USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 490 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 59 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 63 SER OG : rot 151:sc= 0.628 USER MOD Set 2.1: A 39 HIS : no HE2:sc= -4.31 K(o=-5.2,f=-6.7!) USER MOD Set 2.2: A 43 ASN :FLIP amide:sc= -0.851 F(o=-6.7,f=-5.2) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 30:sc= 0.414 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -61:sc= 1.25 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 78:sc= -0.463 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -169:sc= -0.0127 (180deg=-0.143) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= -0.0164 (180deg=-0.223) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 65:sc= 0.0611 USER MOD ----------------------------------------------------------------- ATOM 147 N LYS A 11 1.185 -7.588 0.121 1.00 0.00 N ATOM 148 CA LYS A 11 1.851 -6.354 0.497 1.00 0.00 C ATOM 149 C LYS A 11 1.048 -5.563 1.500 1.00 0.00 C ATOM 150 O LYS A 11 1.609 -4.941 2.363 1.00 0.00 O ATOM 151 CB LYS A 11 2.145 -5.497 -0.714 1.00 0.00 C ATOM 152 CG LYS A 11 3.186 -6.097 -1.638 1.00 0.00 C ATOM 153 CD LYS A 11 3.474 -5.197 -2.827 1.00 0.00 C ATOM 154 CE LYS A 11 4.529 -5.811 -3.733 1.00 0.00 C ATOM 155 NZ LYS A 11 4.833 -4.950 -4.902 1.00 0.00 N ATOM 0 HA LYS A 11 2.794 -6.639 0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.222 -5.341 -1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.487 -4.517 -0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.108 -6.271 -1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.840 -7.068 -1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.557 -5.030 -3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.814 -4.223 -2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.442 -5.981 -3.162 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.185 -6.785 -4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.557 -5.408 -5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.969 -4.808 -5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.187 -4.029 -4.572 1.00 0.00 H new ATOM 169 N PHE A 12 -0.265 -5.590 1.386 1.00 0.00 N ATOM 170 CA PHE A 12 -1.097 -4.864 2.330 1.00 0.00 C ATOM 171 C PHE A 12 -0.978 -5.451 3.728 1.00 0.00 C ATOM 172 O PHE A 12 -0.999 -4.718 4.719 1.00 0.00 O ATOM 173 CB PHE A 12 -2.552 -4.777 1.880 1.00 0.00 C ATOM 174 CG PHE A 12 -2.805 -3.662 0.903 1.00 0.00 C ATOM 175 CD1 PHE A 12 -2.457 -2.365 1.234 1.00 0.00 C ATOM 176 CD2 PHE A 12 -3.414 -3.895 -0.316 1.00 0.00 C ATOM 177 CE1 PHE A 12 -2.705 -1.320 0.377 1.00 0.00 C ATOM 178 CE2 PHE A 12 -3.663 -2.847 -1.187 1.00 0.00 C ATOM 179 CZ PHE A 12 -3.307 -1.556 -0.833 1.00 0.00 C ATOM 0 H PHE A 12 -0.774 -6.097 0.662 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.723 -3.841 2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.842 -5.724 1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.188 -4.637 2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.981 -2.170 2.184 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.697 -4.900 -0.591 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.426 -0.314 0.655 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.134 -3.036 -2.140 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.503 -0.736 -1.509 1.00 0.00 H new ATOM 189 N TYR A 13 -0.830 -6.774 3.805 1.00 0.00 N ATOM 190 CA TYR A 13 -0.636 -7.417 5.092 1.00 0.00 C ATOM 191 C TYR A 13 0.751 -7.044 5.611 1.00 0.00 C ATOM 192 O TYR A 13 0.932 -6.745 6.786 1.00 0.00 O ATOM 193 CB TYR A 13 -0.762 -8.946 4.987 1.00 0.00 C ATOM 194 CG TYR A 13 -2.147 -9.456 4.617 1.00 0.00 C ATOM 195 CD1 TYR A 13 -2.455 -9.802 3.311 1.00 0.00 C ATOM 196 CD2 TYR A 13 -3.136 -9.607 5.582 1.00 0.00 C ATOM 197 CE1 TYR A 13 -3.705 -10.287 2.973 1.00 0.00 C ATOM 198 CE2 TYR A 13 -4.393 -10.087 5.253 1.00 0.00 C ATOM 199 CZ TYR A 13 -4.670 -10.427 3.946 1.00 0.00 C ATOM 200 OH TYR A 13 -5.918 -10.915 3.609 1.00 0.00 O ATOM 0 H TYR A 13 -0.841 -7.406 3.004 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.410 -7.074 5.779 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.050 -9.303 4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.473 -9.385 5.942 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.704 -9.691 2.542 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.920 -9.345 6.607 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.924 -10.555 1.950 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.151 -10.194 6.015 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.835 -11.528 2.849 1.00 0.00 H new ATOM 210 N ASP A 14 1.718 -7.045 4.695 1.00 0.00 N ATOM 211 CA ASP A 14 3.105 -6.661 4.993 1.00 0.00 C ATOM 212 C ASP A 14 3.202 -5.228 5.495 1.00 0.00 C ATOM 213 O ASP A 14 3.889 -4.951 6.476 1.00 0.00 O ATOM 214 CB ASP A 14 3.972 -6.802 3.747 1.00 0.00 C ATOM 215 CG ASP A 14 5.413 -6.418 4.007 1.00 0.00 C ATOM 216 OD1 ASP A 14 6.108 -7.150 4.742 1.00 0.00 O ATOM 217 OD2 ASP A 14 5.862 -5.388 3.469 1.00 0.00 O ATOM 0 H ASP A 14 1.566 -7.312 3.722 1.00 0.00 H new ATOM 0 HA ASP A 14 3.459 -7.330 5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.931 -7.832 3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.568 -6.175 2.952 1.00 0.00 H new ATOM 222 N ILE A 15 2.512 -4.328 4.816 1.00 0.00 N ATOM 223 CA ILE A 15 2.518 -2.918 5.161 1.00 0.00 C ATOM 224 C ILE A 15 1.993 -2.695 6.576 1.00 0.00 C ATOM 225 O ILE A 15 2.615 -1.987 7.371 1.00 0.00 O ATOM 226 CB ILE A 15 1.690 -2.101 4.129 1.00 0.00 C ATOM 227 CG1 ILE A 15 2.422 -2.063 2.784 1.00 0.00 C ATOM 228 CG2 ILE A 15 1.404 -0.689 4.633 1.00 0.00 C ATOM 229 CD1 ILE A 15 1.585 -1.504 1.653 1.00 0.00 C ATOM 0 H ILE A 15 1.931 -4.555 4.009 1.00 0.00 H new ATOM 0 HA ILE A 15 3.549 -2.567 5.130 1.00 0.00 H new ATOM 0 HB ILE A 15 0.729 -2.597 3.994 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.325 -1.461 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.740 -3.073 2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.824 -0.147 3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.839 -0.742 5.563 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.345 -0.168 4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.168 -1.508 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.695 -2.119 1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.288 -0.482 1.890 1.00 0.00 H new ATOM 241 N LEU A 16 0.861 -3.300 6.889 1.00 0.00 N ATOM 242 CA LEU A 16 0.338 -3.238 8.244 1.00 0.00 C ATOM 243 C LEU A 16 1.224 -4.006 9.228 1.00 0.00 C ATOM 244 O LEU A 16 1.270 -3.681 10.412 1.00 0.00 O ATOM 245 CB LEU A 16 -1.114 -3.725 8.322 1.00 0.00 C ATOM 246 CG LEU A 16 -2.165 -2.843 7.634 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.538 -3.470 7.763 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.163 -1.441 8.229 1.00 0.00 C ATOM 0 H LEU A 16 0.291 -3.834 6.233 1.00 0.00 H new ATOM 0 HA LEU A 16 0.348 -2.187 8.535 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.164 -4.722 7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.386 -3.824 9.373 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.913 -2.765 6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.275 -2.836 7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.534 -4.453 7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.793 -3.573 8.818 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.915 -0.832 7.727 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.392 -1.497 9.293 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.180 -0.989 8.093 1.00 0.00 H new ATOM 260 N GLY A 17 1.942 -5.001 8.735 1.00 0.00 N ATOM 261 CA GLY A 17 2.785 -5.792 9.605 1.00 0.00 C ATOM 262 C GLY A 17 2.023 -6.944 10.204 1.00 0.00 C ATOM 263 O GLY A 17 2.384 -7.467 11.261 1.00 0.00 O ATOM 0 H GLY A 17 1.957 -5.275 7.753 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.638 -6.171 9.042 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.182 -5.162 10.401 1.00 0.00 H new ATOM 267 N VAL A 18 0.963 -7.325 9.531 1.00 0.00 N ATOM 268 CA VAL A 18 0.101 -8.403 9.973 1.00 0.00 C ATOM 269 C VAL A 18 0.270 -9.633 9.094 1.00 0.00 C ATOM 270 O VAL A 18 0.736 -9.535 7.959 1.00 0.00 O ATOM 271 CB VAL A 18 -1.384 -7.979 9.972 1.00 0.00 C ATOM 272 CG1 VAL A 18 -1.611 -6.874 10.966 1.00 0.00 C ATOM 273 CG2 VAL A 18 -1.826 -7.545 8.582 1.00 0.00 C ATOM 0 H VAL A 18 0.670 -6.894 8.654 1.00 0.00 H new ATOM 0 HA VAL A 18 0.396 -8.645 10.994 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.985 -8.841 10.263 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.662 -6.585 10.955 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.341 -7.221 11.963 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.995 -6.014 10.701 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.875 -7.252 8.609 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.221 -6.699 8.255 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.699 -8.373 7.885 1.00 0.00 H new ATOM 283 N PRO A 19 -0.065 -10.815 9.622 1.00 0.00 N ATOM 284 CA PRO A 19 -0.004 -12.064 8.859 1.00 0.00 C ATOM 285 C PRO A 19 -1.056 -12.099 7.768 1.00 0.00 C ATOM 286 O PRO A 19 -2.072 -11.433 7.869 1.00 0.00 O ATOM 287 CB PRO A 19 -0.343 -13.130 9.908 1.00 0.00 C ATOM 288 CG PRO A 19 -1.129 -12.401 10.940 1.00 0.00 C ATOM 289 CD PRO A 19 -0.513 -11.043 11.014 1.00 0.00 C ATOM 0 HA PRO A 19 0.961 -12.200 8.370 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.920 -13.946 9.473 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.559 -13.569 10.333 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.182 -12.341 10.664 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.080 -12.909 11.903 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.231 -10.289 11.337 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.319 -11.013 11.718 1.00 0.00 H new ATOM 297 N VAL A 20 -0.802 -12.846 6.709 1.00 0.00 N ATOM 298 CA VAL A 20 -1.817 -13.049 5.679 1.00 0.00 C ATOM 299 C VAL A 20 -3.100 -13.642 6.316 1.00 0.00 C ATOM 300 O VAL A 20 -4.208 -13.452 5.819 1.00 0.00 O ATOM 301 CB VAL A 20 -1.297 -13.981 4.544 1.00 0.00 C ATOM 302 CG1 VAL A 20 -1.021 -15.387 5.062 1.00 0.00 C ATOM 303 CG2 VAL A 20 -2.276 -14.016 3.376 1.00 0.00 C ATOM 0 H VAL A 20 0.085 -13.319 6.536 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.048 -12.082 5.233 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.354 -13.569 4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.660 -16.011 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.266 -15.344 5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.940 -15.813 5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.890 -14.673 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.240 -14.389 3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.399 -13.010 2.974 1.00 0.00 H new ATOM 313 N THR A 21 -2.915 -14.339 7.439 1.00 0.00 N ATOM 314 CA THR A 21 -4.004 -14.938 8.196 1.00 0.00 C ATOM 315 C THR A 21 -4.521 -13.959 9.276 1.00 0.00 C ATOM 316 O THR A 21 -5.151 -14.369 10.256 1.00 0.00 O ATOM 317 CB THR A 21 -3.505 -16.212 8.900 1.00 0.00 C ATOM 318 OG1 THR A 21 -2.446 -16.804 8.129 1.00 0.00 O ATOM 319 CG2 THR A 21 -4.632 -17.222 9.062 1.00 0.00 C ATOM 0 H THR A 21 -1.995 -14.502 7.848 1.00 0.00 H new ATOM 0 HA THR A 21 -4.810 -15.175 7.502 1.00 0.00 H new ATOM 0 HB THR A 21 -3.139 -15.936 9.889 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.127 -17.614 8.579 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.253 -18.113 9.562 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.431 -16.783 9.659 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.020 -17.494 8.081 1.00 0.00 H new ATOM 327 N ALA A 22 -4.235 -12.677 9.099 1.00 0.00 N ATOM 328 CA ALA A 22 -4.635 -11.659 10.064 1.00 0.00 C ATOM 329 C ALA A 22 -6.137 -11.490 10.131 1.00 0.00 C ATOM 330 O ALA A 22 -6.842 -11.647 9.133 1.00 0.00 O ATOM 331 CB ALA A 22 -3.994 -10.327 9.743 1.00 0.00 C ATOM 0 H ALA A 22 -3.725 -12.315 8.293 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.289 -12.005 11.038 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.309 -9.585 10.477 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.909 -10.429 9.772 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.302 -10.005 8.748 1.00 0.00 H new ATOM 337 N THR A 23 -6.609 -11.169 11.305 1.00 0.00 N ATOM 338 CA THR A 23 -8.013 -10.901 11.523 1.00 0.00 C ATOM 339 C THR A 23 -8.204 -9.415 11.791 1.00 0.00 C ATOM 340 O THR A 23 -7.226 -8.658 11.803 1.00 0.00 O ATOM 341 CB THR A 23 -8.573 -11.722 12.706 1.00 0.00 C ATOM 342 OG1 THR A 23 -7.901 -11.360 13.919 1.00 0.00 O ATOM 343 CG2 THR A 23 -8.402 -13.212 12.453 1.00 0.00 C ATOM 0 H THR A 23 -6.033 -11.085 12.142 1.00 0.00 H new ATOM 0 HA THR A 23 -8.560 -11.195 10.627 1.00 0.00 H new ATOM 0 HB THR A 23 -9.636 -11.502 12.802 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.944 -11.550 13.832 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.803 -13.773 13.298 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.938 -13.491 11.546 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.343 -13.442 12.334 1.00 0.00 H new ATOM 351 N ASP A 24 -9.440 -9.004 12.050 1.00 0.00 N ATOM 352 CA ASP A 24 -9.771 -7.591 12.273 1.00 0.00 C ATOM 353 C ASP A 24 -8.919 -7.003 13.377 1.00 0.00 C ATOM 354 O ASP A 24 -8.481 -5.854 13.292 1.00 0.00 O ATOM 355 CB ASP A 24 -11.231 -7.442 12.696 1.00 0.00 C ATOM 356 CG ASP A 24 -12.220 -7.896 11.658 1.00 0.00 C ATOM 357 OD1 ASP A 24 -12.655 -9.074 11.728 1.00 0.00 O ATOM 358 OD2 ASP A 24 -12.610 -7.079 10.808 1.00 0.00 O ATOM 0 H ASP A 24 -10.241 -9.633 12.112 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.587 -7.068 11.335 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.393 -8.012 13.611 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.424 -6.396 12.934 1.00 0.00 H new ATOM 363 N VAL A 25 -8.672 -7.794 14.409 1.00 0.00 N ATOM 364 CA VAL A 25 -7.938 -7.323 15.564 1.00 0.00 C ATOM 365 C VAL A 25 -6.504 -6.949 15.202 1.00 0.00 C ATOM 366 O VAL A 25 -6.032 -5.875 15.567 1.00 0.00 O ATOM 367 CB VAL A 25 -7.934 -8.376 16.698 1.00 0.00 C ATOM 368 CG1 VAL A 25 -7.011 -7.959 17.837 1.00 0.00 C ATOM 369 CG2 VAL A 25 -9.345 -8.608 17.212 1.00 0.00 C ATOM 0 H VAL A 25 -8.972 -8.767 14.467 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.450 -6.429 15.920 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.554 -9.311 16.286 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.030 -8.719 18.618 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.994 -7.851 17.460 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.348 -7.008 18.249 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.324 -9.351 18.009 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.750 -7.673 17.598 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.974 -8.967 16.398 1.00 0.00 H new ATOM 379 N GLU A 26 -5.823 -7.820 14.453 1.00 0.00 N ATOM 380 CA GLU A 26 -4.438 -7.558 14.074 1.00 0.00 C ATOM 381 C GLU A 26 -4.385 -6.414 13.108 1.00 0.00 C ATOM 382 O GLU A 26 -3.523 -5.548 13.193 1.00 0.00 O ATOM 383 CB GLU A 26 -3.761 -8.789 13.445 1.00 0.00 C ATOM 384 CG GLU A 26 -3.550 -9.958 14.392 1.00 0.00 C ATOM 385 CD GLU A 26 -4.809 -10.749 14.624 1.00 0.00 C ATOM 386 OE1 GLU A 26 -5.325 -11.340 13.650 1.00 0.00 O ATOM 387 OE2 GLU A 26 -5.299 -10.774 15.763 1.00 0.00 O ATOM 0 H GLU A 26 -6.203 -8.699 14.103 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.894 -7.310 14.986 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.365 -9.127 12.603 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.794 -8.487 13.043 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.782 -10.616 13.986 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.178 -9.585 15.346 1.00 0.00 H new ATOM 394 N ILE A 27 -5.341 -6.407 12.220 1.00 0.00 N ATOM 395 CA ILE A 27 -5.438 -5.421 11.179 1.00 0.00 C ATOM 396 C ILE A 27 -5.615 -4.015 11.745 1.00 0.00 C ATOM 397 O ILE A 27 -4.919 -3.082 11.344 1.00 0.00 O ATOM 398 CB ILE A 27 -6.613 -5.779 10.243 1.00 0.00 C ATOM 399 CG1 ILE A 27 -6.263 -7.040 9.441 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.955 -4.617 9.315 1.00 0.00 C ATOM 401 CD1 ILE A 27 -7.432 -7.651 8.704 1.00 0.00 C ATOM 0 H ILE A 27 -6.089 -7.100 12.199 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.505 -5.425 10.615 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.497 -5.978 10.849 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.483 -6.794 8.721 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.847 -7.785 10.120 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.786 -4.900 8.669 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.237 -3.748 9.909 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.087 -4.372 8.703 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.098 -8.537 8.163 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.206 -7.932 9.418 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.836 -6.926 7.998 1.00 0.00 H new ATOM 413 N LYS A 28 -6.528 -3.875 12.683 1.00 0.00 N ATOM 414 CA LYS A 28 -6.820 -2.604 13.260 1.00 0.00 C ATOM 415 C LYS A 28 -5.673 -2.078 14.126 1.00 0.00 C ATOM 416 O LYS A 28 -5.335 -0.892 14.063 1.00 0.00 O ATOM 417 CB LYS A 28 -8.117 -2.687 14.034 1.00 0.00 C ATOM 418 CG LYS A 28 -8.608 -1.360 14.521 1.00 0.00 C ATOM 419 CD LYS A 28 -9.943 -1.492 15.219 1.00 0.00 C ATOM 420 CE LYS A 28 -11.029 -1.947 14.246 1.00 0.00 C ATOM 421 NZ LYS A 28 -12.357 -2.046 14.893 1.00 0.00 N ATOM 0 H LYS A 28 -7.081 -4.645 13.058 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.936 -1.881 12.453 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.881 -3.138 13.400 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.979 -3.350 14.888 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.878 -0.928 15.206 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.701 -0.673 13.680 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.860 -2.208 16.037 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.223 -0.535 15.660 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.084 -1.246 13.413 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.757 -2.917 13.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.061 -2.358 14.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.313 -2.734 15.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.631 -1.115 15.268 1.00 0.00 H new ATOM 435 N LYS A 29 -5.067 -2.950 14.924 1.00 0.00 N ATOM 436 CA LYS A 29 -3.958 -2.528 15.759 1.00 0.00 C ATOM 437 C LYS A 29 -2.744 -2.201 14.921 1.00 0.00 C ATOM 438 O LYS A 29 -1.976 -1.296 15.245 1.00 0.00 O ATOM 439 CB LYS A 29 -3.642 -3.540 16.873 1.00 0.00 C ATOM 440 CG LYS A 29 -3.270 -4.934 16.401 1.00 0.00 C ATOM 441 CD LYS A 29 -2.977 -5.844 17.594 1.00 0.00 C ATOM 442 CE LYS A 29 -2.625 -7.261 17.164 1.00 0.00 C ATOM 443 NZ LYS A 29 -2.320 -8.134 18.319 1.00 0.00 N ATOM 0 H LYS A 29 -5.321 -3.934 15.008 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.264 -1.613 16.266 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.822 -3.148 17.475 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.510 -3.616 17.528 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.083 -5.353 15.808 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.396 -4.883 15.752 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.153 -5.427 18.173 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.847 -5.871 18.250 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.455 -7.685 16.599 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.765 -7.233 16.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.086 -9.089 17.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.511 -7.745 18.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.149 -8.183 18.946 1.00 0.00 H new ATOM 457 N ALA A 30 -2.572 -2.933 13.845 1.00 0.00 N ATOM 458 CA ALA A 30 -1.535 -2.653 12.900 1.00 0.00 C ATOM 459 C ALA A 30 -1.771 -1.315 12.262 1.00 0.00 C ATOM 460 O ALA A 30 -0.840 -0.551 12.050 1.00 0.00 O ATOM 461 CB ALA A 30 -1.469 -3.723 11.852 1.00 0.00 C ATOM 0 H ALA A 30 -3.151 -3.738 13.607 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.581 -2.632 13.428 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.674 -3.490 11.144 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.264 -4.683 12.325 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.421 -3.775 11.324 1.00 0.00 H new ATOM 467 N TYR A 31 -3.029 -1.030 11.948 1.00 0.00 N ATOM 468 CA TYR A 31 -3.386 0.241 11.378 1.00 0.00 C ATOM 469 C TYR A 31 -3.070 1.361 12.332 1.00 0.00 C ATOM 470 O TYR A 31 -2.427 2.338 11.952 1.00 0.00 O ATOM 471 CB TYR A 31 -4.862 0.290 10.983 1.00 0.00 C ATOM 472 CG TYR A 31 -5.329 1.681 10.593 1.00 0.00 C ATOM 473 CD1 TYR A 31 -4.922 2.266 9.400 1.00 0.00 C ATOM 474 CD2 TYR A 31 -6.170 2.411 11.426 1.00 0.00 C ATOM 475 CE1 TYR A 31 -5.339 3.536 9.052 1.00 0.00 C ATOM 476 CE2 TYR A 31 -6.591 3.680 11.082 1.00 0.00 C ATOM 477 CZ TYR A 31 -6.173 4.238 9.895 1.00 0.00 C ATOM 478 OH TYR A 31 -6.587 5.504 9.551 1.00 0.00 O ATOM 0 H TYR A 31 -3.812 -1.670 12.083 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.791 0.367 10.473 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -5.031 -0.391 10.149 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -5.467 -0.070 11.816 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.270 1.719 8.735 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.500 1.977 12.359 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.012 3.977 8.122 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.245 4.232 11.741 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.171 5.859 10.253 1.00 0.00 H new ATOM 488 N ARG A 32 -3.511 1.225 13.589 1.00 0.00 N ATOM 489 CA ARG A 32 -3.245 2.278 14.542 1.00 0.00 C ATOM 490 C ARG A 32 -1.759 2.433 14.803 1.00 0.00 C ATOM 491 O ARG A 32 -1.286 3.540 14.965 1.00 0.00 O ATOM 492 CB ARG A 32 -4.010 2.126 15.856 1.00 0.00 C ATOM 493 CG ARG A 32 -3.591 0.951 16.686 1.00 0.00 C ATOM 494 CD ARG A 32 -4.189 1.016 18.074 1.00 0.00 C ATOM 495 NE ARG A 32 -5.648 0.997 18.058 1.00 0.00 N ATOM 496 CZ ARG A 32 -6.408 1.246 19.124 1.00 0.00 C ATOM 497 NH1 ARG A 32 -5.842 1.561 20.290 1.00 0.00 N ATOM 498 NH2 ARG A 32 -7.727 1.191 19.023 1.00 0.00 N ATOM 0 H ARG A 32 -4.032 0.425 13.948 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.616 3.190 14.074 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.881 3.035 16.444 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.074 2.038 15.635 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.902 0.028 16.197 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.504 0.923 16.757 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.825 0.174 18.662 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.847 1.924 18.571 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.115 0.780 17.177 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.826 1.612 20.367 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.425 1.751 21.105 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.161 0.958 18.130 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.309 1.381 19.839 1.00 0.00 H new ATOM 512 N LYS A 33 -1.003 1.326 14.825 1.00 0.00 N ATOM 513 CA LYS A 33 0.439 1.459 15.041 1.00 0.00 C ATOM 514 C LYS A 33 1.082 2.092 13.834 1.00 0.00 C ATOM 515 O LYS A 33 1.860 2.998 13.976 1.00 0.00 O ATOM 516 CB LYS A 33 1.127 0.123 15.404 1.00 0.00 C ATOM 517 CG LYS A 33 1.301 -0.848 14.258 1.00 0.00 C ATOM 518 CD LYS A 33 1.967 -2.133 14.722 1.00 0.00 C ATOM 519 CE LYS A 33 2.173 -3.110 13.576 1.00 0.00 C ATOM 520 NZ LYS A 33 2.841 -4.356 14.027 1.00 0.00 N ATOM 0 H LYS A 33 -1.347 0.373 14.702 1.00 0.00 H new ATOM 0 HA LYS A 33 0.576 2.108 15.906 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.108 0.342 15.825 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.546 -0.365 16.187 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.329 -1.077 13.821 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.902 -0.386 13.475 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.929 -1.899 15.177 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.355 -2.601 15.493 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.209 -3.355 13.130 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.773 -2.637 12.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.964 -4.997 13.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.772 -4.125 14.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.256 -4.821 14.751 1.00 0.00 H new ATOM 534 N CYS A 34 0.699 1.661 12.642 1.00 0.00 N ATOM 535 CA CYS A 34 1.280 2.235 11.433 1.00 0.00 C ATOM 536 C CYS A 34 0.967 3.728 11.344 1.00 0.00 C ATOM 537 O CYS A 34 1.849 4.545 11.049 1.00 0.00 O ATOM 538 CB CYS A 34 0.762 1.511 10.190 1.00 0.00 C ATOM 539 SG CYS A 34 1.356 -0.188 10.024 1.00 0.00 S ATOM 0 H CYS A 34 0.004 0.932 12.484 1.00 0.00 H new ATOM 0 HA CYS A 34 2.362 2.109 11.482 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.328 1.503 10.215 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.056 2.075 9.305 1.00 0.00 H new ATOM 0 HG CYS A 34 0.681 -0.963 10.820 1.00 0.00 H new ATOM 545 N ALA A 35 -0.285 4.081 11.622 1.00 0.00 N ATOM 546 CA ALA A 35 -0.706 5.466 11.603 1.00 0.00 C ATOM 547 C ALA A 35 -0.014 6.276 12.699 1.00 0.00 C ATOM 548 O ALA A 35 0.533 7.315 12.438 1.00 0.00 O ATOM 549 CB ALA A 35 -2.216 5.556 11.758 1.00 0.00 C ATOM 0 H ALA A 35 -1.023 3.419 11.863 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.418 5.891 10.641 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.522 6.602 11.742 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.698 5.025 10.937 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.512 5.106 12.705 1.00 0.00 H new ATOM 555 N LEU A 36 -0.018 5.764 13.920 1.00 0.00 N ATOM 556 CA LEU A 36 0.594 6.472 15.038 1.00 0.00 C ATOM 557 C LEU A 36 2.095 6.620 14.854 1.00 0.00 C ATOM 558 O LEU A 36 2.667 7.656 15.170 1.00 0.00 O ATOM 559 CB LEU A 36 0.283 5.785 16.369 1.00 0.00 C ATOM 560 CG LEU A 36 -1.175 5.865 16.837 1.00 0.00 C ATOM 561 CD1 LEU A 36 -1.386 5.018 18.081 1.00 0.00 C ATOM 562 CD2 LEU A 36 -1.577 7.310 17.100 1.00 0.00 C ATOM 0 H LEU A 36 -0.435 4.866 14.163 1.00 0.00 H new ATOM 0 HA LEU A 36 0.159 7.471 15.059 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.561 4.734 16.288 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.917 6.224 17.140 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.810 5.472 16.043 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.427 5.088 18.397 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.144 3.979 17.859 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.739 5.379 18.881 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.615 7.344 17.431 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.935 7.731 17.874 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.469 7.890 16.184 1.00 0.00 H new ATOM 574 N LYS A 37 2.722 5.590 14.350 1.00 0.00 N ATOM 575 CA LYS A 37 4.155 5.596 14.132 1.00 0.00 C ATOM 576 C LYS A 37 4.593 6.613 13.055 1.00 0.00 C ATOM 577 O LYS A 37 5.614 7.278 13.217 1.00 0.00 O ATOM 578 CB LYS A 37 4.621 4.185 13.772 1.00 0.00 C ATOM 579 CG LYS A 37 4.549 3.205 14.939 1.00 0.00 C ATOM 580 CD LYS A 37 4.748 1.773 14.485 1.00 0.00 C ATOM 581 CE LYS A 37 6.148 1.549 13.931 1.00 0.00 C ATOM 582 NZ LYS A 37 6.363 0.146 13.512 1.00 0.00 N ATOM 0 H LYS A 37 2.260 4.722 14.078 1.00 0.00 H new ATOM 0 HA LYS A 37 4.630 5.915 15.060 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.010 3.807 12.952 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.648 4.231 13.409 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.310 3.461 15.676 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.582 3.299 15.433 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.576 1.098 15.323 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.010 1.527 13.721 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.311 2.210 13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.884 1.818 14.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.329 0.039 13.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.234 -0.484 14.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.678 -0.104 12.771 1.00 0.00 H new ATOM 596 N TYR A 38 3.830 6.720 11.955 1.00 0.00 N ATOM 597 CA TYR A 38 4.220 7.613 10.846 1.00 0.00 C ATOM 598 C TYR A 38 3.175 8.672 10.450 1.00 0.00 C ATOM 599 O TYR A 38 3.230 9.208 9.352 1.00 0.00 O ATOM 600 CB TYR A 38 4.636 6.772 9.642 1.00 0.00 C ATOM 601 CG TYR A 38 5.967 6.084 9.853 1.00 0.00 C ATOM 602 CD1 TYR A 38 6.048 4.842 10.473 1.00 0.00 C ATOM 603 CD2 TYR A 38 7.147 6.693 9.455 1.00 0.00 C ATOM 604 CE1 TYR A 38 7.269 4.230 10.685 1.00 0.00 C ATOM 605 CE2 TYR A 38 8.368 6.087 9.659 1.00 0.00 C ATOM 606 CZ TYR A 38 8.427 4.861 10.273 1.00 0.00 C ATOM 607 OH TYR A 38 9.651 4.266 10.486 1.00 0.00 O ATOM 0 H TYR A 38 2.958 6.212 11.808 1.00 0.00 H new ATOM 0 HA TYR A 38 5.061 8.200 11.216 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.870 6.023 9.443 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.695 7.409 8.760 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.143 4.348 10.794 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.109 7.660 8.976 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.318 3.266 11.169 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.276 6.575 9.337 1.00 0.00 H new ATOM 0 HH TYR A 38 10.361 4.843 10.134 1.00 0.00 H new ATOM 617 N HIS A 39 2.260 8.998 11.337 1.00 0.00 N ATOM 618 CA HIS A 39 1.252 10.036 11.037 1.00 0.00 C ATOM 619 C HIS A 39 1.906 11.410 10.878 1.00 0.00 C ATOM 620 O HIS A 39 2.857 11.730 11.584 1.00 0.00 O ATOM 621 CB HIS A 39 0.174 10.103 12.138 1.00 0.00 C ATOM 622 CG HIS A 39 0.699 10.447 13.508 1.00 0.00 C ATOM 623 ND1 HIS A 39 -0.073 11.020 14.486 1.00 0.00 N ATOM 624 CD2 HIS A 39 1.919 10.259 14.065 1.00 0.00 C ATOM 625 CE1 HIS A 39 0.647 11.167 15.582 1.00 0.00 C ATOM 626 NE2 HIS A 39 1.859 10.707 15.353 1.00 0.00 N ATOM 0 H HIS A 39 2.179 8.577 12.262 1.00 0.00 H new ATOM 0 HA HIS A 39 0.777 9.759 10.096 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.573 10.844 11.853 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.335 9.141 12.189 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -1.051 11.290 14.382 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.783 9.832 13.578 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.300 11.593 16.512 1.00 0.00 H new ATOM 634 N PRO A 40 1.361 12.254 9.985 1.00 0.00 N ATOM 635 CA PRO A 40 1.900 13.604 9.716 1.00 0.00 C ATOM 636 C PRO A 40 1.814 14.528 10.933 1.00 0.00 C ATOM 637 O PRO A 40 2.542 15.513 11.031 1.00 0.00 O ATOM 638 CB PRO A 40 1.007 14.124 8.584 1.00 0.00 C ATOM 639 CG PRO A 40 -0.242 13.319 8.686 1.00 0.00 C ATOM 640 CD PRO A 40 0.187 11.960 9.143 1.00 0.00 C ATOM 0 HA PRO A 40 2.960 13.573 9.464 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.802 15.188 8.699 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.484 13.994 7.612 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.940 13.767 9.393 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.753 13.265 7.725 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.599 11.456 9.706 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.443 11.313 8.304 1.00 0.00 H new ATOM 648 N ASP A 41 0.936 14.179 11.862 1.00 0.00 N ATOM 649 CA ASP A 41 0.723 14.959 13.088 1.00 0.00 C ATOM 650 C ASP A 41 2.000 15.072 13.923 1.00 0.00 C ATOM 651 O ASP A 41 2.195 16.048 14.641 1.00 0.00 O ATOM 652 CB ASP A 41 -0.398 14.344 13.923 1.00 0.00 C ATOM 653 CG ASP A 41 -0.661 15.118 15.198 1.00 0.00 C ATOM 654 OD1 ASP A 41 -1.175 16.254 15.118 1.00 0.00 O ATOM 655 OD2 ASP A 41 -0.364 14.591 16.288 1.00 0.00 O ATOM 0 H ASP A 41 0.348 13.348 11.794 1.00 0.00 H new ATOM 0 HA ASP A 41 0.435 15.966 12.786 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.311 14.307 13.329 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.138 13.315 14.173 1.00 0.00 H new ATOM 660 N LYS A 42 2.867 14.075 13.819 1.00 0.00 N ATOM 661 CA LYS A 42 4.106 14.059 14.592 1.00 0.00 C ATOM 662 C LYS A 42 5.298 13.712 13.704 1.00 0.00 C ATOM 663 O LYS A 42 6.448 13.960 14.057 1.00 0.00 O ATOM 664 CB LYS A 42 4.010 13.096 15.780 1.00 0.00 C ATOM 665 CG LYS A 42 2.998 13.524 16.829 1.00 0.00 C ATOM 666 CD LYS A 42 2.980 12.575 18.016 1.00 0.00 C ATOM 667 CE LYS A 42 1.933 12.987 19.042 1.00 0.00 C ATOM 668 NZ LYS A 42 2.200 14.336 19.607 1.00 0.00 N ATOM 0 H LYS A 42 2.738 13.267 13.209 1.00 0.00 H new ATOM 0 HA LYS A 42 4.260 15.062 14.990 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.743 12.105 15.413 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.991 13.010 16.247 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.234 14.531 17.172 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.005 13.565 16.381 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.774 11.562 17.671 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.964 12.558 18.485 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.948 12.979 18.576 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.910 12.255 19.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.580 14.498 20.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.194 14.396 19.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.013 15.059 18.883 1.00 0.00 H new ATOM 682 N ASN A 43 5.006 13.136 12.548 1.00 0.00 N ATOM 683 CA ASN A 43 6.023 12.759 11.584 1.00 0.00 C ATOM 684 C ASN A 43 5.902 13.644 10.351 1.00 0.00 C ATOM 685 O ASN A 43 4.975 13.489 9.557 1.00 0.00 O ATOM 686 CB ASN A 43 5.859 11.286 11.198 1.00 0.00 C ATOM 687 CG ASN A 43 6.015 10.358 12.377 1.00 0.00 C ATOM 688 OD1 ASN A 43 4.915 10.030 13.006 1.00 0.00 O flip ATOM 689 ND2 ASN A 43 7.120 9.943 12.718 1.00 0.00 N flip ATOM 0 H ASN A 43 4.054 12.917 12.253 1.00 0.00 H new ATOM 0 HA ASN A 43 7.010 12.893 12.026 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.876 11.138 10.751 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.596 11.029 10.438 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.952 10.224 12.200 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.205 9.318 13.519 1.00 0.00 H new ATOM 696 N PRO A 44 6.824 14.596 10.189 1.00 0.00 N ATOM 697 CA PRO A 44 6.789 15.564 9.086 1.00 0.00 C ATOM 698 C PRO A 44 7.156 14.971 7.723 1.00 0.00 C ATOM 699 O PRO A 44 6.843 15.560 6.686 1.00 0.00 O ATOM 700 CB PRO A 44 7.822 16.607 9.507 1.00 0.00 C ATOM 701 CG PRO A 44 8.791 15.850 10.342 1.00 0.00 C ATOM 702 CD PRO A 44 7.985 14.818 11.078 1.00 0.00 C ATOM 0 HA PRO A 44 5.782 15.954 8.939 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.309 17.056 8.641 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.361 17.418 10.070 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.555 15.380 9.723 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.307 16.512 11.038 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.553 13.901 11.235 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.677 15.174 12.061 1.00 0.00 H new ATOM 710 N SER A 45 7.801 13.813 7.725 1.00 0.00 N ATOM 711 CA SER A 45 8.284 13.209 6.494 1.00 0.00 C ATOM 712 C SER A 45 7.150 12.875 5.548 1.00 0.00 C ATOM 713 O SER A 45 6.092 12.382 5.955 1.00 0.00 O ATOM 714 CB SER A 45 9.054 11.951 6.794 1.00 0.00 C ATOM 715 OG SER A 45 9.824 12.094 7.981 1.00 0.00 O ATOM 0 H SER A 45 8.002 13.273 8.567 1.00 0.00 H new ATOM 0 HA SER A 45 8.934 13.940 6.013 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.363 11.115 6.903 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.711 11.714 5.957 1.00 0.00 H new ATOM 0 HG SER A 45 10.314 11.263 8.155 1.00 0.00 H new ATOM 721 N GLU A 46 7.383 13.155 4.297 1.00 0.00 N ATOM 722 CA GLU A 46 6.437 12.873 3.240 1.00 0.00 C ATOM 723 C GLU A 46 6.201 11.373 3.129 1.00 0.00 C ATOM 724 O GLU A 46 5.077 10.929 2.975 1.00 0.00 O ATOM 725 CB GLU A 46 6.931 13.429 1.894 1.00 0.00 C ATOM 726 CG GLU A 46 6.928 14.956 1.780 1.00 0.00 C ATOM 727 CD GLU A 46 8.186 15.618 2.324 1.00 0.00 C ATOM 728 OE1 GLU A 46 8.923 16.246 1.531 1.00 0.00 O ATOM 729 OE2 GLU A 46 8.435 15.539 3.542 1.00 0.00 O ATOM 0 H GLU A 46 8.246 13.592 3.972 1.00 0.00 H new ATOM 0 HA GLU A 46 5.497 13.364 3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.945 13.069 1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.308 13.020 1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.808 15.232 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.063 15.349 2.314 1.00 0.00 H new ATOM 736 N GLU A 47 7.280 10.611 3.257 1.00 0.00 N ATOM 737 CA GLU A 47 7.233 9.149 3.197 1.00 0.00 C ATOM 738 C GLU A 47 6.356 8.616 4.302 1.00 0.00 C ATOM 739 O GLU A 47 5.591 7.680 4.110 1.00 0.00 O ATOM 740 CB GLU A 47 8.628 8.592 3.404 1.00 0.00 C ATOM 741 CG GLU A 47 9.605 8.837 2.269 1.00 0.00 C ATOM 742 CD GLU A 47 9.189 8.177 0.976 1.00 0.00 C ATOM 743 OE1 GLU A 47 8.809 6.988 1.001 1.00 0.00 O ATOM 744 OE2 GLU A 47 9.285 8.826 -0.081 1.00 0.00 O ATOM 0 H GLU A 47 8.216 10.987 3.406 1.00 0.00 H new ATOM 0 HA GLU A 47 6.837 8.852 2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.041 9.024 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.550 7.517 3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.703 9.910 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.589 8.468 2.558 1.00 0.00 H new ATOM 751 N ALA A 48 6.481 9.229 5.459 1.00 0.00 N ATOM 752 CA ALA A 48 5.717 8.835 6.628 1.00 0.00 C ATOM 753 C ALA A 48 4.254 9.013 6.360 1.00 0.00 C ATOM 754 O ALA A 48 3.428 8.154 6.672 1.00 0.00 O ATOM 755 CB ALA A 48 6.146 9.654 7.837 1.00 0.00 C ATOM 0 H ALA A 48 7.113 10.013 5.618 1.00 0.00 H new ATOM 0 HA ALA A 48 5.908 7.784 6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.565 9.349 8.708 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.206 9.488 8.031 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.975 10.712 7.639 1.00 0.00 H new ATOM 761 N ALA A 49 3.958 10.116 5.750 1.00 0.00 N ATOM 762 CA ALA A 49 2.605 10.446 5.359 1.00 0.00 C ATOM 763 C ALA A 49 2.101 9.452 4.322 1.00 0.00 C ATOM 764 O ALA A 49 0.936 9.051 4.336 1.00 0.00 O ATOM 765 CB ALA A 49 2.535 11.868 4.829 1.00 0.00 C ATOM 0 H ALA A 49 4.647 10.826 5.502 1.00 0.00 H new ATOM 0 HA ALA A 49 1.961 10.383 6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.510 12.098 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.858 12.562 5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.187 11.965 3.961 1.00 0.00 H new ATOM 771 N GLU A 50 2.990 9.069 3.411 1.00 0.00 N ATOM 772 CA GLU A 50 2.657 8.111 2.370 1.00 0.00 C ATOM 773 C GLU A 50 2.350 6.755 2.987 1.00 0.00 C ATOM 774 O GLU A 50 1.428 6.057 2.561 1.00 0.00 O ATOM 775 CB GLU A 50 3.809 7.970 1.382 1.00 0.00 C ATOM 776 CG GLU A 50 4.206 9.274 0.733 1.00 0.00 C ATOM 777 CD GLU A 50 4.873 9.080 -0.606 1.00 0.00 C ATOM 778 OE1 GLU A 50 4.153 9.019 -1.625 1.00 0.00 O ATOM 779 OE2 GLU A 50 6.107 8.987 -0.657 1.00 0.00 O ATOM 0 H GLU A 50 3.950 9.411 3.375 1.00 0.00 H new ATOM 0 HA GLU A 50 1.778 8.476 1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.673 7.553 1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.527 7.258 0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.320 9.896 0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.882 9.814 1.396 1.00 0.00 H new ATOM 786 N LYS A 51 3.127 6.399 3.997 1.00 0.00 N ATOM 787 CA LYS A 51 2.938 5.148 4.727 1.00 0.00 C ATOM 788 C LYS A 51 1.575 5.123 5.382 1.00 0.00 C ATOM 789 O LYS A 51 0.894 4.096 5.396 1.00 0.00 O ATOM 790 CB LYS A 51 4.004 5.011 5.794 1.00 0.00 C ATOM 791 CG LYS A 51 5.392 4.777 5.247 1.00 0.00 C ATOM 792 CD LYS A 51 6.412 4.750 6.360 1.00 0.00 C ATOM 793 CE LYS A 51 6.130 3.620 7.340 1.00 0.00 C ATOM 794 NZ LYS A 51 6.154 2.290 6.677 1.00 0.00 N ATOM 0 H LYS A 51 3.905 6.964 4.336 1.00 0.00 H new ATOM 0 HA LYS A 51 3.013 4.320 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.012 5.915 6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.740 4.184 6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.418 3.834 4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.644 5.564 4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.410 4.629 5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.403 5.703 6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.871 3.640 8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.156 3.777 7.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.195 1.543 7.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.293 2.172 6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.990 2.224 6.062 1.00 0.00 H new ATOM 808 N PHE A 52 1.186 6.266 5.918 1.00 0.00 N ATOM 809 CA PHE A 52 -0.120 6.427 6.515 1.00 0.00 C ATOM 810 C PHE A 52 -1.202 6.103 5.485 1.00 0.00 C ATOM 811 O PHE A 52 -2.148 5.373 5.774 1.00 0.00 O ATOM 812 CB PHE A 52 -0.305 7.859 7.036 1.00 0.00 C ATOM 813 CG PHE A 52 -1.675 8.107 7.626 1.00 0.00 C ATOM 814 CD1 PHE A 52 -1.904 7.971 8.983 1.00 0.00 C ATOM 815 CD2 PHE A 52 -2.743 8.446 6.802 1.00 0.00 C ATOM 816 CE1 PHE A 52 -3.170 8.172 9.508 1.00 0.00 C ATOM 817 CE2 PHE A 52 -4.001 8.646 7.317 1.00 0.00 C ATOM 818 CZ PHE A 52 -4.218 8.509 8.673 1.00 0.00 C ATOM 0 H PHE A 52 1.767 7.104 5.950 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.205 5.740 7.357 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.452 8.064 7.793 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.136 8.560 6.219 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.088 7.706 9.639 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.581 8.554 5.740 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.338 8.065 10.570 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.818 8.910 6.662 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.206 8.665 9.081 1.00 0.00 H new ATOM 828 N LYS A 53 -1.045 6.646 4.282 1.00 0.00 N ATOM 829 CA LYS A 53 -2.011 6.430 3.211 1.00 0.00 C ATOM 830 C LYS A 53 -2.113 4.950 2.847 1.00 0.00 C ATOM 831 O LYS A 53 -3.211 4.431 2.635 1.00 0.00 O ATOM 832 CB LYS A 53 -1.632 7.252 1.974 1.00 0.00 C ATOM 833 CG LYS A 53 -1.785 8.754 2.159 1.00 0.00 C ATOM 834 CD LYS A 53 -3.246 9.133 2.327 1.00 0.00 C ATOM 835 CE LYS A 53 -3.431 10.633 2.467 1.00 0.00 C ATOM 836 NZ LYS A 53 -4.863 10.996 2.613 1.00 0.00 N ATOM 0 H LYS A 53 -0.257 7.240 4.024 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.986 6.759 3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.598 7.033 1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.252 6.934 1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.219 9.076 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.367 9.275 1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.814 8.776 1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.651 8.634 3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.875 10.989 3.334 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.015 11.135 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.952 12.028 2.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.389 10.678 1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.253 10.537 3.461 1.00 0.00 H new ATOM 850 N GLU A 54 -0.974 4.271 2.796 1.00 0.00 N ATOM 851 CA GLU A 54 -0.948 2.847 2.488 1.00 0.00 C ATOM 852 C GLU A 54 -1.622 2.056 3.590 1.00 0.00 C ATOM 853 O GLU A 54 -2.379 1.119 3.327 1.00 0.00 O ATOM 854 CB GLU A 54 0.482 2.372 2.325 1.00 0.00 C ATOM 855 CG GLU A 54 1.179 2.952 1.121 1.00 0.00 C ATOM 856 CD GLU A 54 2.615 2.499 1.018 1.00 0.00 C ATOM 857 OE1 GLU A 54 3.418 2.839 1.914 1.00 0.00 O ATOM 858 OE2 GLU A 54 2.953 1.795 0.044 1.00 0.00 O ATOM 0 H GLU A 54 -0.056 4.683 2.964 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.488 2.688 1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.046 2.632 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.488 1.285 2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.643 2.661 0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.146 4.040 1.174 1.00 0.00 H new ATOM 865 N ALA A 55 -1.358 2.455 4.827 1.00 0.00 N ATOM 866 CA ALA A 55 -1.940 1.807 5.982 1.00 0.00 C ATOM 867 C ALA A 55 -3.441 1.984 5.964 1.00 0.00 C ATOM 868 O ALA A 55 -4.193 1.063 6.275 1.00 0.00 O ATOM 869 CB ALA A 55 -1.350 2.370 7.266 1.00 0.00 C ATOM 0 H ALA A 55 -0.737 3.233 5.052 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.709 0.742 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.800 1.870 8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.273 2.205 7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.554 3.439 7.322 1.00 0.00 H new ATOM 875 N SER A 56 -3.870 3.181 5.586 1.00 0.00 N ATOM 876 CA SER A 56 -5.271 3.491 5.506 1.00 0.00 C ATOM 877 C SER A 56 -5.956 2.647 4.436 1.00 0.00 C ATOM 878 O SER A 56 -7.005 2.089 4.688 1.00 0.00 O ATOM 879 CB SER A 56 -5.505 5.001 5.283 1.00 0.00 C ATOM 880 OG SER A 56 -6.896 5.302 5.194 1.00 0.00 O ATOM 0 H SER A 56 -3.253 3.952 5.330 1.00 0.00 H new ATOM 0 HA SER A 56 -5.725 3.238 6.464 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.060 5.565 6.103 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.003 5.318 4.369 1.00 0.00 H new ATOM 0 HG SER A 56 -7.014 6.265 5.054 1.00 0.00 H new ATOM 886 N ALA A 57 -5.339 2.530 3.251 1.00 0.00 N ATOM 887 CA ALA A 57 -5.928 1.732 2.162 1.00 0.00 C ATOM 888 C ALA A 57 -6.007 0.257 2.554 1.00 0.00 C ATOM 889 O ALA A 57 -7.008 -0.430 2.283 1.00 0.00 O ATOM 890 CB ALA A 57 -5.128 1.906 0.879 1.00 0.00 C ATOM 0 H ALA A 57 -4.447 2.969 3.023 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.942 2.091 1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.578 1.309 0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.130 2.957 0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.102 1.577 1.043 1.00 0.00 H new ATOM 896 N ALA A 58 -4.953 -0.215 3.203 1.00 0.00 N ATOM 897 CA ALA A 58 -4.901 -1.571 3.693 1.00 0.00 C ATOM 898 C ALA A 58 -6.023 -1.785 4.673 1.00 0.00 C ATOM 899 O ALA A 58 -6.731 -2.761 4.605 1.00 0.00 O ATOM 900 CB ALA A 58 -3.566 -1.833 4.372 1.00 0.00 C ATOM 0 H ALA A 58 -4.116 0.334 3.401 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.007 -2.261 2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.539 -2.860 4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.758 -1.681 3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.443 -1.146 5.209 1.00 0.00 H new ATOM 906 N TYR A 59 -6.200 -0.821 5.547 1.00 0.00 N ATOM 907 CA TYR A 59 -7.264 -0.838 6.529 1.00 0.00 C ATOM 908 C TYR A 59 -8.626 -0.835 5.847 1.00 0.00 C ATOM 909 O TYR A 59 -9.536 -1.511 6.277 1.00 0.00 O ATOM 910 CB TYR A 59 -7.128 0.366 7.454 1.00 0.00 C ATOM 911 CG TYR A 59 -8.144 0.440 8.571 1.00 0.00 C ATOM 912 CD1 TYR A 59 -8.008 -0.341 9.710 1.00 0.00 C ATOM 913 CD2 TYR A 59 -9.221 1.311 8.499 1.00 0.00 C ATOM 914 CE1 TYR A 59 -8.917 -0.256 10.745 1.00 0.00 C ATOM 915 CE2 TYR A 59 -10.137 1.398 9.528 1.00 0.00 C ATOM 916 CZ TYR A 59 -9.979 0.614 10.648 1.00 0.00 C ATOM 917 OH TYR A 59 -10.884 0.704 11.679 1.00 0.00 O ATOM 0 H TYR A 59 -5.605 0.006 5.598 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.184 -1.751 7.119 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.130 0.356 7.893 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.204 1.274 6.855 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.177 -1.027 9.788 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.345 1.931 7.624 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.796 -0.869 11.626 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.973 2.078 9.455 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.572 1.364 11.454 1.00 0.00 H new ATOM 927 N GLU A 60 -8.741 -0.085 4.773 1.00 0.00 N ATOM 928 CA GLU A 60 -10.007 0.058 4.077 1.00 0.00 C ATOM 929 C GLU A 60 -10.526 -1.301 3.610 1.00 0.00 C ATOM 930 O GLU A 60 -11.719 -1.570 3.685 1.00 0.00 O ATOM 931 CB GLU A 60 -9.863 0.977 2.859 1.00 0.00 C ATOM 932 CG GLU A 60 -9.491 2.416 3.187 1.00 0.00 C ATOM 933 CD GLU A 60 -10.412 3.067 4.192 1.00 0.00 C ATOM 934 OE1 GLU A 60 -11.644 2.980 4.029 1.00 0.00 O ATOM 935 OE2 GLU A 60 -9.907 3.694 5.141 1.00 0.00 O ATOM 0 H GLU A 60 -7.970 0.439 4.359 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.715 0.497 4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.104 0.562 2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.803 0.976 2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.472 2.440 3.573 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.498 3.002 2.268 1.00 0.00 H new ATOM 942 N ILE A 61 -9.635 -2.149 3.122 1.00 0.00 N ATOM 943 CA ILE A 61 -10.048 -3.469 2.670 1.00 0.00 C ATOM 944 C ILE A 61 -9.933 -4.505 3.774 1.00 0.00 C ATOM 945 O ILE A 61 -10.862 -5.250 4.038 1.00 0.00 O ATOM 946 CB ILE A 61 -9.267 -3.923 1.410 1.00 0.00 C ATOM 947 CG1 ILE A 61 -7.751 -3.821 1.631 1.00 0.00 C ATOM 948 CG2 ILE A 61 -9.694 -3.108 0.197 1.00 0.00 C ATOM 949 CD1 ILE A 61 -6.927 -4.374 0.490 1.00 0.00 C ATOM 0 H ILE A 61 -8.638 -1.953 3.029 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.100 -3.386 2.396 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.505 -4.970 1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.486 -2.775 1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.490 -4.353 2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.136 -3.439 -0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -10.761 -3.248 0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.491 -2.052 0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.867 -4.266 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.162 -5.429 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.157 -3.826 -0.424 1.00 0.00 H new ATOM 961 N LEU A 62 -8.803 -4.525 4.419 1.00 0.00 N ATOM 962 CA LEU A 62 -8.511 -5.498 5.451 1.00 0.00 C ATOM 963 C LEU A 62 -9.437 -5.386 6.679 1.00 0.00 C ATOM 964 O LEU A 62 -9.847 -6.400 7.229 1.00 0.00 O ATOM 965 CB LEU A 62 -7.051 -5.378 5.843 1.00 0.00 C ATOM 966 CG LEU A 62 -6.048 -5.701 4.725 1.00 0.00 C ATOM 967 CD1 LEU A 62 -4.623 -5.544 5.211 1.00 0.00 C ATOM 968 CD2 LEU A 62 -6.273 -7.094 4.164 1.00 0.00 C ATOM 0 H LEU A 62 -8.046 -3.863 4.248 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.704 -6.489 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.867 -4.362 6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.861 -6.044 6.684 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.214 -4.986 3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.934 -5.779 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.461 -4.517 5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.446 -6.223 6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.547 -7.290 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.153 -7.830 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.281 -7.163 3.755 1.00 0.00 H new ATOM 980 N SER A 63 -9.772 -4.163 7.094 1.00 0.00 N ATOM 981 CA SER A 63 -10.658 -3.956 8.258 1.00 0.00 C ATOM 982 C SER A 63 -12.078 -4.463 7.974 1.00 0.00 C ATOM 983 O SER A 63 -12.921 -4.513 8.867 1.00 0.00 O ATOM 984 CB SER A 63 -10.692 -2.478 8.659 1.00 0.00 C ATOM 985 OG SER A 63 -11.411 -2.276 9.869 1.00 0.00 O ATOM 0 H SER A 63 -9.450 -3.303 6.651 1.00 0.00 H new ATOM 0 HA SER A 63 -10.252 -4.533 9.089 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.673 -2.109 8.776 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.152 -1.895 7.861 1.00 0.00 H new ATOM 0 HG SER A 63 -11.048 -1.496 10.339 1.00 0.00 H new ATOM 991 N ASP A 64 -12.338 -4.813 6.729 1.00 0.00 N ATOM 992 CA ASP A 64 -13.620 -5.361 6.350 1.00 0.00 C ATOM 993 C ASP A 64 -13.420 -6.789 5.919 1.00 0.00 C ATOM 994 O ASP A 64 -12.867 -7.039 4.878 1.00 0.00 O ATOM 995 CB ASP A 64 -14.303 -4.549 5.238 1.00 0.00 C ATOM 996 CG ASP A 64 -14.736 -3.167 5.679 1.00 0.00 C ATOM 997 OD1 ASP A 64 -15.490 -3.059 6.671 1.00 0.00 O ATOM 998 OD2 ASP A 64 -14.356 -2.176 5.018 1.00 0.00 O ATOM 0 H ASP A 64 -11.672 -4.726 5.961 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.285 -5.313 7.213 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.619 -4.455 4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.175 -5.098 4.881 1.00 0.00 H new ATOM 1003 N PRO A 65 -13.879 -7.738 6.724 1.00 0.00 N ATOM 1004 CA PRO A 65 -13.678 -9.182 6.489 1.00 0.00 C ATOM 1005 C PRO A 65 -14.078 -9.622 5.086 1.00 0.00 C ATOM 1006 O PRO A 65 -13.433 -10.480 4.489 1.00 0.00 O ATOM 1007 CB PRO A 65 -14.594 -9.819 7.521 1.00 0.00 C ATOM 1008 CG PRO A 65 -14.636 -8.827 8.621 1.00 0.00 C ATOM 1009 CD PRO A 65 -14.625 -7.487 7.957 1.00 0.00 C ATOM 0 HA PRO A 65 -12.629 -9.465 6.575 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -15.587 -10.005 7.113 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.205 -10.778 7.863 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.531 -8.955 9.230 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.779 -8.942 9.285 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.634 -7.129 7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.139 -6.733 8.577 1.00 0.00 H new ATOM 1017 N GLU A 66 -15.119 -9.015 4.553 1.00 0.00 N ATOM 1018 CA GLU A 66 -15.572 -9.376 3.227 1.00 0.00 C ATOM 1019 C GLU A 66 -14.606 -8.865 2.196 1.00 0.00 C ATOM 1020 O GLU A 66 -14.277 -9.552 1.246 1.00 0.00 O ATOM 1021 CB GLU A 66 -16.992 -8.907 2.948 1.00 0.00 C ATOM 1022 CG GLU A 66 -18.029 -9.681 3.733 1.00 0.00 C ATOM 1023 CD GLU A 66 -17.956 -11.169 3.449 1.00 0.00 C ATOM 1024 OE1 GLU A 66 -18.102 -11.570 2.276 1.00 0.00 O ATOM 1025 OE2 GLU A 66 -17.731 -11.948 4.398 1.00 0.00 O ATOM 0 H GLU A 66 -15.660 -8.281 5.010 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.599 -10.464 3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.075 -7.848 3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.200 -9.007 1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.882 -9.507 4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -19.024 -9.312 3.484 1.00 0.00 H new ATOM 1032 N LYS A 67 -14.103 -7.672 2.434 1.00 0.00 N ATOM 1033 CA LYS A 67 -13.174 -7.030 1.555 1.00 0.00 C ATOM 1034 C LYS A 67 -11.850 -7.730 1.647 1.00 0.00 C ATOM 1035 O LYS A 67 -11.116 -7.840 0.682 1.00 0.00 O ATOM 1036 CB LYS A 67 -13.030 -5.580 1.969 1.00 0.00 C ATOM 1037 CG LYS A 67 -14.262 -4.728 1.723 1.00 0.00 C ATOM 1038 CD LYS A 67 -14.539 -4.557 0.239 1.00 0.00 C ATOM 1039 CE LYS A 67 -15.720 -3.632 0.007 1.00 0.00 C ATOM 1040 NZ LYS A 67 -16.015 -3.457 -1.436 1.00 0.00 N ATOM 0 H LYS A 67 -14.338 -7.120 3.259 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.530 -7.076 0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.783 -5.541 3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.189 -5.144 1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.125 -5.189 2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.126 -3.749 2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.655 -4.154 -0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.741 -5.529 -0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.599 -4.034 0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.513 -2.660 0.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.828 -2.818 -1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.186 -3.049 -1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.239 -4.380 -1.859 1.00 0.00 H new ATOM 1054 N ARG A 68 -11.567 -8.192 2.839 1.00 0.00 N ATOM 1055 CA ARG A 68 -10.352 -8.867 3.163 1.00 0.00 C ATOM 1056 C ARG A 68 -10.310 -10.198 2.431 1.00 0.00 C ATOM 1057 O ARG A 68 -9.288 -10.577 1.884 1.00 0.00 O ATOM 1058 CB ARG A 68 -10.313 -9.092 4.674 1.00 0.00 C ATOM 1059 CG ARG A 68 -8.917 -9.094 5.276 1.00 0.00 C ATOM 1060 CD ARG A 68 -8.602 -10.406 5.975 1.00 0.00 C ATOM 1061 NE ARG A 68 -8.449 -11.512 5.028 1.00 0.00 N ATOM 1062 CZ ARG A 68 -9.129 -12.658 5.096 1.00 0.00 C ATOM 1063 NH1 ARG A 68 -10.010 -12.850 6.067 1.00 0.00 N ATOM 1064 NH2 ARG A 68 -8.919 -13.615 4.200 1.00 0.00 N ATOM 0 H ARG A 68 -12.203 -8.102 3.632 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.490 -8.273 2.860 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.903 -8.315 5.160 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.793 -10.044 4.899 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.183 -8.916 4.490 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.828 -8.273 5.988 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.685 -10.296 6.555 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.399 -10.641 6.680 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.779 -11.399 4.267 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.169 -12.121 6.763 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.529 -13.726 6.118 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.236 -13.476 3.456 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.441 -14.489 4.256 1.00 0.00 H new ATOM 1078 N ASP A 69 -11.444 -10.910 2.433 1.00 0.00 N ATOM 1079 CA ASP A 69 -11.555 -12.178 1.714 1.00 0.00 C ATOM 1080 C ASP A 69 -11.539 -11.947 0.232 1.00 0.00 C ATOM 1081 O ASP A 69 -10.966 -12.721 -0.516 1.00 0.00 O ATOM 1082 CB ASP A 69 -12.791 -12.986 2.129 1.00 0.00 C ATOM 1083 CG ASP A 69 -12.583 -13.747 3.425 1.00 0.00 C ATOM 1084 OD1 ASP A 69 -11.749 -14.687 3.441 1.00 0.00 O ATOM 1085 OD2 ASP A 69 -13.256 -13.434 4.428 1.00 0.00 O ATOM 0 H ASP A 69 -12.293 -10.628 2.924 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.685 -12.776 1.987 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.640 -12.312 2.240 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.044 -13.689 1.336 1.00 0.00 H new ATOM 1090 N ILE A 70 -12.176 -10.874 -0.193 1.00 0.00 N ATOM 1091 CA ILE A 70 -12.159 -10.482 -1.586 1.00 0.00 C ATOM 1092 C ILE A 70 -10.722 -10.208 -2.018 1.00 0.00 C ATOM 1093 O ILE A 70 -10.260 -10.709 -3.039 1.00 0.00 O ATOM 1094 CB ILE A 70 -13.033 -9.224 -1.800 1.00 0.00 C ATOM 1095 CG1 ILE A 70 -14.526 -9.561 -1.655 1.00 0.00 C ATOM 1096 CG2 ILE A 70 -12.749 -8.556 -3.145 1.00 0.00 C ATOM 1097 CD1 ILE A 70 -15.032 -10.585 -2.654 1.00 0.00 C ATOM 0 H ILE A 70 -12.715 -10.255 0.412 1.00 0.00 H new ATOM 0 HA ILE A 70 -12.568 -11.291 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 70 -12.768 -8.508 -1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -14.707 -9.933 -0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -15.106 -8.645 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -13.384 -7.677 -3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.702 -8.256 -3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -12.959 -9.259 -3.952 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.093 -10.766 -2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -14.886 -10.208 -3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -14.481 -11.517 -2.531 1.00 0.00 H new ATOM 1109 N TYR A 71 -10.020 -9.445 -1.205 1.00 0.00 N ATOM 1110 CA TYR A 71 -8.609 -9.163 -1.431 1.00 0.00 C ATOM 1111 C TYR A 71 -7.796 -10.451 -1.429 1.00 0.00 C ATOM 1112 O TYR A 71 -6.951 -10.657 -2.269 1.00 0.00 O ATOM 1113 CB TYR A 71 -8.081 -8.180 -0.379 1.00 0.00 C ATOM 1114 CG TYR A 71 -6.595 -7.924 -0.468 1.00 0.00 C ATOM 1115 CD1 TYR A 71 -6.051 -7.244 -1.548 1.00 0.00 C ATOM 1116 CD2 TYR A 71 -5.737 -8.353 0.536 1.00 0.00 C ATOM 1117 CE1 TYR A 71 -4.695 -7.003 -1.627 1.00 0.00 C ATOM 1118 CE2 TYR A 71 -4.380 -8.114 0.464 1.00 0.00 C ATOM 1119 CZ TYR A 71 -3.863 -7.442 -0.618 1.00 0.00 C ATOM 1120 OH TYR A 71 -2.509 -7.196 -0.690 1.00 0.00 O ATOM 0 H TYR A 71 -10.406 -9.002 -0.371 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.503 -8.699 -2.412 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.609 -7.233 -0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -8.314 -8.566 0.613 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.699 -6.898 -2.339 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.139 -8.883 1.387 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.287 -6.473 -2.475 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.727 -8.453 1.254 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.349 -6.230 -0.644 1.00 0.00 H new