USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 646 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 HIS : no HD1:sc= -0.0659 X(o=-0.066,f=-0.14) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00329) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0122 F(o=-2.8!,f=-0.012) USER MOD Single : A 37 SER OG : rot 180:sc= -0.831 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.837 K(o=-0.84,f=-3.1!) USER MOD Single : A 55 THR OG1 : rot -21:sc= 0.708 USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00381 USER MOD Single : A 62 SER OG : rot -17:sc= 1.17 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -51:sc= 0.529 USER MOD Single : A 70 ASN : amide:sc= -0.383 K(o=-0.38,f=-8.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS :FLIP no HE2:sc= -13.1! C(o=-15!,f=-13!) USER MOD Single : A 79 THR OG1 : rot 79:sc= 0.875 USER MOD ----------------------------------------------------------------- ATOM 99 N GLY A 10 13.661 -0.952 -0.303 1.00 0.00 N ATOM 100 CA GLY A 10 14.250 -1.025 1.022 1.00 0.00 C ATOM 101 C GLY A 10 14.149 0.287 1.774 1.00 0.00 C ATOM 102 O GLY A 10 13.943 0.302 2.988 1.00 0.00 O ATOM 0 HA2 GLY A 10 13.753 -1.808 1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.298 -1.311 0.935 1.00 0.00 H new ATOM 106 N LEU A 11 14.297 1.393 1.053 1.00 0.00 N ATOM 107 CA LEU A 11 14.223 2.718 1.660 1.00 0.00 C ATOM 108 C LEU A 11 12.781 3.085 1.992 1.00 0.00 C ATOM 109 O LEU A 11 12.517 4.128 2.592 1.00 0.00 O ATOM 110 CB LEU A 11 14.825 3.765 0.721 1.00 0.00 C ATOM 111 CG LEU A 11 13.931 4.228 -0.429 1.00 0.00 C ATOM 112 CD1 LEU A 11 13.320 3.033 -1.145 1.00 0.00 C ATOM 113 CD2 LEU A 11 12.842 5.159 0.083 1.00 0.00 C ATOM 0 H LEU A 11 14.469 1.399 0.048 1.00 0.00 H new ATOM 0 HA LEU A 11 14.796 2.698 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.103 4.637 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.745 3.360 0.299 1.00 0.00 H new ATOM 0 HG LEU A 11 14.545 4.778 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.687 3.382 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.115 2.404 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.720 2.455 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.215 5.478 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.230 4.634 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.299 6.032 0.549 1.00 0.00 H new ATOM 125 N LEU A 12 11.850 2.222 1.599 1.00 0.00 N ATOM 126 CA LEU A 12 10.434 2.454 1.857 1.00 0.00 C ATOM 127 C LEU A 12 10.169 2.602 3.352 1.00 0.00 C ATOM 128 O LEU A 12 9.441 3.499 3.778 1.00 0.00 O ATOM 129 CB LEU A 12 9.597 1.305 1.291 1.00 0.00 C ATOM 130 CG LEU A 12 9.338 1.342 -0.216 1.00 0.00 C ATOM 131 CD1 LEU A 12 8.949 -0.037 -0.725 1.00 0.00 C ATOM 132 CD2 LEU A 12 8.255 2.360 -0.545 1.00 0.00 C ATOM 0 H LEU A 12 12.051 1.355 1.100 1.00 0.00 H new ATOM 0 HA LEU A 12 10.148 3.382 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.096 0.366 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.636 1.295 1.805 1.00 0.00 H new ATOM 0 HG LEU A 12 10.258 1.644 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.769 0.009 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.756 -0.741 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.043 -0.369 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.083 2.373 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.332 2.087 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.573 3.349 -0.216 1.00 0.00 H new ATOM 144 N VAL A 13 10.767 1.718 4.144 1.00 0.00 N ATOM 145 CA VAL A 13 10.600 1.753 5.592 1.00 0.00 C ATOM 146 C VAL A 13 11.318 2.952 6.200 1.00 0.00 C ATOM 147 O VAL A 13 11.052 3.336 7.339 1.00 0.00 O ATOM 148 CB VAL A 13 11.128 0.464 6.249 1.00 0.00 C ATOM 149 CG1 VAL A 13 10.178 -0.696 5.991 1.00 0.00 C ATOM 150 CG2 VAL A 13 12.526 0.142 5.741 1.00 0.00 C ATOM 0 H VAL A 13 11.372 0.969 3.807 1.00 0.00 H new ATOM 0 HA VAL A 13 9.531 1.839 5.785 1.00 0.00 H new ATOM 0 HB VAL A 13 11.184 0.623 7.326 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.568 -1.598 6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.198 -0.463 6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.086 -0.859 4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.884 -0.772 6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.497 0.003 4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.199 0.964 5.983 1.00 0.00 H new ATOM 160 N HIS A 14 12.230 3.540 5.433 1.00 0.00 N ATOM 161 CA HIS A 14 12.987 4.698 5.896 1.00 0.00 C ATOM 162 C HIS A 14 12.179 5.980 5.722 1.00 0.00 C ATOM 163 O HIS A 14 12.206 6.865 6.579 1.00 0.00 O ATOM 164 CB HIS A 14 14.308 4.807 5.135 1.00 0.00 C ATOM 165 CG HIS A 14 15.323 3.786 5.547 1.00 0.00 C ATOM 166 ND1 HIS A 14 16.369 3.395 4.738 1.00 0.00 N ATOM 167 CD2 HIS A 14 15.450 3.076 6.692 1.00 0.00 C ATOM 168 CE1 HIS A 14 17.094 2.487 5.367 1.00 0.00 C ATOM 169 NE2 HIS A 14 16.557 2.276 6.555 1.00 0.00 N ATOM 0 H HIS A 14 12.463 3.234 4.488 1.00 0.00 H new ATOM 0 HA HIS A 14 13.197 4.563 6.957 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.113 4.703 4.068 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.724 5.803 5.287 1.00 0.00 H new ATOM 0 HD2 HIS A 14 14.801 3.129 7.554 1.00 0.00 H new ATOM 0 HE1 HIS A 14 17.975 2.000 4.976 1.00 0.00 H new ATOM 0 HE2 HIS A 14 16.908 1.624 7.257 1.00 0.00 H new ATOM 178 N LYS A 15 11.460 6.075 4.609 1.00 0.00 N ATOM 179 CA LYS A 15 10.643 7.248 4.322 1.00 0.00 C ATOM 180 C LYS A 15 9.199 7.026 4.760 1.00 0.00 C ATOM 181 O LYS A 15 8.570 6.040 4.378 1.00 0.00 O ATOM 182 CB LYS A 15 10.690 7.575 2.828 1.00 0.00 C ATOM 183 CG LYS A 15 9.723 8.670 2.414 1.00 0.00 C ATOM 184 CD LYS A 15 9.269 8.500 0.974 1.00 0.00 C ATOM 185 CE LYS A 15 8.305 9.600 0.559 1.00 0.00 C ATOM 186 NZ LYS A 15 9.021 10.820 0.094 1.00 0.00 N ATOM 0 H LYS A 15 11.426 5.352 3.890 1.00 0.00 H new ATOM 0 HA LYS A 15 11.049 8.089 4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.703 7.877 2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.468 6.672 2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.855 8.658 3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.201 9.642 2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.137 8.508 0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.788 7.529 0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.657 9.234 -0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.662 9.855 1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.328 11.546 -0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.620 11.185 0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.616 10.582 -0.726 1.00 0.00 H new ATOM 200 N ALA A 16 8.680 7.950 5.562 1.00 0.00 N ATOM 201 CA ALA A 16 7.309 7.856 6.048 1.00 0.00 C ATOM 202 C ALA A 16 6.358 7.440 4.931 1.00 0.00 C ATOM 203 O ALA A 16 6.482 7.895 3.794 1.00 0.00 O ATOM 204 CB ALA A 16 6.870 9.183 6.650 1.00 0.00 C ATOM 0 H ALA A 16 9.188 8.772 5.889 1.00 0.00 H new ATOM 0 HA ALA A 16 7.276 7.090 6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.844 9.098 7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.525 9.440 7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.925 9.963 5.891 1.00 0.00 H new ATOM 210 N VAL A 17 5.408 6.571 5.262 1.00 0.00 N ATOM 211 CA VAL A 17 4.435 6.093 4.287 1.00 0.00 C ATOM 212 C VAL A 17 3.441 7.190 3.920 1.00 0.00 C ATOM 213 O VAL A 17 2.966 7.256 2.786 1.00 0.00 O ATOM 214 CB VAL A 17 3.661 4.872 4.818 1.00 0.00 C ATOM 215 CG1 VAL A 17 2.517 4.516 3.882 1.00 0.00 C ATOM 216 CG2 VAL A 17 4.598 3.688 5.003 1.00 0.00 C ATOM 0 H VAL A 17 5.292 6.184 6.198 1.00 0.00 H new ATOM 0 HA VAL A 17 4.995 5.801 3.399 1.00 0.00 H new ATOM 0 HB VAL A 17 3.237 5.126 5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.982 3.651 4.274 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.833 5.361 3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.915 4.280 2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.035 2.834 5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.052 3.431 4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.379 3.950 5.717 1.00 0.00 H new ATOM 226 N ASP A 18 3.132 8.048 4.886 1.00 0.00 N ATOM 227 CA ASP A 18 2.195 9.143 4.664 1.00 0.00 C ATOM 228 C ASP A 18 2.804 10.201 3.748 1.00 0.00 C ATOM 229 O ASP A 18 2.166 11.207 3.434 1.00 0.00 O ATOM 230 CB ASP A 18 1.792 9.776 5.997 1.00 0.00 C ATOM 231 CG ASP A 18 2.734 10.886 6.420 1.00 0.00 C ATOM 232 OD1 ASP A 18 3.837 10.571 6.914 1.00 0.00 O ATOM 233 OD2 ASP A 18 2.368 12.069 6.257 1.00 0.00 O ATOM 0 H ASP A 18 3.516 8.006 5.830 1.00 0.00 H new ATOM 0 HA ASP A 18 1.307 8.736 4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.780 10.173 5.916 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.771 9.007 6.769 1.00 0.00 H new ATOM 238 N LYS A 19 4.041 9.968 3.324 1.00 0.00 N ATOM 239 CA LYS A 19 4.737 10.900 2.445 1.00 0.00 C ATOM 240 C LYS A 19 4.977 10.277 1.073 1.00 0.00 C ATOM 241 O LYS A 19 5.488 10.933 0.165 1.00 0.00 O ATOM 242 CB LYS A 19 6.070 11.321 3.066 1.00 0.00 C ATOM 243 CG LYS A 19 5.971 12.562 3.936 1.00 0.00 C ATOM 244 CD LYS A 19 5.325 12.253 5.276 1.00 0.00 C ATOM 245 CE LYS A 19 5.544 13.381 6.274 1.00 0.00 C ATOM 246 NZ LYS A 19 4.907 14.650 5.825 1.00 0.00 N ATOM 0 H LYS A 19 4.583 9.141 3.575 1.00 0.00 H new ATOM 0 HA LYS A 19 4.108 11.781 2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.458 10.497 3.665 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.791 11.503 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.967 12.975 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.390 13.325 3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.256 12.091 5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.738 11.327 5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.136 13.093 7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.613 13.541 6.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.050 15.385 6.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.338 14.957 4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.888 14.496 5.684 1.00 0.00 H new ATOM 260 N TRP A 20 4.605 9.011 0.931 1.00 0.00 N ATOM 261 CA TRP A 20 4.779 8.300 -0.331 1.00 0.00 C ATOM 262 C TRP A 20 3.931 8.929 -1.431 1.00 0.00 C ATOM 263 O TRP A 20 3.127 9.825 -1.174 1.00 0.00 O ATOM 264 CB TRP A 20 4.410 6.825 -0.165 1.00 0.00 C ATOM 265 CG TRP A 20 5.329 6.083 0.757 1.00 0.00 C ATOM 266 CD1 TRP A 20 6.367 6.605 1.475 1.00 0.00 C ATOM 267 CD2 TRP A 20 5.294 4.684 1.058 1.00 0.00 C ATOM 268 NE1 TRP A 20 6.980 5.615 2.204 1.00 0.00 N ATOM 269 CE2 TRP A 20 6.340 4.427 1.967 1.00 0.00 C ATOM 270 CE3 TRP A 20 4.481 3.623 0.651 1.00 0.00 C ATOM 271 CZ2 TRP A 20 6.591 3.154 2.472 1.00 0.00 C ATOM 272 CZ3 TRP A 20 4.732 2.360 1.153 1.00 0.00 C ATOM 273 CH2 TRP A 20 5.779 2.134 2.056 1.00 0.00 C ATOM 0 H TRP A 20 4.181 8.455 1.673 1.00 0.00 H new ATOM 0 HA TRP A 20 5.828 8.374 -0.619 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.391 6.753 0.215 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.421 6.343 -1.143 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.663 7.644 1.470 1.00 0.00 H new ATOM 0 HE1 TRP A 20 7.782 5.744 2.822 1.00 0.00 H new ATOM 0 HE3 TRP A 20 3.671 3.787 -0.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 7.398 2.978 3.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 4.110 1.533 0.844 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.949 1.136 2.431 1.00 0.00 H new ATOM 284 N THR A 21 4.115 8.453 -2.659 1.00 0.00 N ATOM 285 CA THR A 21 3.367 8.969 -3.799 1.00 0.00 C ATOM 286 C THR A 21 2.634 7.849 -4.529 1.00 0.00 C ATOM 287 O THR A 21 3.026 6.684 -4.454 1.00 0.00 O ATOM 288 CB THR A 21 4.290 9.698 -4.793 1.00 0.00 C ATOM 289 OG1 THR A 21 5.419 8.875 -5.107 1.00 0.00 O ATOM 290 CG2 THR A 21 4.766 11.023 -4.219 1.00 0.00 C ATOM 0 H THR A 21 4.776 7.711 -2.889 1.00 0.00 H new ATOM 0 HA THR A 21 2.639 9.678 -3.405 1.00 0.00 H new ATOM 0 HB THR A 21 3.722 9.898 -5.702 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.000 9.345 -5.741 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.416 11.519 -4.940 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.906 11.659 -4.009 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.318 10.843 -3.296 1.00 0.00 H new ATOM 298 N THR A 22 1.568 8.209 -5.237 1.00 0.00 N ATOM 299 CA THR A 22 0.780 7.234 -5.980 1.00 0.00 C ATOM 300 C THR A 22 1.677 6.197 -6.648 1.00 0.00 C ATOM 301 O THR A 22 1.259 5.065 -6.889 1.00 0.00 O ATOM 302 CB THR A 22 -0.087 7.915 -7.056 1.00 0.00 C ATOM 303 OG1 THR A 22 -0.682 9.104 -6.524 1.00 0.00 O ATOM 304 CG2 THR A 22 -1.175 6.974 -7.550 1.00 0.00 C ATOM 0 H THR A 22 1.231 9.169 -5.311 1.00 0.00 H new ATOM 0 HA THR A 22 0.129 6.738 -5.260 1.00 0.00 H new ATOM 0 HB THR A 22 0.555 8.175 -7.898 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.230 9.532 -7.214 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.774 7.477 -8.309 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.718 6.083 -7.980 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.814 6.687 -6.715 1.00 0.00 H new ATOM 312 N GLU A 23 2.911 6.592 -6.944 1.00 0.00 N ATOM 313 CA GLU A 23 3.866 5.695 -7.584 1.00 0.00 C ATOM 314 C GLU A 23 4.469 4.727 -6.570 1.00 0.00 C ATOM 315 O GLU A 23 4.463 3.514 -6.775 1.00 0.00 O ATOM 316 CB GLU A 23 4.978 6.498 -8.263 1.00 0.00 C ATOM 317 CG GLU A 23 5.606 5.786 -9.449 1.00 0.00 C ATOM 318 CD GLU A 23 6.589 6.662 -10.201 1.00 0.00 C ATOM 319 OE1 GLU A 23 7.733 6.815 -9.724 1.00 0.00 O ATOM 320 OE2 GLU A 23 6.215 7.193 -11.268 1.00 0.00 O ATOM 0 H GLU A 23 3.273 7.526 -6.751 1.00 0.00 H new ATOM 0 HA GLU A 23 3.332 5.117 -8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.573 7.453 -8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.754 6.719 -7.530 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.117 4.889 -9.100 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.820 5.460 -10.130 1.00 0.00 H new ATOM 327 N GLU A 24 4.989 5.275 -5.476 1.00 0.00 N ATOM 328 CA GLU A 24 5.597 4.460 -4.430 1.00 0.00 C ATOM 329 C GLU A 24 4.564 3.539 -3.788 1.00 0.00 C ATOM 330 O GLU A 24 4.848 2.378 -3.495 1.00 0.00 O ATOM 331 CB GLU A 24 6.233 5.353 -3.362 1.00 0.00 C ATOM 332 CG GLU A 24 7.298 6.290 -3.908 1.00 0.00 C ATOM 333 CD GLU A 24 8.019 7.054 -2.814 1.00 0.00 C ATOM 334 OE1 GLU A 24 7.385 7.348 -1.779 1.00 0.00 O ATOM 335 OE2 GLU A 24 9.217 7.358 -2.994 1.00 0.00 O ATOM 0 H GLU A 24 5.002 6.278 -5.291 1.00 0.00 H new ATOM 0 HA GLU A 24 6.372 3.845 -4.888 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.453 5.944 -2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.676 4.723 -2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.023 5.714 -4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.836 6.998 -4.596 1.00 0.00 H new ATOM 342 N VAL A 25 3.363 4.066 -3.572 1.00 0.00 N ATOM 343 CA VAL A 25 2.286 3.292 -2.966 1.00 0.00 C ATOM 344 C VAL A 25 2.114 1.948 -3.665 1.00 0.00 C ATOM 345 O VAL A 25 2.071 0.901 -3.019 1.00 0.00 O ATOM 346 CB VAL A 25 0.950 4.057 -3.013 1.00 0.00 C ATOM 347 CG1 VAL A 25 -0.192 3.165 -2.550 1.00 0.00 C ATOM 348 CG2 VAL A 25 1.029 5.318 -2.166 1.00 0.00 C ATOM 0 H VAL A 25 3.111 5.026 -3.808 1.00 0.00 H new ATOM 0 HA VAL A 25 2.564 3.124 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 25 0.755 4.351 -4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.128 3.722 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.260 2.294 -3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.007 2.839 -1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.077 5.846 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.247 5.049 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.820 5.963 -2.547 1.00 0.00 H new ATOM 358 N VAL A 26 2.017 1.984 -4.990 1.00 0.00 N ATOM 359 CA VAL A 26 1.852 0.769 -5.778 1.00 0.00 C ATOM 360 C VAL A 26 3.116 -0.083 -5.746 1.00 0.00 C ATOM 361 O VAL A 26 3.051 -1.312 -5.790 1.00 0.00 O ATOM 362 CB VAL A 26 1.501 1.093 -7.243 1.00 0.00 C ATOM 363 CG1 VAL A 26 1.410 -0.184 -8.065 1.00 0.00 C ATOM 364 CG2 VAL A 26 0.200 1.878 -7.317 1.00 0.00 C ATOM 0 H VAL A 26 2.050 2.842 -5.540 1.00 0.00 H new ATOM 0 HA VAL A 26 1.030 0.211 -5.330 1.00 0.00 H new ATOM 0 HB VAL A 26 2.296 1.710 -7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.161 0.064 -9.097 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.368 -0.703 -8.038 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.635 -0.829 -7.650 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.033 2.099 -8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.606 1.288 -6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.306 2.811 -6.764 1.00 0.00 H new ATOM 374 N LEU A 27 4.266 0.578 -5.670 1.00 0.00 N ATOM 375 CA LEU A 27 5.547 -0.119 -5.632 1.00 0.00 C ATOM 376 C LEU A 27 5.644 -1.013 -4.400 1.00 0.00 C ATOM 377 O LEU A 27 5.947 -2.202 -4.506 1.00 0.00 O ATOM 378 CB LEU A 27 6.698 0.889 -5.636 1.00 0.00 C ATOM 379 CG LEU A 27 7.231 1.293 -7.011 1.00 0.00 C ATOM 380 CD1 LEU A 27 8.397 2.259 -6.868 1.00 0.00 C ATOM 381 CD2 LEU A 27 7.649 0.063 -7.803 1.00 0.00 C ATOM 0 H LEU A 27 4.338 1.595 -5.634 1.00 0.00 H new ATOM 0 HA LEU A 27 5.618 -0.747 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.368 1.789 -5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.522 0.472 -5.057 1.00 0.00 H new ATOM 0 HG LEU A 27 6.433 1.797 -7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.764 2.536 -7.857 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.066 3.153 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.198 1.781 -6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.026 0.369 -8.779 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.432 -0.469 -7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.789 -0.594 -7.936 1.00 0.00 H new ATOM 393 N TRP A 28 5.382 -0.435 -3.233 1.00 0.00 N ATOM 394 CA TRP A 28 5.438 -1.181 -1.981 1.00 0.00 C ATOM 395 C TRP A 28 4.489 -2.374 -2.016 1.00 0.00 C ATOM 396 O TRP A 28 4.835 -3.468 -1.567 1.00 0.00 O ATOM 397 CB TRP A 28 5.087 -0.269 -0.804 1.00 0.00 C ATOM 398 CG TRP A 28 4.683 -1.019 0.428 1.00 0.00 C ATOM 399 CD1 TRP A 28 5.513 -1.555 1.371 1.00 0.00 C ATOM 400 CD2 TRP A 28 3.348 -1.318 0.850 1.00 0.00 C ATOM 401 NE1 TRP A 28 4.774 -2.169 2.354 1.00 0.00 N ATOM 402 CE2 TRP A 28 3.443 -2.037 2.058 1.00 0.00 C ATOM 403 CE3 TRP A 28 2.081 -1.046 0.327 1.00 0.00 C ATOM 404 CZ2 TRP A 28 2.320 -2.487 2.747 1.00 0.00 C ATOM 405 CZ3 TRP A 28 0.967 -1.494 1.012 1.00 0.00 C ATOM 406 CH2 TRP A 28 1.092 -2.207 2.211 1.00 0.00 C ATOM 0 H TRP A 28 5.129 0.547 -3.128 1.00 0.00 H new ATOM 0 HA TRP A 28 6.455 -1.552 -1.853 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.946 0.360 -0.572 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.275 0.396 -1.098 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.592 -1.504 1.348 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.155 -2.646 3.171 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.974 -0.496 -0.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.414 -3.037 3.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.017 -1.291 0.616 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.202 -2.542 2.723 1.00 0.00 H new ATOM 417 N LEU A 29 3.293 -2.158 -2.551 1.00 0.00 N ATOM 418 CA LEU A 29 2.294 -3.217 -2.645 1.00 0.00 C ATOM 419 C LEU A 29 2.668 -4.225 -3.727 1.00 0.00 C ATOM 420 O LEU A 29 2.280 -5.391 -3.663 1.00 0.00 O ATOM 421 CB LEU A 29 0.917 -2.621 -2.942 1.00 0.00 C ATOM 422 CG LEU A 29 -0.174 -3.616 -3.339 1.00 0.00 C ATOM 423 CD1 LEU A 29 -0.636 -4.413 -2.129 1.00 0.00 C ATOM 424 CD2 LEU A 29 -1.348 -2.892 -3.982 1.00 0.00 C ATOM 0 H LEU A 29 2.991 -1.259 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 29 2.260 -3.736 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.581 -2.077 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.025 -1.891 -3.744 1.00 0.00 H new ATOM 0 HG LEU A 29 0.243 -4.310 -4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.412 -5.116 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.208 -4.962 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.035 -3.733 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.115 -3.616 -4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.764 -2.174 -3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.007 -2.367 -4.874 1.00 0.00 H new ATOM 436 N GLU A 30 3.427 -3.767 -4.718 1.00 0.00 N ATOM 437 CA GLU A 30 3.854 -4.630 -5.813 1.00 0.00 C ATOM 438 C GLU A 30 4.999 -5.539 -5.374 1.00 0.00 C ATOM 439 O GLU A 30 5.598 -6.237 -6.191 1.00 0.00 O ATOM 440 CB GLU A 30 4.288 -3.789 -7.015 1.00 0.00 C ATOM 441 CG GLU A 30 3.147 -3.435 -7.953 1.00 0.00 C ATOM 442 CD GLU A 30 3.631 -2.981 -9.316 1.00 0.00 C ATOM 443 OE1 GLU A 30 4.439 -2.029 -9.372 1.00 0.00 O ATOM 444 OE2 GLU A 30 3.204 -3.576 -10.327 1.00 0.00 O ATOM 0 H GLU A 30 3.758 -2.805 -4.785 1.00 0.00 H new ATOM 0 HA GLU A 30 3.008 -5.254 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.751 -2.870 -6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.050 -4.333 -7.573 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.498 -4.302 -8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.544 -2.645 -7.504 1.00 0.00 H new ATOM 451 N GLN A 31 5.297 -5.522 -4.079 1.00 0.00 N ATOM 452 CA GLN A 31 6.371 -6.342 -3.531 1.00 0.00 C ATOM 453 C GLN A 31 5.811 -7.455 -2.651 1.00 0.00 C ATOM 454 O GLN A 31 6.402 -8.530 -2.540 1.00 0.00 O ATOM 455 CB GLN A 31 7.342 -5.478 -2.726 1.00 0.00 C ATOM 456 CG GLN A 31 8.333 -4.711 -3.587 1.00 0.00 C ATOM 457 CD GLN A 31 9.186 -3.751 -2.781 1.00 0.00 C ATOM 458 OE1 GLN A 31 8.675 -2.544 -2.565 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 10.291 -4.090 -2.358 1.00 0.00 N flip ATOM 0 H GLN A 31 4.810 -4.949 -3.390 1.00 0.00 H new ATOM 0 HA GLN A 31 6.907 -6.797 -4.364 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.772 -4.770 -2.125 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.892 -6.114 -2.033 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.980 -5.418 -4.106 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.790 -4.155 -4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.644 -5.028 -2.548 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.854 -3.433 -1.817 1.00 0.00 H new ATOM 468 N LEU A 32 4.670 -7.190 -2.026 1.00 0.00 N ATOM 469 CA LEU A 32 4.029 -8.169 -1.154 1.00 0.00 C ATOM 470 C LEU A 32 3.660 -9.429 -1.930 1.00 0.00 C ATOM 471 O LEU A 32 3.575 -10.517 -1.362 1.00 0.00 O ATOM 472 CB LEU A 32 2.779 -7.567 -0.510 1.00 0.00 C ATOM 473 CG LEU A 32 2.874 -6.096 -0.105 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.645 -5.679 0.688 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.141 -5.846 0.701 1.00 0.00 C ATOM 0 H LEU A 32 4.169 -6.305 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 32 4.737 -8.441 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.947 -7.678 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.534 -8.152 0.377 1.00 0.00 H new ATOM 0 HG LEU A 32 2.918 -5.492 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.731 -4.629 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.753 -5.820 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.569 -6.289 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.192 -4.794 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.127 -6.461 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.012 -6.104 0.099 1.00 0.00 H new ATOM 487 N GLY A 33 3.443 -9.274 -3.232 1.00 0.00 N ATOM 488 CA GLY A 33 3.087 -10.408 -4.065 1.00 0.00 C ATOM 489 C GLY A 33 2.766 -10.003 -5.490 1.00 0.00 C ATOM 490 O GLY A 33 2.528 -8.832 -5.786 1.00 0.00 O ATOM 0 H GLY A 33 3.507 -8.383 -3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.910 -11.123 -4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.225 -10.916 -3.632 1.00 0.00 H new ATOM 494 N PRO A 34 2.757 -10.987 -6.401 1.00 0.00 N ATOM 495 CA PRO A 34 2.465 -10.751 -7.818 1.00 0.00 C ATOM 496 C PRO A 34 1.004 -10.385 -8.056 1.00 0.00 C ATOM 497 O PRO A 34 0.661 -9.791 -9.079 1.00 0.00 O ATOM 498 CB PRO A 34 2.794 -12.093 -8.477 1.00 0.00 C ATOM 499 CG PRO A 34 2.627 -13.099 -7.391 1.00 0.00 C ATOM 500 CD PRO A 34 3.031 -12.406 -6.119 1.00 0.00 C ATOM 0 HA PRO A 34 3.037 -9.913 -8.217 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.125 -12.298 -9.313 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.810 -12.102 -8.872 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.595 -13.446 -7.336 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.249 -13.976 -7.572 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.455 -12.765 -5.266 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.083 -12.574 -5.887 1.00 0.00 H new ATOM 508 N TRP A 35 0.148 -10.742 -7.106 1.00 0.00 N ATOM 509 CA TRP A 35 -1.277 -10.451 -7.212 1.00 0.00 C ATOM 510 C TRP A 35 -1.544 -8.961 -7.026 1.00 0.00 C ATOM 511 O TRP A 35 -2.629 -8.471 -7.338 1.00 0.00 O ATOM 512 CB TRP A 35 -2.063 -11.255 -6.175 1.00 0.00 C ATOM 513 CG TRP A 35 -1.476 -11.181 -4.798 1.00 0.00 C ATOM 514 CD1 TRP A 35 -0.846 -12.185 -4.120 1.00 0.00 C ATOM 515 CD2 TRP A 35 -1.469 -10.042 -3.930 1.00 0.00 C ATOM 516 NE1 TRP A 35 -0.447 -11.739 -2.883 1.00 0.00 N ATOM 517 CE2 TRP A 35 -0.816 -10.427 -2.743 1.00 0.00 C ATOM 518 CE3 TRP A 35 -1.947 -8.734 -4.042 1.00 0.00 C ATOM 519 CZ2 TRP A 35 -0.633 -9.550 -1.677 1.00 0.00 C ATOM 520 CZ3 TRP A 35 -1.765 -7.865 -2.982 1.00 0.00 C ATOM 521 CH2 TRP A 35 -1.112 -8.276 -1.813 1.00 0.00 C ATOM 0 H TRP A 35 0.416 -11.234 -6.253 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.607 -10.739 -8.210 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.090 -10.890 -6.145 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.104 -12.298 -6.489 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.685 -13.183 -4.500 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.044 -12.295 -2.183 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.450 -8.407 -4.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -0.130 -9.865 -0.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.133 -6.852 -3.057 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.984 -7.573 -1.003 1.00 0.00 H new ATOM 532 N ALA A 36 -0.547 -8.245 -6.516 1.00 0.00 N ATOM 533 CA ALA A 36 -0.674 -6.811 -6.291 1.00 0.00 C ATOM 534 C ALA A 36 -0.979 -6.076 -7.591 1.00 0.00 C ATOM 535 O ALA A 36 -1.587 -5.005 -7.583 1.00 0.00 O ATOM 536 CB ALA A 36 0.597 -6.262 -5.658 1.00 0.00 C ATOM 0 H ALA A 36 0.357 -8.635 -6.251 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.508 -6.648 -5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.489 -5.190 -5.495 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.772 -6.758 -4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.442 -6.445 -6.322 1.00 0.00 H new ATOM 542 N SER A 37 -0.553 -6.656 -8.708 1.00 0.00 N ATOM 543 CA SER A 37 -0.777 -6.054 -10.017 1.00 0.00 C ATOM 544 C SER A 37 -2.252 -6.122 -10.401 1.00 0.00 C ATOM 545 O SER A 37 -2.685 -5.487 -11.363 1.00 0.00 O ATOM 546 CB SER A 37 0.071 -6.757 -11.078 1.00 0.00 C ATOM 547 OG SER A 37 0.376 -5.882 -12.150 1.00 0.00 O ATOM 0 H SER A 37 -0.050 -7.543 -8.733 1.00 0.00 H new ATOM 0 HA SER A 37 -0.481 -5.006 -9.963 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.995 -7.121 -10.627 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.464 -7.628 -11.457 1.00 0.00 H new ATOM 0 HG SER A 37 0.920 -6.355 -12.814 1.00 0.00 H new ATOM 553 N LEU A 38 -3.019 -6.897 -9.642 1.00 0.00 N ATOM 554 CA LEU A 38 -4.446 -7.050 -9.902 1.00 0.00 C ATOM 555 C LEU A 38 -5.247 -5.959 -9.198 1.00 0.00 C ATOM 556 O LEU A 38 -6.440 -5.791 -9.451 1.00 0.00 O ATOM 557 CB LEU A 38 -4.924 -8.428 -9.440 1.00 0.00 C ATOM 558 CG LEU A 38 -4.230 -9.630 -10.083 1.00 0.00 C ATOM 559 CD1 LEU A 38 -4.395 -10.868 -9.216 1.00 0.00 C ATOM 560 CD2 LEU A 38 -4.780 -9.877 -11.480 1.00 0.00 C ATOM 0 H LEU A 38 -2.677 -7.429 -8.842 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.607 -6.958 -10.976 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.792 -8.493 -8.360 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.994 -8.504 -9.636 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.166 -9.410 -10.166 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.895 -11.713 -9.689 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.953 -10.687 -8.236 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.455 -11.092 -9.100 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.275 -10.736 -11.923 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.850 -10.076 -11.420 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.609 -8.996 -12.099 1.00 0.00 H new ATOM 572 N TYR A 39 -4.583 -5.221 -8.317 1.00 0.00 N ATOM 573 CA TYR A 39 -5.233 -4.146 -7.576 1.00 0.00 C ATOM 574 C TYR A 39 -4.600 -2.797 -7.905 1.00 0.00 C ATOM 575 O TYR A 39 -5.252 -1.756 -7.823 1.00 0.00 O ATOM 576 CB TYR A 39 -5.147 -4.409 -6.072 1.00 0.00 C ATOM 577 CG TYR A 39 -5.772 -5.720 -5.650 1.00 0.00 C ATOM 578 CD1 TYR A 39 -5.052 -6.907 -5.710 1.00 0.00 C ATOM 579 CD2 TYR A 39 -7.083 -5.771 -5.193 1.00 0.00 C ATOM 580 CE1 TYR A 39 -5.619 -8.106 -5.326 1.00 0.00 C ATOM 581 CE2 TYR A 39 -7.658 -6.966 -4.806 1.00 0.00 C ATOM 582 CZ TYR A 39 -6.922 -8.131 -4.874 1.00 0.00 C ATOM 583 OH TYR A 39 -7.492 -9.324 -4.491 1.00 0.00 O ATOM 0 H TYR A 39 -3.595 -5.347 -8.098 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.281 -4.117 -7.873 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.100 -4.401 -5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.638 -3.594 -5.540 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.031 -6.891 -6.063 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.662 -4.861 -5.139 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.045 -9.019 -5.379 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.678 -6.988 -4.452 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.414 -9.167 -4.197 1.00 0.00 H new ATOM 593 N ARG A 40 -3.324 -2.825 -8.277 1.00 0.00 N ATOM 594 CA ARG A 40 -2.601 -1.606 -8.618 1.00 0.00 C ATOM 595 C ARG A 40 -3.504 -0.629 -9.366 1.00 0.00 C ATOM 596 O ARG A 40 -3.557 0.557 -9.039 1.00 0.00 O ATOM 597 CB ARG A 40 -1.374 -1.937 -9.470 1.00 0.00 C ATOM 598 CG ARG A 40 -1.704 -2.238 -10.923 1.00 0.00 C ATOM 599 CD ARG A 40 -0.492 -2.773 -11.670 1.00 0.00 C ATOM 600 NE ARG A 40 -0.519 -2.412 -13.085 1.00 0.00 N ATOM 601 CZ ARG A 40 -0.245 -1.194 -13.538 1.00 0.00 C ATOM 602 NH1 ARG A 40 0.075 -0.225 -12.692 1.00 0.00 N ATOM 603 NH2 ARG A 40 -0.290 -0.944 -14.841 1.00 0.00 N ATOM 0 H ARG A 40 -2.770 -3.678 -8.350 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.275 -1.135 -7.690 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.678 -1.099 -9.430 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.863 -2.797 -9.037 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.513 -2.967 -10.970 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.063 -1.332 -11.411 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.417 -2.382 -11.213 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.456 -3.858 -11.573 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.762 -3.135 -13.762 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.111 -0.414 -11.690 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.285 0.710 -13.043 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.535 -1.688 -15.495 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.079 -0.008 -15.188 1.00 0.00 H new ATOM 617 N ASP A 41 -4.211 -1.135 -10.370 1.00 0.00 N ATOM 618 CA ASP A 41 -5.113 -0.308 -11.163 1.00 0.00 C ATOM 619 C ASP A 41 -5.982 0.566 -10.264 1.00 0.00 C ATOM 620 O ASP A 41 -6.164 1.755 -10.527 1.00 0.00 O ATOM 621 CB ASP A 41 -5.996 -1.186 -12.051 1.00 0.00 C ATOM 622 CG ASP A 41 -6.395 -0.491 -13.338 1.00 0.00 C ATOM 623 OD1 ASP A 41 -5.500 -0.207 -14.160 1.00 0.00 O ATOM 624 OD2 ASP A 41 -7.603 -0.232 -13.523 1.00 0.00 O ATOM 0 H ASP A 41 -4.177 -2.114 -10.654 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.508 0.342 -11.795 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.465 -2.108 -12.289 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.893 -1.468 -11.500 1.00 0.00 H new ATOM 629 N ARG A 42 -6.516 -0.032 -9.205 1.00 0.00 N ATOM 630 CA ARG A 42 -7.368 0.691 -8.268 1.00 0.00 C ATOM 631 C ARG A 42 -6.567 1.740 -7.503 1.00 0.00 C ATOM 632 O ARG A 42 -7.108 2.760 -7.076 1.00 0.00 O ATOM 633 CB ARG A 42 -8.024 -0.282 -7.286 1.00 0.00 C ATOM 634 CG ARG A 42 -8.643 -1.498 -7.955 1.00 0.00 C ATOM 635 CD ARG A 42 -9.737 -2.110 -7.095 1.00 0.00 C ATOM 636 NE ARG A 42 -10.393 -3.232 -7.761 1.00 0.00 N ATOM 637 CZ ARG A 42 -11.330 -3.088 -8.692 1.00 0.00 C ATOM 638 NH1 ARG A 42 -11.717 -1.876 -9.066 1.00 0.00 N ATOM 639 NH2 ARG A 42 -11.880 -4.158 -9.252 1.00 0.00 N ATOM 0 H ARG A 42 -6.374 -1.015 -8.974 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.145 1.198 -8.840 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.278 -0.615 -6.565 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.796 0.246 -6.725 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.056 -1.212 -8.922 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.870 -2.242 -8.146 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.310 -2.448 -6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.478 -1.348 -6.854 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.117 -4.178 -7.497 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.295 -1.051 -8.639 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.436 -1.768 -9.781 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.584 -5.092 -8.968 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.599 -4.047 -9.967 1.00 0.00 H new ATOM 653 N PHE A 43 -5.274 1.483 -7.334 1.00 0.00 N ATOM 654 CA PHE A 43 -4.398 2.404 -6.619 1.00 0.00 C ATOM 655 C PHE A 43 -4.082 3.628 -7.474 1.00 0.00 C ATOM 656 O PHE A 43 -4.128 4.762 -6.996 1.00 0.00 O ATOM 657 CB PHE A 43 -3.101 1.699 -6.217 1.00 0.00 C ATOM 658 CG PHE A 43 -3.244 0.827 -5.003 1.00 0.00 C ATOM 659 CD1 PHE A 43 -3.691 -0.479 -5.120 1.00 0.00 C ATOM 660 CD2 PHE A 43 -2.930 1.313 -3.744 1.00 0.00 C ATOM 661 CE1 PHE A 43 -3.824 -1.283 -4.004 1.00 0.00 C ATOM 662 CE2 PHE A 43 -3.060 0.513 -2.624 1.00 0.00 C ATOM 663 CZ PHE A 43 -3.507 -0.787 -2.755 1.00 0.00 C ATOM 0 H PHE A 43 -4.810 0.644 -7.683 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.917 2.735 -5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.753 1.091 -7.052 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.333 2.449 -6.027 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.938 -0.873 -6.095 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.580 2.329 -3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.176 -2.299 -4.109 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.812 0.904 -1.648 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.608 -1.415 -1.882 1.00 0.00 H new ATOM 673 N LEU A 44 -3.760 3.390 -8.740 1.00 0.00 N ATOM 674 CA LEU A 44 -3.436 4.471 -9.664 1.00 0.00 C ATOM 675 C LEU A 44 -4.685 5.266 -10.033 1.00 0.00 C ATOM 676 O LEU A 44 -4.724 6.486 -9.879 1.00 0.00 O ATOM 677 CB LEU A 44 -2.781 3.911 -10.927 1.00 0.00 C ATOM 678 CG LEU A 44 -1.398 3.285 -10.746 1.00 0.00 C ATOM 679 CD1 LEU A 44 -0.491 4.215 -9.954 1.00 0.00 C ATOM 680 CD2 LEU A 44 -1.510 1.933 -10.058 1.00 0.00 C ATOM 0 H LEU A 44 -3.716 2.457 -9.151 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.735 5.142 -9.167 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.445 3.159 -11.353 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.700 4.716 -11.658 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.957 3.133 -11.731 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.489 3.753 -9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.384 5.160 -10.487 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.927 4.399 -8.972 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.516 1.503 -9.938 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.971 2.060 -9.079 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.123 1.266 -10.664 1.00 0.00 H new ATOM 692 N SER A 45 -5.703 4.564 -10.519 1.00 0.00 N ATOM 693 CA SER A 45 -6.954 5.203 -10.912 1.00 0.00 C ATOM 694 C SER A 45 -7.475 6.106 -9.798 1.00 0.00 C ATOM 695 O SER A 45 -7.819 7.264 -10.034 1.00 0.00 O ATOM 696 CB SER A 45 -8.004 4.147 -11.261 1.00 0.00 C ATOM 697 OG SER A 45 -8.933 4.645 -12.208 1.00 0.00 O ATOM 0 H SER A 45 -5.687 3.553 -10.650 1.00 0.00 H new ATOM 0 HA SER A 45 -6.760 5.815 -11.792 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.513 3.260 -11.661 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.530 3.840 -10.357 1.00 0.00 H new ATOM 0 HG SER A 45 -9.593 3.951 -12.416 1.00 0.00 H new ATOM 703 N GLU A 46 -7.531 5.567 -8.585 1.00 0.00 N ATOM 704 CA GLU A 46 -8.011 6.324 -7.434 1.00 0.00 C ATOM 705 C GLU A 46 -6.897 7.182 -6.843 1.00 0.00 C ATOM 706 O GLU A 46 -7.049 7.762 -5.768 1.00 0.00 O ATOM 707 CB GLU A 46 -8.561 5.376 -6.366 1.00 0.00 C ATOM 708 CG GLU A 46 -9.833 4.658 -6.786 1.00 0.00 C ATOM 709 CD GLU A 46 -10.995 5.608 -7.001 1.00 0.00 C ATOM 710 OE1 GLU A 46 -11.152 6.547 -6.193 1.00 0.00 O ATOM 711 OE2 GLU A 46 -11.748 5.412 -7.978 1.00 0.00 O ATOM 0 H GLU A 46 -7.250 4.610 -8.373 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.811 6.982 -7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.799 4.635 -6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.757 5.942 -5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.646 4.104 -7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.102 3.927 -6.023 1.00 0.00 H new ATOM 718 N ARG A 47 -5.776 7.256 -7.554 1.00 0.00 N ATOM 719 CA ARG A 47 -4.634 8.041 -7.099 1.00 0.00 C ATOM 720 C ARG A 47 -4.401 7.846 -5.604 1.00 0.00 C ATOM 721 O ARG A 47 -4.070 8.791 -4.888 1.00 0.00 O ATOM 722 CB ARG A 47 -4.855 9.524 -7.403 1.00 0.00 C ATOM 723 CG ARG A 47 -5.088 9.817 -8.876 1.00 0.00 C ATOM 724 CD ARG A 47 -3.805 9.677 -9.681 1.00 0.00 C ATOM 725 NE ARG A 47 -3.878 10.387 -10.955 1.00 0.00 N ATOM 726 CZ ARG A 47 -2.999 10.226 -11.938 1.00 0.00 C ATOM 727 NH1 ARG A 47 -1.986 9.384 -11.794 1.00 0.00 N ATOM 728 NH2 ARG A 47 -3.133 10.909 -13.068 1.00 0.00 N ATOM 0 H ARG A 47 -5.634 6.783 -8.446 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.750 7.695 -7.635 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.712 9.879 -6.831 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.988 10.089 -7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.842 9.135 -9.269 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.482 10.827 -8.989 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.968 10.062 -9.099 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.606 8.621 -9.865 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.646 11.043 -11.098 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.880 8.858 -10.927 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.313 9.262 -12.550 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.911 11.558 -13.182 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.458 10.785 -13.822 1.00 0.00 H new ATOM 742 N VAL A 48 -4.575 6.613 -5.139 1.00 0.00 N ATOM 743 CA VAL A 48 -4.383 6.293 -3.730 1.00 0.00 C ATOM 744 C VAL A 48 -2.936 6.523 -3.306 1.00 0.00 C ATOM 745 O VAL A 48 -2.077 5.665 -3.506 1.00 0.00 O ATOM 746 CB VAL A 48 -4.769 4.833 -3.428 1.00 0.00 C ATOM 747 CG1 VAL A 48 -4.517 4.506 -1.964 1.00 0.00 C ATOM 748 CG2 VAL A 48 -6.224 4.580 -3.796 1.00 0.00 C ATOM 0 H VAL A 48 -4.849 5.819 -5.718 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.035 6.958 -3.163 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.145 4.177 -4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.796 3.470 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.460 4.646 -1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.114 5.167 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.480 3.544 -3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.866 5.243 -3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.369 4.772 -4.859 1.00 0.00 H new ATOM 758 N ASN A 49 -2.674 7.686 -2.720 1.00 0.00 N ATOM 759 CA ASN A 49 -1.331 8.029 -2.268 1.00 0.00 C ATOM 760 C ASN A 49 -1.075 7.490 -0.864 1.00 0.00 C ATOM 761 O ASN A 49 -1.998 7.050 -0.179 1.00 0.00 O ATOM 762 CB ASN A 49 -1.135 9.547 -2.288 1.00 0.00 C ATOM 763 CG ASN A 49 -1.993 10.253 -1.256 1.00 0.00 C ATOM 764 OD1 ASN A 49 -3.216 10.116 -1.250 1.00 0.00 O ATOM 765 ND2 ASN A 49 -1.353 11.015 -0.376 1.00 0.00 N ATOM 0 H ASN A 49 -3.374 8.407 -2.547 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.617 7.568 -2.950 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.086 9.778 -2.104 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.376 9.929 -3.280 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.877 11.515 0.342 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.337 11.100 -0.418 1.00 0.00 H new ATOM 772 N GLY A 50 0.185 7.529 -0.441 1.00 0.00 N ATOM 773 CA GLY A 50 0.539 7.042 0.879 1.00 0.00 C ATOM 774 C GLY A 50 -0.387 7.567 1.959 1.00 0.00 C ATOM 775 O GLY A 50 -1.014 6.791 2.679 1.00 0.00 O ATOM 0 H GLY A 50 0.966 7.889 -0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.512 5.952 0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.563 7.336 1.109 1.00 0.00 H new ATOM 779 N ARG A 51 -0.471 8.888 2.072 1.00 0.00 N ATOM 780 CA ARG A 51 -1.325 9.516 3.074 1.00 0.00 C ATOM 781 C ARG A 51 -2.686 8.829 3.135 1.00 0.00 C ATOM 782 O ARG A 51 -3.221 8.583 4.217 1.00 0.00 O ATOM 783 CB ARG A 51 -1.506 11.003 2.762 1.00 0.00 C ATOM 784 CG ARG A 51 -1.725 11.862 3.996 1.00 0.00 C ATOM 785 CD ARG A 51 -3.153 11.750 4.506 1.00 0.00 C ATOM 786 NE ARG A 51 -3.491 12.830 5.430 1.00 0.00 N ATOM 787 CZ ARG A 51 -4.737 13.176 5.732 1.00 0.00 C ATOM 788 NH1 ARG A 51 -5.758 12.530 5.187 1.00 0.00 N ATOM 789 NH2 ARG A 51 -4.964 14.169 6.582 1.00 0.00 N ATOM 0 H ARG A 51 0.041 9.544 1.483 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.840 9.412 4.045 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.626 11.364 2.230 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.356 11.124 2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.032 11.557 4.780 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.502 12.903 3.761 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.842 11.767 3.661 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.285 10.791 5.006 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.728 13.347 5.867 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.588 11.765 4.534 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.714 12.798 5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.181 14.668 7.004 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.922 14.434 6.813 1.00 0.00 H new ATOM 803 N LEU A 52 -3.242 8.523 1.968 1.00 0.00 N ATOM 804 CA LEU A 52 -4.541 7.865 1.888 1.00 0.00 C ATOM 805 C LEU A 52 -4.437 6.402 2.305 1.00 0.00 C ATOM 806 O LEU A 52 -5.311 5.878 2.997 1.00 0.00 O ATOM 807 CB LEU A 52 -5.098 7.964 0.467 1.00 0.00 C ATOM 808 CG LEU A 52 -6.480 7.349 0.243 1.00 0.00 C ATOM 809 CD1 LEU A 52 -7.520 8.043 1.110 1.00 0.00 C ATOM 810 CD2 LEU A 52 -6.869 7.429 -1.226 1.00 0.00 C ATOM 0 H LEU A 52 -2.813 8.720 1.064 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.220 8.371 2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.141 9.017 0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.394 7.483 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.439 6.298 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.497 7.592 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.250 7.933 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.559 9.102 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.855 6.986 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.892 8.473 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.139 6.885 -1.826 1.00 0.00 H new ATOM 822 N LEU A 53 -3.362 5.746 1.881 1.00 0.00 N ATOM 823 CA LEU A 53 -3.142 4.343 2.212 1.00 0.00 C ATOM 824 C LEU A 53 -3.212 4.121 3.719 1.00 0.00 C ATOM 825 O LEU A 53 -3.786 3.137 4.187 1.00 0.00 O ATOM 826 CB LEU A 53 -1.784 3.880 1.680 1.00 0.00 C ATOM 827 CG LEU A 53 -1.465 2.395 1.857 1.00 0.00 C ATOM 828 CD1 LEU A 53 -2.336 1.549 0.942 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.009 2.131 1.587 1.00 0.00 C ATOM 0 H LEU A 53 -2.629 6.164 1.307 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.930 3.756 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.732 4.118 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.005 4.460 2.175 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.681 2.117 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.095 0.495 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.386 1.716 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.153 1.828 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.218 1.069 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.250 2.426 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.616 2.709 2.284 1.00 0.00 H new ATOM 841 N LEU A 54 -2.627 5.044 4.476 1.00 0.00 N ATOM 842 CA LEU A 54 -2.626 4.951 5.931 1.00 0.00 C ATOM 843 C LEU A 54 -4.034 5.125 6.490 1.00 0.00 C ATOM 844 O LEU A 54 -4.492 4.328 7.310 1.00 0.00 O ATOM 845 CB LEU A 54 -1.695 6.008 6.528 1.00 0.00 C ATOM 846 CG LEU A 54 -0.197 5.719 6.423 1.00 0.00 C ATOM 847 CD1 LEU A 54 0.612 6.922 6.883 1.00 0.00 C ATOM 848 CD2 LEU A 54 0.167 4.486 7.237 1.00 0.00 C ATOM 0 H LEU A 54 -2.148 5.865 4.106 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.266 3.960 6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.896 6.960 6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.948 6.133 7.581 1.00 0.00 H new ATOM 0 HG LEU A 54 0.043 5.523 5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.676 6.698 6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.373 7.782 6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.368 7.149 7.921 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.237 4.296 7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.088 4.652 8.283 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.386 3.625 6.861 1.00 0.00 H new ATOM 860 N THR A 55 -4.720 6.171 6.039 1.00 0.00 N ATOM 861 CA THR A 55 -6.077 6.449 6.492 1.00 0.00 C ATOM 862 C THR A 55 -7.007 5.279 6.193 1.00 0.00 C ATOM 863 O THR A 55 -8.053 5.126 6.825 1.00 0.00 O ATOM 864 CB THR A 55 -6.641 7.720 5.831 1.00 0.00 C ATOM 865 OG1 THR A 55 -6.827 7.502 4.428 1.00 0.00 O ATOM 866 CG2 THR A 55 -5.706 8.902 6.045 1.00 0.00 C ATOM 0 H THR A 55 -4.357 6.840 5.360 1.00 0.00 H new ATOM 0 HA THR A 55 -6.025 6.602 7.570 1.00 0.00 H new ATOM 0 HB THR A 55 -7.601 7.947 6.294 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.266 6.753 4.136 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.125 9.788 5.569 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.589 9.085 7.113 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.733 8.681 5.606 1.00 0.00 H new ATOM 874 N LEU A 56 -6.620 4.454 5.225 1.00 0.00 N ATOM 875 CA LEU A 56 -7.420 3.296 4.842 1.00 0.00 C ATOM 876 C LEU A 56 -7.349 2.208 5.909 1.00 0.00 C ATOM 877 O LEU A 56 -6.269 1.869 6.396 1.00 0.00 O ATOM 878 CB LEU A 56 -6.939 2.741 3.500 1.00 0.00 C ATOM 879 CG LEU A 56 -7.316 3.557 2.263 1.00 0.00 C ATOM 880 CD1 LEU A 56 -6.505 3.106 1.059 1.00 0.00 C ATOM 881 CD2 LEU A 56 -8.806 3.439 1.979 1.00 0.00 C ATOM 0 H LEU A 56 -5.758 4.566 4.692 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.457 3.618 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.853 2.651 3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.338 1.734 3.382 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.086 4.604 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.787 3.698 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.443 3.244 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.703 2.052 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.056 4.026 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.061 2.394 1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.370 3.812 2.834 1.00 0.00 H new ATOM 893 N THR A 57 -8.507 1.663 6.269 1.00 0.00 N ATOM 894 CA THR A 57 -8.577 0.613 7.278 1.00 0.00 C ATOM 895 C THR A 57 -8.967 -0.722 6.655 1.00 0.00 C ATOM 896 O THR A 57 -9.363 -0.782 5.491 1.00 0.00 O ATOM 897 CB THR A 57 -9.588 0.965 8.386 1.00 0.00 C ATOM 898 OG1 THR A 57 -10.901 1.087 7.829 1.00 0.00 O ATOM 899 CG2 THR A 57 -9.202 2.263 9.078 1.00 0.00 C ATOM 0 H THR A 57 -9.409 1.932 5.877 1.00 0.00 H new ATOM 0 HA THR A 57 -7.583 0.529 7.717 1.00 0.00 H new ATOM 0 HB THR A 57 -9.580 0.163 9.124 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.538 1.309 8.539 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.930 2.491 9.856 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.214 2.157 9.526 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.185 3.073 8.349 1.00 0.00 H new ATOM 907 N GLU A 58 -8.853 -1.791 7.437 1.00 0.00 N ATOM 908 CA GLU A 58 -9.194 -3.126 6.961 1.00 0.00 C ATOM 909 C GLU A 58 -10.599 -3.148 6.365 1.00 0.00 C ATOM 910 O GLU A 58 -10.966 -4.081 5.651 1.00 0.00 O ATOM 911 CB GLU A 58 -9.096 -4.140 8.102 1.00 0.00 C ATOM 912 CG GLU A 58 -9.555 -5.536 7.717 1.00 0.00 C ATOM 913 CD GLU A 58 -9.209 -6.574 8.767 1.00 0.00 C ATOM 914 OE1 GLU A 58 -8.130 -6.457 9.385 1.00 0.00 O ATOM 915 OE2 GLU A 58 -10.018 -7.504 8.971 1.00 0.00 O ATOM 0 H GLU A 58 -8.527 -1.758 8.403 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.483 -3.399 6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.063 -4.188 8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.695 -3.788 8.942 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.634 -5.529 7.560 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.096 -5.817 6.769 1.00 0.00 H new ATOM 922 N GLU A 59 -11.379 -2.115 6.665 1.00 0.00 N ATOM 923 CA GLU A 59 -12.744 -2.017 6.160 1.00 0.00 C ATOM 924 C GLU A 59 -12.778 -1.276 4.827 1.00 0.00 C ATOM 925 O GLU A 59 -13.248 -1.808 3.822 1.00 0.00 O ATOM 926 CB GLU A 59 -13.637 -1.302 7.177 1.00 0.00 C ATOM 927 CG GLU A 59 -14.722 -0.451 6.540 1.00 0.00 C ATOM 928 CD GLU A 59 -15.943 -0.302 7.428 1.00 0.00 C ATOM 929 OE1 GLU A 59 -16.556 -1.334 7.773 1.00 0.00 O ATOM 930 OE2 GLU A 59 -16.284 0.847 7.778 1.00 0.00 O ATOM 0 H GLU A 59 -11.090 -1.334 7.255 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.121 -3.028 6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.103 -2.045 7.825 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.016 -0.670 7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.319 0.536 6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.019 -0.898 5.592 1.00 0.00 H new ATOM 937 N GLU A 60 -12.278 -0.044 4.827 1.00 0.00 N ATOM 938 CA GLU A 60 -12.254 0.770 3.618 1.00 0.00 C ATOM 939 C GLU A 60 -11.727 -0.033 2.432 1.00 0.00 C ATOM 940 O GLU A 60 -12.254 0.059 1.323 1.00 0.00 O ATOM 941 CB GLU A 60 -11.388 2.014 3.831 1.00 0.00 C ATOM 942 CG GLU A 60 -11.903 2.934 4.925 1.00 0.00 C ATOM 943 CD GLU A 60 -13.317 3.415 4.664 1.00 0.00 C ATOM 944 OE1 GLU A 60 -13.636 3.715 3.495 1.00 0.00 O ATOM 945 OE2 GLU A 60 -14.104 3.492 5.631 1.00 0.00 O ATOM 0 H GLU A 60 -11.884 0.412 5.650 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.276 1.080 3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.373 1.702 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.331 2.571 2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.872 2.410 5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.240 3.795 5.012 1.00 0.00 H new ATOM 952 N PHE A 61 -10.683 -0.819 2.674 1.00 0.00 N ATOM 953 CA PHE A 61 -10.083 -1.637 1.626 1.00 0.00 C ATOM 954 C PHE A 61 -11.101 -2.620 1.054 1.00 0.00 C ATOM 955 O PHE A 61 -11.051 -2.964 -0.127 1.00 0.00 O ATOM 956 CB PHE A 61 -8.874 -2.398 2.174 1.00 0.00 C ATOM 957 CG PHE A 61 -7.661 -1.534 2.372 1.00 0.00 C ATOM 958 CD1 PHE A 61 -7.021 -0.958 1.287 1.00 0.00 C ATOM 959 CD2 PHE A 61 -7.162 -1.299 3.642 1.00 0.00 C ATOM 960 CE1 PHE A 61 -5.904 -0.163 1.465 1.00 0.00 C ATOM 961 CE2 PHE A 61 -6.047 -0.504 3.827 1.00 0.00 C ATOM 962 CZ PHE A 61 -5.416 0.064 2.737 1.00 0.00 C ATOM 0 H PHE A 61 -10.235 -0.907 3.586 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.754 -0.975 0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.144 -2.855 3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.625 -3.209 1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.399 -1.132 0.290 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.650 -1.742 4.498 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.414 0.280 0.611 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.669 -0.327 4.823 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.543 0.684 2.879 1.00 0.00 H new ATOM 972 N SER A 62 -12.023 -3.067 1.900 1.00 0.00 N ATOM 973 CA SER A 62 -13.050 -4.014 1.481 1.00 0.00 C ATOM 974 C SER A 62 -14.258 -3.284 0.904 1.00 0.00 C ATOM 975 O SER A 62 -15.331 -3.867 0.743 1.00 0.00 O ATOM 976 CB SER A 62 -13.482 -4.886 2.661 1.00 0.00 C ATOM 977 OG SER A 62 -14.551 -5.742 2.298 1.00 0.00 O ATOM 0 H SER A 62 -12.080 -2.789 2.880 1.00 0.00 H new ATOM 0 HA SER A 62 -12.627 -4.651 0.704 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.637 -5.481 3.006 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.786 -4.252 3.494 1.00 0.00 H new ATOM 0 HG SER A 62 -14.967 -5.415 1.473 1.00 0.00 H new ATOM 983 N ARG A 63 -14.076 -2.004 0.594 1.00 0.00 N ATOM 984 CA ARG A 63 -15.151 -1.193 0.036 1.00 0.00 C ATOM 985 C ARG A 63 -14.824 -0.765 -1.392 1.00 0.00 C ATOM 986 O ARG A 63 -13.659 -0.582 -1.744 1.00 0.00 O ATOM 987 CB ARG A 63 -15.393 0.041 0.907 1.00 0.00 C ATOM 988 CG ARG A 63 -15.722 -0.289 2.354 1.00 0.00 C ATOM 989 CD ARG A 63 -17.192 -0.641 2.524 1.00 0.00 C ATOM 990 NE ARG A 63 -17.671 -0.349 3.873 1.00 0.00 N ATOM 991 CZ ARG A 63 -18.957 -0.253 4.190 1.00 0.00 C ATOM 992 NH1 ARG A 63 -19.888 -0.425 3.261 1.00 0.00 N ATOM 993 NH2 ARG A 63 -19.315 0.015 5.439 1.00 0.00 N ATOM 0 H ARG A 63 -13.194 -1.507 0.720 1.00 0.00 H new ATOM 0 HA ARG A 63 -16.057 -1.799 0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.506 0.674 0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -16.211 0.621 0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.106 -1.124 2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -15.475 0.563 2.988 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.785 -0.082 1.800 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -17.339 -1.699 2.308 1.00 0.00 H new ATOM 0 HE ARG A 63 -16.980 -0.211 4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -19.617 -0.632 2.300 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -20.875 -0.351 3.508 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -18.602 0.147 6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -20.303 0.089 5.682 1.00 0.00 H new ATOM 1007 N ALA A 64 -15.861 -0.607 -2.209 1.00 0.00 N ATOM 1008 CA ALA A 64 -15.684 -0.199 -3.597 1.00 0.00 C ATOM 1009 C ALA A 64 -14.975 1.148 -3.687 1.00 0.00 C ATOM 1010 O ALA A 64 -15.062 1.984 -2.787 1.00 0.00 O ATOM 1011 CB ALA A 64 -17.029 -0.139 -4.305 1.00 0.00 C ATOM 0 H ALA A 64 -16.832 -0.755 -1.933 1.00 0.00 H new ATOM 0 HA ALA A 64 -15.059 -0.942 -4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -16.882 0.167 -5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.497 -1.123 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.673 0.582 -3.802 1.00 0.00 H new ATOM 1017 N PRO A 65 -14.257 1.367 -4.799 1.00 0.00 N ATOM 1018 CA PRO A 65 -14.146 0.379 -5.876 1.00 0.00 C ATOM 1019 C PRO A 65 -13.324 -0.837 -5.466 1.00 0.00 C ATOM 1020 O PRO A 65 -13.571 -1.951 -5.929 1.00 0.00 O ATOM 1021 CB PRO A 65 -13.439 1.151 -6.993 1.00 0.00 C ATOM 1022 CG PRO A 65 -12.674 2.219 -6.290 1.00 0.00 C ATOM 1023 CD PRO A 65 -13.497 2.594 -5.088 1.00 0.00 C ATOM 0 HA PRO A 65 -15.118 -0.021 -6.164 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.777 0.501 -7.565 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.156 1.575 -7.696 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.688 1.862 -5.992 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.518 3.080 -6.940 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.869 2.885 -4.246 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.157 3.435 -5.299 1.00 0.00 H new ATOM 1031 N TYR A 66 -12.346 -0.618 -4.594 1.00 0.00 N ATOM 1032 CA TYR A 66 -11.486 -1.696 -4.123 1.00 0.00 C ATOM 1033 C TYR A 66 -12.284 -2.981 -3.921 1.00 0.00 C ATOM 1034 O TYR A 66 -11.857 -4.062 -4.328 1.00 0.00 O ATOM 1035 CB TYR A 66 -10.802 -1.297 -2.814 1.00 0.00 C ATOM 1036 CG TYR A 66 -10.498 0.181 -2.717 1.00 0.00 C ATOM 1037 CD1 TYR A 66 -9.644 0.797 -3.624 1.00 0.00 C ATOM 1038 CD2 TYR A 66 -11.064 0.962 -1.717 1.00 0.00 C ATOM 1039 CE1 TYR A 66 -9.363 2.146 -3.538 1.00 0.00 C ATOM 1040 CE2 TYR A 66 -10.790 2.313 -1.624 1.00 0.00 C ATOM 1041 CZ TYR A 66 -9.939 2.901 -2.537 1.00 0.00 C ATOM 1042 OH TYR A 66 -9.663 4.246 -2.448 1.00 0.00 O ATOM 0 H TYR A 66 -12.129 0.297 -4.199 1.00 0.00 H new ATOM 0 HA TYR A 66 -10.725 -1.877 -4.882 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.440 -1.584 -1.978 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.873 -1.858 -2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.192 0.210 -4.410 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -11.730 0.505 -1.000 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.696 2.608 -4.251 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -11.240 2.906 -0.841 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.149 4.630 -1.689 1.00 0.00 H new ATOM 1052 N THR A 67 -13.447 -2.854 -3.289 1.00 0.00 N ATOM 1053 CA THR A 67 -14.306 -4.003 -3.032 1.00 0.00 C ATOM 1054 C THR A 67 -13.481 -5.262 -2.786 1.00 0.00 C ATOM 1055 O THR A 67 -13.875 -6.360 -3.181 1.00 0.00 O ATOM 1056 CB THR A 67 -15.271 -4.257 -4.205 1.00 0.00 C ATOM 1057 OG1 THR A 67 -16.258 -5.224 -3.827 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.516 -4.747 -5.431 1.00 0.00 C ATOM 0 H THR A 67 -13.815 -1.967 -2.946 1.00 0.00 H new ATOM 0 HA THR A 67 -14.885 -3.771 -2.138 1.00 0.00 H new ATOM 0 HB THR A 67 -15.762 -3.316 -4.453 1.00 0.00 H new ATOM 0 HG1 THR A 67 -15.815 -6.013 -3.449 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.219 -4.919 -6.246 1.00 0.00 H new ATOM 0 HG22 THR A 67 -13.787 -3.996 -5.734 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.001 -5.678 -5.193 1.00 0.00 H new ATOM 1066 N ILE A 68 -12.337 -5.095 -2.132 1.00 0.00 N ATOM 1067 CA ILE A 68 -11.459 -6.219 -1.832 1.00 0.00 C ATOM 1068 C ILE A 68 -12.243 -7.390 -1.248 1.00 0.00 C ATOM 1069 O ILE A 68 -12.439 -7.476 -0.036 1.00 0.00 O ATOM 1070 CB ILE A 68 -10.348 -5.818 -0.844 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -9.298 -4.954 -1.547 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -9.704 -7.056 -0.239 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -8.240 -4.409 -0.613 1.00 0.00 C ATOM 0 H ILE A 68 -11.996 -4.193 -1.800 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.004 -6.523 -2.775 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.792 -5.234 -0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.815 -5.545 -2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.797 -4.121 -2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.921 -6.755 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -10.459 -7.636 0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.270 -7.665 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.530 -3.807 -1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.712 -3.791 0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.715 -5.236 -0.136 1.00 0.00 H new ATOM 1085 N GLU A 69 -12.689 -8.290 -2.120 1.00 0.00 N ATOM 1086 CA GLU A 69 -13.451 -9.456 -1.690 1.00 0.00 C ATOM 1087 C GLU A 69 -12.520 -10.594 -1.282 1.00 0.00 C ATOM 1088 O GLU A 69 -12.917 -11.759 -1.267 1.00 0.00 O ATOM 1089 CB GLU A 69 -14.386 -9.922 -2.808 1.00 0.00 C ATOM 1090 CG GLU A 69 -15.263 -8.816 -3.370 1.00 0.00 C ATOM 1091 CD GLU A 69 -16.567 -9.338 -3.939 1.00 0.00 C ATOM 1092 OE1 GLU A 69 -16.564 -10.448 -4.512 1.00 0.00 O ATOM 1093 OE2 GLU A 69 -17.593 -8.636 -3.811 1.00 0.00 O ATOM 0 H GLU A 69 -12.536 -8.234 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.047 -9.170 -0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.789 -10.346 -3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.023 -10.721 -2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.478 -8.093 -2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.717 -8.286 -4.150 1.00 0.00 H new ATOM 1100 N ASN A 70 -11.280 -10.247 -0.952 1.00 0.00 N ATOM 1101 CA ASN A 70 -10.292 -11.240 -0.545 1.00 0.00 C ATOM 1102 C ASN A 70 -9.570 -10.799 0.725 1.00 0.00 C ATOM 1103 O ASN A 70 -8.715 -9.915 0.690 1.00 0.00 O ATOM 1104 CB ASN A 70 -9.278 -11.470 -1.667 1.00 0.00 C ATOM 1105 CG ASN A 70 -8.180 -12.435 -1.265 1.00 0.00 C ATOM 1106 OD1 ASN A 70 -7.019 -12.049 -1.127 1.00 0.00 O ATOM 1107 ND2 ASN A 70 -8.543 -13.699 -1.075 1.00 0.00 N ATOM 0 H ASN A 70 -10.936 -9.287 -0.958 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.815 -12.174 -0.340 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.794 -11.857 -2.546 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.833 -10.517 -1.952 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.848 -14.394 -0.803 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.517 -13.974 -1.201 1.00 0.00 H new ATOM 1114 N SER A 71 -9.921 -11.423 1.845 1.00 0.00 N ATOM 1115 CA SER A 71 -9.309 -11.093 3.127 1.00 0.00 C ATOM 1116 C SER A 71 -7.789 -11.180 3.042 1.00 0.00 C ATOM 1117 O SER A 71 -7.086 -10.196 3.272 1.00 0.00 O ATOM 1118 CB SER A 71 -9.825 -12.033 4.219 1.00 0.00 C ATOM 1119 OG SER A 71 -10.986 -11.508 4.838 1.00 0.00 O ATOM 0 H SER A 71 -10.625 -12.159 1.891 1.00 0.00 H new ATOM 0 HA SER A 71 -9.583 -10.069 3.380 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.049 -13.008 3.787 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.048 -12.187 4.968 1.00 0.00 H new ATOM 0 HG SER A 71 -11.296 -12.128 5.530 1.00 0.00 H new ATOM 1125 N SER A 72 -7.287 -12.365 2.709 1.00 0.00 N ATOM 1126 CA SER A 72 -5.850 -12.583 2.597 1.00 0.00 C ATOM 1127 C SER A 72 -5.156 -11.348 2.029 1.00 0.00 C ATOM 1128 O SER A 72 -4.098 -10.941 2.509 1.00 0.00 O ATOM 1129 CB SER A 72 -5.565 -13.796 1.709 1.00 0.00 C ATOM 1130 OG SER A 72 -5.945 -14.999 2.353 1.00 0.00 O ATOM 0 H SER A 72 -7.855 -13.189 2.512 1.00 0.00 H new ATOM 0 HA SER A 72 -5.457 -12.772 3.596 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.106 -13.697 0.768 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.503 -13.830 1.464 1.00 0.00 H new ATOM 0 HG SER A 72 -5.754 -15.759 1.765 1.00 0.00 H new ATOM 1136 N HIS A 73 -5.760 -10.758 1.003 1.00 0.00 N ATOM 1137 CA HIS A 73 -5.202 -9.569 0.368 1.00 0.00 C ATOM 1138 C HIS A 73 -5.106 -8.416 1.363 1.00 0.00 C ATOM 1139 O HIS A 73 -4.086 -7.731 1.437 1.00 0.00 O ATOM 1140 CB HIS A 73 -6.058 -9.154 -0.829 1.00 0.00 C ATOM 1141 CG HIS A 73 -5.528 -7.958 -1.559 1.00 0.00 C ATOM 1142 ND1 HIS A 73 -4.596 -7.859 -2.535 1.00 0.00 N flip ATOM 1143 CD2 HIS A 73 -5.959 -6.673 -1.309 1.00 0.00 C flip ATOM 1144 CE1 HIS A 73 -4.482 -6.528 -2.855 1.00 0.00 C flip ATOM 1145 NE2 HIS A 73 -5.316 -5.834 -2.101 1.00 0.00 N flip ATOM 0 H HIS A 73 -6.636 -11.083 0.593 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.198 -9.811 0.020 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.128 -9.992 -1.523 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.070 -8.940 -0.485 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -4.075 -8.629 -2.955 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.706 -6.395 -0.580 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.819 -6.116 -3.601 1.00 0.00 H new ATOM 1154 N ARG A 74 -6.174 -8.208 2.126 1.00 0.00 N ATOM 1155 CA ARG A 74 -6.211 -7.138 3.114 1.00 0.00 C ATOM 1156 C ARG A 74 -5.151 -7.355 4.191 1.00 0.00 C ATOM 1157 O ARG A 74 -4.443 -6.425 4.576 1.00 0.00 O ATOM 1158 CB ARG A 74 -7.597 -7.055 3.757 1.00 0.00 C ATOM 1159 CG ARG A 74 -8.602 -6.263 2.937 1.00 0.00 C ATOM 1160 CD ARG A 74 -9.901 -6.054 3.700 1.00 0.00 C ATOM 1161 NE ARG A 74 -10.813 -7.185 3.550 1.00 0.00 N ATOM 1162 CZ ARG A 74 -11.843 -7.411 4.357 1.00 0.00 C ATOM 1163 NH1 ARG A 74 -12.091 -6.588 5.367 1.00 0.00 N ATOM 1164 NH2 ARG A 74 -12.627 -8.462 4.156 1.00 0.00 N ATOM 0 H ARG A 74 -7.026 -8.767 2.078 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.999 -6.199 2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.979 -8.065 3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.504 -6.598 4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.175 -5.296 2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.807 -6.788 2.004 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.680 -5.904 4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.388 -5.146 3.344 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.650 -7.837 2.783 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.490 -5.779 5.525 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.883 -6.764 5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.439 -9.098 3.381 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.418 -8.634 4.777 1.00 0.00 H new ATOM 1178 N ARG A 75 -5.049 -8.590 4.672 1.00 0.00 N ATOM 1179 CA ARG A 75 -4.077 -8.929 5.705 1.00 0.00 C ATOM 1180 C ARG A 75 -2.667 -8.539 5.273 1.00 0.00 C ATOM 1181 O ARG A 75 -1.917 -7.934 6.040 1.00 0.00 O ATOM 1182 CB ARG A 75 -4.132 -10.426 6.014 1.00 0.00 C ATOM 1183 CG ARG A 75 -3.492 -10.798 7.342 1.00 0.00 C ATOM 1184 CD ARG A 75 -1.991 -10.998 7.200 1.00 0.00 C ATOM 1185 NE ARG A 75 -1.350 -11.258 8.487 1.00 0.00 N ATOM 1186 CZ ARG A 75 -1.451 -12.411 9.139 1.00 0.00 C ATOM 1187 NH1 ARG A 75 -2.163 -13.405 8.627 1.00 0.00 N ATOM 1188 NH2 ARG A 75 -0.839 -12.571 10.305 1.00 0.00 N ATOM 0 H ARG A 75 -5.627 -9.372 4.363 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.330 -8.369 6.606 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.173 -10.749 6.019 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.632 -10.972 5.214 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.688 -10.014 8.074 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.948 -11.712 7.723 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.798 -11.831 6.524 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.548 -10.111 6.747 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.794 -10.513 8.908 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.635 -13.285 7.731 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.239 -14.289 9.129 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.290 -11.808 10.702 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.917 -13.457 10.805 1.00 0.00 H new ATOM 1202 N VAL A 76 -2.312 -8.889 4.041 1.00 0.00 N ATOM 1203 CA VAL A 76 -0.992 -8.575 3.508 1.00 0.00 C ATOM 1204 C VAL A 76 -0.742 -7.071 3.508 1.00 0.00 C ATOM 1205 O VAL A 76 0.312 -6.607 3.942 1.00 0.00 O ATOM 1206 CB VAL A 76 -0.824 -9.112 2.074 1.00 0.00 C ATOM 1207 CG1 VAL A 76 0.568 -8.800 1.546 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -1.097 -10.608 2.030 1.00 0.00 C ATOM 0 H VAL A 76 -2.920 -9.390 3.393 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.265 -9.061 4.158 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.550 -8.614 1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.668 -9.187 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.721 -7.721 1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.314 -9.268 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.974 -10.970 1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.397 -11.125 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.117 -10.802 2.363 1.00 0.00 H new ATOM 1218 N ILE A 77 -1.720 -6.315 3.019 1.00 0.00 N ATOM 1219 CA ILE A 77 -1.606 -4.863 2.965 1.00 0.00 C ATOM 1220 C ILE A 77 -1.565 -4.262 4.366 1.00 0.00 C ATOM 1221 O ILE A 77 -0.582 -3.626 4.752 1.00 0.00 O ATOM 1222 CB ILE A 77 -2.777 -4.236 2.184 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -2.644 -4.541 0.691 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -2.827 -2.734 2.421 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -3.891 -4.223 -0.104 1.00 0.00 C ATOM 0 H ILE A 77 -2.599 -6.684 2.655 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.673 -4.638 2.449 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.709 -4.672 2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.809 -3.971 0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.401 -5.596 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.659 -2.305 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.964 -2.538 3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.894 -2.281 2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.724 -4.464 -1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.725 -4.813 0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.123 -3.162 -0.008 1.00 0.00 H new ATOM 1237 N LEU A 78 -2.635 -4.468 5.124 1.00 0.00 N ATOM 1238 CA LEU A 78 -2.721 -3.948 6.485 1.00 0.00 C ATOM 1239 C LEU A 78 -1.502 -4.360 7.303 1.00 0.00 C ATOM 1240 O LEU A 78 -0.751 -3.514 7.789 1.00 0.00 O ATOM 1241 CB LEU A 78 -3.998 -4.448 7.163 1.00 0.00 C ATOM 1242 CG LEU A 78 -5.249 -3.596 6.949 1.00 0.00 C ATOM 1243 CD1 LEU A 78 -5.082 -2.229 7.594 1.00 0.00 C ATOM 1244 CD2 LEU A 78 -5.550 -3.454 5.464 1.00 0.00 C ATOM 0 H LEU A 78 -3.456 -4.991 4.820 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.748 -2.860 6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.204 -5.457 6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.812 -4.522 8.234 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.092 -4.098 7.424 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.983 -1.637 7.431 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.916 -2.350 8.665 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.227 -1.719 7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.444 -2.844 5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.707 -2.975 4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.715 -4.440 5.030 1.00 0.00 H new ATOM 1256 N THR A 79 -1.308 -5.667 7.450 1.00 0.00 N ATOM 1257 CA THR A 79 -0.180 -6.193 8.208 1.00 0.00 C ATOM 1258 C THR A 79 1.115 -5.483 7.829 1.00 0.00 C ATOM 1259 O THR A 79 1.751 -4.844 8.667 1.00 0.00 O ATOM 1260 CB THR A 79 -0.007 -7.706 7.982 1.00 0.00 C ATOM 1261 OG1 THR A 79 -1.160 -8.408 8.462 1.00 0.00 O ATOM 1262 CG2 THR A 79 1.237 -8.221 8.690 1.00 0.00 C ATOM 0 H THR A 79 -1.919 -6.381 7.053 1.00 0.00 H new ATOM 0 HA THR A 79 -0.396 -6.013 9.261 1.00 0.00 H new ATOM 0 HB THR A 79 0.105 -7.880 6.912 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.884 -8.335 7.806 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.338 -9.292 8.516 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.116 -7.706 8.302 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.150 -8.034 9.760 1.00 0.00 H new ATOM 1270 N GLU A 80 1.499 -5.599 6.562 1.00 0.00 N ATOM 1271 CA GLU A 80 2.719 -4.968 6.073 1.00 0.00 C ATOM 1272 C GLU A 80 2.720 -3.473 6.383 1.00 0.00 C ATOM 1273 O GLU A 80 3.751 -2.903 6.742 1.00 0.00 O ATOM 1274 CB GLU A 80 2.865 -5.187 4.566 1.00 0.00 C ATOM 1275 CG GLU A 80 3.244 -6.610 4.192 1.00 0.00 C ATOM 1276 CD GLU A 80 4.744 -6.815 4.119 1.00 0.00 C ATOM 1277 OE1 GLU A 80 5.473 -5.811 3.973 1.00 0.00 O ATOM 1278 OE2 GLU A 80 5.190 -7.978 4.206 1.00 0.00 O ATOM 0 H GLU A 80 0.983 -6.124 5.856 1.00 0.00 H new ATOM 0 HA GLU A 80 3.565 -5.429 6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.925 -4.930 4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.622 -4.505 4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.822 -7.298 4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.800 -6.859 3.228 1.00 0.00 H new ATOM 1285 N LEU A 81 1.558 -2.845 6.241 1.00 0.00 N ATOM 1286 CA LEU A 81 1.424 -1.417 6.505 1.00 0.00 C ATOM 1287 C LEU A 81 1.677 -1.109 7.977 1.00 0.00 C ATOM 1288 O LEU A 81 2.243 -0.070 8.315 1.00 0.00 O ATOM 1289 CB LEU A 81 0.029 -0.933 6.103 1.00 0.00 C ATOM 1290 CG LEU A 81 -0.083 -0.277 4.727 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -1.538 -0.196 4.291 1.00 0.00 C ATOM 1292 CD2 LEU A 81 0.549 1.107 4.742 1.00 0.00 C ATOM 0 H LEU A 81 0.696 -3.302 5.945 1.00 0.00 H new ATOM 0 HA LEU A 81 2.170 -0.891 5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.652 -1.784 6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.316 -0.221 6.852 1.00 0.00 H new ATOM 0 HG LEU A 81 0.457 -0.893 4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.598 0.274 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.959 -1.200 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.101 0.397 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.460 1.558 3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.038 1.732 5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.603 1.023 5.009 1.00 0.00 H new ATOM 1304 N GLU A 82 1.255 -2.020 8.848 1.00 0.00 N ATOM 1305 CA GLU A 82 1.438 -1.846 10.284 1.00 0.00 C ATOM 1306 C GLU A 82 2.920 -1.828 10.646 1.00 0.00 C ATOM 1307 O GLU A 82 3.324 -1.201 11.625 1.00 0.00 O ATOM 1308 CB GLU A 82 0.727 -2.963 11.051 1.00 0.00 C ATOM 1309 CG GLU A 82 1.173 -3.087 12.498 1.00 0.00 C ATOM 1310 CD GLU A 82 0.076 -3.613 13.403 1.00 0.00 C ATOM 1311 OE1 GLU A 82 -0.710 -2.791 13.921 1.00 0.00 O ATOM 1312 OE2 GLU A 82 0.003 -4.844 13.595 1.00 0.00 O ATOM 0 H GLU A 82 0.784 -2.886 8.584 1.00 0.00 H new ATOM 0 HA GLU A 82 1.002 -0.888 10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.348 -2.783 11.025 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.904 -3.911 10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.035 -3.752 12.553 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.500 -2.112 12.858 1.00 0.00 H new ATOM 1319 N ARG A 83 3.726 -2.522 9.849 1.00 0.00 N ATOM 1320 CA ARG A 83 5.163 -2.589 10.085 1.00 0.00 C ATOM 1321 C ARG A 83 5.863 -1.353 9.527 1.00 0.00 C ATOM 1322 O ARG A 83 6.572 -0.650 10.247 1.00 0.00 O ATOM 1323 CB ARG A 83 5.748 -3.851 9.449 1.00 0.00 C ATOM 1324 CG ARG A 83 5.031 -5.127 9.858 1.00 0.00 C ATOM 1325 CD ARG A 83 5.963 -6.329 9.812 1.00 0.00 C ATOM 1326 NE ARG A 83 6.887 -6.348 10.942 1.00 0.00 N ATOM 1327 CZ ARG A 83 7.588 -7.418 11.300 1.00 0.00 C ATOM 1328 NH1 ARG A 83 7.470 -8.550 10.619 1.00 0.00 N ATOM 1329 NH2 ARG A 83 8.409 -7.358 12.341 1.00 0.00 N ATOM 0 H ARG A 83 3.408 -3.046 9.034 1.00 0.00 H new ATOM 0 HA ARG A 83 5.328 -2.624 11.162 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.708 -3.753 8.364 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.800 -3.932 9.723 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.631 -5.014 10.866 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.183 -5.297 9.195 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.373 -7.245 9.811 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.529 -6.313 8.881 1.00 0.00 H new ATOM 0 HE ARG A 83 7.001 -5.493 11.486 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.840 -8.600 9.818 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.009 -9.370 10.896 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.502 -6.489 12.867 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.947 -8.181 12.615 1.00 0.00 H new ATOM 1343 N VAL A 84 5.660 -1.096 8.239 1.00 0.00 N ATOM 1344 CA VAL A 84 6.271 0.055 7.584 1.00 0.00 C ATOM 1345 C VAL A 84 5.967 1.343 8.340 1.00 0.00 C ATOM 1346 O VAL A 84 6.811 2.235 8.431 1.00 0.00 O ATOM 1347 CB VAL A 84 5.783 0.198 6.130 1.00 0.00 C ATOM 1348 CG1 VAL A 84 6.282 -0.962 5.282 1.00 0.00 C ATOM 1349 CG2 VAL A 84 4.265 0.287 6.085 1.00 0.00 C ATOM 0 H VAL A 84 5.077 -1.669 7.628 1.00 0.00 H new ATOM 0 HA VAL A 84 7.347 -0.116 7.583 1.00 0.00 H new ATOM 0 HB VAL A 84 6.192 1.120 5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.927 -0.843 4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.372 -0.975 5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.905 -1.900 5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.937 0.388 5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.835 -0.617 6.516 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.934 1.154 6.657 1.00 0.00 H new ATOM 1359 N ARG A 85 4.757 1.434 8.880 1.00 0.00 N ATOM 1360 CA ARG A 85 4.340 2.614 9.628 1.00 0.00 C ATOM 1361 C ARG A 85 4.770 2.512 11.088 1.00 0.00 C ATOM 1362 O ARG A 85 5.463 1.572 11.477 1.00 0.00 O ATOM 1363 CB ARG A 85 2.823 2.789 9.543 1.00 0.00 C ATOM 1364 CG ARG A 85 2.065 2.080 10.654 1.00 0.00 C ATOM 1365 CD ARG A 85 0.598 1.896 10.298 1.00 0.00 C ATOM 1366 NE ARG A 85 -0.196 1.478 11.450 1.00 0.00 N ATOM 1367 CZ ARG A 85 -1.524 1.438 11.451 1.00 0.00 C ATOM 1368 NH1 ARG A 85 -2.202 1.788 10.367 1.00 0.00 N ATOM 1369 NH2 ARG A 85 -2.176 1.046 12.538 1.00 0.00 N ATOM 0 H ARG A 85 4.047 0.704 8.814 1.00 0.00 H new ATOM 0 HA ARG A 85 4.824 3.484 9.184 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.586 3.852 9.574 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.476 2.413 8.581 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.519 1.107 10.843 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.147 2.655 11.576 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.201 2.831 9.904 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.508 1.152 9.506 1.00 0.00 H new ATOM 0 HE ARG A 85 0.296 1.202 12.300 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.704 2.089 9.529 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.221 1.756 10.371 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.658 0.775 13.374 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.196 1.016 12.538 1.00 0.00 H new