.00 10.00 C ATOM 781 CG GLU A 49 4.973 1.839 -18.654 1.00 10.00 C ATOM 782 CD GLU A 49 5.225 0.416 -19.164 1.00 10.00 C ATOM 783 OE1 GLU A 49 6.214 -0.198 -18.703 1.00 10.00 O ATOM 784 OE2 GLU A 49 4.424 -0.041 -20.010 1.00 10.00 O ATOM 0 H GLU A 49 7.685 4.911 -19.088 1.00 10.00 H new ATOM 0 HA GLU A 49 4.749 4.535 -19.345 1.00 10.00 H new ATOM 0 HB2 GLU A 49 6.177 2.660 -20.234 1.00 10.00 H new ATOM 0 HB3 GLU A 49 6.993 2.574 -18.685 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.966 1.841 -17.564 1.00 10.00 H new ATOM 0 HG3 GLU A 49 3.988 2.175 -18.979 1.00 10.00 H new ATOM 791 N LEU A 50 4.422 4.370 -16.830 1.00 10.00 N ATOM 792 CA LEU A 50 4.073 4.576 -15.419 1.00 10.00 C ATOM 793 C LEU A 50 4.513 3.356 -14.599 1.00 10.00 C ATOM 794 O LEU A 50 4.145 2.227 -14.923 1.00 10.00 O ATOM 795 CB LEU A 50 2.538 4.768 -15.348 1.00 10.00 C ATOM 796 CG LEU A 50 1.857 5.063 -13.990 1.00 10.00 C ATOM 797 CD1 LEU A 50 1.860 3.895 -13.000 1.00 10.00 C ATOM 798 CD2 LEU A 50 2.413 6.304 -13.290 1.00 10.00 C ATOM 0 H LEU A 50 3.645 3.983 -17.365 1.00 10.00 H new ATOM 0 HA LEU A 50 4.576 5.451 -15.008 1.00 10.00 H new ATOM 0 HB2 LEU A 50 2.282 5.584 -16.023 1.00 10.00 H new ATOM 0 HB3 LEU A 50 2.079 3.865 -15.751 1.00 10.00 H new ATOM 0 HG LEU A 50 0.823 5.245 -14.281 1.00 10.00 H new ATOM 0 HD11 LEU A 50 1.361 4.197 -12.079 1.00 10.00 H new ATOM 0 HD12 LEU A 50 1.333 3.047 -13.437 1.00 10.00 H new ATOM 0 HD13 LEU A 50 2.888 3.608 -12.779 1.00 10.00 H new ATOM 0 HD21 LEU A 50 1.892 6.453 -12.344 1.00 10.00 H new ATOM 0 HD22 LEU A 50 3.478 6.168 -13.100 1.00 10.00 H new ATOM 0 HD23 LEU A 50 2.267 7.177 -13.926 1.00 10.00 H new ATOM 810 N LYS A 51 5.245 3.587 -13.502 1.00 10.00 N ATOM 811 CA LYS A 51 5.705 2.542 -12.579 1.00 10.00 C ATOM 812 C LYS A 51 5.397 2.929 -11.127 1.00 10.00 C ATOM 813 O LYS A 51 5.374 4.108 -10.778 1.00 10.00 O ATOM 814 CB LYS A 51 7.199 2.301 -12.862 1.00 10.00 C ATOM 815 CG LYS A 51 7.847 1.148 -12.069 1.00 10.00 C ATOM 816 CD LYS A 51 8.515 1.563 -10.749 1.00 10.00 C ATOM 817 CE LYS A 51 9.718 2.478 -10.992 1.00 10.00 C ATOM 818 NZ LYS A 51 10.298 2.944 -9.720 1.00 10.00 N ATOM 0 H LYS A 51 5.540 4.524 -13.226 1.00 10.00 H new ATOM 0 HA LYS A 51 5.174 1.603 -12.735 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.322 2.101 -13.926 1.00 10.00 H new ATOM 0 HB3 LYS A 51 7.745 3.219 -12.646 1.00 10.00 H new ATOM 0 HG2 LYS A 51 7.083 0.401 -11.853 1.00 10.00 H new ATOM 0 HG3 LYS A 51 8.593 0.667 -12.701 1.00 10.00 H new ATOM 0 HD2 LYS A 51 7.789 2.075 -10.118 1.00 10.00 H new ATOM 0 HD3 LYS A 51 8.837 0.673 -10.207 1.00 10.00 H new ATOM 0 HE2 LYS A 51 10.475 1.943 -11.566 1.00 10.00 H new ATOM 0 HE3 LYS A 51 9.411 3.336 -11.591 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 11.010 3.678 -9.911 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 9.546 3.339 -9.120 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 10.748 2.145 -9.230 1.00 10.00 H new ATOM 832 N VAL A 52 5.176 1.918 -10.281 1.00 10.00 N ATOM 833 CA VAL A 52 4.911 2.055 -8.842 1.00 10.00 C ATOM 834 C VAL A 52 5.803 1.068 -8.087 1.00 10.00 C ATOM 835 O VAL A 52 6.037 -0.045 -8.557 1.00 10.00 O ATOM 836 CB VAL A 52 3.414 1.802 -8.527 1.00 10.00 C ATOM 837 CG1 VAL A 52 3.087 1.826 -7.023 1.00 10.00 C ATOM 838 CG2 VAL A 52 2.513 2.852 -9.191 1.00 10.00 C ATOM 0 H VAL A 52 5.176 0.946 -10.589 1.00 10.00 H new ATOM 0 HA VAL A 52 5.139 3.072 -8.523 1.00 10.00 H new ATOM 0 HB VAL A 52 3.222 0.804 -8.922 1.00 10.00 H new ATOM 0 HG11 VAL A 52 2.022 1.642 -6.879 1.00 10.00 H new ATOM 0 HG12 VAL A 52 3.661 1.052 -6.513 1.00 10.00 H new ATOM 0 HG13 VAL A 52 3.345 2.801 -6.610 1.00 10.00 H new ATOM 0 HG21 VAL A 52 1.471 2.643 -8.948 1.00 10.00 H new ATOM 0 HG22 VAL A 52 2.779 3.844 -8.825 1.00 10.00 H new ATOM 0 HG23 VAL A 52 2.648 2.816 -10.272 1.00 10.00 H new ATOM 848 N ASP A 53 6.259 1.471 -6.902 1.00 10.00 N ATOM 849 CA ASP A 53 7.042 0.669 -5.968 1.00 10.00 C ATOM 850 C ASP A 53 6.400 0.812 -4.580 1.00 10.00 C ATOM 851 O ASP A 53 6.011 1.913 -4.183 1.00 10.00 O ATOM 852 CB ASP A 53 8.521 1.123 -5.907 1.00 10.00 C ATOM 853 CG ASP A 53 9.112 1.706 -7.200 1.00 10.00 C ATOM 854 OD1 ASP A 53 8.741 2.839 -7.590 1.00 10.00 O ATOM 855 OD2 ASP A 53 10.009 1.068 -7.799 1.00 10.00 O ATOM 0 H ASP A 53 6.083 2.413 -6.552 1.00 10.00 H new ATOM 0 HA ASP A 53 7.041 -0.368 -6.304 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.616 1.871 -5.120 1.00 10.00 H new ATOM 0 HB3 ASP A 53 9.128 0.268 -5.609 1.00 10.00 H new ATOM 860 N ILE A 54 6.300 -0.286 -3.825 1.00 10.00 N ATOM 861 CA ILE A 54 5.742 -0.276 -2.470 1.00 10.00 C ATOM 862 C ILE A 54 6.683 -1.039 -1.538 1.00 10.00 C ATOM 863 O ILE A 54 7.127 -2.145 -1.852 1.00 10.00 O ATOM 864 CB ILE A 54 4.322 -0.888 -2.436 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.359 -0.281 -3.483 1.00 10.00 C ATOM 866 CG2 ILE A 54 3.725 -0.715 -1.031 1.00 10.00 C ATOM 867 CD1 ILE A 54 1.926 -0.830 -3.395 1.00 10.00 C ATOM 0 H ILE A 54 6.604 -1.208 -4.137 1.00 10.00 H new ATOM 0 HA ILE A 54 5.652 0.757 -2.134 1.00 10.00 H new ATOM 0 HB ILE A 54 4.431 -1.943 -2.688 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.333 0.801 -3.355 1.00 10.00 H new ATOM 0 HG13 ILE A 54 3.752 -0.475 -4.481 1.00 10.00 H new ATOM 0 HG21 ILE A 54 2.724 -1.146 -1.005 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.357 -1.222 -0.302 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.670 0.346 -0.787 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.308 -0.359 -4.159 1.00 10.00 H new ATOM 0 HD12 ILE A 54 1.939 -1.908 -3.553 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.513 -0.613 -2.410 1.00 10.00 H new ATOM 879 N SER A 55 7.024 -0.440 -0.397 1.00 10.00 N ATOM 880 CA SER A 55 7.710 -1.118 0.705 1.00 10.00 C ATOM 881 C SER A 55 7.019 -0.822 2.035 1.00 10.00 C ATOM 882 O SER A 55 6.648 0.321 2.298 1.00 10.00 O ATOM 883 CB SER A 55 9.186 -0.726 0.714 1.00 10.00 C ATOM 884 OG SER A 55 9.780 -1.253 -0.456 1.00 10.00 O ATOM 0 H SER A 55 6.829 0.543 -0.209 1.00 10.00 H new ATOM 0 HA SER A 55 7.656 -2.197 0.559 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.293 0.358 0.742 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.680 -1.118 1.603 1.00 10.00 H new ATOM 0 HG SER A 55 10.730 -1.014 -0.477 1.00 10.00 H new ATOM 890 N ALA A 56 6.878 -1.845 2.881 1.00 10.00 N ATOM 891 CA ALA A 56 6.396 -1.715 4.252 1.00 10.00 C ATOM 892 C ALA A 56 7.333 -2.462 5.210 1.00 10.00 C ATOM 893 O ALA A 56 7.933 -3.465 4.825 1.00 10.00 O ATOM 894 CB ALA A 56 4.953 -2.231 4.333 1.00 10.00 C ATOM 0 H ALA A 56 7.101 -2.806 2.623 1.00 10.00 H new ATOM 0 HA ALA A 56 6.395 -0.667 4.553 1.00 10.00 H new ATOM 0 HB1 ALA A 56 4.589 -2.135 5.356 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.319 -1.646 3.667 1.00 10.00 H new ATOM 0 HB3 ALA A 56 4.924 -3.279 4.034 1.00 10.00 H new ATOM 900 N GLU A 57 7.418 -1.998 6.458 1.00 10.00 N ATOM 901 CA GLU A 57 8.151 -2.651 7.544 1.00 10.00 C ATOM 902 C GLU A 57 7.380 -2.520 8.866 1.00 10.00 C ATOM 903 O GLU A 57 6.705 -1.517 9.120 1.00 10.00 O ATOM 904 CB GLU A 57 9.581 -2.082 7.636 1.00 10.00 C ATOM 905 CG GLU A 57 10.486 -2.770 8.673 1.00 10.00 C ATOM 906 CD GLU A 57 10.618 -4.281 8.431 1.00 10.00 C ATOM 907 OE1 GLU A 57 9.648 -4.998 8.773 1.00 10.00 O ATOM 908 OE2 GLU A 57 11.668 -4.697 7.894 1.00 10.00 O ATOM 0 H GLU A 57 6.965 -1.132 6.750 1.00 10.00 H new ATOM 0 HA GLU A 57 8.240 -3.717 7.333 1.00 10.00 H new ATOM 0 HB2 GLU A 57 10.051 -2.160 6.656 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.519 -1.021 7.876 1.00 10.00 H new ATOM 0 HG2 GLU A 57 11.475 -2.314 8.646 1.00 10.00 H new ATOM 0 HG3 GLU A 57 10.083 -2.599 9.671 1.00 10.00 H new ATOM 915 N LEU A 58 7.495 -3.560 9.699 1.00 10.00 N ATOM 916 CA LEU A 58 6.688 -3.818 10.890 1.00 10.00 C ATOM 917 C LEU A 58 7.579 -3.872 12.135 1.00 10.00 C ATOM 918 O LEU A 58 8.260 -4.870 12.375 1.00 10.00 O ATOM 919 CB LEU A 58 5.961 -5.170 10.698 1.00 10.00 C ATOM 920 CG LEU A 58 4.620 -5.167 9.939 1.00 10.00 C ATOM 921 CD1 LEU A 58 3.499 -4.714 10.872 1.00 10.00 C ATOM 922 CD2 LEU A 58 4.583 -4.325 8.662 1.00 10.00 C ATOM 0 H LEU A 58 8.196 -4.285 9.548 1.00 10.00 H new ATOM 0 HA LEU A 58 5.962 -3.017 11.028 1.00 10.00 H new ATOM 0 HB2 LEU A 58 6.640 -5.843 10.174 1.00 10.00 H new ATOM 0 HB3 LEU A 58 5.786 -5.598 11.685 1.00 10.00 H new ATOM 0 HG LEU A 58 4.483 -6.197 9.611 1.00 10.00 H new ATOM 0 HD11 LEU A 58 2.553 -4.714 10.331 1.00 10.00 H new ATOM 0 HD12 LEU A 58 3.432 -5.397 11.719 1.00 10.00 H new ATOM 0 HD13 LEU A 58 3.711 -3.708 11.233 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.594 -4.394 8.209 1.00 10.00 H new ATOM 0 HD22 LEU A 58 4.798 -3.285 8.906 1.00 10.00 H new ATOM 0 HD23 LEU A 58 5.330 -4.695 7.960 1.00 10.00 H new ATOM 934 N TYR A 59 7.536 -2.824 12.966 1.00 10.00 N ATOM 935 CA TYR A 59 8.253 -2.830 14.238 1.00 10.00 C ATOM 936 C TYR A 59 7.308 -3.351 15.324 1.00 10.00 C ATOM 937 O TYR A 59 6.420 -2.636 15.783 1.00 10.00 O ATOM 938 CB TYR A 59 8.808 -1.434 14.559 1.00 10.00 C ATOM 939 CG TYR A 59 9.661 -0.838 13.452 1.00 10.00 C ATOM 940 CD1 TYR A 59 10.992 -1.262 13.265 1.00 10.00 C ATOM 941 CD2 TYR A 59 9.114 0.139 12.600 1.00 10.00 C ATOM 942 CE1 TYR A 59 11.775 -0.692 12.241 1.00 10.00 C ATOM 943 CE2 TYR A 59 9.892 0.715 11.587 1.00 10.00 C ATOM 944 CZ TYR A 59 11.231 0.308 11.404 1.00 10.00 C ATOM 945 OH TYR A 59 12.001 0.880 10.439 1.00 10.00 O ATOM 0 H TYR A 59 7.014 -1.968 12.779 1.00 10.00 H new ATOM 0 HA TYR A 59 9.117 -3.492 14.183 1.00 10.00 H new ATOM 0 HB2 TYR A 59 7.975 -0.761 14.764 1.00 10.00 H new ATOM 0 HB3 TYR A 59 9.403 -1.492 15.471 1.00 10.00 H new ATOM 0 HD1 TYR A 59 11.412 -2.023 13.906 1.00 10.00 H new ATOM 0 HD2 TYR A 59 8.087 0.447 12.728 1.00 10.00 H new ATOM 0 HE1 TYR A 59 12.794 -1.020 12.096 1.00 10.00 H new ATOM 0 HE2 TYR A 59 9.466 1.472 10.945 1.00 10.00 H new ATOM 0 HH TYR A 59 11.432 1.396 9.830 1.00 10.00 H new ATOM 955 N LEU A 60 7.495 -4.611 15.719 1.00 10.00 N ATOM 956 CA LEU A 60 6.814 -5.242 16.852 1.00 10.00 C ATOM 957 C LEU A 60 7.639 -5.107 18.133 1.00 10.00 C ATOM 958 O LEU A 60 8.867 -5.042 18.084 1.00 10.00 O ATOM 959 CB LEU A 60 6.574 -6.735 16.549 1.00 10.00 C ATOM 960 CG LEU A 60 5.354 -6.982 15.647 1.00 10.00 C ATOM 961 CD1 LEU A 60 5.363 -8.414 15.107 1.00 10.00 C ATOM 962 CD2 LEU A 60 4.056 -6.778 16.431 1.00 10.00 C ATOM 0 H LEU A 60 8.144 -5.240 15.246 1.00 10.00 H new ATOM 0 HA LEU A 60 5.860 -4.737 17.001 1.00 10.00 H new ATOM 0 HB2 LEU A 60 7.461 -7.149 16.070 1.00 10.00 H new ATOM 0 HB3 LEU A 60 6.438 -7.272 17.488 1.00 10.00 H new ATOM 0 HG LEU A 60 5.408 -6.272 14.821 1.00 10.00 H new ATOM 0 HD11 LEU A 60 4.491 -8.569 14.471 1.00 10.00 H new ATOM 0 HD12 LEU A 60 6.270 -8.578 14.525 1.00 10.00 H new ATOM 0 HD13 LEU A 60 5.334 -9.117 15.940 1.00 10.00 H new ATOM 0 HD21 LEU A 60 3.203 -6.957 15.776 1.00 10.00 H new ATOM 0 HD22 LEU A 60 4.023 -7.475 17.268 1.00 10.00 H new ATOM 0 HD23 LEU A 60 4.015 -5.756 16.808 1.00 10.00 H new ATOM 974 N ASP A 61 6.953 -5.089 19.280 1.00 10.00 N ATOM 975 CA ASP A 61 7.615 -5.202 20.579 1.00 10.00 C ATOM 976 C ASP A 61 8.412 -6.517 20.689 1.00 10.00 C ATOM 977 O ASP A 61 7.995 -7.563 20.182 1.00 10.00 O ATOM 978 CB ASP A 61 6.584 -5.085 21.711 1.00 10.00 C ATOM 979 CG ASP A 61 7.258 -5.160 23.085 1.00 10.00 C ATOM 980 OD1 ASP A 61 8.350 -4.561 23.216 1.00 10.00 O ATOM 981 OD2 ASP A 61 6.710 -5.858 23.964 1.00 10.00 O ATOM 0 H ASP A 61 5.939 -4.997 19.333 1.00 10.00 H new ATOM 0 HA ASP A 61 8.327 -4.382 20.673 1.00 10.00 H new ATOM 0 HB2 ASP A 61 6.044 -4.142 21.619 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.848 -5.884 21.620 1.00 10.00 H new ATOM 986 N GLU A 62 9.533 -6.478 21.419 1.00 10.00 N ATOM 987 CA GLU A 62 10.494 -7.586 21.562 1.00 10.00 C ATOM 988 C GLU A 62 9.966 -8.792 22.371 1.00 10.00 C ATOM 989 O GLU A 62 10.722 -9.709 22.689 1.00 10.00 O ATOM 990 CB GLU A 62 11.838 -7.051 22.095 1.00 10.00 C ATOM 991 CG GLU A 62 11.781 -6.447 23.507 1.00 10.00 C ATOM 992 CD GLU A 62 13.172 -5.996 23.972 1.00 10.00 C ATOM 993 OE1 GLU A 62 13.686 -5.010 23.395 1.00 10.00 O ATOM 994 OE2 GLU A 62 13.716 -6.641 24.897 1.00 10.00 O ATOM 0 H GLU A 62 9.808 -5.649 21.945 1.00 10.00 H new ATOM 0 HA GLU A 62 10.652 -7.997 20.565 1.00 10.00 H new ATOM 0 HB2 GLU A 62 12.563 -7.865 22.093 1.00 10.00 H new ATOM 0 HB3 GLU A 62 12.209 -6.292 21.406 1.00 10.00 H new ATOM 0 HG2 GLU A 62 11.098 -5.597 23.515 1.00 10.00 H new ATOM 0 HG3 GLU A 62 11.382 -7.183 24.205 1.00 10.00 H new ATOM 1001 N LEU A 63 8.663 -8.802 22.675 1.00 10.00 N ATOM 1002 CA LEU A 63 7.950 -9.833 23.425 1.00 10.00 C ATOM 1003 C LEU A 63 6.743 -10.409 22.652 1.00 10.00 C ATOM 1004 O LEU A 63 6.072 -11.294 23.183 1.00 10.00 O ATOM 1005 CB LEU A 63 7.522 -9.244 24.784 1.00 10.00 C ATOM 1006 CG LEU A 63 8.679 -8.741 25.674 1.00 10.00 C ATOM 1007 CD1 LEU A 63 8.113 -8.032 26.906 1.00 10.00 C ATOM 1008 CD2 LEU A 63 9.583 -9.887 26.146 1.00 10.00 C ATOM 0 H LEU A 63 8.045 -8.044 22.385 1.00 10.00 H new ATOM 0 HA LEU A 63 8.623 -10.676 23.581 1.00 10.00 H new ATOM 0 HB2 LEU A 63 6.837 -8.416 24.604 1.00 10.00 H new ATOM 0 HB3 LEU A 63 6.966 -10.004 25.333 1.00 10.00 H new ATOM 0 HG LEU A 63 9.275 -8.056 25.071 1.00 10.00 H new ATOM 0 HD11 LEU A 63 8.933 -7.679 27.531 1.00 10.00 H new ATOM 0 HD12 LEU A 63 7.506 -7.184 26.591 1.00 10.00 H new ATOM 0 HD13 LEU A 63 7.497 -8.728 27.475 1.00 10.00 H new ATOM 0 HD21 LEU A 63 10.383 -9.487 26.769 1.00 10.00 H new ATOM 0 HD22 LEU A 63 8.995 -10.600 26.724 1.00 10.00 H new ATOM 0 HD23 LEU A 63 10.014 -10.390 25.281 1.00 10.00 H new ATOM 1020 N SER A 64 6.480 -9.959 21.412 1.00 10.00 N ATOM 1021 CA SER A 64 5.460 -10.555 20.530 1.00 10.00 C ATOM 1022 C SER A 64 6.065 -11.548 19.527 1.00 10.00 C ATOM 1023 O SER A 64 7.275 -11.588 19.311 1.00 10.00 O ATOM 1024 CB SER A 64 4.636 -9.472 19.813 1.00 10.00 C ATOM 1025 OG SER A 64 3.437 -9.270 20.534 1.00 10.00 O ATOM 0 H SER A 64 6.970 -9.169 20.992 1.00 10.00 H new ATOM 0 HA SER A 64 4.784 -11.122 21.170 1.00 10.00 H new ATOM 0 HB2 SER A 64 5.203 -8.543 19.752 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.416 -9.778 18.790 1.00 10.00 H new ATOM 0 HG SER A 64 2.792 -8.795 19.970 1.00 10.00 H new ATOM 1031 N ASP A 65 5.200 -12.361 18.911 1.00 10.00 N ATOM 1032 CA ASP A 65 5.541 -13.489 18.056 1.00 10.00 C ATOM 1033 C ASP A 65 4.351 -13.723 17.114 1.00 10.00 C ATOM 1034 O ASP A 65 3.271 -14.133 17.537 1.00 10.00 O ATOM 1035 CB ASP A 65 5.850 -14.727 18.920 1.00 10.00 C ATOM 1036 CG ASP A 65 6.304 -15.935 18.093 1.00 10.00 C ATOM 1037 OD1 ASP A 65 6.901 -15.708 17.017 1.00 10.00 O ATOM 1038 OD2 ASP A 65 6.075 -17.072 18.563 1.00 10.00 O ATOM 0 H ASP A 65 4.192 -12.238 19.004 1.00 10.00 H new ATOM 0 HA ASP A 65 6.435 -13.289 17.465 1.00 10.00 H new ATOM 0 HB2 ASP A 65 6.627 -14.475 19.642 1.00 10.00 H new ATOM 0 HB3 ASP A 65 4.961 -14.997 19.490 1.00 10.00 H new ATOM 1043 N ALA A 66 4.547 -13.366 15.846 1.00 10.00 N ATOM 1044 CA ALA A 66 3.552 -13.379 14.774 1.00 10.00 C ATOM 1045 C ALA A 66 4.080 -14.104 13.516 1.00 10.00 C ATOM 1046 O ALA A 66 5.217 -14.576 13.494 1.00 10.00 O ATOM 1047 CB ALA A 66 3.126 -11.929 14.498 1.00 10.00 C ATOM 0 H ALA A 66 5.457 -13.041 15.520 1.00 10.00 H new ATOM 0 HA ALA A 66 2.675 -13.948 15.081 1.00 10.00 H new ATOM 0 HB1 ALA A 66 2.383 -11.914 13.701 1.00 10.00 H new ATOM 0 HB2 ALA A 66 2.697 -11.497 15.402 1.00 10.00 H new ATOM 0 HB3 ALA A 66 3.996 -11.346 14.195 1.00 10.00 H new ATOM 1053 N ASP A 67 3.299 -14.150 12.429 1.00 10.00 N ATOM 1054 CA ASP A 67 3.604 -15.052 11.316 1.00 10.00 C ATOM 1055 C ASP A 67 4.612 -14.435 10.316 1.00 10.00 C ATOM 1056 O ASP A 67 4.472 -13.267 9.926 1.00 10.00 O ATOM 1057 CB ASP A 67 2.306 -15.395 10.564 1.00 10.00 C ATOM 1058 CG ASP A 67 1.186 -15.894 11.482 1.00 10.00 C ATOM 1059 OD1 ASP A 67 0.615 -15.037 12.196 1.00 10.00 O ATOM 1060 OD2 ASP A 67 0.911 -17.113 11.446 1.00 10.00 O ATOM 0 H ASP A 67 2.463 -13.581 12.299 1.00 10.00 H new ATOM 0 HA ASP A 67 4.057 -15.948 11.740 1.00 10.00 H new ATOM 0 HB2 ASP A 67 1.960 -14.511 10.029 1.00 10.00 H new ATOM 0 HB3 ASP A 67 2.519 -16.158 9.815 1.00 10.00 H new ATOM 1065 N PRO A 68 5.629 -15.217 9.877 1.00 10.00 N ATOM 1066 CA PRO A 68 6.791 -14.761 9.102 1.00 10.00 C ATOM 1067 C PRO A 68 6.448 -14.468 7.629 1.00 10.00 C ATOM 1068 O PRO A 68 6.949 -15.103 6.702 1.00 10.00 O ATOM 1069 CB PRO A 68 7.850 -15.858 9.283 1.00 10.00 C ATOM 1070 CG PRO A 68 7.005 -17.121 9.398 1.00 10.00 C ATOM 1071 CD PRO A 68 5.807 -16.629 10.207 1.00 10.00 C ATOM 0 HA PRO A 68 7.163 -13.801 9.460 1.00 10.00 H new ATOM 0 HB2 PRO A 68 8.535 -15.904 8.436 1.00 10.00 H new ATOM 0 HB3 PRO A 68 8.456 -15.693 10.174 1.00 10.00 H new ATOM 0 HG2 PRO A 68 6.708 -17.504 8.421 1.00 10.00 H new ATOM 0 HG3 PRO A 68 7.539 -17.924 9.906 1.00 10.00 H new ATOM 0 HD2 PRO A 68 4.912 -17.200 9.960 1.00 10.00 H new ATOM 0 HD3 PRO A 68 5.982 -16.758 11.275 1.00 10.00 H new ATOM 1079 N GLY A 69 5.563 -13.492 7.429 1.00 10.00 N ATOM 1080 CA GLY A 69 5.047 -13.082 6.124 1.00 10.00 C ATOM 1081 C GLY A 69 4.001 -11.962 6.158 1.00 10.00 C ATOM 1082 O GLY A 69 3.689 -11.425 5.103 1.00 10.00 O ATOM 0 H GLY A 69 5.172 -12.947 8.197 1.00 10.00 H new ATOM 0 HA2 GLY A 69 5.884 -12.757 5.506 1.00 10.00 H new ATOM 0 HA3 GLY A 69 4.609 -13.952 5.635 1.00 10.00 H new ATOM 1086 N ILE A 70 3.493 -11.552 7.331 1.00 10.00 N ATOM 1087 CA ILE A 70 2.471 -10.508 7.489 1.00 10.00 C ATOM 1088 C ILE A 70 2.830 -9.172 6.811 1.00 10.00 C ATOM 1089 O ILE A 70 1.942 -8.474 6.325 1.00 10.00 O ATOM 1090 CB ILE A 70 2.198 -10.379 9.005 1.00 10.00 C ATOM 1091 CG1 ILE A 70 1.299 -11.568 9.412 1.00 10.00 C ATOM 1092 CG2 ILE A 70 1.615 -9.016 9.400 1.00 10.00 C ATOM 1093 CD1 ILE A 70 1.035 -11.688 10.913 1.00 10.00 C ATOM 0 H ILE A 70 3.792 -11.950 8.221 1.00 10.00 H new ATOM 0 HA ILE A 70 1.561 -10.799 6.965 1.00 10.00 H new ATOM 0 HB ILE A 70 3.138 -10.421 9.555 1.00 10.00 H new ATOM 0 HG12 ILE A 70 0.344 -11.476 8.896 1.00 10.00 H new ATOM 0 HG13 ILE A 70 1.762 -12.491 9.064 1.00 10.00 H new ATOM 0 HG21 ILE A 70 1.447 -8.991 10.477 1.00 10.00 H new ATOM 0 HG22 ILE A 70 2.314 -8.227 9.123 1.00 10.00 H new ATOM 0 HG23 ILE A 70 0.669 -8.861 8.881 1.00 10.00 H new ATOM 0 HD11 ILE A 70 0.396 -12.550 11.102 1.00 10.00 H new ATOM 0 HD12 ILE A 70 1.981 -11.815 11.440 1.00 10.00 H new ATOM 0 HD13 ILE A 70 0.540 -10.784 11.269 1.00 10.00 H new ATOM 1105 N VAL A 71 4.122 -8.836 6.733 1.00 10.00 N ATOM 1106 CA VAL A 71 4.624 -7.694 5.956 1.00 10.00 C ATOM 1107 C VAL A 71 4.279 -7.875 4.475 1.00 10.00 C ATOM 1108 O VAL A 71 3.549 -7.070 3.904 1.00 10.00 O ATOM 1109 CB VAL A 71 6.152 -7.584 6.094 1.00 10.00 C ATOM 1110 CG1 VAL A 71 6.690 -6.361 5.346 1.00 10.00 C ATOM 1111 CG2 VAL A 71 6.635 -7.534 7.548 1.00 10.00 C ATOM 0 H VAL A 71 4.858 -9.354 7.212 1.00 10.00 H new ATOM 0 HA VAL A 71 4.155 -6.788 6.340 1.00 10.00 H new ATOM 0 HB VAL A 71 6.545 -8.498 5.649 1.00 10.00 H new ATOM 0 HG11 VAL A 71 7.773 -6.311 5.462 1.00 10.00 H new ATOM 0 HG12 VAL A 71 6.442 -6.444 4.288 1.00 10.00 H new ATOM 0 HG13 VAL A 71 6.239 -5.457 5.755 1.00 10.00 H new ATOM 0 HG21 VAL A 71 7.722 -7.457 7.568 1.00 10.00 H new ATOM 0 HG22 VAL A 71 6.200 -6.667 8.046 1.00 10.00 H new ATOM 0 HG23 VAL A 71 6.326 -8.442 8.065 1.00 10.00 H new ATOM 1121 N ASP A 72 4.788 -8.957 3.876 1.00 10.00 N ATOM 1122 CA ASP A 72 4.570 -9.331 2.481 1.00 10.00 C ATOM 1123 C ASP A 72 3.078 -9.478 2.171 1.00 10.00 C ATOM 1124 O ASP A 72 2.633 -8.970 1.146 1.00 10.00 O ATOM 1125 CB ASP A 72 5.348 -10.619 2.176 1.00 10.00 C ATOM 1126 CG ASP A 72 5.363 -10.937 0.680 1.00 10.00 C ATOM 1127 OD1 ASP A 72 5.934 -10.113 -0.067 1.00 10.00 O ATOM 1128 OD2 ASP A 72 4.830 -12.007 0.313 1.00 10.00 O ATOM 0 H ASP A 72 5.385 -9.619 4.371 1.00 10.00 H new ATOM 0 HA ASP A 72 4.942 -8.537 1.833 1.00 10.00 H new ATOM 0 HB2 ASP A 72 6.372 -10.518 2.536 1.00 10.00 H new ATOM 0 HB3 ASP A 72 4.900 -11.451 2.719 1.00 10.00 H new ATOM 1133 N GLU A 73 2.281 -10.009 3.111 1.00 10.00 N ATOM 1134 CA GLU A 73 0.826 -10.082 2.960 1.00 10.00 C ATOM 1135 C GLU A 73 0.215 -8.680 2.887 1.00 10.00 C ATOM 1136 O GLU A 73 -0.719 -8.481 2.110 1.00 10.00 O ATOM 1137 CB GLU A 73 0.156 -10.751 4.170 1.00 10.00 C ATOM 1138 CG GLU A 73 0.362 -12.253 4.399 1.00 10.00 C ATOM 1139 CD GLU A 73 -0.438 -12.741 5.623 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -0.948 -11.903 6.409 1.00 10.00 O ATOM 1141 OE2 GLU A 73 -0.578 -13.971 5.797 1.00 10.00 O ATOM 0 H GLU A 73 2.627 -10.396 3.989 1.00 10.00 H new ATOM 0 HA GLU A 73 0.655 -10.655 2.049 1.00 10.00 H new ATOM 0 HB2 GLU A 73 0.500 -10.232 5.065 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -0.917 -10.574 4.091 1.00 10.00 H new ATOM 0 HG2 GLU A 73 0.050 -12.806 3.513 1.00 10.00 H new ATOM 0 HG3 GLU A 73 1.422 -12.460 4.547 1.00 10.00 H new ATOM 1148 N ALA A 74 0.727 -7.700 3.650 1.00 10.00 N ATOM 1149 CA ALA A 74 0.167 -6.350 3.608 1.00 10.00 C ATOM 1150 C ALA A 74 0.432 -5.683 2.253 1.00 10.00 C ATOM 1151 O ALA A 74 -0.456 -5.048 1.680 1.00 10.00 O ATOM 1152 CB ALA A 74 0.733 -5.509 4.757 1.00 10.00 C ATOM 0 H ALA A 74 1.512 -7.818 4.290 1.00 10.00 H new ATOM 0 HA ALA A 74 -0.914 -6.421 3.731 1.00 10.00 H new ATOM 0 HB1 ALA A 74 0.309 -4.505 4.716 1.00 10.00 H new ATOM 0 HB2 ALA A 74 0.475 -5.973 5.709 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.817 -5.449 4.664 1.00 10.00 H new ATOM 1158 N VAL A 75 1.648 -5.861 1.722 1.00 10.00 N ATOM 1159 CA VAL A 75 2.037 -5.288 0.432 1.00 10.00 C ATOM 1160 C VAL A 75 1.358 -6.030 -0.732 1.00 10.00 C ATOM 1161 O VAL A 75 0.801 -5.387 -1.615 1.00 10.00 O ATOM 1162 CB VAL A 75 3.570 -5.236 0.277 1.00 10.00 C ATOM 1163 CG1 VAL A 75 3.930 -4.245 -0.828 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.286 -4.710 1.534 1.00 10.00 C ATOM 0 H VAL A 75 2.385 -6.403 2.173 1.00 10.00 H new ATOM 0 HA VAL A 75 1.684 -4.257 0.403 1.00 10.00 H new ATOM 0 HB VAL A 75 3.884 -6.259 0.070 1.00 10.00 H new ATOM 0 HG11 VAL A 75 5.013 -4.204 -0.942 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.478 -4.567 -1.766 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.555 -3.256 -0.566 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.362 -4.698 1.361 1.00 10.00 H new ATOM 0 HG22 VAL A 75 3.942 -3.699 1.753 1.00 10.00 H new ATOM 0 HG23 VAL A 75 4.062 -5.360 2.379 1.00 10.00 H new ATOM 1174 N ASP A 76 1.300 -7.366 -0.703 1.00 10.00 N ATOM 1175 CA ASP A 76 0.554 -8.224 -1.633 1.00 10.00 C ATOM 1176 C ASP A 76 -0.956 -7.909 -1.637 1.00 10.00 C ATOM 1177 O ASP A 76 -1.572 -7.834 -2.705 1.00 10.00 O ATOM 1178 CB ASP A 76 0.843 -9.681 -1.235 1.00 10.00 C ATOM 1179 CG ASP A 76 0.247 -10.712 -2.185 1.00 10.00 C ATOM 1180 OD1 ASP A 76 0.448 -10.599 -3.409 1.00 10.00 O ATOM 1181 OD2 ASP A 76 -0.460 -11.631 -1.707 1.00 10.00 O ATOM 0 H ASP A 76 1.797 -7.906 0.005 1.00 10.00 H new ATOM 0 HA ASP A 76 0.880 -8.041 -2.657 1.00 10.00 H new ATOM 0 HB2 ASP A 76 1.922 -9.827 -1.187 1.00 10.00 H new ATOM 0 HB3 ASP A 76 0.453 -9.857 -0.233 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.548 -7.624 -0.469 1.00 10.00 N ATOM 1187 CA ALA A 77 -2.915 -7.117 -0.378 1.00 10.00 C ATOM 1188 C ALA A 77 -3.052 -5.740 -1.046 1.00 10.00 C ATOM 1189 O ALA A 77 -3.984 -5.542 -1.827 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.359 -7.079 1.088 1.00 10.00 C ATOM 0 H ALA A 77 -1.090 -7.740 0.435 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.573 -7.795 -0.921 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.379 -6.700 1.149 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.320 -8.085 1.506 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.694 -6.425 1.653 1.00 10.00 H new ATOM 1196 N ALA A 78 -2.115 -4.808 -0.810 1.00 10.00 N ATOM 1197 CA ALA A 78 -2.096 -3.528 -1.519 1.00 10.00 C ATOM 1198 C ALA A 78 -1.963 -3.708 -3.041 1.00 10.00 C ATOM 1199 O ALA A 78 -2.727 -3.084 -3.782 1.00 10.00 O ATOM 1200 CB ALA A 78 -1.008 -2.616 -0.943 1.00 10.00 C ATOM 0 H ALA A 78 -1.362 -4.922 -0.132 1.00 10.00 H new ATOM 0 HA ALA A 78 -3.058 -3.041 -1.361 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -1.006 -1.668 -1.480 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.207 -2.434 0.113 1.00 10.00 H new ATOM 0 HB3 ALA A 78 -0.036 -3.096 -1.051 1.00 10.00 H new ATOM 1206 N TYR A 79 -1.084 -4.604 -3.512 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.919 -4.897 -4.937 1.00 10.00 C ATOM 1208 C TYR A 79 -2.196 -5.476 -5.566 1.00 10.00 C ATOM 1209 O TYR A 79 -2.610 -4.993 -6.623 1.00 10.00 O ATOM 1210 CB TYR A 79 0.266 -5.858 -5.145 1.00 10.00 C ATOM 1211 CG TYR A 79 1.653 -5.261 -4.954 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.052 -4.159 -5.741 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.571 -5.838 -4.048 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.343 -3.615 -5.605 1.00 10.00 C ATOM 1215 CE2 TYR A 79 3.882 -5.327 -3.950 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.262 -4.193 -4.705 1.00 10.00 C ATOM 1217 OH TYR A 79 5.497 -3.638 -4.554 1.00 10.00 O ATOM 0 H TYR A 79 -0.466 -5.147 -2.909 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.714 -3.953 -5.442 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.155 -6.695 -4.455 1.00 10.00 H new ATOM 0 HB3 TYR A 79 0.204 -6.266 -6.154 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.362 -3.730 -6.452 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.269 -6.671 -3.430 1.00 10.00 H new ATOM 0 HE1 TYR A 79 3.630 -2.754 -6.190 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.598 -5.803 -3.296 1.00 10.00 H new ATOM 0 HH TYR A 79 6.009 -4.154 -3.897 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.892 -6.414 -4.899 1.00 10.00 N ATOM 1228 CA ARG A 80 -4.193 -6.897 -5.399 1.00 10.00 C ATOM 1229 C ARG A 80 -5.310 -5.863 -5.259 1.00 10.00 C ATOM 1230 O ARG A 80 -6.236 -5.865 -6.072 1.00 10.00 O ATOM 1231 CB ARG A 80 -4.611 -8.236 -4.785 1.00 10.00 C ATOM 1232 CG ARG A 80 -3.684 -9.360 -5.264 1.00 10.00 C ATOM 1233 CD ARG A 80 -4.353 -10.734 -5.113 1.00 10.00 C ATOM 1234 NE ARG A 80 -3.335 -11.792 -5.019 1.00 10.00 N ATOM 1235 CZ ARG A 80 -2.577 -11.991 -3.949 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -2.845 -11.452 -2.787 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -1.475 -12.688 -4.007 1.00 10.00 N ATOM 0 H ARG A 80 -2.583 -6.846 -4.028 1.00 10.00 H new ATOM 0 HA ARG A 80 -4.037 -7.063 -6.465 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -4.580 -8.170 -3.697 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -5.641 -8.464 -5.061 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -3.418 -9.195 -6.308 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -2.757 -9.339 -4.691 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -4.981 -10.744 -4.222 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -5.006 -10.923 -5.965 1.00 10.00 H new ATOM 0 HE ARG A 80 -3.205 -12.407 -5.822 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -3.663 -10.853 -2.679 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -2.235 -11.631 -1.989 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -1.176 -13.097 -4.892 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -0.913 -12.824 -3.167 1.00 10.00 H new ATOM 1251 N SER A 81 -5.221 -4.945 -4.290 1.00 10.00 N ATOM 1252 CA SER A 81 -6.122 -3.791 -4.227 1.00 10.00 C ATOM 1253 C SER A 81 -5.942 -2.890 -5.452 1.00 10.00 C ATOM 1254 O SER A 81 -6.934 -2.488 -6.048 1.00 10.00 O ATOM 1255 CB SER A 81 -5.951 -3.002 -2.920 1.00 10.00 C ATOM 1256 OG SER A 81 -4.900 -2.054 -2.969 1.00 10.00 O ATOM 0 H SER A 81 -4.533 -4.980 -3.538 1.00 10.00 H new ATOM 0 HA SER A 81 -7.143 -4.172 -4.236 1.00 10.00 H new ATOM 0 HB2 SER A 81 -6.884 -2.488 -2.690 1.00 10.00 H new ATOM 0 HB3 SER A 81 -5.763 -3.700 -2.105 1.00 10.00 H new ATOM 0 HG SER A 81 -4.141 -2.432 -3.460 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.695 -2.643 -5.882 1.00 10.00 N ATOM 1263 CA LEU A 82 -4.379 -1.826 -7.052 1.00 10.00 C ATOM 1264 C LEU A 82 -4.834 -2.513 -8.348 1.00 10.00 C ATOM 1265 O LEU A 82 -5.493 -1.889 -9.179 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.864 -1.549 -7.040 1.00 10.00 C ATOM 1267 CG LEU A 82 -2.389 -0.444 -8.002 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -3.023 0.922 -7.707 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -0.867 -0.302 -7.891 1.00 10.00 C ATOM 0 H LEU A 82 -3.868 -3.014 -5.415 1.00 10.00 H new ATOM 0 HA LEU A 82 -4.918 -0.880 -7.011 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.569 -1.277 -6.027 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -2.341 -2.473 -7.287 1.00 10.00 H new ATOM 0 HG LEU A 82 -2.695 -0.743 -9.004 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -2.649 1.658 -8.418 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -4.107 0.848 -7.798 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -2.765 1.232 -6.694 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -0.524 0.479 -8.570 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -0.600 -0.037 -6.868 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -0.393 -1.247 -8.156 1.00 10.00 H new ATOM 1281 N GLU A 83 -4.572 -3.819 -8.467 1.00 10.00 N ATOM 1282 CA GLU A 83 -5.050 -4.661 -9.569 1.00 10.00 C ATOM 1283 C GLU A 83 -6.586 -4.657 -9.651 1.00 10.00 C ATOM 1284 O GLU A 83 -7.144 -4.490 -10.734 1.00 10.00 O ATOM 1285 CB GLU A 83 -4.507 -6.073 -9.292 1.00 10.00 C ATOM 1286 CG GLU A 83 -4.909 -7.172 -10.281 1.00 10.00 C ATOM 1287 CD GLU A 83 -4.321 -8.523 -9.840 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -4.635 -8.954 -8.705 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -3.549 -9.106 -10.634 1.00 10.00 O ATOM 0 H GLU A 83 -4.010 -4.331 -7.786 1.00 10.00 H new ATOM 0 HA GLU A 83 -4.700 -4.287 -10.531 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -3.419 -6.020 -9.267 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -4.835 -6.374 -8.297 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -5.995 -7.241 -10.338 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -4.553 -6.921 -11.280 1.00 10.00 H new ATOM 1296 N SER A 84 -7.266 -4.720 -8.498 1.00 10.00 N ATOM 1297 CA SER A 84 -8.729 -4.645 -8.402 1.00 10.00 C ATOM 1298 C SER A 84 -9.272 -3.235 -8.670 1.00 10.00 C ATOM 1299 O SER A 84 -10.404 -3.087 -9.120 1.00 10.00 O ATOM 1300 CB SER A 84 -9.200 -5.083 -7.008 1.00 10.00 C ATOM 1301 OG SER A 84 -8.670 -6.342 -6.640 1.00 10.00 O ATOM 0 H SER A 84 -6.808 -4.826 -7.593 1.00 10.00 H new ATOM 0 HA SER A 84 -9.115 -5.315 -9.170 1.00 10.00 H new ATOM 0 HB2 SER A 84 -8.901 -4.335 -6.273 1.00 10.00 H new ATOM 0 HB3 SER A 84 -10.289 -5.129 -6.991 1.00 10.00 H new ATOM 0 HG SER A 84 -7.728 -6.240 -6.390 1.00 10.00 H new ATOM 1307 N PHE A 85 -8.489 -2.191 -8.374 1.00 10.00 N ATOM 1308 CA PHE A 85 -8.897 -0.796 -8.527 1.00 10.00 C ATOM 1309 C PHE A 85 -8.800 -0.336 -9.986 1.00 10.00 C ATOM 1310 O PHE A 85 -9.740 0.281 -10.482 1.00 10.00 O ATOM 1311 CB PHE A 85 -8.002 0.045 -7.600 1.00 10.00 C ATOM 1312 CG PHE A 85 -8.272 1.534 -7.515 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -7.708 2.411 -8.460 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -8.986 2.057 -6.419 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -7.843 3.802 -8.303 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -9.122 3.448 -6.262 1.00 10.00 C ATOM 1317 CZ PHE A 85 -8.544 4.321 -7.200 1.00 10.00 C ATOM 0 H PHE A 85 -7.540 -2.297 -8.016 1.00 10.00 H new ATOM 0 HA PHE A 85 -9.944 -0.674 -8.250 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -8.081 -0.367 -6.594 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -6.969 -0.090 -7.920 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -7.170 2.015 -9.308 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -9.430 1.388 -5.697 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -7.408 4.472 -9.030 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -9.670 3.845 -5.421 1.00 10.00 H new ATOM 0 HZ PHE A 85 -8.638 5.389 -7.074 1.00 10.00 H new ATOM 1327 N LEU A 86 -7.736 -0.687 -10.725 1.00 10.00 N ATOM 1328 CA LEU A 86 -7.623 -0.289 -12.137 1.00 10.00 C ATOM 1329 C LEU A 86 -8.656 -0.973 -13.046 1.00 10.00 C ATOM 1330 O LEU A 86 -9.112 -0.330 -13.997 1.00 10.00 O ATOM 1331 CB LEU A 86 -6.180 -0.384 -12.662 1.00 10.00 C ATOM 1332 CG LEU A 86 -5.237 0.774 -12.245 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -5.873 2.173 -12.318 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -4.652 0.601 -10.848 1.00 10.00 C ATOM 0 H LEU A 86 -6.952 -1.238 -10.375 1.00 10.00 H new ATOM 0 HA LEU A 86 -7.880 0.770 -12.174 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -5.748 -1.323 -12.316 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -6.211 -0.429 -13.751 1.00 10.00 H new ATOM 0 HG LEU A 86 -4.444 0.713 -12.991 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -5.143 2.921 -12.009 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -6.190 2.376 -13.341 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -6.737 2.215 -11.655 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -4.002 1.445 -10.619 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -5.460 0.557 -10.118 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -4.075 -0.323 -10.807 1.00 10.00 H new