USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 912 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 8 MET CE :methyl -150:sc= -0.124 (180deg=-0.888) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -82:sc= -2.69 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 168:sc= -1.99! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 148:sc= -1.36! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0814 X(o=-0.081,f=-0.5) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00092 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.86 X(o=-2.9,f=-2.4) USER MOD Single : A 66 SER OG : rot 180:sc= -0.16 USER MOD Single : A 67 LYS NZ :NH3+ -115:sc= -7.62! (180deg=-14.9!) USER MOD Single : A 77 TYR OH : rot 141:sc= -0.897 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot -154:sc= -2.15 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 60:sc= -0.311 USER MOD Single : A 94 SER OG : rot 160:sc= -0.803 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -10.2! C(o=-10!,f=-15!) USER MOD Single : A 118 LYS NZ :NH3+ 164:sc= -0.0185 (180deg=-0.199) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N MET A 8 -3.789 6.745 -11.423 1.00 0.00 N ATOM 103 CA MET A 8 -2.584 7.251 -10.775 1.00 0.00 C ATOM 104 C MET A 8 -1.848 6.135 -10.045 1.00 0.00 C ATOM 105 O MET A 8 -2.295 5.663 -9.000 1.00 0.00 O ATOM 106 CB MET A 8 -2.935 8.375 -9.797 1.00 0.00 C ATOM 107 CG MET A 8 -1.813 9.380 -9.596 1.00 0.00 C ATOM 108 SD MET A 8 -2.250 11.039 -10.154 1.00 0.00 S ATOM 109 CE MET A 8 -2.788 10.703 -11.828 1.00 0.00 C ATOM 0 HA MET A 8 -1.927 7.648 -11.549 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.819 8.898 -10.161 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.197 7.938 -8.833 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.548 9.415 -8.539 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.928 9.042 -10.135 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.585 11.570 -12.456 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.249 9.839 -12.217 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.858 10.495 -11.831 1.00 0.00 H new ATOM 119 N ARG A 9 -0.720 5.710 -10.606 1.00 0.00 N ATOM 120 CA ARG A 9 0.073 4.638 -10.008 1.00 0.00 C ATOM 121 C ARG A 9 1.399 5.153 -9.455 1.00 0.00 C ATOM 122 O ARG A 9 2.021 6.049 -10.024 1.00 0.00 O ATOM 123 CB ARG A 9 0.324 3.524 -11.033 1.00 0.00 C ATOM 124 CG ARG A 9 1.562 3.735 -11.895 1.00 0.00 C ATOM 125 CD ARG A 9 2.775 3.024 -11.314 1.00 0.00 C ATOM 126 NE ARG A 9 3.581 2.382 -12.349 1.00 0.00 N ATOM 127 CZ ARG A 9 3.157 1.361 -13.090 1.00 0.00 C ATOM 128 NH1 ARG A 9 1.941 0.862 -12.912 1.00 0.00 N ATOM 129 NH2 ARG A 9 3.952 0.836 -14.012 1.00 0.00 N ATOM 0 H ARG A 9 -0.334 6.089 -11.471 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.499 4.235 -9.173 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.420 2.575 -10.505 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.547 3.441 -11.683 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.372 3.367 -12.903 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.770 4.802 -11.979 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.389 3.741 -10.769 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.446 2.275 -10.594 1.00 0.00 H new ATOM 0 HE ARG A 9 4.523 2.737 -12.513 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.325 1.261 -12.204 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.622 0.079 -13.483 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.889 1.215 -14.153 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.627 0.053 -14.580 1.00 0.00 H new ATOM 143 N LEU A 10 1.836 4.549 -8.352 1.00 0.00 N ATOM 144 CA LEU A 10 3.105 4.914 -7.728 1.00 0.00 C ATOM 145 C LEU A 10 4.051 3.720 -7.744 1.00 0.00 C ATOM 146 O LEU A 10 3.623 2.581 -7.933 1.00 0.00 O ATOM 147 CB LEU A 10 2.923 5.413 -6.281 1.00 0.00 C ATOM 148 CG LEU A 10 1.501 5.356 -5.714 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.521 5.565 -4.202 1.00 0.00 C ATOM 150 CD2 LEU A 10 0.622 6.400 -6.383 1.00 0.00 C ATOM 0 H LEU A 10 1.330 3.805 -7.872 1.00 0.00 H new ATOM 0 HA LEU A 10 3.528 5.735 -8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.573 4.825 -5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.270 6.445 -6.229 1.00 0.00 H new ATOM 0 HG LEU A 10 1.085 4.370 -5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.503 5.522 -3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.120 4.784 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.954 6.539 -3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.385 6.347 -5.969 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.036 7.392 -6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.584 6.210 -7.456 1.00 0.00 H new ATOM 162 N ARG A 11 5.336 3.983 -7.553 1.00 0.00 N ATOM 163 CA ARG A 11 6.335 2.923 -7.549 1.00 0.00 C ATOM 164 C ARG A 11 6.812 2.632 -6.128 1.00 0.00 C ATOM 165 O ARG A 11 6.953 3.544 -5.313 1.00 0.00 O ATOM 166 CB ARG A 11 7.521 3.314 -8.435 1.00 0.00 C ATOM 167 CG ARG A 11 7.838 2.290 -9.514 1.00 0.00 C ATOM 168 CD ARG A 11 8.069 0.908 -8.925 1.00 0.00 C ATOM 169 NE ARG A 11 9.125 0.184 -9.629 1.00 0.00 N ATOM 170 CZ ARG A 11 9.274 -1.138 -9.587 1.00 0.00 C ATOM 171 NH1 ARG A 11 8.440 -1.886 -8.874 1.00 0.00 N ATOM 172 NH2 ARG A 11 10.260 -1.715 -10.260 1.00 0.00 N ATOM 0 H ARG A 11 5.711 4.919 -7.399 1.00 0.00 H new ATOM 0 HA ARG A 11 5.877 2.018 -7.948 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.310 4.274 -8.907 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.402 3.454 -7.808 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.016 2.248 -10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.725 2.604 -10.065 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.334 1.002 -7.872 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.143 0.335 -8.971 1.00 0.00 H new ATOM 0 HE ARG A 11 9.787 0.724 -10.186 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.680 -1.448 -8.354 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.560 -2.899 -8.846 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.904 -1.146 -10.809 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.375 -2.728 -10.228 1.00 0.00 H new ATOM 186 N ILE A 12 7.062 1.359 -5.836 1.00 0.00 N ATOM 187 CA ILE A 12 7.527 0.954 -4.517 1.00 0.00 C ATOM 188 C ILE A 12 8.495 -0.218 -4.647 1.00 0.00 C ATOM 189 O ILE A 12 8.087 -1.361 -4.859 1.00 0.00 O ATOM 190 CB ILE A 12 6.332 0.603 -3.581 1.00 0.00 C ATOM 191 CG1 ILE A 12 6.019 1.794 -2.675 1.00 0.00 C ATOM 192 CG2 ILE A 12 6.600 -0.638 -2.741 1.00 0.00 C ATOM 193 CD1 ILE A 12 4.655 1.715 -2.024 1.00 0.00 C ATOM 0 H ILE A 12 6.950 0.591 -6.497 1.00 0.00 H new ATOM 0 HA ILE A 12 8.056 1.791 -4.060 1.00 0.00 H new ATOM 0 HB ILE A 12 5.472 0.383 -4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.781 1.859 -1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.081 2.712 -3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.738 -0.841 -2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.776 -1.490 -3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.479 -0.473 -2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.500 2.592 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.885 1.681 -2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.596 0.815 -1.412 1.00 0.00 H new ATOM 205 N ARG A 13 9.786 0.082 -4.540 1.00 0.00 N ATOM 206 CA ARG A 13 10.819 -0.953 -4.667 1.00 0.00 C ATOM 207 C ARG A 13 11.375 -1.386 -3.324 1.00 0.00 C ATOM 208 O ARG A 13 11.324 -0.654 -2.334 1.00 0.00 O ATOM 209 CB ARG A 13 11.975 -0.525 -5.582 1.00 0.00 C ATOM 210 CG ARG A 13 11.508 0.087 -6.884 1.00 0.00 C ATOM 211 CD ARG A 13 12.338 1.302 -7.267 1.00 0.00 C ATOM 212 NE ARG A 13 11.861 1.923 -8.500 1.00 0.00 N ATOM 213 CZ ARG A 13 12.144 1.468 -9.717 1.00 0.00 C ATOM 214 NH1 ARG A 13 12.899 0.385 -9.870 1.00 0.00 N ATOM 215 NH2 ARG A 13 11.672 2.093 -10.787 1.00 0.00 N ATOM 0 H ARG A 13 10.144 1.021 -4.368 1.00 0.00 H new ATOM 0 HA ARG A 13 10.313 -1.803 -5.125 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.601 0.194 -5.054 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.599 -1.392 -5.799 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.567 -0.658 -7.677 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.461 0.376 -6.795 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.307 2.032 -6.458 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.380 1.006 -7.390 1.00 0.00 H new ATOM 0 HE ARG A 13 11.276 2.755 -8.423 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.265 -0.102 -9.051 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.113 0.040 -10.806 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.091 2.924 -10.677 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.890 1.743 -11.720 1.00 0.00 H new ATOM 229 N PHE A 14 11.916 -2.593 -3.323 1.00 0.00 N ATOM 230 CA PHE A 14 12.514 -3.190 -2.138 1.00 0.00 C ATOM 231 C PHE A 14 13.851 -3.821 -2.506 1.00 0.00 C ATOM 232 O PHE A 14 13.978 -4.460 -3.551 1.00 0.00 O ATOM 233 CB PHE A 14 11.581 -4.248 -1.539 1.00 0.00 C ATOM 234 CG PHE A 14 10.709 -3.735 -0.425 1.00 0.00 C ATOM 235 CD1 PHE A 14 9.876 -2.645 -0.625 1.00 0.00 C ATOM 236 CD2 PHE A 14 10.721 -4.343 0.822 1.00 0.00 C ATOM 237 CE1 PHE A 14 9.073 -2.171 0.397 1.00 0.00 C ATOM 238 CE2 PHE A 14 9.920 -3.873 1.846 1.00 0.00 C ATOM 239 CZ PHE A 14 9.096 -2.786 1.633 1.00 0.00 C ATOM 0 H PHE A 14 11.953 -3.191 -4.149 1.00 0.00 H new ATOM 0 HA PHE A 14 12.673 -2.411 -1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.946 -4.647 -2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.182 -5.077 -1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.854 -2.160 -1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.364 -5.194 0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.429 -1.321 0.228 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.939 -4.356 2.812 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.470 -2.417 2.432 1.00 0.00 H new ATOM 249 N GLU A 15 14.849 -3.624 -1.656 1.00 0.00 N ATOM 250 CA GLU A 15 16.189 -4.160 -1.900 1.00 0.00 C ATOM 251 C GLU A 15 16.151 -5.605 -2.394 1.00 0.00 C ATOM 252 O GLU A 15 17.051 -6.047 -3.109 1.00 0.00 O ATOM 253 CB GLU A 15 17.046 -4.084 -0.630 1.00 0.00 C ATOM 254 CG GLU A 15 17.988 -2.891 -0.583 1.00 0.00 C ATOM 255 CD GLU A 15 17.395 -1.635 -1.199 1.00 0.00 C ATOM 256 OE1 GLU A 15 16.380 -1.138 -0.669 1.00 0.00 O ATOM 257 OE2 GLU A 15 17.947 -1.153 -2.210 1.00 0.00 O ATOM 0 H GLU A 15 14.760 -3.096 -0.788 1.00 0.00 H new ATOM 0 HA GLU A 15 16.633 -3.543 -2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.387 -4.047 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.632 -4.999 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.255 -2.688 0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.910 -3.144 -1.106 1.00 0.00 H new ATOM 264 N SER A 16 15.125 -6.344 -1.995 1.00 0.00 N ATOM 265 CA SER A 16 15.000 -7.744 -2.391 1.00 0.00 C ATOM 266 C SER A 16 13.664 -8.025 -3.072 1.00 0.00 C ATOM 267 O SER A 16 13.214 -9.170 -3.105 1.00 0.00 O ATOM 268 CB SER A 16 15.155 -8.649 -1.166 1.00 0.00 C ATOM 269 OG SER A 16 14.411 -8.151 -0.066 1.00 0.00 O ATOM 0 H SER A 16 14.370 -6.002 -1.401 1.00 0.00 H new ATOM 0 HA SER A 16 15.792 -7.955 -3.110 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.819 -9.657 -1.410 1.00 0.00 H new ATOM 0 HB3 SER A 16 16.208 -8.721 -0.894 1.00 0.00 H new ATOM 0 HG SER A 16 14.526 -8.747 0.703 1.00 0.00 H new ATOM 275 N ALA A 17 13.028 -6.991 -3.618 1.00 0.00 N ATOM 276 CA ALA A 17 11.740 -7.183 -4.296 1.00 0.00 C ATOM 277 C ALA A 17 11.234 -5.903 -4.956 1.00 0.00 C ATOM 278 O ALA A 17 11.518 -4.799 -4.499 1.00 0.00 O ATOM 279 CB ALA A 17 10.699 -7.718 -3.318 1.00 0.00 C ATOM 0 H ALA A 17 13.370 -6.030 -3.608 1.00 0.00 H new ATOM 0 HA ALA A 17 11.902 -7.914 -5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.750 -7.855 -3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.035 -8.674 -2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.568 -7.008 -2.502 1.00 0.00 H new ATOM 285 N GLU A 18 10.472 -6.071 -6.038 1.00 0.00 N ATOM 286 CA GLU A 18 9.908 -4.936 -6.774 1.00 0.00 C ATOM 287 C GLU A 18 8.432 -5.169 -7.100 1.00 0.00 C ATOM 288 O GLU A 18 8.022 -6.296 -7.375 1.00 0.00 O ATOM 289 CB GLU A 18 10.694 -4.698 -8.064 1.00 0.00 C ATOM 290 CG GLU A 18 10.654 -5.874 -9.027 1.00 0.00 C ATOM 291 CD GLU A 18 11.999 -6.147 -9.669 1.00 0.00 C ATOM 292 OE1 GLU A 18 12.879 -6.714 -8.986 1.00 0.00 O ATOM 293 OE2 GLU A 18 12.174 -5.795 -10.854 1.00 0.00 O ATOM 0 H GLU A 18 10.230 -6.983 -6.425 1.00 0.00 H new ATOM 0 HA GLU A 18 9.984 -4.053 -6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.296 -3.815 -8.565 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.732 -4.480 -7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.323 -6.765 -8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.917 -5.676 -9.806 1.00 0.00 H new ATOM 300 N CYS A 19 7.633 -4.098 -7.063 1.00 0.00 N ATOM 301 CA CYS A 19 6.199 -4.211 -7.358 1.00 0.00 C ATOM 302 C CYS A 19 5.568 -2.838 -7.602 1.00 0.00 C ATOM 303 O CYS A 19 5.990 -1.842 -7.016 1.00 0.00 O ATOM 304 CB CYS A 19 5.455 -4.927 -6.211 1.00 0.00 C ATOM 305 SG CYS A 19 6.421 -5.154 -4.697 1.00 0.00 S ATOM 0 H CYS A 19 7.948 -3.155 -6.835 1.00 0.00 H new ATOM 0 HA CYS A 19 6.104 -4.803 -8.268 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.557 -4.358 -5.969 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.127 -5.904 -6.565 1.00 0.00 H new ATOM 0 HG CYS A 19 7.179 -6.203 -4.819 1.00 0.00 H new ATOM 311 N GLU A 20 4.548 -2.792 -8.466 1.00 0.00 N ATOM 312 CA GLU A 20 3.862 -1.540 -8.771 1.00 0.00 C ATOM 313 C GLU A 20 2.409 -1.604 -8.304 1.00 0.00 C ATOM 314 O GLU A 20 1.841 -2.687 -8.166 1.00 0.00 O ATOM 315 CB GLU A 20 3.916 -1.246 -10.275 1.00 0.00 C ATOM 316 CG GLU A 20 5.175 -1.754 -10.956 1.00 0.00 C ATOM 317 CD GLU A 20 5.384 -1.145 -12.328 1.00 0.00 C ATOM 318 OE1 GLU A 20 4.812 -1.673 -13.305 1.00 0.00 O ATOM 319 OE2 GLU A 20 6.120 -0.140 -12.426 1.00 0.00 O ATOM 0 H GLU A 20 4.184 -3.605 -8.962 1.00 0.00 H new ATOM 0 HA GLU A 20 4.370 -0.734 -8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.048 -1.697 -10.755 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.841 -0.169 -10.428 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.038 -1.531 -10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.121 -2.839 -11.049 1.00 0.00 H new ATOM 326 N VAL A 21 1.817 -0.442 -8.057 1.00 0.00 N ATOM 327 CA VAL A 21 0.433 -0.375 -7.599 1.00 0.00 C ATOM 328 C VAL A 21 -0.250 0.902 -8.085 1.00 0.00 C ATOM 329 O VAL A 21 0.340 1.983 -8.066 1.00 0.00 O ATOM 330 CB VAL A 21 0.338 -0.483 -6.050 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.719 -0.410 -5.413 1.00 0.00 C ATOM 332 CG2 VAL A 21 -0.576 0.589 -5.463 1.00 0.00 C ATOM 0 H VAL A 21 2.271 0.465 -8.165 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.089 -1.229 -8.030 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.100 -1.455 -5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.625 -0.488 -4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.334 -1.230 -5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.188 0.540 -5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.616 0.480 -4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.187 1.576 -5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.579 0.478 -5.876 1.00 0.00 H new ATOM 342 N GLU A 22 -1.501 0.762 -8.512 1.00 0.00 N ATOM 343 CA GLU A 22 -2.283 1.894 -9.001 1.00 0.00 C ATOM 344 C GLU A 22 -3.142 2.467 -7.880 1.00 0.00 C ATOM 345 O GLU A 22 -3.084 1.994 -6.746 1.00 0.00 O ATOM 346 CB GLU A 22 -3.167 1.463 -10.172 1.00 0.00 C ATOM 347 CG GLU A 22 -2.382 1.025 -11.398 1.00 0.00 C ATOM 348 CD GLU A 22 -2.750 -0.372 -11.860 1.00 0.00 C ATOM 349 OE1 GLU A 22 -2.740 -1.296 -11.019 1.00 0.00 O ATOM 350 OE2 GLU A 22 -3.049 -0.540 -13.061 1.00 0.00 O ATOM 0 H GLU A 22 -1.998 -0.129 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.596 2.666 -9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.808 0.643 -9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.821 2.291 -10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.560 1.730 -12.210 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.316 1.060 -11.173 1.00 0.00 H new ATOM 357 N LEU A 23 -3.935 3.487 -8.192 1.00 0.00 N ATOM 358 CA LEU A 23 -4.797 4.106 -7.191 1.00 0.00 C ATOM 359 C LEU A 23 -6.008 4.765 -7.846 1.00 0.00 C ATOM 360 O LEU A 23 -5.920 5.289 -8.956 1.00 0.00 O ATOM 361 CB LEU A 23 -3.999 5.128 -6.366 1.00 0.00 C ATOM 362 CG LEU A 23 -4.812 6.232 -5.672 1.00 0.00 C ATOM 363 CD1 LEU A 23 -5.496 5.700 -4.419 1.00 0.00 C ATOM 364 CD2 LEU A 23 -3.907 7.402 -5.319 1.00 0.00 C ATOM 0 H LEU A 23 -3.999 3.900 -9.122 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.164 3.328 -6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.437 4.588 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.270 5.603 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.584 6.573 -6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.065 6.501 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.170 4.887 -4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.743 5.330 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.492 8.179 -4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.118 7.062 -4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.461 7.804 -6.229 1.00 0.00 H new ATOM 376 N TYR A 24 -7.135 4.738 -7.143 1.00 0.00 N ATOM 377 CA TYR A 24 -8.366 5.338 -7.649 1.00 0.00 C ATOM 378 C TYR A 24 -8.950 6.319 -6.634 1.00 0.00 C ATOM 379 O TYR A 24 -8.800 6.140 -5.425 1.00 0.00 O ATOM 380 CB TYR A 24 -9.397 4.254 -8.005 1.00 0.00 C ATOM 381 CG TYR A 24 -8.911 3.281 -9.055 1.00 0.00 C ATOM 382 CD1 TYR A 24 -8.193 3.723 -10.160 1.00 0.00 C ATOM 383 CD2 TYR A 24 -9.169 1.921 -8.942 1.00 0.00 C ATOM 384 CE1 TYR A 24 -7.748 2.837 -11.122 1.00 0.00 C ATOM 385 CE2 TYR A 24 -8.726 1.029 -9.901 1.00 0.00 C ATOM 386 CZ TYR A 24 -8.016 1.491 -10.988 1.00 0.00 C ATOM 387 OH TYR A 24 -7.573 0.606 -11.944 1.00 0.00 O ATOM 0 H TYR A 24 -7.223 4.308 -6.222 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.122 5.890 -8.557 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.658 3.702 -7.102 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.309 4.734 -8.360 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.980 4.776 -10.268 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.725 1.554 -8.091 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.193 3.197 -11.975 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.936 -0.026 -9.799 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.844 -0.303 -11.699 1.00 0.00 H new ATOM 397 N GLU A 25 -9.600 7.366 -7.139 1.00 0.00 N ATOM 398 CA GLU A 25 -10.195 8.399 -6.281 1.00 0.00 C ATOM 399 C GLU A 25 -11.189 7.829 -5.262 1.00 0.00 C ATOM 400 O GLU A 25 -11.646 8.555 -4.379 1.00 0.00 O ATOM 401 CB GLU A 25 -10.898 9.466 -7.124 1.00 0.00 C ATOM 402 CG GLU A 25 -9.961 10.306 -7.981 1.00 0.00 C ATOM 403 CD GLU A 25 -10.651 10.883 -9.201 1.00 0.00 C ATOM 404 OE1 GLU A 25 -10.975 10.105 -10.121 1.00 0.00 O ATOM 405 OE2 GLU A 25 -10.868 12.113 -9.233 1.00 0.00 O ATOM 0 H GLU A 25 -9.730 7.525 -8.138 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.368 8.844 -5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.626 8.978 -7.773 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.455 10.127 -6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.554 11.119 -7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.118 9.693 -8.300 1.00 0.00 H new ATOM 412 N GLU A 26 -11.541 6.549 -5.384 1.00 0.00 N ATOM 413 CA GLU A 26 -12.496 5.930 -4.463 1.00 0.00 C ATOM 414 C GLU A 26 -12.181 6.291 -3.011 1.00 0.00 C ATOM 415 O GLU A 26 -13.080 6.362 -2.174 1.00 0.00 O ATOM 416 CB GLU A 26 -12.496 4.407 -4.640 1.00 0.00 C ATOM 417 CG GLU A 26 -11.269 3.718 -4.059 1.00 0.00 C ATOM 418 CD GLU A 26 -11.199 2.248 -4.424 1.00 0.00 C ATOM 419 OE1 GLU A 26 -12.248 1.571 -4.365 1.00 0.00 O ATOM 420 OE2 GLU A 26 -10.098 1.772 -4.770 1.00 0.00 O ATOM 0 H GLU A 26 -11.183 5.924 -6.106 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.487 6.316 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.389 3.996 -4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.562 4.175 -5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.371 4.221 -4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.280 3.819 -2.974 1.00 0.00 H new ATOM 427 N TRP A 27 -10.907 6.540 -2.723 1.00 0.00 N ATOM 428 CA TRP A 27 -10.489 6.919 -1.383 1.00 0.00 C ATOM 429 C TRP A 27 -10.753 8.408 -1.165 1.00 0.00 C ATOM 430 O TRP A 27 -11.471 8.786 -0.240 1.00 0.00 O ATOM 431 CB TRP A 27 -9.004 6.586 -1.178 1.00 0.00 C ATOM 432 CG TRP A 27 -8.407 7.185 0.059 1.00 0.00 C ATOM 433 CD1 TRP A 27 -9.074 7.631 1.163 1.00 0.00 C ATOM 434 CD2 TRP A 27 -7.016 7.396 0.314 1.00 0.00 C ATOM 435 NE1 TRP A 27 -8.178 8.110 2.090 1.00 0.00 N ATOM 436 CE2 TRP A 27 -6.908 7.976 1.591 1.00 0.00 C ATOM 437 CE3 TRP A 27 -5.849 7.151 -0.414 1.00 0.00 C ATOM 438 CZ2 TRP A 27 -5.682 8.313 2.153 1.00 0.00 C ATOM 439 CZ3 TRP A 27 -4.631 7.487 0.144 1.00 0.00 C ATOM 440 CH2 TRP A 27 -4.556 8.062 1.419 1.00 0.00 C ATOM 0 H TRP A 27 -10.148 6.485 -3.402 1.00 0.00 H new ATOM 0 HA TRP A 27 -11.065 6.354 -0.650 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.888 5.503 -1.136 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.442 6.934 -2.045 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -10.146 7.611 1.290 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.419 8.501 3.001 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.898 6.706 -1.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -5.621 8.758 3.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.723 7.304 -0.411 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.589 8.312 1.831 1.00 0.00 H new ATOM 451 N ALA A 28 -10.187 9.245 -2.044 1.00 0.00 N ATOM 452 CA ALA A 28 -10.375 10.701 -1.974 1.00 0.00 C ATOM 453 C ALA A 28 -9.223 11.453 -2.645 1.00 0.00 C ATOM 454 O ALA A 28 -8.089 11.410 -2.169 1.00 0.00 O ATOM 455 CB ALA A 28 -10.524 11.175 -0.531 1.00 0.00 C ATOM 0 H ALA A 28 -9.593 8.938 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.295 10.923 -2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.661 12.256 -0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.390 10.693 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.627 10.915 0.032 1.00 0.00 H new ATOM 461 N PRO A 29 -9.497 12.160 -3.762 1.00 0.00 N ATOM 462 CA PRO A 29 -8.473 12.920 -4.482 1.00 0.00 C ATOM 463 C PRO A 29 -7.607 13.769 -3.549 1.00 0.00 C ATOM 464 O PRO A 29 -6.410 13.933 -3.778 1.00 0.00 O ATOM 465 CB PRO A 29 -9.267 13.830 -5.435 1.00 0.00 C ATOM 466 CG PRO A 29 -10.719 13.535 -5.211 1.00 0.00 C ATOM 467 CD PRO A 29 -10.813 12.267 -4.406 1.00 0.00 C ATOM 0 HA PRO A 29 -7.781 12.252 -4.995 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -9.051 14.880 -5.236 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.990 13.639 -6.472 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -11.199 14.359 -4.683 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.237 13.422 -6.163 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.615 12.320 -3.670 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -11.019 11.405 -5.041 1.00 0.00 H new ATOM 475 N GLU A 30 -8.224 14.310 -2.501 1.00 0.00 N ATOM 476 CA GLU A 30 -7.506 15.149 -1.539 1.00 0.00 C ATOM 477 C GLU A 30 -6.368 14.378 -0.876 1.00 0.00 C ATOM 478 O GLU A 30 -5.226 14.838 -0.857 1.00 0.00 O ATOM 479 CB GLU A 30 -8.457 15.691 -0.461 1.00 0.00 C ATOM 480 CG GLU A 30 -9.140 16.999 -0.838 1.00 0.00 C ATOM 481 CD GLU A 30 -8.411 18.213 -0.296 1.00 0.00 C ATOM 482 OE1 GLU A 30 -8.156 18.257 0.925 1.00 0.00 O ATOM 483 OE2 GLU A 30 -8.093 19.118 -1.095 1.00 0.00 O ATOM 0 H GLU A 30 -9.215 14.184 -2.295 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.085 15.988 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.220 14.941 -0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.897 15.839 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.203 17.072 -1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.162 16.994 -0.459 1.00 0.00 H new ATOM 490 N THR A 31 -6.683 13.207 -0.334 1.00 0.00 N ATOM 491 CA THR A 31 -5.670 12.379 0.330 1.00 0.00 C ATOM 492 C THR A 31 -4.600 11.941 -0.667 1.00 0.00 C ATOM 493 O THR A 31 -3.405 12.025 -0.387 1.00 0.00 O ATOM 494 CB THR A 31 -6.313 11.150 0.991 1.00 0.00 C ATOM 495 OG1 THR A 31 -7.681 11.047 0.636 1.00 0.00 O ATOM 496 CG2 THR A 31 -6.233 11.160 2.508 1.00 0.00 C ATOM 0 H THR A 31 -7.622 12.808 -0.338 1.00 0.00 H new ATOM 0 HA THR A 31 -5.200 12.981 1.108 1.00 0.00 H new ATOM 0 HB THR A 31 -5.740 10.299 0.622 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.021 10.165 0.895 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.707 10.262 2.903 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.188 11.185 2.817 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.746 12.041 2.894 1.00 0.00 H new ATOM 504 N VAL A 32 -5.038 11.482 -1.838 1.00 0.00 N ATOM 505 CA VAL A 32 -4.124 11.040 -2.887 1.00 0.00 C ATOM 506 C VAL A 32 -2.985 12.041 -3.087 1.00 0.00 C ATOM 507 O VAL A 32 -1.876 11.668 -3.468 1.00 0.00 O ATOM 508 CB VAL A 32 -4.867 10.852 -4.227 1.00 0.00 C ATOM 509 CG1 VAL A 32 -3.920 10.370 -5.314 1.00 0.00 C ATOM 510 CG2 VAL A 32 -6.030 9.883 -4.058 1.00 0.00 C ATOM 0 H VAL A 32 -6.025 11.407 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.709 10.084 -2.566 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.264 11.820 -4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.470 10.246 -6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.126 11.103 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.484 9.415 -5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.544 9.761 -5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.653 8.917 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.727 10.277 -3.318 1.00 0.00 H new ATOM 520 N ARG A 33 -3.273 13.313 -2.828 1.00 0.00 N ATOM 521 CA ARG A 33 -2.277 14.370 -2.981 1.00 0.00 C ATOM 522 C ARG A 33 -1.072 14.127 -2.071 1.00 0.00 C ATOM 523 O ARG A 33 0.070 14.366 -2.467 1.00 0.00 O ATOM 524 CB ARG A 33 -2.895 15.739 -2.678 1.00 0.00 C ATOM 525 CG ARG A 33 -2.138 16.907 -3.293 1.00 0.00 C ATOM 526 CD ARG A 33 -2.661 18.240 -2.781 1.00 0.00 C ATOM 527 NE ARG A 33 -1.607 19.250 -2.705 1.00 0.00 N ATOM 528 CZ ARG A 33 -1.837 20.561 -2.666 1.00 0.00 C ATOM 529 NH1 ARG A 33 -3.080 21.026 -2.694 1.00 0.00 N ATOM 530 NH2 ARG A 33 -0.821 21.410 -2.597 1.00 0.00 N ATOM 0 H ARG A 33 -4.187 13.637 -2.511 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.934 14.358 -4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.922 15.752 -3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.939 15.876 -1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.077 16.817 -3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.230 16.871 -4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.455 18.594 -3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.102 18.101 -1.794 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.638 18.932 -2.680 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.866 20.378 -2.746 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.249 22.031 -2.664 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.136 21.059 -2.574 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.997 22.414 -2.567 1.00 0.00 H new ATOM 544 N ALA A 34 -1.328 13.649 -0.855 1.00 0.00 N ATOM 545 CA ALA A 34 -0.257 13.376 0.098 1.00 0.00 C ATOM 546 C ALA A 34 0.672 12.292 -0.427 1.00 0.00 C ATOM 547 O ALA A 34 1.895 12.441 -0.397 1.00 0.00 O ATOM 548 CB ALA A 34 -0.834 12.977 1.447 1.00 0.00 C ATOM 0 H ALA A 34 -2.265 13.444 -0.508 1.00 0.00 H new ATOM 0 HA ALA A 34 0.325 14.289 0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.021 12.777 2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.453 13.788 1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.442 12.080 1.332 1.00 0.00 H new ATOM 554 N ILE A 35 0.090 11.205 -0.921 1.00 0.00 N ATOM 555 CA ILE A 35 0.883 10.107 -1.469 1.00 0.00 C ATOM 556 C ILE A 35 1.791 10.635 -2.582 1.00 0.00 C ATOM 557 O ILE A 35 2.995 10.378 -2.587 1.00 0.00 O ATOM 558 CB ILE A 35 0.015 8.961 -2.048 1.00 0.00 C ATOM 559 CG1 ILE A 35 -1.432 9.042 -1.557 1.00 0.00 C ATOM 560 CG2 ILE A 35 0.618 7.612 -1.686 1.00 0.00 C ATOM 561 CD1 ILE A 35 -1.569 8.955 -0.052 1.00 0.00 C ATOM 0 H ILE A 35 -0.919 11.059 -0.954 1.00 0.00 H new ATOM 0 HA ILE A 35 1.464 9.700 -0.641 1.00 0.00 H new ATOM 0 HB ILE A 35 0.002 9.071 -3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.871 9.979 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.007 8.236 -2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.000 6.815 -2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.624 7.541 -2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.663 7.513 -0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.622 9.019 0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.161 8.006 0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.023 9.777 0.411 1.00 0.00 H new ATOM 573 N ALA A 36 1.203 11.395 -3.517 1.00 0.00 N ATOM 574 CA ALA A 36 1.961 11.975 -4.620 1.00 0.00 C ATOM 575 C ALA A 36 2.983 12.974 -4.090 1.00 0.00 C ATOM 576 O ALA A 36 4.018 13.204 -4.707 1.00 0.00 O ATOM 577 CB ALA A 36 1.028 12.646 -5.616 1.00 0.00 C ATOM 0 H ALA A 36 0.208 11.618 -3.526 1.00 0.00 H new ATOM 0 HA ALA A 36 2.491 11.174 -5.135 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.612 13.073 -6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.331 11.909 -6.016 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.471 13.438 -5.116 1.00 0.00 H new ATOM 583 N ASP A 37 2.688 13.566 -2.940 1.00 0.00 N ATOM 584 CA ASP A 37 3.606 14.528 -2.338 1.00 0.00 C ATOM 585 C ASP A 37 4.829 13.813 -1.750 1.00 0.00 C ATOM 586 O ASP A 37 5.896 14.409 -1.596 1.00 0.00 O ATOM 587 CB ASP A 37 2.897 15.333 -1.247 1.00 0.00 C ATOM 588 CG ASP A 37 3.560 16.672 -0.995 1.00 0.00 C ATOM 589 OD1 ASP A 37 3.599 17.500 -1.929 1.00 0.00 O ATOM 590 OD2 ASP A 37 4.042 16.893 0.136 1.00 0.00 O ATOM 0 H ASP A 37 1.832 13.401 -2.410 1.00 0.00 H new ATOM 0 HA ASP A 37 3.942 15.211 -3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.858 15.493 -1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.886 14.756 -0.322 1.00 0.00 H new ATOM 595 N ALA A 38 4.658 12.534 -1.413 1.00 0.00 N ATOM 596 CA ALA A 38 5.719 11.726 -0.833 1.00 0.00 C ATOM 597 C ALA A 38 6.434 10.872 -1.889 1.00 0.00 C ATOM 598 O ALA A 38 6.629 9.671 -1.698 1.00 0.00 O ATOM 599 CB ALA A 38 5.127 10.842 0.254 1.00 0.00 C ATOM 0 H ALA A 38 3.778 12.034 -1.537 1.00 0.00 H new ATOM 0 HA ALA A 38 6.468 12.393 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.915 10.232 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.676 11.466 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.365 10.194 -0.179 1.00 0.00 H new ATOM 605 N LEU A 39 6.835 11.504 -2.989 1.00 0.00 N ATOM 606 CA LEU A 39 7.548 10.805 -4.068 1.00 0.00 C ATOM 607 C LEU A 39 8.887 10.250 -3.530 1.00 0.00 C ATOM 608 O LEU A 39 9.001 10.073 -2.320 1.00 0.00 O ATOM 609 CB LEU A 39 7.713 11.737 -5.279 1.00 0.00 C ATOM 610 CG LEU A 39 6.402 12.305 -5.849 1.00 0.00 C ATOM 611 CD1 LEU A 39 6.606 12.752 -7.289 1.00 0.00 C ATOM 612 CD2 LEU A 39 5.273 11.276 -5.774 1.00 0.00 C ATOM 0 H LEU A 39 6.681 12.497 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 39 6.970 9.949 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.357 12.569 -4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.229 11.192 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 39 6.117 13.165 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.671 13.152 -7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.375 13.524 -7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.918 11.900 -7.893 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.360 11.707 -6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.547 10.392 -6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.106 10.994 -4.734 1.00 0.00 H new ATOM 624 N PRO A 40 9.918 9.920 -4.372 1.00 0.00 N ATOM 625 CA PRO A 40 11.179 9.359 -3.878 1.00 0.00 C ATOM 626 C PRO A 40 11.554 9.814 -2.470 1.00 0.00 C ATOM 627 O PRO A 40 11.978 10.950 -2.257 1.00 0.00 O ATOM 628 CB PRO A 40 12.186 9.859 -4.901 1.00 0.00 C ATOM 629 CG PRO A 40 11.431 9.870 -6.188 1.00 0.00 C ATOM 630 CD PRO A 40 9.963 10.035 -5.848 1.00 0.00 C ATOM 0 HA PRO A 40 11.128 8.274 -3.784 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.551 10.854 -4.646 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.056 9.204 -4.956 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.772 10.685 -6.826 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.596 8.944 -6.738 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.582 10.999 -6.184 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.354 9.267 -6.326 1.00 0.00 H new ATOM 638 N ILE A 41 11.400 8.899 -1.519 1.00 0.00 N ATOM 639 CA ILE A 41 11.721 9.160 -0.121 1.00 0.00 C ATOM 640 C ILE A 41 12.158 7.862 0.556 1.00 0.00 C ATOM 641 O ILE A 41 11.716 6.780 0.174 1.00 0.00 O ATOM 642 CB ILE A 41 10.517 9.774 0.636 1.00 0.00 C ATOM 643 CG1 ILE A 41 10.284 11.221 0.184 1.00 0.00 C ATOM 644 CG2 ILE A 41 10.743 9.728 2.144 1.00 0.00 C ATOM 645 CD1 ILE A 41 9.171 11.925 0.935 1.00 0.00 C ATOM 0 H ILE A 41 11.050 7.957 -1.695 1.00 0.00 H new ATOM 0 HA ILE A 41 12.535 9.884 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 41 9.632 9.183 0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.208 11.785 0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.051 11.226 -0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.884 10.165 2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.866 8.693 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.640 10.294 2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.066 12.943 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.235 11.386 0.788 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.410 11.953 1.998 1.00 0.00 H new ATOM 657 N LYS A 42 13.036 7.970 1.547 1.00 0.00 N ATOM 658 CA LYS A 42 13.534 6.790 2.248 1.00 0.00 C ATOM 659 C LYS A 42 12.606 6.379 3.391 1.00 0.00 C ATOM 660 O LYS A 42 12.152 7.215 4.170 1.00 0.00 O ATOM 661 CB LYS A 42 14.946 7.044 2.781 1.00 0.00 C ATOM 662 CG LYS A 42 16.039 6.780 1.758 1.00 0.00 C ATOM 663 CD LYS A 42 17.343 6.366 2.419 1.00 0.00 C ATOM 664 CE LYS A 42 18.318 7.529 2.505 1.00 0.00 C ATOM 665 NZ LYS A 42 19.679 7.083 2.917 1.00 0.00 N ATOM 0 H LYS A 42 13.416 8.855 1.882 1.00 0.00 H new ATOM 0 HA LYS A 42 13.564 5.969 1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 42 15.018 8.078 3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.115 6.412 3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.714 5.997 1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 42 16.203 7.677 1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.140 5.985 3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 42 17.796 5.551 1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 42 18.376 8.026 1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.945 8.264 3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 20.314 7.905 2.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.628 6.631 3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 20.046 6.401 2.223 1.00 0.00 H new ATOM 679 N SER A 43 12.335 5.077 3.479 1.00 0.00 N ATOM 680 CA SER A 43 11.469 4.530 4.519 1.00 0.00 C ATOM 681 C SER A 43 11.976 3.165 4.981 1.00 0.00 C ATOM 682 O SER A 43 12.572 2.420 4.201 1.00 0.00 O ATOM 683 CB SER A 43 10.029 4.412 4.013 1.00 0.00 C ATOM 684 OG SER A 43 9.816 3.185 3.340 1.00 0.00 O ATOM 0 H SER A 43 12.707 4.378 2.836 1.00 0.00 H new ATOM 0 HA SER A 43 11.487 5.213 5.368 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.339 4.492 4.853 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.809 5.241 3.340 1.00 0.00 H new ATOM 0 HG SER A 43 8.892 2.891 3.480 1.00 0.00 H new ATOM 690 N THR A 44 11.737 2.839 6.248 1.00 0.00 N ATOM 691 CA THR A 44 12.178 1.556 6.801 1.00 0.00 C ATOM 692 C THR A 44 11.004 0.584 6.879 1.00 0.00 C ATOM 693 O THR A 44 9.988 0.866 7.513 1.00 0.00 O ATOM 694 CB THR A 44 12.791 1.754 8.189 1.00 0.00 C ATOM 695 OG1 THR A 44 13.178 3.102 8.381 1.00 0.00 O ATOM 696 CG2 THR A 44 14.008 0.886 8.435 1.00 0.00 C ATOM 0 H THR A 44 11.244 3.439 6.910 1.00 0.00 H new ATOM 0 HA THR A 44 12.938 1.138 6.142 1.00 0.00 H new ATOM 0 HB THR A 44 12.010 1.465 8.892 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.566 3.207 9.275 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.393 1.075 9.437 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.730 -0.164 8.346 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.777 1.121 7.700 1.00 0.00 H new ATOM 704 N ALA A 45 11.149 -0.551 6.203 1.00 0.00 N ATOM 705 CA ALA A 45 10.098 -1.563 6.157 1.00 0.00 C ATOM 706 C ALA A 45 10.063 -2.446 7.398 1.00 0.00 C ATOM 707 O ALA A 45 11.079 -3.005 7.815 1.00 0.00 O ATOM 708 CB ALA A 45 10.258 -2.432 4.915 1.00 0.00 C ATOM 0 H ALA A 45 11.988 -0.794 5.677 1.00 0.00 H new ATOM 0 HA ALA A 45 9.151 -1.024 6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.468 -3.183 4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.192 -1.808 4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.229 -2.927 4.940 1.00 0.00 H new ATOM 714 N ASN A 46 8.864 -2.598 7.950 1.00 0.00 N ATOM 715 CA ASN A 46 8.646 -3.451 9.114 1.00 0.00 C ATOM 716 C ASN A 46 8.010 -4.762 8.646 1.00 0.00 C ATOM 717 O ASN A 46 6.980 -4.742 7.974 1.00 0.00 O ATOM 718 CB ASN A 46 7.738 -2.757 10.131 1.00 0.00 C ATOM 719 CG ASN A 46 8.522 -2.052 11.220 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.454 -2.615 11.794 1.00 0.00 O ATOM 721 ND2 ASN A 46 8.147 -0.812 11.511 1.00 0.00 N ATOM 0 H ASN A 46 8.021 -2.137 7.607 1.00 0.00 H new ATOM 0 HA ASN A 46 9.600 -3.652 9.601 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.106 -2.033 9.616 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.075 -3.494 10.584 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.637 -0.288 12.236 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.369 -0.384 11.010 1.00 0.00 H new ATOM 728 N ARG A 47 8.632 -5.898 8.958 1.00 0.00 N ATOM 729 CA ARG A 47 8.114 -7.186 8.507 1.00 0.00 C ATOM 730 C ARG A 47 7.096 -7.793 9.476 1.00 0.00 C ATOM 731 O ARG A 47 7.288 -7.785 10.692 1.00 0.00 O ATOM 732 CB ARG A 47 9.276 -8.153 8.280 1.00 0.00 C ATOM 733 CG ARG A 47 9.680 -8.262 6.818 1.00 0.00 C ATOM 734 CD ARG A 47 9.418 -9.653 6.268 1.00 0.00 C ATOM 735 NE ARG A 47 8.091 -10.148 6.626 1.00 0.00 N ATOM 736 CZ ARG A 47 7.677 -11.393 6.399 1.00 0.00 C ATOM 737 NH1 ARG A 47 8.489 -12.274 5.827 1.00 0.00 N ATOM 738 NH2 ARG A 47 6.451 -11.758 6.744 1.00 0.00 N ATOM 0 H ARG A 47 9.485 -5.952 9.515 1.00 0.00 H new ATOM 0 HA ARG A 47 7.583 -7.013 7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.135 -7.824 8.865 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.998 -9.140 8.649 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.127 -7.528 6.231 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.738 -8.022 6.713 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.517 -9.637 5.183 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.175 -10.340 6.647 1.00 0.00 H new ATOM 0 HE ARG A 47 7.443 -9.502 7.077 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.434 -11.998 5.560 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.168 -13.227 5.655 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.823 -11.085 7.184 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.135 -12.712 6.570 1.00 0.00 H new ATOM 752 N TRP A 48 6.017 -8.341 8.907 1.00 0.00 N ATOM 753 CA TRP A 48 4.958 -8.985 9.677 1.00 0.00 C ATOM 754 C TRP A 48 4.301 -10.064 8.823 1.00 0.00 C ATOM 755 O TRP A 48 4.242 -9.929 7.601 1.00 0.00 O ATOM 756 CB TRP A 48 3.907 -7.968 10.139 1.00 0.00 C ATOM 757 CG TRP A 48 2.739 -8.598 10.839 1.00 0.00 C ATOM 758 CD1 TRP A 48 1.750 -9.349 10.270 1.00 0.00 C ATOM 759 CD2 TRP A 48 2.443 -8.536 12.237 1.00 0.00 C ATOM 760 NE1 TRP A 48 0.854 -9.757 11.230 1.00 0.00 N ATOM 761 CE2 TRP A 48 1.259 -9.270 12.447 1.00 0.00 C ATOM 762 CE3 TRP A 48 3.064 -7.930 13.334 1.00 0.00 C ATOM 763 CZ2 TRP A 48 0.688 -9.412 13.710 1.00 0.00 C ATOM 764 CZ3 TRP A 48 2.495 -8.073 14.584 1.00 0.00 C ATOM 765 CH2 TRP A 48 1.318 -8.810 14.764 1.00 0.00 C ATOM 0 H TRP A 48 5.857 -8.348 7.900 1.00 0.00 H new ATOM 0 HA TRP A 48 5.400 -9.434 10.567 1.00 0.00 H new ATOM 0 HB2 TRP A 48 4.378 -7.248 10.809 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.546 -7.411 9.275 1.00 0.00 H new ATOM 0 HD1 TRP A 48 1.682 -9.588 9.219 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.025 -10.328 11.065 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.972 -7.360 13.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -0.221 -9.978 13.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.966 -7.608 15.438 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.899 -8.905 15.755 1.00 0.00 H new ATOM 776 N GLY A 49 3.821 -11.134 9.463 1.00 0.00 N ATOM 777 CA GLY A 49 3.182 -12.227 8.735 1.00 0.00 C ATOM 778 C GLY A 49 2.388 -11.754 7.530 1.00 0.00 C ATOM 779 O GLY A 49 1.212 -11.414 7.651 1.00 0.00 O ATOM 0 H GLY A 49 3.863 -11.264 10.474 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.945 -12.932 8.406 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.519 -12.767 9.411 1.00 0.00 H new ATOM 783 N ASP A 50 3.045 -11.716 6.370 1.00 0.00 N ATOM 784 CA ASP A 50 2.423 -11.264 5.123 1.00 0.00 C ATOM 785 C ASP A 50 2.291 -9.740 5.088 1.00 0.00 C ATOM 786 O ASP A 50 2.523 -9.114 4.055 1.00 0.00 O ATOM 787 CB ASP A 50 1.046 -11.907 4.925 1.00 0.00 C ATOM 788 CG ASP A 50 0.388 -11.465 3.634 1.00 0.00 C ATOM 789 OD1 ASP A 50 1.033 -11.577 2.571 1.00 0.00 O ATOM 790 OD2 ASP A 50 -0.771 -11.001 3.686 1.00 0.00 O ATOM 0 H ASP A 50 4.020 -11.997 6.268 1.00 0.00 H new ATOM 0 HA ASP A 50 3.076 -11.576 4.308 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.150 -12.992 4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.402 -11.649 5.766 1.00 0.00 H new ATOM 795 N GLU A 51 1.911 -9.150 6.219 1.00 0.00 N ATOM 796 CA GLU A 51 1.740 -7.706 6.311 1.00 0.00 C ATOM 797 C GLU A 51 3.085 -6.989 6.392 1.00 0.00 C ATOM 798 O GLU A 51 4.021 -7.468 7.031 1.00 0.00 O ATOM 799 CB GLU A 51 0.892 -7.354 7.536 1.00 0.00 C ATOM 800 CG GLU A 51 -0.463 -6.756 7.188 1.00 0.00 C ATOM 801 CD GLU A 51 -0.742 -5.464 7.932 1.00 0.00 C ATOM 802 OE1 GLU A 51 -0.074 -5.211 8.956 1.00 0.00 O ATOM 803 OE2 GLU A 51 -1.631 -4.706 7.490 1.00 0.00 O ATOM 0 H GLU A 51 1.716 -9.653 7.085 1.00 0.00 H new ATOM 0 HA GLU A 51 1.231 -7.372 5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.740 -8.253 8.133 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.442 -6.648 8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.508 -6.569 6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.245 -7.479 7.419 1.00 0.00 H new ATOM 810 N ILE A 52 3.158 -5.829 5.751 1.00 0.00 N ATOM 811 CA ILE A 52 4.371 -5.020 5.752 1.00 0.00 C ATOM 812 C ILE A 52 3.998 -3.542 5.713 1.00 0.00 C ATOM 813 O ILE A 52 3.411 -3.067 4.743 1.00 0.00 O ATOM 814 CB ILE A 52 5.301 -5.386 4.561 1.00 0.00 C ATOM 815 CG1 ILE A 52 6.549 -6.126 5.068 1.00 0.00 C ATOM 816 CG2 ILE A 52 5.711 -4.151 3.764 1.00 0.00 C ATOM 817 CD1 ILE A 52 6.510 -7.636 4.903 1.00 0.00 C ATOM 0 H ILE A 52 2.386 -5.425 5.220 1.00 0.00 H new ATOM 0 HA ILE A 52 4.924 -5.227 6.668 1.00 0.00 H new ATOM 0 HB ILE A 52 4.740 -6.041 3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.421 -5.740 4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.687 -5.894 6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.360 -4.448 2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.821 -3.663 3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.245 -3.458 4.415 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.433 -8.068 5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.661 -8.040 5.455 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.407 -7.884 3.847 1.00 0.00 H new ATOM 829 N TYR A 53 4.323 -2.827 6.781 1.00 0.00 N ATOM 830 CA TYR A 53 3.999 -1.403 6.867 1.00 0.00 C ATOM 831 C TYR A 53 5.225 -0.556 7.181 1.00 0.00 C ATOM 832 O TYR A 53 6.000 -0.868 8.086 1.00 0.00 O ATOM 833 CB TYR A 53 2.916 -1.163 7.929 1.00 0.00 C ATOM 834 CG TYR A 53 3.323 -1.590 9.325 1.00 0.00 C ATOM 835 CD1 TYR A 53 4.105 -0.768 10.129 1.00 0.00 C ATOM 836 CD2 TYR A 53 2.923 -2.820 9.839 1.00 0.00 C ATOM 837 CE1 TYR A 53 4.475 -1.157 11.402 1.00 0.00 C ATOM 838 CE2 TYR A 53 3.290 -3.215 11.111 1.00 0.00 C ATOM 839 CZ TYR A 53 4.067 -2.380 11.888 1.00 0.00 C ATOM 840 OH TYR A 53 4.434 -2.771 13.155 1.00 0.00 O ATOM 0 H TYR A 53 4.807 -3.203 7.596 1.00 0.00 H new ATOM 0 HA TYR A 53 3.625 -1.099 5.889 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.662 -0.103 7.943 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.013 -1.703 7.643 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.429 0.191 9.752 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.316 -3.476 9.234 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.081 -0.505 12.014 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.970 -4.172 11.495 1.00 0.00 H new ATOM 0 HH TYR A 53 4.063 -3.658 13.344 1.00 0.00 H new ATOM 850 N PHE A 54 5.378 0.527 6.430 1.00 0.00 N ATOM 851 CA PHE A 54 6.489 1.448 6.620 1.00 0.00 C ATOM 852 C PHE A 54 5.984 2.885 6.671 1.00 0.00 C ATOM 853 O PHE A 54 5.048 3.246 5.959 1.00 0.00 O ATOM 854 CB PHE A 54 7.523 1.291 5.496 1.00 0.00 C ATOM 855 CG PHE A 54 7.021 1.681 4.128 1.00 0.00 C ATOM 856 CD1 PHE A 54 6.708 3.000 3.830 1.00 0.00 C ATOM 857 CD2 PHE A 54 6.866 0.724 3.135 1.00 0.00 C ATOM 858 CE1 PHE A 54 6.251 3.354 2.576 1.00 0.00 C ATOM 859 CE2 PHE A 54 6.408 1.075 1.878 1.00 0.00 C ATOM 860 CZ PHE A 54 6.100 2.390 1.599 1.00 0.00 C ATOM 0 H PHE A 54 4.741 0.790 5.678 1.00 0.00 H new ATOM 0 HA PHE A 54 6.971 1.210 7.568 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.397 1.897 5.735 1.00 0.00 H new ATOM 0 HB3 PHE A 54 7.854 0.253 5.466 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.823 3.760 4.589 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.106 -0.308 3.346 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.012 4.385 2.359 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.292 0.319 1.115 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.741 2.665 0.618 1.00 0.00 H new ATOM 870 N THR A 55 6.609 3.706 7.507 1.00 0.00 N ATOM 871 CA THR A 55 6.215 5.107 7.627 1.00 0.00 C ATOM 872 C THR A 55 7.047 5.970 6.681 1.00 0.00 C ATOM 873 O THR A 55 8.233 5.709 6.479 1.00 0.00 O ATOM 874 CB THR A 55 6.385 5.589 9.071 1.00 0.00 C ATOM 875 OG1 THR A 55 6.564 4.493 9.949 1.00 0.00 O ATOM 876 CG2 THR A 55 5.205 6.394 9.577 1.00 0.00 C ATOM 0 H THR A 55 7.385 3.430 8.108 1.00 0.00 H new ATOM 0 HA THR A 55 5.164 5.197 7.353 1.00 0.00 H new ATOM 0 HB THR A 55 7.265 6.232 9.058 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.672 4.822 10.866 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.390 6.704 10.605 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.071 7.276 8.951 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.304 5.782 9.540 1.00 0.00 H new ATOM 884 N THR A 56 6.428 6.990 6.089 1.00 0.00 N ATOM 885 CA THR A 56 7.131 7.868 5.158 1.00 0.00 C ATOM 886 C THR A 56 7.134 9.320 5.634 1.00 0.00 C ATOM 887 O THR A 56 7.544 10.219 4.899 1.00 0.00 O ATOM 888 CB THR A 56 6.499 7.778 3.769 1.00 0.00 C ATOM 889 OG1 THR A 56 5.336 6.969 3.795 1.00 0.00 O ATOM 890 CG2 THR A 56 7.433 7.206 2.725 1.00 0.00 C ATOM 0 H THR A 56 5.447 7.227 6.237 1.00 0.00 H new ATOM 0 HA THR A 56 8.167 7.532 5.111 1.00 0.00 H new ATOM 0 HB THR A 56 6.257 8.805 3.496 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.947 6.927 2.897 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.924 7.169 1.762 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.318 7.837 2.643 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.731 6.199 3.016 1.00 0.00 H new ATOM 898 N GLN A 57 6.675 9.541 6.862 1.00 0.00 N ATOM 899 CA GLN A 57 6.625 10.887 7.448 1.00 0.00 C ATOM 900 C GLN A 57 5.401 11.670 6.967 1.00 0.00 C ATOM 901 O GLN A 57 5.136 12.768 7.457 1.00 0.00 O ATOM 902 CB GLN A 57 7.907 11.687 7.141 1.00 0.00 C ATOM 903 CG GLN A 57 9.197 10.891 7.301 1.00 0.00 C ATOM 904 CD GLN A 57 10.415 11.659 6.822 1.00 0.00 C ATOM 905 OE1 GLN A 57 10.372 12.333 5.793 1.00 0.00 O ATOM 906 NE2 GLN A 57 11.509 11.559 7.568 1.00 0.00 N ATOM 0 H GLN A 57 6.329 8.805 7.478 1.00 0.00 H new ATOM 0 HA GLN A 57 6.547 10.752 8.527 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.850 12.063 6.120 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.946 12.555 7.799 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.328 10.625 8.350 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.117 9.958 6.743 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.499 10.989 8.414 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.359 12.053 7.295 1.00 0.00 H new ATOM 915 N VAL A 58 4.647 11.110 6.021 1.00 0.00 N ATOM 916 CA VAL A 58 3.455 11.784 5.519 1.00 0.00 C ATOM 917 C VAL A 58 2.267 11.505 6.433 1.00 0.00 C ATOM 918 O VAL A 58 1.834 10.361 6.574 1.00 0.00 O ATOM 919 CB VAL A 58 3.114 11.364 4.070 1.00 0.00 C ATOM 920 CG1 VAL A 58 2.829 9.871 3.976 1.00 0.00 C ATOM 921 CG2 VAL A 58 1.933 12.168 3.547 1.00 0.00 C ATOM 0 H VAL A 58 4.838 10.204 5.593 1.00 0.00 H new ATOM 0 HA VAL A 58 3.668 12.853 5.511 1.00 0.00 H new ATOM 0 HB VAL A 58 3.984 11.575 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.593 9.610 2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.707 9.312 4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.983 9.621 4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.706 11.860 2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.064 11.992 4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.181 13.229 3.559 1.00 0.00 H new ATOM 931 N ALA A 59 1.754 12.555 7.069 1.00 0.00 N ATOM 932 CA ALA A 59 0.626 12.414 7.985 1.00 0.00 C ATOM 933 C ALA A 59 -0.668 12.933 7.371 1.00 0.00 C ATOM 934 O ALA A 59 -0.870 14.141 7.247 1.00 0.00 O ATOM 935 CB ALA A 59 0.907 13.125 9.305 1.00 0.00 C ATOM 0 H ALA A 59 2.100 13.509 6.968 1.00 0.00 H new ATOM 0 HA ALA A 59 0.499 11.349 8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.053 13.006 9.971 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.793 12.692 9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.077 14.185 9.118 1.00 0.00 H new ATOM 941 N VAL A 60 -1.544 12.008 6.997 1.00 0.00 N ATOM 942 CA VAL A 60 -2.829 12.360 6.403 1.00 0.00 C ATOM 943 C VAL A 60 -3.942 11.495 6.991 1.00 0.00 C ATOM 944 O VAL A 60 -4.040 10.307 6.686 1.00 0.00 O ATOM 945 CB VAL A 60 -2.798 12.189 4.866 1.00 0.00 C ATOM 946 CG1 VAL A 60 -2.305 10.797 4.486 1.00 0.00 C ATOM 947 CG2 VAL A 60 -4.167 12.462 4.252 1.00 0.00 C ATOM 0 H VAL A 60 -1.387 11.005 7.095 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.025 13.407 6.633 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.099 12.922 4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.292 10.700 3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.298 10.649 4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.972 10.046 4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.113 12.334 3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.896 11.765 4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.472 13.483 4.481 1.00 0.00 H new ATOM 957 N GLU A 61 -4.774 12.091 7.844 1.00 0.00 N ATOM 958 CA GLU A 61 -5.864 11.356 8.475 1.00 0.00 C ATOM 959 C GLU A 61 -7.209 12.034 8.221 1.00 0.00 C ATOM 960 O GLU A 61 -7.343 13.248 8.370 1.00 0.00 O ATOM 961 CB GLU A 61 -5.616 11.228 9.979 1.00 0.00 C ATOM 962 CG GLU A 61 -5.271 9.815 10.420 1.00 0.00 C ATOM 963 CD GLU A 61 -4.954 9.727 11.900 1.00 0.00 C ATOM 964 OE1 GLU A 61 -4.213 10.599 12.402 1.00 0.00 O ATOM 965 OE2 GLU A 61 -5.450 8.787 12.558 1.00 0.00 O ATOM 0 H GLU A 61 -4.714 13.074 8.111 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.897 10.360 8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.804 11.897 10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.505 11.560 10.515 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.106 9.153 10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.415 9.458 9.847 1.00 0.00 H new ATOM 972 N LYS A 62 -8.201 11.235 7.841 1.00 0.00 N ATOM 973 CA LYS A 62 -9.538 11.747 7.571 1.00 0.00 C ATOM 974 C LYS A 62 -10.582 10.650 7.791 1.00 0.00 C ATOM 975 O LYS A 62 -10.239 9.471 7.882 1.00 0.00 O ATOM 976 CB LYS A 62 -9.621 12.276 6.135 1.00 0.00 C ATOM 977 CG LYS A 62 -11.006 12.761 5.731 1.00 0.00 C ATOM 978 CD LYS A 62 -10.955 13.587 4.456 1.00 0.00 C ATOM 979 CE LYS A 62 -12.346 14.000 4.002 1.00 0.00 C ATOM 980 NZ LYS A 62 -12.322 15.265 3.218 1.00 0.00 N ATOM 0 H LYS A 62 -8.103 10.228 7.713 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.743 12.566 8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.913 13.096 6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.310 11.487 5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.665 11.905 5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.433 13.358 6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.347 14.476 4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.470 13.011 3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.781 13.205 3.396 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.990 14.125 4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.290 15.512 2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.931 16.030 3.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.729 15.139 2.373 1.00 0.00 H new ATOM 994 N GLU A 63 -11.851 11.038 7.882 1.00 0.00 N ATOM 995 CA GLU A 63 -12.925 10.072 8.096 1.00 0.00 C ATOM 996 C GLU A 63 -13.669 9.789 6.797 1.00 0.00 C ATOM 997 O GLU A 63 -14.666 10.441 6.486 1.00 0.00 O ATOM 998 CB GLU A 63 -13.907 10.585 9.151 1.00 0.00 C ATOM 999 CG GLU A 63 -13.251 11.386 10.265 1.00 0.00 C ATOM 1000 CD GLU A 63 -13.312 12.880 10.020 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -12.874 13.323 8.938 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -13.799 13.608 10.911 1.00 0.00 O ATOM 0 H GLU A 63 -12.160 12.008 7.812 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.474 9.145 8.450 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.657 11.207 8.663 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.432 9.736 9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.742 11.156 11.211 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.210 11.080 10.363 1.00 0.00 H new ATOM 1009 N GLU A 64 -13.181 8.812 6.044 1.00 0.00 N ATOM 1010 CA GLU A 64 -13.802 8.440 4.776 1.00 0.00 C ATOM 1011 C GLU A 64 -13.199 7.140 4.234 1.00 0.00 C ATOM 1012 O GLU A 64 -12.024 6.854 4.465 1.00 0.00 O ATOM 1013 CB GLU A 64 -13.625 9.572 3.756 1.00 0.00 C ATOM 1014 CG GLU A 64 -12.199 9.716 3.244 1.00 0.00 C ATOM 1015 CD GLU A 64 -12.008 10.958 2.395 1.00 0.00 C ATOM 1016 OE1 GLU A 64 -13.021 11.527 1.935 1.00 0.00 O ATOM 1017 OE2 GLU A 64 -10.843 11.362 2.188 1.00 0.00 O ATOM 0 H GLU A 64 -12.357 8.262 6.288 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.866 8.276 4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.289 9.394 2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -13.935 10.512 4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.514 9.751 4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.937 8.835 2.658 1.00 0.00 H new ATOM 1024 N ASN A 65 -14.002 6.354 3.508 1.00 0.00 N ATOM 1025 CA ASN A 65 -13.528 5.096 2.937 1.00 0.00 C ATOM 1026 C ASN A 65 -13.264 4.059 4.029 1.00 0.00 C ATOM 1027 O ASN A 65 -14.105 3.199 4.291 1.00 0.00 O ATOM 1028 CB ASN A 65 -12.260 5.328 2.105 1.00 0.00 C ATOM 1029 CG ASN A 65 -11.906 4.131 1.245 1.00 0.00 C ATOM 1030 OD1 ASN A 65 -12.605 3.119 1.251 1.00 0.00 O ATOM 1031 ND2 ASN A 65 -10.813 4.243 0.500 1.00 0.00 N ATOM 0 H ASN A 65 -14.978 6.569 3.305 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.310 4.708 2.284 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.402 6.201 1.468 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.427 5.552 2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.523 3.470 -0.099 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.263 5.102 0.527 1.00 0.00 H new ATOM 1038 N SER A 66 -12.093 4.158 4.664 1.00 0.00 N ATOM 1039 CA SER A 66 -11.688 3.246 5.742 1.00 0.00 C ATOM 1040 C SER A 66 -12.393 1.885 5.660 1.00 0.00 C ATOM 1041 O SER A 66 -13.380 1.654 6.361 1.00 0.00 O ATOM 1042 CB SER A 66 -11.974 3.887 7.101 1.00 0.00 C ATOM 1043 OG SER A 66 -10.875 4.665 7.540 1.00 0.00 O ATOM 0 H SER A 66 -11.398 4.872 4.447 1.00 0.00 H new ATOM 0 HA SER A 66 -10.619 3.068 5.625 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.863 4.514 7.031 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.190 3.110 7.835 1.00 0.00 H new ATOM 0 HG SER A 66 -11.084 5.065 8.410 1.00 0.00 H new ATOM 1049 N LYS A 67 -11.882 0.979 4.825 1.00 0.00 N ATOM 1050 CA LYS A 67 -12.483 -0.356 4.700 1.00 0.00 C ATOM 1051 C LYS A 67 -11.681 -1.381 5.499 1.00 0.00 C ATOM 1052 O LYS A 67 -10.500 -1.170 5.779 1.00 0.00 O ATOM 1053 CB LYS A 67 -12.610 -0.804 3.231 1.00 0.00 C ATOM 1054 CG LYS A 67 -11.339 -0.675 2.402 1.00 0.00 C ATOM 1055 CD LYS A 67 -10.387 -1.837 2.649 1.00 0.00 C ATOM 1056 CE LYS A 67 -9.028 -1.585 2.024 1.00 0.00 C ATOM 1057 NZ LYS A 67 -8.060 -2.672 2.337 1.00 0.00 N ATOM 0 H LYS A 67 -11.067 1.138 4.233 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.492 -0.293 5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.933 -1.845 3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.396 -0.217 2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.597 -0.634 1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.840 0.263 2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.272 -1.993 3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.814 -2.752 2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.137 -1.497 0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.634 -0.634 2.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.288 -2.292 2.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.546 -3.431 2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.669 -3.054 1.452 1.00 0.00 H new ATOM 1071 N ASP A 68 -12.327 -2.482 5.880 1.00 0.00 N ATOM 1072 CA ASP A 68 -11.659 -3.522 6.666 1.00 0.00 C ATOM 1073 C ASP A 68 -11.659 -4.881 5.962 1.00 0.00 C ATOM 1074 O ASP A 68 -11.077 -5.840 6.470 1.00 0.00 O ATOM 1075 CB ASP A 68 -12.330 -3.656 8.034 1.00 0.00 C ATOM 1076 CG ASP A 68 -13.841 -3.732 7.934 1.00 0.00 C ATOM 1077 OD1 ASP A 68 -14.354 -4.770 7.466 1.00 0.00 O ATOM 1078 OD2 ASP A 68 -14.513 -2.753 8.323 1.00 0.00 O ATOM 0 H ASP A 68 -13.304 -2.678 5.660 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.620 -3.214 6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.957 -4.551 8.532 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.052 -2.805 8.656 1.00 0.00 H new ATOM 1083 N VAL A 69 -12.305 -4.975 4.801 1.00 0.00 N ATOM 1084 CA VAL A 69 -12.351 -6.240 4.069 1.00 0.00 C ATOM 1085 C VAL A 69 -11.905 -6.064 2.619 1.00 0.00 C ATOM 1086 O VAL A 69 -12.248 -5.073 1.972 1.00 0.00 O ATOM 1087 CB VAL A 69 -13.763 -6.872 4.107 1.00 0.00 C ATOM 1088 CG1 VAL A 69 -14.707 -6.185 3.127 1.00 0.00 C ATOM 1089 CG2 VAL A 69 -13.681 -8.363 3.822 1.00 0.00 C ATOM 0 H VAL A 69 -12.797 -4.203 4.352 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.656 -6.915 4.569 1.00 0.00 H new ATOM 0 HB VAL A 69 -14.170 -6.729 5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -15.690 -6.653 3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -14.794 -5.129 3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -14.313 -6.280 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -14.681 -8.795 3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -13.247 -8.521 2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -13.056 -8.843 4.575 1.00 0.00 H new ATOM 1099 N VAL A 70 -11.146 -7.034 2.114 1.00 0.00 N ATOM 1100 CA VAL A 70 -10.656 -6.983 0.735 1.00 0.00 C ATOM 1101 C VAL A 70 -10.269 -8.368 0.220 1.00 0.00 C ATOM 1102 O VAL A 70 -9.997 -9.279 1.001 1.00 0.00 O ATOM 1103 CB VAL A 70 -9.443 -6.034 0.596 1.00 0.00 C ATOM 1104 CG1 VAL A 70 -9.839 -4.607 0.934 1.00 0.00 C ATOM 1105 CG2 VAL A 70 -8.271 -6.486 1.468 1.00 0.00 C ATOM 0 H VAL A 70 -10.857 -7.862 2.635 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.479 -6.599 0.132 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.115 -6.069 -0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.972 -3.955 0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.625 -4.277 0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.205 -4.564 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.437 -5.795 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.579 -6.499 2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.960 -7.487 1.169 1.00 0.00 H new ATOM 1115 N GLU A 71 -10.252 -8.521 -1.108 1.00 0.00 N ATOM 1116 CA GLU A 71 -9.902 -9.803 -1.728 1.00 0.00 C ATOM 1117 C GLU A 71 -8.420 -9.873 -2.079 1.00 0.00 C ATOM 1118 O GLU A 71 -7.773 -8.860 -2.330 1.00 0.00 O ATOM 1119 CB GLU A 71 -10.745 -10.055 -2.989 1.00 0.00 C ATOM 1120 CG GLU A 71 -12.169 -9.554 -2.872 1.00 0.00 C ATOM 1121 CD GLU A 71 -12.851 -9.407 -4.219 1.00 0.00 C ATOM 1122 OE1 GLU A 71 -12.480 -8.484 -4.974 1.00 0.00 O ATOM 1123 OE2 GLU A 71 -13.754 -10.217 -4.518 1.00 0.00 O ATOM 0 H GLU A 71 -10.475 -7.778 -1.771 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.118 -10.580 -0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.266 -9.570 -3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.760 -11.125 -3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.743 -10.243 -2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.170 -8.591 -2.362 1.00 0.00 H new ATOM 1130 N LEU A 72 -7.898 -11.091 -2.087 1.00 0.00 N ATOM 1131 CA LEU A 72 -6.486 -11.340 -2.400 1.00 0.00 C ATOM 1132 C LEU A 72 -6.041 -10.595 -3.661 1.00 0.00 C ATOM 1133 O LEU A 72 -6.646 -10.745 -4.722 1.00 0.00 O ATOM 1134 CB LEU A 72 -6.259 -12.848 -2.599 1.00 0.00 C ATOM 1135 CG LEU A 72 -4.829 -13.277 -2.955 1.00 0.00 C ATOM 1136 CD1 LEU A 72 -4.082 -13.731 -1.711 1.00 0.00 C ATOM 1137 CD2 LEU A 72 -4.854 -14.391 -3.992 1.00 0.00 C ATOM 0 H LEU A 72 -8.432 -11.935 -1.879 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.893 -10.973 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.553 -13.362 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.927 -13.194 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.307 -12.418 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.070 -14.031 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.037 -12.911 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.603 -14.577 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.833 -14.685 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.393 -15.249 -3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.354 -14.037 -4.894 1.00 0.00 H new ATOM 1149 N GLY A 73 -4.961 -9.815 -3.550 1.00 0.00 N ATOM 1150 CA GLY A 73 -4.453 -9.098 -4.714 1.00 0.00 C ATOM 1151 C GLY A 73 -4.558 -7.582 -4.621 1.00 0.00 C ATOM 1152 O GLY A 73 -3.758 -6.871 -5.229 1.00 0.00 O ATOM 0 H GLY A 73 -4.436 -9.669 -2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.408 -9.368 -4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.997 -9.433 -5.597 1.00 0.00 H new ATOM 1156 N ASP A 74 -5.544 -7.076 -3.887 1.00 0.00 N ATOM 1157 CA ASP A 74 -5.725 -5.631 -3.767 1.00 0.00 C ATOM 1158 C ASP A 74 -4.768 -5.018 -2.749 1.00 0.00 C ATOM 1159 O ASP A 74 -4.287 -5.695 -1.840 1.00 0.00 O ATOM 1160 CB ASP A 74 -7.172 -5.288 -3.400 1.00 0.00 C ATOM 1161 CG ASP A 74 -7.744 -6.207 -2.346 1.00 0.00 C ATOM 1162 OD1 ASP A 74 -7.052 -6.462 -1.339 1.00 0.00 O ATOM 1163 OD2 ASP A 74 -8.889 -6.677 -2.527 1.00 0.00 O ATOM 0 H ASP A 74 -6.223 -7.636 -3.372 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.496 -5.201 -4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.217 -4.260 -3.041 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.791 -5.341 -4.296 1.00 0.00 H new ATOM 1168 N VAL A 75 -4.505 -3.725 -2.917 1.00 0.00 N ATOM 1169 CA VAL A 75 -3.607 -2.986 -2.019 1.00 0.00 C ATOM 1170 C VAL A 75 -4.391 -1.924 -1.239 1.00 0.00 C ATOM 1171 O VAL A 75 -5.410 -1.433 -1.727 1.00 0.00 O ATOM 1172 CB VAL A 75 -2.466 -2.293 -2.810 1.00 0.00 C ATOM 1173 CG1 VAL A 75 -1.431 -1.679 -1.877 1.00 0.00 C ATOM 1174 CG2 VAL A 75 -1.805 -3.275 -3.763 1.00 0.00 C ATOM 0 H VAL A 75 -4.901 -3.161 -3.669 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.169 -3.705 -1.327 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.911 -1.485 -3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.647 -1.203 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.910 -0.935 -1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.993 -2.460 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.007 -2.771 -4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.387 -4.107 -3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.546 -3.652 -4.468 1.00 0.00 H new ATOM 1184 N ALA A 76 -3.936 -1.558 -0.031 1.00 0.00 N ATOM 1185 CA ALA A 76 -4.645 -0.554 0.754 1.00 0.00 C ATOM 1186 C ALA A 76 -3.712 0.206 1.696 1.00 0.00 C ATOM 1187 O ALA A 76 -2.765 -0.365 2.238 1.00 0.00 O ATOM 1188 CB ALA A 76 -5.777 -1.198 1.545 1.00 0.00 C ATOM 0 H ALA A 76 -3.098 -1.937 0.410 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.061 0.168 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.296 -0.435 2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.479 -1.670 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.368 -1.950 2.219 1.00 0.00 H new ATOM 1194 N TYR A 77 -3.998 1.494 1.900 1.00 0.00 N ATOM 1195 CA TYR A 77 -3.192 2.322 2.793 1.00 0.00 C ATOM 1196 C TYR A 77 -3.842 2.395 4.173 1.00 0.00 C ATOM 1197 O TYR A 77 -5.058 2.552 4.286 1.00 0.00 O ATOM 1198 CB TYR A 77 -3.015 3.733 2.204 1.00 0.00 C ATOM 1199 CG TYR A 77 -3.250 4.862 3.188 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -2.220 5.327 3.996 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -4.496 5.466 3.303 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -2.424 6.356 4.891 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -4.706 6.497 4.199 1.00 0.00 C ATOM 1204 CZ TYR A 77 -3.668 6.939 4.990 1.00 0.00 C ATOM 1205 OH TYR A 77 -3.876 7.966 5.880 1.00 0.00 O ATOM 0 H TYR A 77 -4.778 1.982 1.460 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.207 1.868 2.896 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.005 3.821 1.804 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.701 3.851 1.365 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.242 4.875 3.922 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.312 5.125 2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.612 6.703 5.512 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.681 6.955 4.279 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.462 8.638 5.473 1.00 0.00 H new ATOM 1215 N TRP A 78 -3.029 2.283 5.218 1.00 0.00 N ATOM 1216 CA TRP A 78 -3.542 2.341 6.583 1.00 0.00 C ATOM 1217 C TRP A 78 -3.793 3.790 7.003 1.00 0.00 C ATOM 1218 O TRP A 78 -2.882 4.620 6.972 1.00 0.00 O ATOM 1219 CB TRP A 78 -2.565 1.664 7.547 1.00 0.00 C ATOM 1220 CG TRP A 78 -3.232 1.052 8.739 1.00 0.00 C ATOM 1221 CD1 TRP A 78 -4.276 1.573 9.446 1.00 0.00 C ATOM 1222 CD2 TRP A 78 -2.902 -0.192 9.367 1.00 0.00 C ATOM 1223 NE1 TRP A 78 -4.619 0.729 10.473 1.00 0.00 N ATOM 1224 CE2 TRP A 78 -3.789 -0.362 10.446 1.00 0.00 C ATOM 1225 CE3 TRP A 78 -1.943 -1.178 9.119 1.00 0.00 C ATOM 1226 CZ2 TRP A 78 -3.744 -1.479 11.278 1.00 0.00 C ATOM 1227 CZ3 TRP A 78 -1.901 -2.286 9.944 1.00 0.00 C ATOM 1228 CH2 TRP A 78 -2.796 -2.429 11.012 1.00 0.00 C ATOM 0 H TRP A 78 -2.020 2.153 5.148 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.491 1.806 6.618 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.015 0.890 7.011 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -1.834 2.398 7.886 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -4.762 2.513 9.229 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -5.369 0.888 11.146 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.248 -1.076 8.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -4.432 -1.591 12.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -1.165 -3.055 9.762 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -2.737 -3.307 11.638 1.00 0.00 H new ATOM 1239 N ILE A 79 -5.035 4.097 7.380 1.00 0.00 N ATOM 1240 CA ILE A 79 -5.402 5.451 7.785 1.00 0.00 C ATOM 1241 C ILE A 79 -4.833 5.806 9.167 1.00 0.00 C ATOM 1242 O ILE A 79 -3.932 6.638 9.267 1.00 0.00 O ATOM 1243 CB ILE A 79 -6.942 5.641 7.761 1.00 0.00 C ATOM 1244 CG1 ILE A 79 -7.423 5.811 6.311 1.00 0.00 C ATOM 1245 CG2 ILE A 79 -7.370 6.825 8.625 1.00 0.00 C ATOM 1246 CD1 ILE A 79 -8.261 7.053 6.066 1.00 0.00 C ATOM 0 H ILE A 79 -5.802 3.425 7.413 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.960 6.136 7.061 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.408 4.750 8.183 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.553 5.840 5.654 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.006 4.934 6.030 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.454 6.931 8.586 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.058 6.655 9.656 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.903 7.736 8.251 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.556 7.092 5.017 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.152 7.020 6.693 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.677 7.940 6.311 1.00 0.00 H new ATOM 1258 N PRO A 80 -5.354 5.193 10.254 1.00 0.00 N ATOM 1259 CA PRO A 80 -4.896 5.459 11.621 1.00 0.00 C ATOM 1260 C PRO A 80 -3.404 5.787 11.721 1.00 0.00 C ATOM 1261 O PRO A 80 -3.031 6.884 12.136 1.00 0.00 O ATOM 1262 CB PRO A 80 -5.200 4.143 12.328 1.00 0.00 C ATOM 1263 CG PRO A 80 -6.412 3.602 11.638 1.00 0.00 C ATOM 1264 CD PRO A 80 -6.443 4.200 10.248 1.00 0.00 C ATOM 0 HA PRO A 80 -5.384 6.335 12.047 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.361 3.451 12.252 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.388 4.300 13.390 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.372 2.514 11.587 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.316 3.862 12.189 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.283 3.439 9.484 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.405 4.666 10.037 1.00 0.00 H new ATOM 1272 N GLY A 81 -2.557 4.831 11.352 1.00 0.00 N ATOM 1273 CA GLY A 81 -1.120 5.044 11.424 1.00 0.00 C ATOM 1274 C GLY A 81 -0.559 5.767 10.211 1.00 0.00 C ATOM 1275 O GLY A 81 0.641 6.035 10.148 1.00 0.00 O ATOM 0 H GLY A 81 -2.838 3.914 11.005 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.889 5.620 12.320 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.621 4.080 11.527 1.00 0.00 H new ATOM 1279 N LYS A 82 -1.418 6.081 9.245 1.00 0.00 N ATOM 1280 CA LYS A 82 -0.976 6.775 8.028 1.00 0.00 C ATOM 1281 C LYS A 82 0.161 6.006 7.357 1.00 0.00 C ATOM 1282 O LYS A 82 1.001 6.588 6.670 1.00 0.00 O ATOM 1283 CB LYS A 82 -0.504 8.200 8.353 1.00 0.00 C ATOM 1284 CG LYS A 82 -1.202 8.843 9.548 1.00 0.00 C ATOM 1285 CD LYS A 82 -0.256 9.003 10.728 1.00 0.00 C ATOM 1286 CE LYS A 82 -0.915 9.759 11.871 1.00 0.00 C ATOM 1287 NZ LYS A 82 0.041 10.675 12.554 1.00 0.00 N ATOM 0 H LYS A 82 -2.416 5.871 9.275 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.826 6.829 7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.569 8.179 8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.659 8.829 7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.594 9.819 9.260 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.055 8.232 9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.063 8.021 11.076 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.640 9.534 10.408 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.758 10.334 11.488 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.316 9.048 12.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.446 11.172 13.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.833 10.124 12.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.404 11.370 11.871 1.00 0.00 H new ATOM 1301 N ALA A 83 0.186 4.696 7.578 1.00 0.00 N ATOM 1302 CA ALA A 83 1.221 3.832 7.022 1.00 0.00 C ATOM 1303 C ALA A 83 0.669 2.931 5.913 1.00 0.00 C ATOM 1304 O ALA A 83 -0.419 2.372 6.042 1.00 0.00 O ATOM 1305 CB ALA A 83 1.826 2.995 8.141 1.00 0.00 C ATOM 0 H ALA A 83 -0.506 4.206 8.144 1.00 0.00 H new ATOM 0 HA ALA A 83 1.992 4.457 6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.601 2.346 7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.263 3.653 8.892 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.048 2.385 8.601 1.00 0.00 H new ATOM 1311 N ILE A 84 1.432 2.785 4.827 1.00 0.00 N ATOM 1312 CA ILE A 84 1.015 1.939 3.705 1.00 0.00 C ATOM 1313 C ILE A 84 1.349 0.474 3.983 1.00 0.00 C ATOM 1314 O ILE A 84 2.331 0.178 4.662 1.00 0.00 O ATOM 1315 CB ILE A 84 1.694 2.339 2.375 1.00 0.00 C ATOM 1316 CG1 ILE A 84 1.994 3.844 2.325 1.00 0.00 C ATOM 1317 CG2 ILE A 84 0.823 1.928 1.197 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.528 4.314 0.984 1.00 0.00 C ATOM 0 H ILE A 84 2.337 3.239 4.700 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.061 2.079 3.606 1.00 0.00 H new ATOM 0 HB ILE A 84 2.646 1.812 2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.083 4.395 2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.720 4.087 3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.311 2.215 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.676 0.848 1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.144 2.426 1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.717 5.387 1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.457 3.790 0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.794 4.103 0.206 1.00 0.00 H new ATOM 1330 N CYS A 85 0.533 -0.440 3.459 1.00 0.00 N ATOM 1331 CA CYS A 85 0.766 -1.867 3.669 1.00 0.00 C ATOM 1332 C CYS A 85 0.417 -2.705 2.436 1.00 0.00 C ATOM 1333 O CYS A 85 -0.407 -2.314 1.610 1.00 0.00 O ATOM 1334 CB CYS A 85 -0.031 -2.355 4.881 1.00 0.00 C ATOM 1335 SG CYS A 85 0.068 -4.138 5.175 1.00 0.00 S ATOM 0 H CYS A 85 -0.286 -0.221 2.892 1.00 0.00 H new ATOM 0 HA CYS A 85 1.832 -1.997 3.853 1.00 0.00 H new ATOM 0 HB2 CYS A 85 0.326 -1.833 5.769 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.077 -2.079 4.747 1.00 0.00 H new ATOM 0 HG CYS A 85 -0.994 -4.532 5.813 1.00 0.00 H new ATOM 1341 N LEU A 86 1.053 -3.874 2.344 1.00 0.00 N ATOM 1342 CA LEU A 86 0.830 -4.813 1.240 1.00 0.00 C ATOM 1343 C LEU A 86 0.026 -6.016 1.732 1.00 0.00 C ATOM 1344 O LEU A 86 0.000 -6.299 2.931 1.00 0.00 O ATOM 1345 CB LEU A 86 2.175 -5.292 0.670 1.00 0.00 C ATOM 1346 CG LEU A 86 2.453 -4.913 -0.790 1.00 0.00 C ATOM 1347 CD1 LEU A 86 3.870 -4.386 -0.946 1.00 0.00 C ATOM 1348 CD2 LEU A 86 2.242 -6.112 -1.704 1.00 0.00 C ATOM 0 H LEU A 86 1.735 -4.197 3.030 1.00 0.00 H new ATOM 0 HA LEU A 86 0.272 -4.302 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.976 -4.888 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.220 -6.377 0.759 1.00 0.00 H new ATOM 0 HG LEU A 86 1.753 -4.127 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.048 -4.123 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.000 -3.502 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.580 -5.155 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.444 -5.823 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.919 -6.915 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.212 -6.457 -1.619 1.00 0.00 H new ATOM 1360 N PHE A 87 -0.624 -6.725 0.815 1.00 0.00 N ATOM 1361 CA PHE A 87 -1.416 -7.895 1.187 1.00 0.00 C ATOM 1362 C PHE A 87 -1.189 -9.055 0.229 1.00 0.00 C ATOM 1363 O PHE A 87 -1.536 -8.978 -0.950 1.00 0.00 O ATOM 1364 CB PHE A 87 -2.900 -7.540 1.225 1.00 0.00 C ATOM 1365 CG PHE A 87 -3.185 -6.290 1.997 1.00 0.00 C ATOM 1366 CD1 PHE A 87 -3.033 -6.263 3.373 1.00 0.00 C ATOM 1367 CD2 PHE A 87 -3.592 -5.141 1.346 1.00 0.00 C ATOM 1368 CE1 PHE A 87 -3.285 -5.110 4.089 1.00 0.00 C ATOM 1369 CE2 PHE A 87 -3.844 -3.984 2.057 1.00 0.00 C ATOM 1370 CZ PHE A 87 -3.691 -3.966 3.429 1.00 0.00 C ATOM 0 H PHE A 87 -0.620 -6.514 -0.183 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.092 -8.208 2.179 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.265 -7.421 0.205 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.454 -8.368 1.668 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.714 -7.154 3.892 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.714 -5.148 0.273 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.165 -5.102 5.162 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.161 -3.091 1.539 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.888 -3.061 3.984 1.00 0.00 H new ATOM 1380 N PHE A 88 -0.621 -10.137 0.747 1.00 0.00 N ATOM 1381 CA PHE A 88 -0.367 -11.319 -0.060 1.00 0.00 C ATOM 1382 C PHE A 88 -0.684 -12.588 0.725 1.00 0.00 C ATOM 1383 O PHE A 88 -0.134 -13.655 0.450 1.00 0.00 O ATOM 1384 CB PHE A 88 1.089 -11.337 -0.532 1.00 0.00 C ATOM 1385 CG PHE A 88 1.240 -11.114 -2.009 1.00 0.00 C ATOM 1386 CD1 PHE A 88 1.079 -9.849 -2.552 1.00 0.00 C ATOM 1387 CD2 PHE A 88 1.541 -12.169 -2.856 1.00 0.00 C ATOM 1388 CE1 PHE A 88 1.215 -9.640 -3.910 1.00 0.00 C ATOM 1389 CE2 PHE A 88 1.679 -11.965 -4.216 1.00 0.00 C ATOM 1390 CZ PHE A 88 1.515 -10.700 -4.744 1.00 0.00 C ATOM 0 H PHE A 88 -0.329 -10.218 1.721 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.019 -11.284 -0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.646 -10.568 0.003 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.537 -12.296 -0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.844 -9.017 -1.905 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.669 -13.161 -2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.087 -8.649 -4.320 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.915 -12.795 -4.865 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.621 -10.539 -5.807 1.00 0.00 H new ATOM 1400 N GLY A 89 -1.578 -12.466 1.708 1.00 0.00 N ATOM 1401 CA GLY A 89 -1.950 -13.613 2.514 1.00 0.00 C ATOM 1402 C GLY A 89 -2.408 -13.234 3.913 1.00 0.00 C ATOM 1403 O GLY A 89 -2.919 -12.135 4.131 1.00 0.00 O ATOM 0 H GLY A 89 -2.048 -11.595 1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.749 -14.159 2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.099 -14.290 2.587 1.00 0.00 H new ATOM 1407 N LYS A 90 -2.245 -14.167 4.853 1.00 0.00 N ATOM 1408 CA LYS A 90 -2.656 -13.969 6.253 1.00 0.00 C ATOM 1409 C LYS A 90 -2.367 -12.552 6.767 1.00 0.00 C ATOM 1410 O LYS A 90 -1.698 -11.760 6.108 1.00 0.00 O ATOM 1411 CB LYS A 90 -1.967 -14.982 7.180 1.00 0.00 C ATOM 1412 CG LYS A 90 -0.444 -14.975 7.123 1.00 0.00 C ATOM 1413 CD LYS A 90 0.076 -15.622 5.850 1.00 0.00 C ATOM 1414 CE LYS A 90 1.242 -16.549 6.140 1.00 0.00 C ATOM 1415 NZ LYS A 90 2.173 -16.653 4.983 1.00 0.00 N ATOM 0 H LYS A 90 -1.827 -15.079 4.671 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.735 -14.121 6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.278 -14.783 8.206 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.320 -15.982 6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.083 -13.948 7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.045 -15.504 7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.726 -16.182 5.370 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.389 -14.849 5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.786 -16.185 7.012 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.864 -17.540 6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.955 -17.295 5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.661 -17.024 4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.555 -15.712 4.759 1.00 0.00 H new ATOM 1429 N THR A 91 -2.876 -12.252 7.968 1.00 0.00 N ATOM 1430 CA THR A 91 -2.682 -10.955 8.597 1.00 0.00 C ATOM 1431 C THR A 91 -2.765 -11.128 10.111 1.00 0.00 C ATOM 1432 O THR A 91 -3.020 -12.235 10.586 1.00 0.00 O ATOM 1433 CB THR A 91 -3.749 -9.970 8.106 1.00 0.00 C ATOM 1434 OG1 THR A 91 -4.769 -10.649 7.394 1.00 0.00 O ATOM 1435 CG2 THR A 91 -3.195 -8.896 7.195 1.00 0.00 C ATOM 0 H THR A 91 -3.431 -12.904 8.523 1.00 0.00 H new ATOM 0 HA THR A 91 -1.704 -10.554 8.332 1.00 0.00 H new ATOM 0 HB THR A 91 -4.142 -9.497 9.006 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.193 -11.310 7.980 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.001 -8.232 6.883 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.438 -8.322 7.728 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.747 -9.360 6.316 1.00 0.00 H new ATOM 1443 N PRO A 92 -2.552 -10.058 10.904 1.00 0.00 N ATOM 1444 CA PRO A 92 -2.613 -10.135 12.364 1.00 0.00 C ATOM 1445 C PRO A 92 -3.739 -11.043 12.861 1.00 0.00 C ATOM 1446 O PRO A 92 -3.644 -11.624 13.943 1.00 0.00 O ATOM 1447 CB PRO A 92 -2.857 -8.679 12.798 1.00 0.00 C ATOM 1448 CG PRO A 92 -2.866 -7.858 11.543 1.00 0.00 C ATOM 1449 CD PRO A 92 -2.232 -8.697 10.469 1.00 0.00 C ATOM 0 HA PRO A 92 -1.703 -10.567 12.781 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.804 -8.586 13.330 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.075 -8.340 13.478 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.884 -7.584 11.268 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.313 -6.929 11.685 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -2.645 -8.477 9.485 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.156 -8.533 10.407 1.00 0.00 H new ATOM 1457 N ILE A 93 -4.800 -11.167 12.066 1.00 0.00 N ATOM 1458 CA ILE A 93 -5.931 -12.010 12.432 1.00 0.00 C ATOM 1459 C ILE A 93 -6.325 -12.953 11.293 1.00 0.00 C ATOM 1460 O ILE A 93 -7.490 -13.007 10.897 1.00 0.00 O ATOM 1461 CB ILE A 93 -7.155 -11.161 12.828 1.00 0.00 C ATOM 1462 CG1 ILE A 93 -6.751 -10.074 13.824 1.00 0.00 C ATOM 1463 CG2 ILE A 93 -8.246 -12.046 13.413 1.00 0.00 C ATOM 1464 CD1 ILE A 93 -6.432 -8.746 13.172 1.00 0.00 C ATOM 0 H ILE A 93 -4.898 -10.695 11.167 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.612 -12.605 13.288 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.547 -10.677 11.933 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.558 -9.932 14.542 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.880 -10.412 14.386 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.104 -11.432 13.688 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -8.551 -12.785 12.672 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -7.866 -12.555 14.298 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.153 -8.022 13.938 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.604 -8.873 12.474 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.308 -8.385 12.634 1.00 0.00 H new ATOM 1476 N SER A 94 -5.353 -13.704 10.771 1.00 0.00 N ATOM 1477 CA SER A 94 -5.618 -14.646 9.686 1.00 0.00 C ATOM 1478 C SER A 94 -6.727 -15.623 10.079 1.00 0.00 C ATOM 1479 O SER A 94 -7.876 -15.481 9.658 1.00 0.00 O ATOM 1480 CB SER A 94 -4.351 -15.423 9.326 1.00 0.00 C ATOM 1481 OG SER A 94 -3.260 -15.043 10.147 1.00 0.00 O ATOM 0 H SER A 94 -4.382 -13.678 11.081 1.00 0.00 H new ATOM 0 HA SER A 94 -5.942 -14.074 8.816 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.535 -16.492 9.434 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.100 -15.247 8.280 1.00 0.00 H new ATOM 0 HG SER A 94 -2.577 -15.745 10.129 1.00 0.00 H new ATOM 1533 N ILE A 98 -9.020 -12.970 6.123 1.00 0.00 N ATOM 1534 CA ILE A 98 -7.964 -11.971 6.063 1.00 0.00 C ATOM 1535 C ILE A 98 -8.443 -10.626 6.596 1.00 0.00 C ATOM 1536 O ILE A 98 -9.340 -10.002 6.028 1.00 0.00 O ATOM 1537 CB ILE A 98 -7.444 -11.791 4.620 1.00 0.00 C ATOM 1538 CG1 ILE A 98 -6.739 -13.060 4.145 1.00 0.00 C ATOM 1539 CG2 ILE A 98 -6.501 -10.600 4.521 1.00 0.00 C ATOM 1540 CD1 ILE A 98 -6.363 -13.010 2.682 1.00 0.00 C ATOM 0 HA ILE A 98 -7.150 -12.332 6.692 1.00 0.00 H new ATOM 0 HB ILE A 98 -8.303 -11.601 3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.840 -13.215 4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.389 -13.918 4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.151 -10.498 3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.028 -9.693 4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.648 -10.755 5.181 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.866 -13.939 2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.262 -12.884 2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.689 -12.171 2.508 1.00 0.00 H new ATOM 1552 N ARG A 99 -7.823 -10.178 7.680 1.00 0.00 N ATOM 1553 CA ARG A 99 -8.169 -8.898 8.284 1.00 0.00 C ATOM 1554 C ARG A 99 -6.942 -7.991 8.324 1.00 0.00 C ATOM 1555 O ARG A 99 -6.091 -8.127 9.204 1.00 0.00 O ATOM 1556 CB ARG A 99 -8.715 -9.107 9.699 1.00 0.00 C ATOM 1557 CG ARG A 99 -9.799 -8.114 10.086 1.00 0.00 C ATOM 1558 CD ARG A 99 -10.646 -8.636 11.234 1.00 0.00 C ATOM 1559 NE ARG A 99 -11.676 -7.679 11.634 1.00 0.00 N ATOM 1560 CZ ARG A 99 -11.427 -6.558 12.307 1.00 0.00 C ATOM 1561 NH1 ARG A 99 -10.185 -6.250 12.661 1.00 0.00 N ATOM 1562 NH2 ARG A 99 -12.422 -5.744 12.629 1.00 0.00 N ATOM 0 H ARG A 99 -7.077 -10.683 8.159 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.942 -8.423 7.679 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.115 -10.118 9.780 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.893 -9.031 10.411 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.341 -7.167 10.371 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.436 -7.914 9.224 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.117 -9.574 10.940 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.004 -8.856 12.087 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.643 -7.882 11.382 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.416 -6.874 12.417 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.000 -5.390 13.177 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.378 -5.977 12.361 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.232 -4.885 13.145 1.00 0.00 H new ATOM 1576 N PRO A 100 -6.828 -7.056 7.365 1.00 0.00 N ATOM 1577 CA PRO A 100 -5.688 -6.134 7.295 1.00 0.00 C ATOM 1578 C PRO A 100 -5.703 -5.098 8.414 1.00 0.00 C ATOM 1579 O PRO A 100 -4.651 -4.652 8.871 1.00 0.00 O ATOM 1580 CB PRO A 100 -5.870 -5.458 5.934 1.00 0.00 C ATOM 1581 CG PRO A 100 -7.337 -5.515 5.691 1.00 0.00 C ATOM 1582 CD PRO A 100 -7.788 -6.827 6.267 1.00 0.00 C ATOM 0 HA PRO A 100 -4.736 -6.652 7.408 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.508 -4.430 5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.316 -5.979 5.153 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -7.847 -4.680 6.171 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -7.561 -5.456 4.626 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -8.814 -6.776 6.632 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.752 -7.626 5.527 1.00 0.00 H new ATOM 1590 N ALA A 101 -6.901 -4.715 8.849 1.00 0.00 N ATOM 1591 CA ALA A 101 -7.045 -3.726 9.914 1.00 0.00 C ATOM 1592 C ALA A 101 -8.516 -3.496 10.249 1.00 0.00 C ATOM 1593 O ALA A 101 -9.370 -4.323 9.929 1.00 0.00 O ATOM 1594 CB ALA A 101 -6.386 -2.416 9.504 1.00 0.00 C ATOM 0 H ALA A 101 -7.783 -5.073 8.482 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.550 -4.108 10.806 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.499 -1.685 10.305 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.326 -2.586 9.315 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.860 -2.038 8.598 1.00 0.00 H new ATOM 1600 N SER A 102 -8.807 -2.370 10.893 1.00 0.00 N ATOM 1601 CA SER A 102 -10.176 -2.037 11.269 1.00 0.00 C ATOM 1602 C SER A 102 -10.691 -0.830 10.487 1.00 0.00 C ATOM 1603 O SER A 102 -11.865 -0.473 10.594 1.00 0.00 O ATOM 1604 CB SER A 102 -10.262 -1.760 12.773 1.00 0.00 C ATOM 1605 OG SER A 102 -8.988 -1.861 13.388 1.00 0.00 O ATOM 0 H SER A 102 -8.113 -1.673 11.165 1.00 0.00 H new ATOM 0 HA SER A 102 -10.805 -2.893 11.024 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.670 -0.763 12.939 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.949 -2.467 13.237 1.00 0.00 H new ATOM 0 HG SER A 102 -9.072 -1.678 14.347 1.00 0.00 H new ATOM 1611 N ALA A 103 -9.818 -0.193 9.707 1.00 0.00 N ATOM 1612 CA ALA A 103 -10.219 0.974 8.928 1.00 0.00 C ATOM 1613 C ALA A 103 -9.128 1.423 7.957 1.00 0.00 C ATOM 1614 O ALA A 103 -8.531 2.486 8.132 1.00 0.00 O ATOM 1615 CB ALA A 103 -10.589 2.116 9.863 1.00 0.00 C ATOM 0 H ALA A 103 -8.840 -0.463 9.599 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.086 0.690 8.332 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.888 2.985 9.276 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.416 1.809 10.503 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.729 2.374 10.481 1.00 0.00 H new ATOM 1621 N VAL A 104 -8.875 0.619 6.925 1.00 0.00 N ATOM 1622 CA VAL A 104 -7.856 0.971 5.928 1.00 0.00 C ATOM 1623 C VAL A 104 -8.467 1.187 4.545 1.00 0.00 C ATOM 1624 O VAL A 104 -9.403 0.496 4.151 1.00 0.00 O ATOM 1625 CB VAL A 104 -6.717 -0.079 5.860 1.00 0.00 C ATOM 1626 CG1 VAL A 104 -6.144 -0.325 7.246 1.00 0.00 C ATOM 1627 CG2 VAL A 104 -7.197 -1.388 5.248 1.00 0.00 C ATOM 0 H VAL A 104 -9.351 -0.267 6.756 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.419 1.914 6.257 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.934 0.322 5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.345 -1.064 7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.745 0.607 7.646 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.930 -0.695 7.904 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.372 -2.099 5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.006 -1.797 5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.557 -1.206 4.236 1.00 0.00 H new ATOM 1637 N ASN A 105 -7.935 2.183 3.829 1.00 0.00 N ATOM 1638 CA ASN A 105 -8.426 2.546 2.497 1.00 0.00 C ATOM 1639 C ASN A 105 -7.848 1.663 1.399 1.00 0.00 C ATOM 1640 O ASN A 105 -6.718 1.192 1.500 1.00 0.00 O ATOM 1641 CB ASN A 105 -8.060 4.001 2.189 1.00 0.00 C ATOM 1642 CG ASN A 105 -8.284 4.928 3.366 1.00 0.00 C ATOM 1643 OD1 ASN A 105 -7.530 5.876 3.576 1.00 0.00 O ATOM 1644 ND2 ASN A 105 -9.328 4.656 4.142 1.00 0.00 N ATOM 0 H ASN A 105 -7.157 2.757 4.154 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.507 2.407 2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.014 4.051 1.888 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.652 4.348 1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -9.530 5.245 4.950 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.927 3.858 3.930 1.00 0.00 H new ATOM 1651 N VAL A 106 -8.618 1.489 0.323 1.00 0.00 N ATOM 1652 CA VAL A 106 -8.169 0.707 -0.826 1.00 0.00 C ATOM 1653 C VAL A 106 -7.331 1.593 -1.738 1.00 0.00 C ATOM 1654 O VAL A 106 -7.843 2.206 -2.675 1.00 0.00 O ATOM 1655 CB VAL A 106 -9.333 0.104 -1.656 1.00 0.00 C ATOM 1656 CG1 VAL A 106 -9.191 -1.408 -1.741 1.00 0.00 C ATOM 1657 CG2 VAL A 106 -10.699 0.492 -1.098 1.00 0.00 C ATOM 0 H VAL A 106 -9.555 1.880 0.225 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.589 -0.126 -0.429 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.271 0.522 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.014 -1.818 -2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.245 -1.658 -2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.212 -1.832 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.482 0.047 -1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -10.790 0.130 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -10.802 1.577 -1.109 1.00 0.00 H new ATOM 1667 N ILE A 107 -6.045 1.668 -1.439 1.00 0.00 N ATOM 1668 CA ILE A 107 -5.114 2.488 -2.198 1.00 0.00 C ATOM 1669 C ILE A 107 -4.817 1.907 -3.590 1.00 0.00 C ATOM 1670 O ILE A 107 -3.850 2.303 -4.238 1.00 0.00 O ATOM 1671 CB ILE A 107 -3.803 2.677 -1.393 1.00 0.00 C ATOM 1672 CG1 ILE A 107 -3.206 4.068 -1.646 1.00 0.00 C ATOM 1673 CG2 ILE A 107 -2.791 1.574 -1.692 1.00 0.00 C ATOM 1674 CD1 ILE A 107 -2.403 4.177 -2.921 1.00 0.00 C ATOM 0 H ILE A 107 -5.616 1.163 -0.664 1.00 0.00 H new ATOM 0 HA ILE A 107 -5.586 3.457 -2.359 1.00 0.00 H new ATOM 0 HB ILE A 107 -4.051 2.603 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -4.015 4.798 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -2.567 4.335 -0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.886 1.743 -1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.218 0.607 -1.428 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.545 1.584 -2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.018 5.191 -3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.571 3.474 -2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -3.041 3.944 -3.774 1.00 0.00 H new ATOM 1686 N GLY A 108 -5.656 0.978 -4.057 1.00 0.00 N ATOM 1687 CA GLY A 108 -5.448 0.389 -5.369 1.00 0.00 C ATOM 1688 C GLY A 108 -5.092 -1.083 -5.301 1.00 0.00 C ATOM 1689 O GLY A 108 -5.546 -1.797 -4.407 1.00 0.00 O ATOM 0 H GLY A 108 -6.470 0.627 -3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.352 0.513 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -4.651 0.928 -5.882 1.00 0.00 H new ATOM 1693 N ARG A 109 -4.279 -1.540 -6.251 1.00 0.00 N ATOM 1694 CA ARG A 109 -3.870 -2.941 -6.292 1.00 0.00 C ATOM 1695 C ARG A 109 -2.549 -3.113 -7.038 1.00 0.00 C ATOM 1696 O ARG A 109 -2.077 -2.197 -7.711 1.00 0.00 O ATOM 1697 CB ARG A 109 -4.953 -3.793 -6.960 1.00 0.00 C ATOM 1698 CG ARG A 109 -6.362 -3.498 -6.470 1.00 0.00 C ATOM 1699 CD ARG A 109 -7.378 -4.416 -7.126 1.00 0.00 C ATOM 1700 NE ARG A 109 -7.136 -5.823 -6.809 1.00 0.00 N ATOM 1701 CZ ARG A 109 -6.323 -6.615 -7.505 1.00 0.00 C ATOM 1702 NH1 ARG A 109 -5.668 -6.148 -8.562 1.00 0.00 N ATOM 1703 NH2 ARG A 109 -6.166 -7.880 -7.144 1.00 0.00 N ATOM 0 H ARG A 109 -3.893 -0.964 -6.999 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.730 -3.274 -5.264 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.913 -3.633 -8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -4.732 -4.846 -6.785 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -6.405 -3.618 -5.388 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -6.614 -2.460 -6.686 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -8.380 -4.139 -6.799 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -7.346 -4.278 -8.207 1.00 0.00 H new ATOM 0 HE ARG A 109 -7.620 -6.222 -6.005 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -5.786 -5.176 -8.846 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -5.047 -6.762 -9.089 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -6.667 -8.245 -6.334 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -5.544 -8.489 -7.676 1.00 0.00 H new ATOM 1717 N ILE A 110 -1.963 -4.302 -6.912 1.00 0.00 N ATOM 1718 CA ILE A 110 -0.697 -4.612 -7.571 1.00 0.00 C ATOM 1719 C ILE A 110 -0.943 -5.262 -8.932 1.00 0.00 C ATOM 1720 O ILE A 110 -1.483 -6.364 -9.014 1.00 0.00 O ATOM 1721 CB ILE A 110 0.163 -5.563 -6.707 1.00 0.00 C ATOM 1722 CG1 ILE A 110 0.451 -4.931 -5.339 1.00 0.00 C ATOM 1723 CG2 ILE A 110 1.465 -5.913 -7.416 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -0.108 -5.712 -4.166 1.00 0.00 C ATOM 0 H ILE A 110 -2.346 -5.068 -6.358 1.00 0.00 H new ATOM 0 HA ILE A 110 -0.162 -3.672 -7.707 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.399 -6.484 -6.554 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.530 -4.833 -5.216 1.00 0.00 H new ATOM 0 HG13 ILE A 110 0.036 -3.923 -5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.052 -6.583 -6.788 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.243 -6.405 -8.363 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.033 -5.002 -7.605 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.139 -5.199 -3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.191 -5.788 -4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.326 -6.712 -4.155 1.00 0.00 H new ATOM 1736 N VAL A 111 -0.547 -4.570 -9.996 1.00 0.00 N ATOM 1737 CA VAL A 111 -0.731 -5.089 -11.357 1.00 0.00 C ATOM 1738 C VAL A 111 -0.171 -6.505 -11.478 1.00 0.00 C ATOM 1739 O VAL A 111 -0.920 -7.481 -11.463 1.00 0.00 O ATOM 1740 CB VAL A 111 -0.076 -4.195 -12.447 1.00 0.00 C ATOM 1741 CG1 VAL A 111 -1.136 -3.617 -13.376 1.00 0.00 C ATOM 1742 CG2 VAL A 111 0.764 -3.080 -11.837 1.00 0.00 C ATOM 0 H VAL A 111 -0.099 -3.655 -9.949 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.807 -5.091 -11.530 1.00 0.00 H new ATOM 0 HB VAL A 111 0.593 -4.829 -13.029 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.657 -2.994 -14.132 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.675 -4.430 -13.863 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.836 -3.013 -12.798 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.204 -2.479 -12.633 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.132 -2.449 -11.212 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.558 -3.514 -11.229 1.00 0.00 H new ATOM 1816 N LEU A 117 6.333 -9.822 -2.974 1.00 0.00 N ATOM 1817 CA LEU A 117 7.043 -9.021 -1.976 1.00 0.00 C ATOM 1818 C LEU A 117 6.876 -9.595 -0.572 1.00 0.00 C ATOM 1819 O LEU A 117 7.784 -9.507 0.253 1.00 0.00 O ATOM 1820 CB LEU A 117 6.550 -7.570 -2.007 1.00 0.00 C ATOM 1821 CG LEU A 117 7.209 -6.633 -0.986 1.00 0.00 C ATOM 1822 CD1 LEU A 117 7.440 -5.254 -1.582 1.00 0.00 C ATOM 1823 CD2 LEU A 117 6.363 -6.528 0.277 1.00 0.00 C ATOM 0 HA LEU A 117 8.103 -9.048 -2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.718 -7.168 -3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.473 -7.565 -1.838 1.00 0.00 H new ATOM 0 HG LEU A 117 8.177 -7.058 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.908 -4.610 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.092 -5.338 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.485 -4.824 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.850 -5.859 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.378 -6.135 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.255 -7.516 0.726 1.00 0.00 H new ATOM 1835 N LYS A 118 5.709 -10.182 -0.307 1.00 0.00 N ATOM 1836 CA LYS A 118 5.424 -10.774 1.005 1.00 0.00 C ATOM 1837 C LYS A 118 6.620 -11.564 1.553 1.00 0.00 C ATOM 1838 O LYS A 118 6.754 -11.727 2.766 1.00 0.00 O ATOM 1839 CB LYS A 118 4.196 -11.690 0.929 1.00 0.00 C ATOM 1840 CG LYS A 118 4.206 -12.655 -0.251 1.00 0.00 C ATOM 1841 CD LYS A 118 4.952 -13.938 0.077 1.00 0.00 C ATOM 1842 CE LYS A 118 4.121 -14.854 0.960 1.00 0.00 C ATOM 1843 NZ LYS A 118 2.973 -15.447 0.222 1.00 0.00 N ATOM 0 H LYS A 118 4.946 -10.261 -0.979 1.00 0.00 H new ATOM 0 HA LYS A 118 5.222 -9.949 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 118 4.128 -12.265 1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.300 -11.073 0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 118 3.181 -12.893 -0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.671 -12.173 -1.111 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.210 -14.457 -0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.889 -13.697 0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 118 4.752 -15.652 1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 118 3.750 -14.293 1.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 2.597 -16.256 0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 2.227 -14.731 0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 3.291 -15.769 -0.714 1.00 0.00 H new ATOM 1857 N GLY A 119 7.484 -12.054 0.662 1.00 0.00 N ATOM 1858 CA GLY A 119 8.646 -12.814 1.097 1.00 0.00 C ATOM 1859 C GLY A 119 9.862 -11.941 1.351 1.00 0.00 C ATOM 1860 O GLY A 119 10.995 -12.356 1.113 1.00 0.00 O ATOM 0 H GLY A 119 7.400 -11.938 -0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.398 -13.357 2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.891 -13.558 0.340 1.00 0.00 H new ATOM 1864 N VAL A 120 9.625 -10.728 1.839 1.00 0.00 N ATOM 1865 CA VAL A 120 10.702 -9.786 2.134 1.00 0.00 C ATOM 1866 C VAL A 120 11.449 -10.178 3.409 1.00 0.00 C ATOM 1867 O VAL A 120 10.886 -10.833 4.286 1.00 0.00 O ATOM 1868 CB VAL A 120 10.174 -8.344 2.300 1.00 0.00 C ATOM 1869 CG1 VAL A 120 9.830 -7.735 0.953 1.00 0.00 C ATOM 1870 CG2 VAL A 120 8.970 -8.311 3.233 1.00 0.00 C ATOM 0 H VAL A 120 8.691 -10.371 2.040 1.00 0.00 H new ATOM 0 HA VAL A 120 11.382 -9.823 1.283 1.00 0.00 H new ATOM 0 HB VAL A 120 10.966 -7.745 2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 120 9.460 -6.720 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.721 -7.712 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 120 9.061 -8.336 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 120 8.616 -7.285 3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.173 -8.931 2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.258 -8.694 4.212 1.00 0.00 H new ATOM 1880 N ALA A 121 12.713 -9.775 3.515 1.00 0.00 N ATOM 1881 CA ALA A 121 13.509 -10.081 4.698 1.00 0.00 C ATOM 1882 C ALA A 121 13.112 -9.159 5.849 1.00 0.00 C ATOM 1883 O ALA A 121 12.757 -8.003 5.626 1.00 0.00 O ATOM 1884 CB ALA A 121 14.996 -9.947 4.393 1.00 0.00 C ATOM 0 H ALA A 121 13.205 -9.239 2.800 1.00 0.00 H new ATOM 0 HA ALA A 121 13.314 -11.112 4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 121 15.573 -10.179 5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 121 15.268 -10.639 3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 121 15.212 -8.927 4.077 1.00 0.00 H new ATOM 1890 N ASP A 122 13.159 -9.673 7.076 1.00 0.00 N ATOM 1891 CA ASP A 122 12.784 -8.879 8.241 1.00 0.00 C ATOM 1892 C ASP A 122 13.606 -7.597 8.335 1.00 0.00 C ATOM 1893 O ASP A 122 14.802 -7.629 8.628 1.00 0.00 O ATOM 1894 CB ASP A 122 12.937 -9.695 9.526 1.00 0.00 C ATOM 1895 CG ASP A 122 14.381 -10.035 9.837 1.00 0.00 C ATOM 1896 OD1 ASP A 122 14.959 -10.878 9.120 1.00 0.00 O ATOM 1897 OD2 ASP A 122 14.933 -9.457 10.796 1.00 0.00 O ATOM 0 H ASP A 122 13.450 -10.627 7.287 1.00 0.00 H new ATOM 0 HA ASP A 122 11.737 -8.601 8.121 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.513 -9.135 10.359 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.363 -10.617 9.436 1.00 0.00 H new ATOM 1902 N GLY A 123 12.947 -6.468 8.100 1.00 0.00 N ATOM 1903 CA GLY A 123 13.616 -5.183 8.175 1.00 0.00 C ATOM 1904 C GLY A 123 14.549 -4.922 7.005 1.00 0.00 C ATOM 1905 O GLY A 123 15.663 -5.443 6.964 1.00 0.00 O ATOM 0 H GLY A 123 11.957 -6.420 7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 123 12.866 -4.393 8.216 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.185 -5.131 9.103 1.00 0.00 H new ATOM 1909 N GLU A 124 14.099 -4.097 6.063 1.00 0.00 N ATOM 1910 CA GLU A 124 14.912 -3.750 4.898 1.00 0.00 C ATOM 1911 C GLU A 124 14.513 -2.384 4.344 1.00 0.00 C ATOM 1912 O GLU A 124 13.362 -1.966 4.464 1.00 0.00 O ATOM 1913 CB GLU A 124 14.809 -4.825 3.808 1.00 0.00 C ATOM 1914 CG GLU A 124 13.404 -5.354 3.569 1.00 0.00 C ATOM 1915 CD GLU A 124 13.326 -6.224 2.329 1.00 0.00 C ATOM 1916 OE1 GLU A 124 13.491 -5.684 1.215 1.00 0.00 O ATOM 1917 OE2 GLU A 124 13.108 -7.444 2.473 1.00 0.00 O ATOM 0 H GLU A 124 13.179 -3.657 6.082 1.00 0.00 H new ATOM 0 HA GLU A 124 15.951 -3.699 5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.192 -4.414 2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 124 15.456 -5.660 4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.081 -5.930 4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.714 -4.516 3.468 1.00 0.00 H new ATOM 1924 N SER A 125 15.478 -1.685 3.748 1.00 0.00 N ATOM 1925 CA SER A 125 15.238 -0.353 3.183 1.00 0.00 C ATOM 1926 C SER A 125 13.981 -0.313 2.316 1.00 0.00 C ATOM 1927 O SER A 125 13.472 -1.348 1.884 1.00 0.00 O ATOM 1928 CB SER A 125 16.448 0.095 2.363 1.00 0.00 C ATOM 1929 OG SER A 125 16.701 1.478 2.540 1.00 0.00 O ATOM 0 H SER A 125 16.436 -2.018 3.643 1.00 0.00 H new ATOM 0 HA SER A 125 15.084 0.331 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 125 17.325 -0.479 2.660 1.00 0.00 H new ATOM 0 HB3 SER A 125 16.273 -0.114 1.308 1.00 0.00 H new ATOM 0 HG SER A 125 17.481 1.739 2.006 1.00 0.00 H new ATOM 1935 N VAL A 126 13.496 0.901 2.067 1.00 0.00 N ATOM 1936 CA VAL A 126 12.304 1.118 1.250 1.00 0.00 C ATOM 1937 C VAL A 126 12.290 2.540 0.692 1.00 0.00 C ATOM 1938 O VAL A 126 12.442 3.507 1.439 1.00 0.00 O ATOM 1939 CB VAL A 126 11.008 0.887 2.061 1.00 0.00 C ATOM 1940 CG1 VAL A 126 9.778 1.061 1.184 1.00 0.00 C ATOM 1941 CG2 VAL A 126 11.008 -0.486 2.706 1.00 0.00 C ATOM 0 H VAL A 126 13.916 1.759 2.424 1.00 0.00 H new ATOM 0 HA VAL A 126 12.340 0.398 0.433 1.00 0.00 H new ATOM 0 HB VAL A 126 10.974 1.637 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.880 0.893 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 126 9.761 2.073 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 126 9.810 0.342 0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 126 10.086 -0.623 3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 126 11.077 -1.251 1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.861 -0.572 3.379 1.00 0.00 H new ATOM 1951 N VAL A 127 12.102 2.672 -0.622 1.00 0.00 N ATOM 1952 CA VAL A 127 12.070 3.988 -1.254 1.00 0.00 C ATOM 1953 C VAL A 127 10.796 4.175 -2.072 1.00 0.00 C ATOM 1954 O VAL A 127 10.639 3.585 -3.141 1.00 0.00 O ATOM 1955 CB VAL A 127 13.298 4.220 -2.161 1.00 0.00 C ATOM 1956 CG1 VAL A 127 14.580 4.251 -1.338 1.00 0.00 C ATOM 1957 CG2 VAL A 127 13.373 3.157 -3.248 1.00 0.00 C ATOM 0 H VAL A 127 11.971 1.890 -1.263 1.00 0.00 H new ATOM 0 HA VAL A 127 12.091 4.721 -0.448 1.00 0.00 H new ATOM 0 HB VAL A 127 13.186 5.190 -2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 127 15.432 4.416 -1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 127 14.525 5.059 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 127 14.702 3.301 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 127 14.245 3.339 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 127 13.456 2.172 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 127 12.471 3.197 -3.859 1.00 0.00 H new ATOM 1967 N VAL A 128 9.889 5.004 -1.559 1.00 0.00 N ATOM 1968 CA VAL A 128 8.621 5.277 -2.237 1.00 0.00 C ATOM 1969 C VAL A 128 8.810 6.349 -3.316 1.00 0.00 C ATOM 1970 O VAL A 128 9.361 7.414 -3.040 1.00 0.00 O ATOM 1971 CB VAL A 128 7.533 5.762 -1.246 1.00 0.00 C ATOM 1972 CG1 VAL A 128 6.172 5.168 -1.588 1.00 0.00 C ATOM 1973 CG2 VAL A 128 7.899 5.429 0.196 1.00 0.00 C ATOM 0 H VAL A 128 10.008 5.499 -0.675 1.00 0.00 H new ATOM 0 HA VAL A 128 8.295 4.340 -2.689 1.00 0.00 H new ATOM 0 HB VAL A 128 7.475 6.846 -1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.429 5.526 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 128 5.885 5.472 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.227 4.080 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 128 7.113 5.784 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 128 8.006 4.350 0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 128 8.840 5.915 0.454 1.00 0.00 H new ATOM 1983 N GLU A 129 8.357 6.074 -4.541 1.00 0.00 N ATOM 1984 CA GLU A 129 8.492 7.030 -5.634 1.00 0.00 C ATOM 1985 C GLU A 129 7.400 6.829 -6.687 1.00 0.00 C ATOM 1986 O GLU A 129 7.204 5.720 -7.182 1.00 0.00 O ATOM 1987 CB GLU A 129 9.870 6.889 -6.284 1.00 0.00 C ATOM 1988 CG GLU A 129 10.190 5.472 -6.729 1.00 0.00 C ATOM 1989 CD GLU A 129 11.475 4.945 -6.121 1.00 0.00 C ATOM 1990 OE1 GLU A 129 12.521 5.609 -6.278 1.00 0.00 O ATOM 1991 OE2 GLU A 129 11.437 3.868 -5.489 1.00 0.00 O ATOM 0 H GLU A 129 7.896 5.201 -4.797 1.00 0.00 H new ATOM 0 HA GLU A 129 8.384 8.032 -5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 129 9.925 7.553 -7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.631 7.220 -5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.366 4.814 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.269 5.446 -7.816 1.00 0.00 H new ATOM 1998 N ARG A 130 6.696 7.908 -7.030 1.00 0.00 N ATOM 1999 CA ARG A 130 5.631 7.845 -8.028 1.00 0.00 C ATOM 2000 C ARG A 130 6.213 7.756 -9.436 1.00 0.00 C ATOM 2001 O ARG A 130 6.450 8.774 -10.085 1.00 0.00 O ATOM 2002 CB ARG A 130 4.729 9.076 -7.913 1.00 0.00 C ATOM 2003 CG ARG A 130 3.583 9.099 -8.910 1.00 0.00 C ATOM 2004 CD ARG A 130 3.942 9.884 -10.163 1.00 0.00 C ATOM 2005 NE ARG A 130 3.996 9.030 -11.348 1.00 0.00 N ATOM 2006 CZ ARG A 130 2.939 8.401 -11.856 1.00 0.00 C ATOM 2007 NH1 ARG A 130 1.746 8.522 -11.285 1.00 0.00 N ATOM 2008 NH2 ARG A 130 3.073 7.646 -12.939 1.00 0.00 N ATOM 0 H ARG A 130 6.845 8.835 -6.631 1.00 0.00 H new ATOM 0 HA ARG A 130 5.039 6.949 -7.841 1.00 0.00 H new ATOM 0 HB2 ARG A 130 4.320 9.120 -6.904 1.00 0.00 H new ATOM 0 HB3 ARG A 130 5.335 9.972 -8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 130 3.319 8.078 -9.184 1.00 0.00 H new ATOM 0 HG3 ARG A 130 2.703 9.542 -8.443 1.00 0.00 H new ATOM 0 HD2 ARG A 130 3.207 10.674 -10.319 1.00 0.00 H new ATOM 0 HD3 ARG A 130 4.907 10.370 -10.022 1.00 0.00 H new ATOM 0 HE ARG A 130 4.896 8.909 -11.812 1.00 0.00 H new ATOM 0 HH11 ARG A 130 1.636 9.100 -10.452 1.00 0.00 H new ATOM 0 HH12 ARG A 130 0.940 8.037 -11.680 1.00 0.00 H new ATOM 0 HH21 ARG A 130 3.986 7.548 -13.382 1.00 0.00 H new ATOM 0 HH22 ARG A 130 2.263 7.164 -13.328 1.00 0.00 H new ATOM 2022 N ALA A 131 6.437 6.530 -9.901 1.00 0.00 N ATOM 2023 CA ALA A 131 6.989 6.292 -11.236 1.00 0.00 C ATOM 2024 C ALA A 131 8.106 7.276 -11.570 1.00 0.00 C ATOM 2025 O ALA A 131 7.806 8.328 -12.176 1.00 0.00 O ATOM 2026 CB ALA A 131 5.884 6.369 -12.275 1.00 0.00 C ATOM 2027 OXT ALA A 131 9.271 6.988 -11.224 1.00 0.00 O ATOM 0 H ALA A 131 6.244 5.680 -9.371 1.00 0.00 H new ATOM 0 HA ALA A 131 7.423 5.292 -11.246 1.00 0.00 H new ATOM 0 HB1 ALA A 131 6.303 6.191 -13.265 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.128 5.614 -12.059 1.00 0.00 H new ATOM 0 HB3 ALA A 131 5.427 7.358 -12.247 1.00 0.00 H new