USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 THR OG1 : rot 170:sc= -0.565 USER MOD Set 1.2: A 72 ASN : amide:sc= 0.877 X(o=0.31,f=0.61) USER MOD Single : A 9 SER OG : rot 48:sc= 0.288 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -170:sc= -0.228 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 57:sc= 0.703 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 155:sc= -1.08 (180deg=-2.72!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -170:sc= -0.813 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 54 SER OG : rot -107:sc= 0.0721 USER MOD Single : A 58 THR OG1 : rot -51:sc= -0.637 USER MOD Single : A 59 ASN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -2.71 X(o=-2.7,f=-2.8!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -12.7! C(o=-15!,f=-13!) USER MOD Single : A 79 SER OG : rot 180:sc= -0.0115 USER MOD ----------------------------------------------------------------- ATOM 92 N SER A 9 -12.100 -15.272 2.879 1.00 0.00 N ATOM 93 CA SER A 9 -11.099 -14.620 3.705 1.00 0.00 C ATOM 94 C SER A 9 -10.257 -13.668 2.854 1.00 0.00 C ATOM 95 O SER A 9 -9.245 -14.071 2.282 1.00 0.00 O ATOM 96 CB SER A 9 -10.201 -15.647 4.398 1.00 0.00 C ATOM 97 OG SER A 9 -9.673 -16.600 3.480 1.00 0.00 O ATOM 0 HA SER A 9 -11.614 -14.048 4.477 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.381 -15.132 4.898 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.771 -16.164 5.170 1.00 0.00 H new ATOM 0 HG SER A 9 -9.312 -16.135 2.697 1.00 0.00 H new ATOM 103 N LYS A 10 -10.705 -12.422 2.796 1.00 0.00 N ATOM 104 CA LYS A 10 -10.006 -11.410 2.024 1.00 0.00 C ATOM 105 C LYS A 10 -9.592 -10.264 2.949 1.00 0.00 C ATOM 106 O LYS A 10 -10.035 -10.196 4.095 1.00 0.00 O ATOM 107 CB LYS A 10 -10.856 -10.962 0.833 1.00 0.00 C ATOM 108 CG LYS A 10 -10.432 -11.687 -0.447 1.00 0.00 C ATOM 109 CD LYS A 10 -10.681 -10.814 -1.679 1.00 0.00 C ATOM 110 CE LYS A 10 -10.977 -11.675 -2.909 1.00 0.00 C ATOM 111 NZ LYS A 10 -11.465 -10.833 -4.024 1.00 0.00 N ATOM 0 H LYS A 10 -11.544 -12.091 3.272 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.092 -11.822 1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.908 -11.162 1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.757 -9.885 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.375 -11.947 -0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.986 -12.621 -0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.519 -10.143 -1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.808 -10.189 -1.869 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.076 -12.206 -3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.723 -12.430 -2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.661 -11.432 -4.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.337 -10.345 -3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.740 -10.129 -4.271 1.00 0.00 H new ATOM 125 N VAL A 11 -8.747 -9.392 2.418 1.00 0.00 N ATOM 126 CA VAL A 11 -8.269 -8.253 3.182 1.00 0.00 C ATOM 127 C VAL A 11 -8.280 -7.007 2.294 1.00 0.00 C ATOM 128 O VAL A 11 -7.653 -6.990 1.236 1.00 0.00 O ATOM 129 CB VAL A 11 -6.888 -8.558 3.767 1.00 0.00 C ATOM 130 CG1 VAL A 11 -6.977 -9.635 4.850 1.00 0.00 C ATOM 131 CG2 VAL A 11 -5.905 -8.965 2.668 1.00 0.00 C ATOM 0 H VAL A 11 -8.381 -9.452 1.468 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.929 -8.056 4.027 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.512 -7.646 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.982 -9.833 5.249 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.628 -9.290 5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.384 -10.550 4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.932 -9.176 3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.274 -9.857 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.808 -8.153 1.948 1.00 0.00 H new ATOM 141 N SER A 12 -8.999 -5.996 2.757 1.00 0.00 N ATOM 142 CA SER A 12 -9.100 -4.749 2.018 1.00 0.00 C ATOM 143 C SER A 12 -8.116 -3.724 2.584 1.00 0.00 C ATOM 144 O SER A 12 -7.961 -3.611 3.799 1.00 0.00 O ATOM 145 CB SER A 12 -10.526 -4.196 2.062 1.00 0.00 C ATOM 146 OG SER A 12 -10.560 -2.789 1.840 1.00 0.00 O ATOM 0 H SER A 12 -9.518 -6.015 3.635 1.00 0.00 H new ATOM 0 HA SER A 12 -8.848 -4.948 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.132 -4.697 1.307 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.972 -4.421 3.031 1.00 0.00 H new ATOM 0 HG SER A 12 -11.459 -2.449 2.031 1.00 0.00 H new ATOM 152 N PHE A 13 -7.475 -3.002 1.676 1.00 0.00 N ATOM 153 CA PHE A 13 -6.510 -1.990 2.069 1.00 0.00 C ATOM 154 C PHE A 13 -7.011 -0.588 1.717 1.00 0.00 C ATOM 155 O PHE A 13 -7.708 -0.406 0.720 1.00 0.00 O ATOM 156 CB PHE A 13 -5.224 -2.270 1.288 1.00 0.00 C ATOM 157 CG PHE A 13 -4.854 -3.753 1.211 1.00 0.00 C ATOM 158 CD1 PHE A 13 -5.347 -4.525 0.206 1.00 0.00 C ATOM 159 CD2 PHE A 13 -4.032 -4.298 2.147 1.00 0.00 C ATOM 160 CE1 PHE A 13 -5.003 -5.901 0.133 1.00 0.00 C ATOM 161 CE2 PHE A 13 -3.688 -5.674 2.074 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.181 -6.446 1.069 1.00 0.00 C ATOM 0 H PHE A 13 -7.606 -3.098 0.669 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.349 -2.029 3.146 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.333 -1.880 0.276 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.403 -1.725 1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.000 -4.092 -0.537 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.641 -3.685 2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.394 -6.514 -0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.035 -6.107 2.817 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.920 -7.492 1.014 1.00 0.00 H new ATOM 172 N LYS A 14 -6.636 0.368 2.555 1.00 0.00 N ATOM 173 CA LYS A 14 -7.039 1.748 2.345 1.00 0.00 C ATOM 174 C LYS A 14 -5.792 2.624 2.213 1.00 0.00 C ATOM 175 O LYS A 14 -5.224 3.056 3.215 1.00 0.00 O ATOM 176 CB LYS A 14 -7.995 2.201 3.450 1.00 0.00 C ATOM 177 CG LYS A 14 -9.286 2.772 2.858 1.00 0.00 C ATOM 178 CD LYS A 14 -10.221 3.271 3.961 1.00 0.00 C ATOM 179 CE LYS A 14 -11.511 2.449 3.999 1.00 0.00 C ATOM 180 NZ LYS A 14 -12.448 3.001 5.003 1.00 0.00 N ATOM 0 H LYS A 14 -6.057 0.214 3.381 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.597 1.845 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.230 1.358 4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.510 2.956 4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.048 3.591 2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.790 2.006 2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.717 3.209 4.926 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.459 4.321 3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.980 2.452 3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.281 1.411 4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.318 2.431 5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.004 2.976 5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.681 3.984 4.757 1.00 0.00 H new ATOM 194 N ILE A 15 -5.402 2.861 0.969 1.00 0.00 N ATOM 195 CA ILE A 15 -4.233 3.678 0.693 1.00 0.00 C ATOM 196 C ILE A 15 -4.668 4.962 -0.015 1.00 0.00 C ATOM 197 O ILE A 15 -5.651 4.964 -0.755 1.00 0.00 O ATOM 198 CB ILE A 15 -3.187 2.872 -0.081 1.00 0.00 C ATOM 199 CG1 ILE A 15 -2.917 1.528 0.598 1.00 0.00 C ATOM 200 CG2 ILE A 15 -1.904 3.683 -0.275 1.00 0.00 C ATOM 201 CD1 ILE A 15 -2.723 0.419 -0.438 1.00 0.00 C ATOM 0 H ILE A 15 -5.876 2.501 0.140 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.748 3.976 1.623 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.586 2.658 -1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.028 1.605 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.749 1.275 1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.177 3.088 -0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.129 4.591 -0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.491 3.948 0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.533 -0.526 0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.623 0.328 -1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.875 0.663 -1.078 1.00 0.00 H new ATOM 213 N THR A 16 -3.915 6.023 0.235 1.00 0.00 N ATOM 214 CA THR A 16 -4.212 7.310 -0.369 1.00 0.00 C ATOM 215 C THR A 16 -2.983 7.849 -1.105 1.00 0.00 C ATOM 216 O THR A 16 -1.930 8.046 -0.501 1.00 0.00 O ATOM 217 CB THR A 16 -4.719 8.244 0.731 1.00 0.00 C ATOM 218 OG1 THR A 16 -6.012 7.737 1.048 1.00 0.00 O ATOM 219 CG2 THR A 16 -4.989 9.660 0.219 1.00 0.00 C ATOM 0 H THR A 16 -3.100 6.017 0.848 1.00 0.00 H new ATOM 0 HA THR A 16 -4.993 7.221 -1.125 1.00 0.00 H new ATOM 0 HB THR A 16 -3.988 8.284 1.539 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.413 8.284 1.755 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.347 10.282 1.040 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.068 10.084 -0.182 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.745 9.625 -0.566 1.00 0.00 H new ATOM 227 N LEU A 17 -3.159 8.072 -2.399 1.00 0.00 N ATOM 228 CA LEU A 17 -2.077 8.584 -3.224 1.00 0.00 C ATOM 229 C LEU A 17 -1.568 9.899 -2.630 1.00 0.00 C ATOM 230 O LEU A 17 -2.358 10.774 -2.281 1.00 0.00 O ATOM 231 CB LEU A 17 -2.525 8.701 -4.682 1.00 0.00 C ATOM 232 CG LEU A 17 -1.520 9.340 -5.643 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.284 8.454 -5.813 1.00 0.00 C ATOM 234 CD2 LEU A 17 -2.178 9.670 -6.984 1.00 0.00 C ATOM 0 H LEU A 17 -4.034 7.908 -2.897 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.238 7.889 -3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.765 7.703 -5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.447 9.282 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.183 10.282 -5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.414 8.931 -6.501 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.199 8.313 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.583 7.485 -6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.442 10.123 -7.649 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.561 8.755 -7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.000 10.367 -6.824 1.00 0.00 H new ATOM 246 N THR A 18 -0.250 9.996 -2.534 1.00 0.00 N ATOM 247 CA THR A 18 0.375 11.189 -1.988 1.00 0.00 C ATOM 248 C THR A 18 1.537 11.637 -2.877 1.00 0.00 C ATOM 249 O THR A 18 2.667 11.185 -2.701 1.00 0.00 O ATOM 250 CB THR A 18 0.793 10.887 -0.548 1.00 0.00 C ATOM 251 OG1 THR A 18 1.960 10.082 -0.686 1.00 0.00 O ATOM 252 CG2 THR A 18 -0.204 9.977 0.173 1.00 0.00 C ATOM 0 H THR A 18 0.402 9.268 -2.825 1.00 0.00 H new ATOM 0 HA THR A 18 -0.321 12.027 -1.970 1.00 0.00 H new ATOM 0 HB THR A 18 0.895 11.822 0.003 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.628 10.563 -1.218 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.140 9.794 1.191 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.181 10.459 0.202 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.282 9.029 -0.359 1.00 0.00 H new ATOM 260 N SER A 19 1.218 12.519 -3.813 1.00 0.00 N ATOM 261 CA SER A 19 2.222 13.033 -4.729 1.00 0.00 C ATOM 262 C SER A 19 1.592 14.059 -5.673 1.00 0.00 C ATOM 263 O SER A 19 2.214 15.068 -6.003 1.00 0.00 O ATOM 264 CB SER A 19 2.867 11.900 -5.531 1.00 0.00 C ATOM 265 OG SER A 19 1.908 11.174 -6.295 1.00 0.00 O ATOM 0 H SER A 19 0.279 12.891 -3.957 1.00 0.00 H new ATOM 0 HA SER A 19 3.003 13.518 -4.144 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.624 12.313 -6.198 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.379 11.220 -4.850 1.00 0.00 H new ATOM 0 HG SER A 19 2.359 10.461 -6.794 1.00 0.00 H new ATOM 271 N ASP A 20 0.366 13.766 -6.081 1.00 0.00 N ATOM 272 CA ASP A 20 -0.355 14.651 -6.980 1.00 0.00 C ATOM 273 C ASP A 20 -1.184 15.641 -6.159 1.00 0.00 C ATOM 274 O ASP A 20 -1.275 15.517 -4.939 1.00 0.00 O ATOM 275 CB ASP A 20 -1.312 13.864 -7.878 1.00 0.00 C ATOM 276 CG ASP A 20 -1.032 13.977 -9.377 1.00 0.00 C ATOM 277 OD1 ASP A 20 0.156 14.155 -9.721 1.00 0.00 O ATOM 278 OD2 ASP A 20 -2.013 13.883 -10.146 1.00 0.00 O ATOM 0 H ASP A 20 -0.146 12.928 -5.806 1.00 0.00 H new ATOM 0 HA ASP A 20 0.376 15.170 -7.600 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.270 12.812 -7.594 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.329 14.206 -7.687 1.00 0.00 H new ATOM 283 N PRO A 21 -1.782 16.627 -6.880 1.00 0.00 N ATOM 284 CA PRO A 21 -2.600 17.637 -6.232 1.00 0.00 C ATOM 285 C PRO A 21 -3.958 17.064 -5.823 1.00 0.00 C ATOM 286 O PRO A 21 -5.000 17.593 -6.208 1.00 0.00 O ATOM 287 CB PRO A 21 -2.711 18.764 -7.246 1.00 0.00 C ATOM 288 CG PRO A 21 -2.347 18.152 -8.589 1.00 0.00 C ATOM 289 CD PRO A 21 -1.696 16.804 -8.327 1.00 0.00 C ATOM 0 HA PRO A 21 -2.163 17.999 -5.301 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.720 19.175 -7.265 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.038 19.584 -6.995 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.237 18.032 -9.207 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.666 18.805 -9.134 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.215 16.004 -8.855 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.660 16.791 -8.667 1.00 0.00 H new ATOM 297 N ARG A 22 -3.903 15.990 -5.049 1.00 0.00 N ATOM 298 CA ARG A 22 -5.116 15.339 -4.584 1.00 0.00 C ATOM 299 C ARG A 22 -4.775 14.231 -3.587 1.00 0.00 C ATOM 300 O ARG A 22 -3.615 14.060 -3.216 1.00 0.00 O ATOM 301 CB ARG A 22 -5.902 14.741 -5.752 1.00 0.00 C ATOM 302 CG ARG A 22 -6.850 15.775 -6.363 1.00 0.00 C ATOM 303 CD ARG A 22 -8.195 15.140 -6.724 1.00 0.00 C ATOM 304 NE ARG A 22 -9.295 15.870 -6.054 1.00 0.00 N ATOM 305 CZ ARG A 22 -10.595 15.598 -6.233 1.00 0.00 C ATOM 306 NH1 ARG A 22 -10.965 14.612 -7.060 1.00 0.00 N ATOM 307 NH2 ARG A 22 -11.524 16.313 -5.583 1.00 0.00 N ATOM 0 H ARG A 22 -3.037 15.554 -4.732 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.732 16.094 -4.096 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.210 14.382 -6.514 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.472 13.879 -5.407 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.007 16.591 -5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.397 16.207 -7.255 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.338 15.161 -7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.205 14.093 -6.422 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.048 16.627 -5.417 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.257 14.068 -7.554 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.954 14.405 -7.196 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.241 17.063 -4.953 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.514 16.107 -5.719 1.00 0.00 H new ATOM 321 N LEU A 23 -5.807 13.505 -3.181 1.00 0.00 N ATOM 322 CA LEU A 23 -5.631 12.418 -2.233 1.00 0.00 C ATOM 323 C LEU A 23 -6.790 11.429 -2.377 1.00 0.00 C ATOM 324 O LEU A 23 -7.580 11.255 -1.451 1.00 0.00 O ATOM 325 CB LEU A 23 -5.462 12.965 -0.815 1.00 0.00 C ATOM 326 CG LEU A 23 -4.022 13.101 -0.315 1.00 0.00 C ATOM 327 CD1 LEU A 23 -3.533 14.545 -0.439 1.00 0.00 C ATOM 328 CD2 LEU A 23 -3.886 12.570 1.114 1.00 0.00 C ATOM 0 H LEU A 23 -6.768 13.649 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.714 11.869 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.937 13.945 -0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.004 12.314 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.381 12.489 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.507 14.614 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.571 14.853 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.172 15.198 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.853 12.678 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.541 13.136 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.167 11.517 1.139 1.00 0.00 H new ATOM 340 N PRO A 24 -6.855 10.791 -3.576 1.00 0.00 N ATOM 341 CA PRO A 24 -7.904 9.825 -3.854 1.00 0.00 C ATOM 342 C PRO A 24 -7.639 8.505 -3.127 1.00 0.00 C ATOM 343 O PRO A 24 -6.578 7.904 -3.290 1.00 0.00 O ATOM 344 CB PRO A 24 -7.914 9.678 -5.366 1.00 0.00 C ATOM 345 CG PRO A 24 -6.572 10.208 -5.846 1.00 0.00 C ATOM 346 CD PRO A 24 -5.936 10.972 -4.696 1.00 0.00 C ATOM 0 HA PRO A 24 -8.880 10.149 -3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.049 8.636 -5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.737 10.241 -5.808 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.928 9.387 -6.162 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.705 10.859 -6.710 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.945 10.582 -4.462 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.814 12.027 -4.941 1.00 0.00 H new ATOM 354 N TYR A 25 -8.622 8.092 -2.339 1.00 0.00 N ATOM 355 CA TYR A 25 -8.508 6.854 -1.587 1.00 0.00 C ATOM 356 C TYR A 25 -8.659 5.639 -2.504 1.00 0.00 C ATOM 357 O TYR A 25 -9.281 5.729 -3.562 1.00 0.00 O ATOM 358 CB TYR A 25 -9.661 6.866 -0.580 1.00 0.00 C ATOM 359 CG TYR A 25 -10.991 6.374 -1.153 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.281 5.024 -1.164 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.902 7.280 -1.658 1.00 0.00 C ATOM 362 CE1 TYR A 25 -12.534 4.562 -1.703 1.00 0.00 C ATOM 363 CE2 TYR A 25 -13.155 6.817 -2.197 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.409 5.481 -2.193 1.00 0.00 C ATOM 365 OH TYR A 25 -14.592 5.044 -2.702 1.00 0.00 O ATOM 0 H TYR A 25 -9.500 8.593 -2.205 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.533 6.785 -1.105 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.392 6.243 0.273 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.792 7.881 -0.205 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.569 4.315 -0.769 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.675 8.336 -1.649 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -12.774 3.509 -1.718 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -13.876 7.515 -2.595 1.00 0.00 H new ATOM 0 HH TYR A 25 -15.117 5.810 -3.014 1.00 0.00 H new ATOM 375 N LYS A 26 -8.081 4.531 -2.065 1.00 0.00 N ATOM 376 CA LYS A 26 -8.144 3.299 -2.833 1.00 0.00 C ATOM 377 C LYS A 26 -8.572 2.152 -1.916 1.00 0.00 C ATOM 378 O LYS A 26 -8.224 2.133 -0.736 1.00 0.00 O ATOM 379 CB LYS A 26 -6.817 3.048 -3.552 1.00 0.00 C ATOM 380 CG LYS A 26 -7.042 2.785 -5.043 1.00 0.00 C ATOM 381 CD LYS A 26 -7.336 1.305 -5.300 1.00 0.00 C ATOM 382 CE LYS A 26 -6.041 0.518 -5.512 1.00 0.00 C ATOM 383 NZ LYS A 26 -5.520 0.019 -4.220 1.00 0.00 N ATOM 0 H LYS A 26 -7.567 4.460 -1.187 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.896 3.378 -3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.162 3.910 -3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.311 2.195 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.873 3.392 -5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.159 3.087 -5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.885 0.888 -4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.975 1.204 -6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.224 -0.320 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.296 1.154 -5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.931 -0.822 -4.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.947 0.759 -3.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.315 -0.231 -3.598 1.00 0.00 H new ATOM 397 N VAL A 27 -9.323 1.225 -2.492 1.00 0.00 N ATOM 398 CA VAL A 27 -9.802 0.077 -1.741 1.00 0.00 C ATOM 399 C VAL A 27 -9.572 -1.195 -2.559 1.00 0.00 C ATOM 400 O VAL A 27 -10.367 -1.525 -3.438 1.00 0.00 O ATOM 401 CB VAL A 27 -11.268 0.281 -1.354 1.00 0.00 C ATOM 402 CG1 VAL A 27 -11.774 -0.876 -0.490 1.00 0.00 C ATOM 403 CG2 VAL A 27 -11.466 1.622 -0.643 1.00 0.00 C ATOM 0 H VAL A 27 -9.612 1.245 -3.470 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.245 -0.030 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.857 0.297 -2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.819 -0.706 -0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.686 -1.810 -1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.178 -0.938 0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.517 1.742 -0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.859 1.647 0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.163 2.433 -1.305 1.00 0.00 H new ATOM 413 N LEU A 28 -8.480 -1.875 -2.241 1.00 0.00 N ATOM 414 CA LEU A 28 -8.135 -3.104 -2.935 1.00 0.00 C ATOM 415 C LEU A 28 -8.739 -4.294 -2.187 1.00 0.00 C ATOM 416 O LEU A 28 -9.123 -4.172 -1.025 1.00 0.00 O ATOM 417 CB LEU A 28 -6.621 -3.203 -3.129 1.00 0.00 C ATOM 418 CG LEU A 28 -6.137 -3.348 -4.573 1.00 0.00 C ATOM 419 CD1 LEU A 28 -4.610 -3.421 -4.635 1.00 0.00 C ATOM 420 CD2 LEU A 28 -6.796 -4.550 -5.253 1.00 0.00 C ATOM 0 H LEU A 28 -7.823 -1.598 -1.512 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.562 -3.108 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.161 -2.313 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.257 -4.057 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.439 -2.459 -5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.292 -3.524 -5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.185 -2.510 -4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.263 -4.281 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.435 -4.631 -6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.545 -5.460 -4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.878 -4.417 -5.259 1.00 0.00 H new ATOM 432 N SER A 29 -8.804 -5.419 -2.884 1.00 0.00 N ATOM 433 CA SER A 29 -9.354 -6.631 -2.300 1.00 0.00 C ATOM 434 C SER A 29 -8.543 -7.846 -2.755 1.00 0.00 C ATOM 435 O SER A 29 -8.508 -8.163 -3.943 1.00 0.00 O ATOM 436 CB SER A 29 -10.827 -6.804 -2.677 1.00 0.00 C ATOM 437 OG SER A 29 -11.565 -7.467 -1.654 1.00 0.00 O ATOM 0 H SER A 29 -8.485 -5.517 -3.848 1.00 0.00 H new ATOM 0 HA SER A 29 -9.292 -6.547 -1.215 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.270 -5.826 -2.868 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.900 -7.373 -3.604 1.00 0.00 H new ATOM 0 HG SER A 29 -12.501 -7.557 -1.931 1.00 0.00 H new ATOM 443 N VAL A 30 -7.912 -8.493 -1.787 1.00 0.00 N ATOM 444 CA VAL A 30 -7.104 -9.666 -2.073 1.00 0.00 C ATOM 445 C VAL A 30 -7.207 -10.648 -0.905 1.00 0.00 C ATOM 446 O VAL A 30 -7.546 -10.258 0.211 1.00 0.00 O ATOM 447 CB VAL A 30 -5.664 -9.248 -2.378 1.00 0.00 C ATOM 448 CG1 VAL A 30 -5.628 -8.110 -3.400 1.00 0.00 C ATOM 449 CG2 VAL A 30 -4.924 -8.859 -1.097 1.00 0.00 C ATOM 0 H VAL A 30 -7.944 -8.227 -0.803 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.475 -10.178 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.151 -10.105 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.593 -7.832 -3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.100 -8.438 -4.326 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.165 -7.248 -3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.903 -8.566 -1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.437 -8.024 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.904 -9.710 -0.416 1.00 0.00 H new ATOM 459 N PRO A 31 -6.901 -11.938 -1.209 1.00 0.00 N ATOM 460 CA PRO A 31 -6.955 -12.979 -0.197 1.00 0.00 C ATOM 461 C PRO A 31 -5.760 -12.883 0.753 1.00 0.00 C ATOM 462 O PRO A 31 -4.614 -12.822 0.311 1.00 0.00 O ATOM 463 CB PRO A 31 -6.991 -14.284 -0.977 1.00 0.00 C ATOM 464 CG PRO A 31 -6.488 -13.950 -2.372 1.00 0.00 C ATOM 465 CD PRO A 31 -6.495 -12.437 -2.520 1.00 0.00 C ATOM 0 HA PRO A 31 -7.828 -12.892 0.450 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.362 -15.038 -0.505 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.002 -14.690 -1.013 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.482 -14.343 -2.519 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.124 -14.410 -3.128 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.510 -12.062 -2.799 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.189 -12.118 -3.297 1.00 0.00 H new ATOM 473 N GLU A 32 -6.069 -12.874 2.042 1.00 0.00 N ATOM 474 CA GLU A 32 -5.035 -12.786 3.059 1.00 0.00 C ATOM 475 C GLU A 32 -3.793 -13.564 2.620 1.00 0.00 C ATOM 476 O GLU A 32 -2.672 -13.074 2.747 1.00 0.00 O ATOM 477 CB GLU A 32 -5.549 -13.290 4.409 1.00 0.00 C ATOM 478 CG GLU A 32 -6.311 -14.607 4.248 1.00 0.00 C ATOM 479 CD GLU A 32 -6.845 -15.099 5.595 1.00 0.00 C ATOM 480 OE1 GLU A 32 -7.398 -14.252 6.330 1.00 0.00 O ATOM 481 OE2 GLU A 32 -6.689 -16.311 5.859 1.00 0.00 O ATOM 0 H GLU A 32 -7.021 -12.926 2.405 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.760 -11.738 3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.711 -13.432 5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.202 -12.540 4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.139 -14.470 3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.654 -15.361 3.816 1.00 0.00 H new ATOM 488 N SER A 33 -4.033 -14.765 2.114 1.00 0.00 N ATOM 489 CA SER A 33 -2.948 -15.615 1.656 1.00 0.00 C ATOM 490 C SER A 33 -2.030 -14.832 0.716 1.00 0.00 C ATOM 491 O SER A 33 -0.817 -14.791 0.918 1.00 0.00 O ATOM 492 CB SER A 33 -3.485 -16.864 0.955 1.00 0.00 C ATOM 493 OG SER A 33 -2.651 -17.999 1.171 1.00 0.00 O ATOM 0 H SER A 33 -4.964 -15.169 2.011 1.00 0.00 H new ATOM 0 HA SER A 33 -2.376 -15.937 2.526 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.490 -17.079 1.317 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.566 -16.672 -0.115 1.00 0.00 H new ATOM 0 HG SER A 33 -3.029 -18.776 0.709 1.00 0.00 H new ATOM 499 N THR A 34 -2.643 -14.230 -0.292 1.00 0.00 N ATOM 500 CA THR A 34 -1.896 -13.450 -1.264 1.00 0.00 C ATOM 501 C THR A 34 -0.943 -12.485 -0.555 1.00 0.00 C ATOM 502 O THR A 34 -1.259 -11.972 0.517 1.00 0.00 O ATOM 503 CB THR A 34 -2.901 -12.748 -2.180 1.00 0.00 C ATOM 504 OG1 THR A 34 -3.352 -13.778 -3.055 1.00 0.00 O ATOM 505 CG2 THR A 34 -2.235 -11.733 -3.111 1.00 0.00 C ATOM 0 H THR A 34 -3.649 -14.267 -0.457 1.00 0.00 H new ATOM 0 HA THR A 34 -1.263 -14.088 -1.880 1.00 0.00 H new ATOM 0 HB THR A 34 -3.654 -12.245 -1.574 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.882 -13.384 -3.778 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.992 -11.264 -3.739 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.732 -10.970 -2.517 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.505 -12.241 -3.741 1.00 0.00 H new ATOM 513 N PRO A 35 0.233 -12.263 -1.200 1.00 0.00 N ATOM 514 CA PRO A 35 1.235 -11.369 -0.643 1.00 0.00 C ATOM 515 C PRO A 35 0.822 -9.907 -0.818 1.00 0.00 C ATOM 516 O PRO A 35 0.120 -9.565 -1.769 1.00 0.00 O ATOM 517 CB PRO A 35 2.521 -11.716 -1.374 1.00 0.00 C ATOM 518 CG PRO A 35 2.100 -12.459 -2.631 1.00 0.00 C ATOM 519 CD PRO A 35 0.641 -12.854 -2.471 1.00 0.00 C ATOM 0 HA PRO A 35 1.359 -11.493 0.433 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.084 -10.816 -1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.168 -12.335 -0.753 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.231 -11.827 -3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.721 -13.343 -2.778 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.036 -12.476 -3.295 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.523 -13.938 -2.460 1.00 0.00 H new ATOM 527 N PHE A 36 1.276 -9.081 0.114 1.00 0.00 N ATOM 528 CA PHE A 36 0.963 -7.663 0.074 1.00 0.00 C ATOM 529 C PHE A 36 1.708 -6.969 -1.068 1.00 0.00 C ATOM 530 O PHE A 36 1.265 -5.934 -1.564 1.00 0.00 O ATOM 531 CB PHE A 36 1.424 -7.066 1.405 1.00 0.00 C ATOM 532 CG PHE A 36 0.641 -5.823 1.834 1.00 0.00 C ATOM 533 CD1 PHE A 36 0.895 -4.623 1.248 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.310 -5.920 2.803 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.168 -3.470 1.646 1.00 0.00 C ATOM 536 CE2 PHE A 36 -1.037 -4.767 3.201 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.783 -3.566 2.615 1.00 0.00 C ATOM 0 H PHE A 36 1.858 -9.367 0.901 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.106 -7.522 -0.087 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.335 -7.825 2.182 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.481 -6.809 1.330 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.650 -4.547 0.479 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.511 -6.873 3.269 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.370 -2.517 1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.792 -4.844 3.969 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.336 -2.689 2.918 1.00 0.00 H new ATOM 547 N THR A 37 2.826 -7.567 -1.452 1.00 0.00 N ATOM 548 CA THR A 37 3.636 -7.019 -2.527 1.00 0.00 C ATOM 549 C THR A 37 2.798 -6.853 -3.796 1.00 0.00 C ATOM 550 O THR A 37 3.024 -5.931 -4.578 1.00 0.00 O ATOM 551 CB THR A 37 4.850 -7.931 -2.716 1.00 0.00 C ATOM 552 OG1 THR A 37 5.805 -7.106 -3.378 1.00 0.00 O ATOM 553 CG2 THR A 37 4.583 -9.063 -3.709 1.00 0.00 C ATOM 0 H THR A 37 3.190 -8.425 -1.038 1.00 0.00 H new ATOM 0 HA THR A 37 3.996 -6.020 -2.281 1.00 0.00 H new ATOM 0 HB THR A 37 5.139 -8.353 -1.754 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.625 -7.619 -3.538 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.476 -9.680 -3.806 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.756 -9.675 -3.349 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.326 -8.641 -4.681 1.00 0.00 H new ATOM 561 N ALA A 38 1.847 -7.761 -3.961 1.00 0.00 N ATOM 562 CA ALA A 38 0.973 -7.727 -5.122 1.00 0.00 C ATOM 563 C ALA A 38 0.029 -6.529 -5.009 1.00 0.00 C ATOM 564 O ALA A 38 -0.273 -5.875 -6.007 1.00 0.00 O ATOM 565 CB ALA A 38 0.220 -9.054 -5.234 1.00 0.00 C ATOM 0 H ALA A 38 1.662 -8.525 -3.310 1.00 0.00 H new ATOM 0 HA ALA A 38 1.554 -7.604 -6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.435 -9.028 -6.105 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.935 -9.870 -5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.377 -9.211 -4.335 1.00 0.00 H new ATOM 571 N VAL A 39 -0.412 -6.276 -3.785 1.00 0.00 N ATOM 572 CA VAL A 39 -1.316 -5.168 -3.529 1.00 0.00 C ATOM 573 C VAL A 39 -0.715 -3.882 -4.101 1.00 0.00 C ATOM 574 O VAL A 39 -1.435 -3.043 -4.641 1.00 0.00 O ATOM 575 CB VAL A 39 -1.617 -5.073 -2.032 1.00 0.00 C ATOM 576 CG1 VAL A 39 -2.536 -3.887 -1.731 1.00 0.00 C ATOM 577 CG2 VAL A 39 -2.218 -6.379 -1.509 1.00 0.00 C ATOM 0 H VAL A 39 -0.160 -6.820 -2.960 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.271 -5.331 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.674 -4.906 -1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.734 -3.843 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.054 -2.963 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.476 -4.009 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.422 -6.284 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.147 -6.590 -2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.514 -7.195 -1.672 1.00 0.00 H new ATOM 587 N LEU A 40 0.598 -3.768 -3.963 1.00 0.00 N ATOM 588 CA LEU A 40 1.303 -2.599 -4.460 1.00 0.00 C ATOM 589 C LEU A 40 1.138 -2.516 -5.978 1.00 0.00 C ATOM 590 O LEU A 40 0.545 -1.568 -6.491 1.00 0.00 O ATOM 591 CB LEU A 40 2.763 -2.619 -4.000 1.00 0.00 C ATOM 592 CG LEU A 40 3.714 -1.682 -4.747 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.181 -0.248 -4.750 1.00 0.00 C ATOM 594 CD2 LEU A 40 5.130 -1.766 -4.172 1.00 0.00 C ATOM 0 H LEU A 40 1.192 -4.466 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 40 0.873 -1.689 -4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.793 -2.366 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.139 -3.638 -4.095 1.00 0.00 H new ATOM 0 HG LEU A 40 3.768 -2.007 -5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.876 0.397 -5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.208 -0.222 -5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.079 0.104 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.786 -1.090 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.113 -1.481 -3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.501 -2.787 -4.265 1.00 0.00 H new ATOM 606 N LYS A 41 1.674 -3.521 -6.656 1.00 0.00 N ATOM 607 CA LYS A 41 1.594 -3.573 -8.106 1.00 0.00 C ATOM 608 C LYS A 41 0.158 -3.275 -8.543 1.00 0.00 C ATOM 609 O LYS A 41 -0.066 -2.453 -9.430 1.00 0.00 O ATOM 610 CB LYS A 41 2.131 -4.908 -8.624 1.00 0.00 C ATOM 611 CG LYS A 41 3.658 -4.953 -8.546 1.00 0.00 C ATOM 612 CD LYS A 41 4.206 -6.210 -9.225 1.00 0.00 C ATOM 613 CE LYS A 41 4.665 -7.237 -8.188 1.00 0.00 C ATOM 614 NZ LYS A 41 3.727 -8.381 -8.141 1.00 0.00 N ATOM 0 H LYS A 41 2.165 -4.306 -6.228 1.00 0.00 H new ATOM 0 HA LYS A 41 2.229 -2.807 -8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.709 -5.725 -8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.812 -5.057 -9.655 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.076 -4.066 -9.023 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.973 -4.932 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.437 -6.649 -9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.041 -5.943 -9.872 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.666 -7.590 -8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.726 -6.768 -7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.053 -9.069 -7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.778 -8.042 -7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.689 -8.838 -9.075 1.00 0.00 H new ATOM 628 N PHE A 42 -0.776 -3.960 -7.901 1.00 0.00 N ATOM 629 CA PHE A 42 -2.184 -3.779 -8.213 1.00 0.00 C ATOM 630 C PHE A 42 -2.624 -2.339 -7.947 1.00 0.00 C ATOM 631 O PHE A 42 -3.069 -1.643 -8.859 1.00 0.00 O ATOM 632 CB PHE A 42 -2.970 -4.718 -7.295 1.00 0.00 C ATOM 633 CG PHE A 42 -4.360 -5.081 -7.819 1.00 0.00 C ATOM 634 CD1 PHE A 42 -5.212 -4.101 -8.223 1.00 0.00 C ATOM 635 CD2 PHE A 42 -4.745 -6.384 -7.881 1.00 0.00 C ATOM 636 CE1 PHE A 42 -6.503 -4.438 -8.710 1.00 0.00 C ATOM 637 CE2 PHE A 42 -6.036 -6.721 -8.368 1.00 0.00 C ATOM 638 CZ PHE A 42 -6.887 -5.741 -8.772 1.00 0.00 C ATOM 0 H PHE A 42 -0.586 -4.641 -7.166 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.362 -3.996 -9.266 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.396 -5.634 -7.152 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.073 -4.250 -6.316 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.907 -3.066 -8.174 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.069 -7.163 -7.560 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.179 -3.660 -9.031 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.341 -7.756 -8.417 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.869 -5.997 -9.142 1.00 0.00 H new ATOM 648 N ALA A 43 -2.484 -1.933 -6.694 1.00 0.00 N ATOM 649 CA ALA A 43 -2.861 -0.587 -6.296 1.00 0.00 C ATOM 650 C ALA A 43 -2.361 0.409 -7.344 1.00 0.00 C ATOM 651 O ALA A 43 -3.121 1.254 -7.815 1.00 0.00 O ATOM 652 CB ALA A 43 -2.308 -0.293 -4.900 1.00 0.00 C ATOM 0 H ALA A 43 -2.115 -2.513 -5.940 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.946 -0.492 -6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.591 0.717 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.717 -1.010 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.221 -0.376 -4.914 1.00 0.00 H new ATOM 658 N ALA A 44 -1.086 0.277 -7.678 1.00 0.00 N ATOM 659 CA ALA A 44 -0.475 1.155 -8.661 1.00 0.00 C ATOM 660 C ALA A 44 -1.374 1.234 -9.896 1.00 0.00 C ATOM 661 O ALA A 44 -1.936 2.288 -10.193 1.00 0.00 O ATOM 662 CB ALA A 44 0.930 0.649 -8.995 1.00 0.00 C ATOM 0 H ALA A 44 -0.459 -0.425 -7.285 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.372 2.164 -8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.388 1.308 -9.733 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.538 0.639 -8.090 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.866 -0.361 -9.401 1.00 0.00 H new ATOM 668 N GLU A 45 -1.483 0.107 -10.583 1.00 0.00 N ATOM 669 CA GLU A 45 -2.305 0.035 -11.779 1.00 0.00 C ATOM 670 C GLU A 45 -3.622 0.783 -11.564 1.00 0.00 C ATOM 671 O GLU A 45 -4.122 1.442 -12.474 1.00 0.00 O ATOM 672 CB GLU A 45 -2.558 -1.418 -12.184 1.00 0.00 C ATOM 673 CG GLU A 45 -2.150 -1.661 -13.639 1.00 0.00 C ATOM 674 CD GLU A 45 -3.218 -2.468 -14.380 1.00 0.00 C ATOM 675 OE1 GLU A 45 -3.820 -3.348 -13.728 1.00 0.00 O ATOM 676 OE2 GLU A 45 -3.408 -2.186 -15.583 1.00 0.00 O ATOM 0 H GLU A 45 -1.015 -0.765 -10.334 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.767 0.516 -12.596 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.997 -2.085 -11.529 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.613 -1.657 -12.054 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.996 -0.706 -14.142 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.200 -2.194 -13.670 1.00 0.00 H new ATOM 683 N GLU A 46 -4.147 0.654 -10.354 1.00 0.00 N ATOM 684 CA GLU A 46 -5.397 1.309 -10.007 1.00 0.00 C ATOM 685 C GLU A 46 -5.238 2.829 -10.080 1.00 0.00 C ATOM 686 O GLU A 46 -6.070 3.516 -10.669 1.00 0.00 O ATOM 687 CB GLU A 46 -5.878 0.874 -8.622 1.00 0.00 C ATOM 688 CG GLU A 46 -7.165 0.051 -8.721 1.00 0.00 C ATOM 689 CD GLU A 46 -8.397 0.958 -8.713 1.00 0.00 C ATOM 690 OE1 GLU A 46 -8.414 1.900 -9.535 1.00 0.00 O ATOM 691 OE2 GLU A 46 -9.294 0.689 -7.885 1.00 0.00 O ATOM 0 H GLU A 46 -3.730 0.106 -9.602 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.155 1.008 -10.730 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.102 0.285 -8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.051 1.753 -8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.152 -0.543 -9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.219 -0.649 -7.887 1.00 0.00 H new ATOM 698 N PHE A 47 -4.163 3.309 -9.472 1.00 0.00 N ATOM 699 CA PHE A 47 -3.884 4.735 -9.461 1.00 0.00 C ATOM 700 C PHE A 47 -3.161 5.163 -10.740 1.00 0.00 C ATOM 701 O PHE A 47 -2.666 6.285 -10.832 1.00 0.00 O ATOM 702 CB PHE A 47 -2.973 5.003 -8.261 1.00 0.00 C ATOM 703 CG PHE A 47 -3.725 5.259 -6.954 1.00 0.00 C ATOM 704 CD1 PHE A 47 -4.665 6.241 -6.891 1.00 0.00 C ATOM 705 CD2 PHE A 47 -3.454 4.506 -5.854 1.00 0.00 C ATOM 706 CE1 PHE A 47 -5.363 6.479 -5.678 1.00 0.00 C ATOM 707 CE2 PHE A 47 -4.153 4.744 -4.641 1.00 0.00 C ATOM 708 CZ PHE A 47 -5.092 5.726 -4.578 1.00 0.00 C ATOM 0 H PHE A 47 -3.475 2.736 -8.984 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.817 5.296 -9.398 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.308 4.150 -8.125 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.344 5.865 -8.481 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.880 6.839 -7.764 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.707 3.727 -5.903 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.109 7.258 -5.628 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.939 4.145 -3.768 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.622 5.908 -3.655 1.00 0.00 H new ATOM 718 N LYS A 48 -3.124 4.246 -11.695 1.00 0.00 N ATOM 719 CA LYS A 48 -2.471 4.514 -12.965 1.00 0.00 C ATOM 720 C LYS A 48 -1.069 5.068 -12.705 1.00 0.00 C ATOM 721 O LYS A 48 -0.755 6.187 -13.109 1.00 0.00 O ATOM 722 CB LYS A 48 -3.341 5.424 -13.834 1.00 0.00 C ATOM 723 CG LYS A 48 -4.363 4.610 -14.630 1.00 0.00 C ATOM 724 CD LYS A 48 -4.156 4.792 -16.135 1.00 0.00 C ATOM 725 CE LYS A 48 -3.095 3.825 -16.664 1.00 0.00 C ATOM 726 NZ LYS A 48 -3.710 2.821 -17.560 1.00 0.00 N ATOM 0 H LYS A 48 -3.536 3.316 -11.615 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.350 3.592 -13.533 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.858 6.148 -13.204 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.710 5.991 -14.518 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.273 3.555 -14.372 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.372 4.920 -14.358 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.098 4.625 -16.658 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.853 5.818 -16.342 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.326 4.379 -17.202 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.603 3.324 -15.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.976 2.173 -17.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.428 2.281 -17.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.159 3.303 -18.365 1.00 0.00 H new ATOM 740 N VAL A 49 -0.263 4.260 -12.031 1.00 0.00 N ATOM 741 CA VAL A 49 1.098 4.656 -11.713 1.00 0.00 C ATOM 742 C VAL A 49 2.046 3.493 -12.012 1.00 0.00 C ATOM 743 O VAL A 49 1.615 2.345 -12.110 1.00 0.00 O ATOM 744 CB VAL A 49 1.178 5.134 -10.261 1.00 0.00 C ATOM 745 CG1 VAL A 49 0.724 6.590 -10.138 1.00 0.00 C ATOM 746 CG2 VAL A 49 0.363 4.225 -9.339 1.00 0.00 C ATOM 0 H VAL A 49 -0.527 3.333 -11.697 1.00 0.00 H new ATOM 0 HA VAL A 49 1.407 5.496 -12.336 1.00 0.00 H new ATOM 0 HB VAL A 49 2.220 5.081 -9.947 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.790 6.905 -9.097 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.365 7.224 -10.751 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.307 6.680 -10.479 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.437 4.587 -8.313 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.681 4.231 -9.652 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.752 3.208 -9.394 1.00 0.00 H new ATOM 756 N PRO A 50 3.354 3.839 -12.153 1.00 0.00 N ATOM 757 CA PRO A 50 4.367 2.838 -12.439 1.00 0.00 C ATOM 758 C PRO A 50 4.685 2.008 -11.194 1.00 0.00 C ATOM 759 O PRO A 50 4.838 2.554 -10.102 1.00 0.00 O ATOM 760 CB PRO A 50 5.563 3.623 -12.951 1.00 0.00 C ATOM 761 CG PRO A 50 5.346 5.057 -12.497 1.00 0.00 C ATOM 762 CD PRO A 50 3.901 5.189 -12.044 1.00 0.00 C ATOM 0 HA PRO A 50 4.040 2.109 -13.180 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.494 3.223 -12.549 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.633 3.564 -14.037 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.026 5.306 -11.682 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.556 5.751 -13.311 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.839 5.560 -11.021 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.352 5.891 -12.672 1.00 0.00 H new ATOM 770 N ALA A 51 4.775 0.702 -11.399 1.00 0.00 N ATOM 771 CA ALA A 51 5.072 -0.209 -10.306 1.00 0.00 C ATOM 772 C ALA A 51 6.589 -0.343 -10.158 1.00 0.00 C ATOM 773 O ALA A 51 7.124 -1.450 -10.196 1.00 0.00 O ATOM 774 CB ALA A 51 4.389 -1.554 -10.562 1.00 0.00 C ATOM 0 H ALA A 51 4.647 0.253 -12.306 1.00 0.00 H new ATOM 0 HA ALA A 51 4.682 0.180 -9.365 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.612 -2.237 -9.742 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.311 -1.408 -10.630 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.757 -1.977 -11.497 1.00 0.00 H new ATOM 780 N ALA A 52 7.239 0.799 -9.993 1.00 0.00 N ATOM 781 CA ALA A 52 8.684 0.823 -9.840 1.00 0.00 C ATOM 782 C ALA A 52 9.074 1.966 -8.900 1.00 0.00 C ATOM 783 O ALA A 52 9.762 1.748 -7.905 1.00 0.00 O ATOM 784 CB ALA A 52 9.342 0.948 -11.215 1.00 0.00 C ATOM 0 H ALA A 52 6.792 1.715 -9.962 1.00 0.00 H new ATOM 0 HA ALA A 52 9.038 -0.106 -9.394 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.426 0.966 -11.099 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.057 0.097 -11.833 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.013 1.870 -11.693 1.00 0.00 H new ATOM 790 N THR A 53 8.617 3.159 -9.251 1.00 0.00 N ATOM 791 CA THR A 53 8.909 4.337 -8.451 1.00 0.00 C ATOM 792 C THR A 53 7.806 4.567 -7.417 1.00 0.00 C ATOM 793 O THR A 53 7.505 5.707 -7.068 1.00 0.00 O ATOM 794 CB THR A 53 9.106 5.518 -9.404 1.00 0.00 C ATOM 795 OG1 THR A 53 7.872 5.601 -10.112 1.00 0.00 O ATOM 796 CG2 THR A 53 10.141 5.227 -10.491 1.00 0.00 C ATOM 0 H THR A 53 8.047 3.336 -10.078 1.00 0.00 H new ATOM 0 HA THR A 53 9.826 4.208 -7.876 1.00 0.00 H new ATOM 0 HB THR A 53 9.414 6.396 -8.836 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.911 6.343 -10.751 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.242 6.097 -11.139 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.103 5.006 -10.028 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.817 4.370 -11.082 1.00 0.00 H new ATOM 804 N SER A 54 7.232 3.465 -6.955 1.00 0.00 N ATOM 805 CA SER A 54 6.169 3.532 -5.968 1.00 0.00 C ATOM 806 C SER A 54 6.443 2.542 -4.835 1.00 0.00 C ATOM 807 O SER A 54 7.160 1.561 -5.023 1.00 0.00 O ATOM 808 CB SER A 54 4.807 3.247 -6.605 1.00 0.00 C ATOM 809 OG SER A 54 4.702 1.900 -7.058 1.00 0.00 O ATOM 0 H SER A 54 7.484 2.521 -7.247 1.00 0.00 H new ATOM 0 HA SER A 54 6.145 4.543 -5.560 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.018 3.448 -5.880 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.650 3.925 -7.444 1.00 0.00 H new ATOM 0 HG SER A 54 4.740 1.880 -8.037 1.00 0.00 H new ATOM 815 N ALA A 55 5.857 2.832 -3.683 1.00 0.00 N ATOM 816 CA ALA A 55 6.029 1.979 -2.519 1.00 0.00 C ATOM 817 C ALA A 55 4.943 2.301 -1.491 1.00 0.00 C ATOM 818 O ALA A 55 4.439 3.422 -1.444 1.00 0.00 O ATOM 819 CB ALA A 55 7.439 2.164 -1.955 1.00 0.00 C ATOM 0 H ALA A 55 5.262 3.646 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 55 5.922 0.929 -2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.568 1.524 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.173 1.894 -2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.582 3.205 -1.666 1.00 0.00 H new ATOM 825 N ILE A 56 4.613 1.297 -0.692 1.00 0.00 N ATOM 826 CA ILE A 56 3.595 1.458 0.332 1.00 0.00 C ATOM 827 C ILE A 56 4.257 1.432 1.711 1.00 0.00 C ATOM 828 O ILE A 56 5.088 0.568 1.989 1.00 0.00 O ATOM 829 CB ILE A 56 2.491 0.413 0.160 1.00 0.00 C ATOM 830 CG1 ILE A 56 1.656 0.699 -1.089 1.00 0.00 C ATOM 831 CG2 ILE A 56 1.625 0.318 1.419 1.00 0.00 C ATOM 832 CD1 ILE A 56 0.935 -0.563 -1.567 1.00 0.00 C ATOM 0 H ILE A 56 5.033 0.368 -0.733 1.00 0.00 H new ATOM 0 HA ILE A 56 3.104 2.426 0.232 1.00 0.00 H new ATOM 0 HB ILE A 56 2.961 -0.560 0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.926 1.479 -0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.300 1.077 -1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.848 -0.432 1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.247 0.033 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.163 1.285 1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.348 -0.332 -2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.669 -1.333 -1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.273 -0.924 -0.780 1.00 0.00 H new ATOM 844 N ILE A 57 3.865 2.389 2.540 1.00 0.00 N ATOM 845 CA ILE A 57 4.410 2.486 3.883 1.00 0.00 C ATOM 846 C ILE A 57 3.298 2.897 4.851 1.00 0.00 C ATOM 847 O ILE A 57 2.272 3.431 4.433 1.00 0.00 O ATOM 848 CB ILE A 57 5.620 3.421 3.903 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.231 4.832 3.455 1.00 0.00 C ATOM 850 CG2 ILE A 57 6.768 2.851 3.068 1.00 0.00 C ATOM 851 CD1 ILE A 57 6.232 5.867 3.973 1.00 0.00 C ATOM 0 H ILE A 57 3.176 3.104 2.307 1.00 0.00 H new ATOM 0 HA ILE A 57 4.780 1.516 4.216 1.00 0.00 H new ATOM 0 HB ILE A 57 5.976 3.496 4.931 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.190 4.873 2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.233 5.071 3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.616 3.536 3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.067 1.884 3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.440 2.726 2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.933 6.861 3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.253 5.840 5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.225 5.639 3.585 1.00 0.00 H new ATOM 863 N THR A 58 3.541 2.633 6.126 1.00 0.00 N ATOM 864 CA THR A 58 2.574 2.969 7.157 1.00 0.00 C ATOM 865 C THR A 58 2.843 4.372 7.704 1.00 0.00 C ATOM 866 O THR A 58 3.996 4.768 7.868 1.00 0.00 O ATOM 867 CB THR A 58 2.627 1.878 8.229 1.00 0.00 C ATOM 868 OG1 THR A 58 3.853 2.122 8.912 1.00 0.00 O ATOM 869 CG2 THR A 58 2.804 0.480 7.633 1.00 0.00 C ATOM 0 H THR A 58 4.394 2.190 6.469 1.00 0.00 H new ATOM 0 HA THR A 58 1.562 3.000 6.754 1.00 0.00 H new ATOM 0 HB THR A 58 1.713 1.907 8.822 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.581 2.196 8.260 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.835 -0.257 8.436 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.968 0.259 6.970 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.735 0.441 7.068 1.00 0.00 H new ATOM 877 N ASN A 59 1.759 5.086 7.972 1.00 0.00 N ATOM 878 CA ASN A 59 1.864 6.437 8.497 1.00 0.00 C ATOM 879 C ASN A 59 2.892 7.220 7.678 1.00 0.00 C ATOM 880 O ASN A 59 3.518 8.149 8.185 1.00 0.00 O ATOM 881 CB ASN A 59 2.330 6.427 9.955 1.00 0.00 C ATOM 882 CG ASN A 59 1.572 5.374 10.765 1.00 0.00 C ATOM 883 OD1 ASN A 59 2.146 4.590 11.504 1.00 0.00 O ATOM 884 ND2 ASN A 59 0.254 5.399 10.587 1.00 0.00 N ATOM 0 H ASN A 59 0.804 4.754 7.835 1.00 0.00 H new ATOM 0 HA ASN A 59 0.879 6.899 8.436 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.400 6.223 9.997 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.176 7.411 10.397 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.340 4.736 11.084 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.162 6.082 9.954 1.00 0.00 H new ATOM 891 N ASP A 60 3.034 6.815 6.424 1.00 0.00 N ATOM 892 CA ASP A 60 3.975 7.468 5.529 1.00 0.00 C ATOM 893 C ASP A 60 5.364 7.469 6.170 1.00 0.00 C ATOM 894 O ASP A 60 6.247 8.212 5.745 1.00 0.00 O ATOM 895 CB ASP A 60 3.572 8.921 5.270 1.00 0.00 C ATOM 896 CG ASP A 60 4.009 9.915 6.348 1.00 0.00 C ATOM 897 OD1 ASP A 60 5.203 10.285 6.328 1.00 0.00 O ATOM 898 OD2 ASP A 60 3.140 10.282 7.168 1.00 0.00 O ATOM 0 H ASP A 60 2.514 6.043 6.007 1.00 0.00 H new ATOM 0 HA ASP A 60 3.978 6.922 4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.994 9.235 4.315 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.488 8.969 5.170 1.00 0.00 H new ATOM 903 N GLY A 61 5.514 6.628 7.183 1.00 0.00 N ATOM 904 CA GLY A 61 6.781 6.523 7.887 1.00 0.00 C ATOM 905 C GLY A 61 7.364 5.114 7.761 1.00 0.00 C ATOM 906 O GLY A 61 8.155 4.844 6.858 1.00 0.00 O ATOM 0 H GLY A 61 4.779 6.013 7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.486 7.250 7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.638 6.768 8.939 1.00 0.00 H new ATOM 910 N ILE A 62 6.949 4.253 8.679 1.00 0.00 N ATOM 911 CA ILE A 62 7.420 2.878 8.681 1.00 0.00 C ATOM 912 C ILE A 62 7.016 2.203 7.369 1.00 0.00 C ATOM 913 O ILE A 62 5.915 2.423 6.867 1.00 0.00 O ATOM 914 CB ILE A 62 6.924 2.144 9.929 1.00 0.00 C ATOM 915 CG1 ILE A 62 7.398 2.847 11.203 1.00 0.00 C ATOM 916 CG2 ILE A 62 7.336 0.671 9.899 1.00 0.00 C ATOM 917 CD1 ILE A 62 6.634 2.338 12.427 1.00 0.00 C ATOM 0 H ILE A 62 6.293 4.481 9.426 1.00 0.00 H new ATOM 0 HA ILE A 62 8.508 2.848 8.733 1.00 0.00 H new ATOM 0 HB ILE A 62 5.834 2.173 9.932 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.466 2.678 11.340 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.256 3.923 11.103 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.971 0.173 10.797 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.908 0.191 9.019 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.423 0.598 9.860 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.990 2.854 13.319 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.569 2.531 12.297 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.798 1.266 12.538 1.00 0.00 H new ATOM 929 N GLY A 63 7.928 1.393 6.852 1.00 0.00 N ATOM 930 CA GLY A 63 7.680 0.684 5.608 1.00 0.00 C ATOM 931 C GLY A 63 6.944 -0.632 5.865 1.00 0.00 C ATOM 932 O GLY A 63 6.327 -0.808 6.915 1.00 0.00 O ATOM 0 H GLY A 63 8.840 1.212 7.272 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.090 1.311 4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.626 0.484 5.105 1.00 0.00 H new ATOM 936 N ILE A 64 7.031 -1.523 4.887 1.00 0.00 N ATOM 937 CA ILE A 64 6.381 -2.817 4.994 1.00 0.00 C ATOM 938 C ILE A 64 7.280 -3.888 4.372 1.00 0.00 C ATOM 939 O ILE A 64 7.970 -3.628 3.388 1.00 0.00 O ATOM 940 CB ILE A 64 4.978 -2.764 4.386 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.167 -1.609 4.979 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.261 -4.106 4.542 1.00 0.00 C ATOM 943 CD1 ILE A 64 2.722 -1.640 4.479 1.00 0.00 C ATOM 0 H ILE A 64 7.542 -1.373 4.017 1.00 0.00 H new ATOM 0 HA ILE A 64 6.240 -3.087 6.041 1.00 0.00 H new ATOM 0 HB ILE A 64 5.076 -2.574 3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.180 -1.672 6.067 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.629 -0.659 4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.266 -4.040 4.101 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.832 -4.884 4.035 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.174 -4.351 5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.168 -0.809 4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.711 -1.553 3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.256 -2.581 4.772 1.00 0.00 H new ATOM 955 N ASN A 65 7.242 -5.069 4.973 1.00 0.00 N ATOM 956 CA ASN A 65 8.044 -6.180 4.490 1.00 0.00 C ATOM 957 C ASN A 65 7.121 -7.324 4.066 1.00 0.00 C ATOM 958 O ASN A 65 6.524 -7.990 4.910 1.00 0.00 O ATOM 959 CB ASN A 65 8.974 -6.704 5.586 1.00 0.00 C ATOM 960 CG ASN A 65 10.415 -6.802 5.081 1.00 0.00 C ATOM 961 OD1 ASN A 65 11.312 -6.118 5.547 1.00 0.00 O ATOM 962 ND2 ASN A 65 10.587 -7.689 4.105 1.00 0.00 N ATOM 0 H ASN A 65 6.668 -5.280 5.790 1.00 0.00 H new ATOM 0 HA ASN A 65 8.640 -5.825 3.649 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.932 -6.042 6.451 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.634 -7.685 5.919 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.513 -7.829 3.701 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.793 -8.229 3.761 1.00 0.00 H new ATOM 969 N PRO A 66 7.030 -7.522 2.724 1.00 0.00 N ATOM 970 CA PRO A 66 6.190 -8.574 2.177 1.00 0.00 C ATOM 971 C PRO A 66 6.836 -9.947 2.371 1.00 0.00 C ATOM 972 O PRO A 66 6.974 -10.712 1.418 1.00 0.00 O ATOM 973 CB PRO A 66 6.002 -8.207 0.714 1.00 0.00 C ATOM 974 CG PRO A 66 7.115 -7.226 0.384 1.00 0.00 C ATOM 975 CD PRO A 66 7.723 -6.752 1.694 1.00 0.00 C ATOM 0 HA PRO A 66 5.227 -8.649 2.682 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.060 -9.091 0.079 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.023 -7.758 0.547 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.873 -7.703 -0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.724 -6.381 -0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.798 -6.933 1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.576 -5.681 1.834 1.00 0.00 H new ATOM 983 N ALA A 67 7.214 -10.218 3.612 1.00 0.00 N ATOM 984 CA ALA A 67 7.841 -11.486 3.943 1.00 0.00 C ATOM 985 C ALA A 67 6.759 -12.516 4.270 1.00 0.00 C ATOM 986 O ALA A 67 7.023 -13.717 4.285 1.00 0.00 O ATOM 987 CB ALA A 67 8.822 -11.284 5.100 1.00 0.00 C ATOM 0 H ALA A 67 7.098 -9.581 4.400 1.00 0.00 H new ATOM 0 HA ALA A 67 8.411 -11.865 3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.292 -12.235 5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.588 -10.566 4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.285 -10.906 5.970 1.00 0.00 H new ATOM 993 N GLN A 68 5.562 -12.009 4.525 1.00 0.00 N ATOM 994 CA GLN A 68 4.438 -12.870 4.851 1.00 0.00 C ATOM 995 C GLN A 68 3.248 -12.557 3.942 1.00 0.00 C ATOM 996 O GLN A 68 3.357 -11.737 3.031 1.00 0.00 O ATOM 997 CB GLN A 68 4.051 -12.732 6.326 1.00 0.00 C ATOM 998 CG GLN A 68 4.110 -11.271 6.774 1.00 0.00 C ATOM 999 CD GLN A 68 5.538 -10.870 7.152 1.00 0.00 C ATOM 1000 OE1 GLN A 68 6.329 -11.668 7.628 1.00 0.00 O ATOM 1001 NE2 GLN A 68 5.823 -9.593 6.913 1.00 0.00 N ATOM 0 H GLN A 68 5.346 -11.012 4.512 1.00 0.00 H new ATOM 0 HA GLN A 68 4.738 -13.904 4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.045 -13.123 6.480 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.723 -13.332 6.940 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.747 -10.627 5.973 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.449 -11.122 7.627 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.114 -8.978 6.513 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.751 -9.228 7.130 1.00 0.00 H new ATOM 1010 N THR A 69 2.139 -13.227 4.219 1.00 0.00 N ATOM 1011 CA THR A 69 0.930 -13.031 3.437 1.00 0.00 C ATOM 1012 C THR A 69 0.343 -11.644 3.703 1.00 0.00 C ATOM 1013 O THR A 69 0.478 -11.109 4.802 1.00 0.00 O ATOM 1014 CB THR A 69 -0.034 -14.173 3.764 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.474 -13.888 5.089 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.676 -15.522 3.889 1.00 0.00 C ATOM 0 H THR A 69 2.052 -13.907 4.975 1.00 0.00 H new ATOM 0 HA THR A 69 1.140 -13.060 2.368 1.00 0.00 H new ATOM 0 HB THR A 69 -0.797 -14.236 2.989 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.218 -14.482 5.322 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.054 -16.297 4.122 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.172 -15.761 2.948 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.417 -15.471 4.687 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.298 -11.102 2.677 1.00 0.00 N ATOM 1025 CA ALA A 70 -0.907 -9.787 2.786 1.00 0.00 C ATOM 1026 C ALA A 70 -1.695 -9.702 4.095 1.00 0.00 C ATOM 1027 O ALA A 70 -1.460 -8.809 4.907 1.00 0.00 O ATOM 1028 CB ALA A 70 -1.784 -9.527 1.559 1.00 0.00 C ATOM 0 H ALA A 70 -0.409 -11.549 1.767 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.142 -9.010 2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.241 -8.541 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.172 -9.570 0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.565 -10.285 1.503 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.613 -10.642 4.258 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.437 -10.685 5.454 1.00 0.00 C ATOM 1036 C GLY A 71 -2.573 -10.679 6.716 1.00 0.00 C ATOM 1037 O GLY A 71 -3.046 -10.327 7.795 1.00 0.00 O ATOM 0 H GLY A 71 -2.805 -11.381 3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.111 -9.828 5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.059 -11.580 5.439 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.320 -11.073 6.538 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.385 -11.118 7.649 1.00 0.00 C ATOM 1043 C ASN A 72 0.428 -9.822 7.679 1.00 0.00 C ATOM 1044 O ASN A 72 1.008 -9.473 8.705 1.00 0.00 O ATOM 1045 CB ASN A 72 0.592 -12.286 7.500 1.00 0.00 C ATOM 1046 CG ASN A 72 0.118 -13.503 8.297 1.00 0.00 C ATOM 1047 OD1 ASN A 72 -0.113 -13.442 9.494 1.00 0.00 O ATOM 1048 ND2 ASN A 72 -0.012 -14.608 7.570 1.00 0.00 N ATOM 0 H ASN A 72 -0.931 -11.364 5.641 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.959 -11.243 8.567 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.689 -12.552 6.447 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.581 -11.984 7.845 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.322 -15.474 8.010 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.198 -14.590 6.572 1.00 0.00 H new ATOM 1055 N VAL A 73 0.443 -9.145 6.540 1.00 0.00 N ATOM 1056 CA VAL A 73 1.176 -7.896 6.422 1.00 0.00 C ATOM 1057 C VAL A 73 0.263 -6.735 6.825 1.00 0.00 C ATOM 1058 O VAL A 73 0.667 -5.861 7.591 1.00 0.00 O ATOM 1059 CB VAL A 73 1.738 -7.750 5.007 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.384 -6.376 4.812 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.730 -8.871 4.693 1.00 0.00 C ATOM 0 H VAL A 73 -0.041 -9.438 5.691 1.00 0.00 H new ATOM 0 HA VAL A 73 2.031 -7.889 7.099 1.00 0.00 H new ATOM 0 HB VAL A 73 0.907 -7.832 4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.775 -6.299 3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.639 -5.597 4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.199 -6.252 5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.115 -8.744 3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.557 -8.835 5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.227 -9.835 4.771 1.00 0.00 H new ATOM 1071 N PHE A 74 -0.949 -6.765 6.292 1.00 0.00 N ATOM 1072 CA PHE A 74 -1.922 -5.726 6.587 1.00 0.00 C ATOM 1073 C PHE A 74 -2.405 -5.823 8.035 1.00 0.00 C ATOM 1074 O PHE A 74 -3.075 -4.918 8.532 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.110 -5.948 5.649 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.301 -6.646 6.308 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.141 -7.871 6.879 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.520 -6.043 6.324 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.247 -8.519 7.490 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.625 -6.691 6.936 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.465 -7.915 7.507 1.00 0.00 C ATOM 0 H PHE A 74 -1.280 -7.492 5.658 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.472 -4.743 6.448 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.437 -4.984 5.259 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.780 -6.541 4.796 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.173 -8.350 6.867 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.647 -5.071 5.871 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.121 -9.492 7.941 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.593 -6.212 6.948 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.305 -8.407 7.974 1.00 0.00 H new ATOM 1091 N LEU A 75 -2.047 -6.928 8.673 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.436 -7.154 10.054 1.00 0.00 C ATOM 1093 C LEU A 75 -1.337 -6.631 10.981 1.00 0.00 C ATOM 1094 O LEU A 75 -1.626 -6.025 12.012 1.00 0.00 O ATOM 1095 CB LEU A 75 -2.781 -8.628 10.279 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.479 -8.959 11.600 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -4.986 -9.126 11.396 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -2.850 -10.188 12.259 1.00 0.00 C ATOM 0 H LEU A 75 -1.492 -7.676 8.258 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.344 -6.598 10.290 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.419 -8.960 9.460 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.861 -9.209 10.222 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.337 -8.120 12.282 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.458 -9.361 12.350 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.405 -8.200 11.002 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.170 -9.936 10.691 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.364 -10.402 13.196 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.940 -11.045 11.592 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.796 -9.994 12.460 1.00 0.00 H new ATOM 1110 N LYS A 76 -0.100 -6.884 10.581 1.00 0.00 N ATOM 1111 CA LYS A 76 1.044 -6.446 11.363 1.00 0.00 C ATOM 1112 C LYS A 76 1.339 -4.978 11.049 1.00 0.00 C ATOM 1113 O LYS A 76 1.869 -4.254 11.891 1.00 0.00 O ATOM 1114 CB LYS A 76 2.237 -7.376 11.134 1.00 0.00 C ATOM 1115 CG LYS A 76 2.857 -7.143 9.754 1.00 0.00 C ATOM 1116 CD LYS A 76 4.384 -7.208 9.821 1.00 0.00 C ATOM 1117 CE LYS A 76 4.850 -8.511 10.473 1.00 0.00 C ATOM 1118 NZ LYS A 76 5.942 -8.247 11.436 1.00 0.00 N ATOM 0 H LYS A 76 0.136 -7.387 9.725 1.00 0.00 H new ATOM 0 HA LYS A 76 0.823 -6.506 12.429 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.987 -7.208 11.907 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.916 -8.414 11.222 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.488 -7.893 9.054 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.547 -6.170 9.372 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.799 -7.132 8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.763 -6.358 10.388 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.014 -8.988 10.984 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.193 -9.206 9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.247 -9.142 11.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.745 -7.812 10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.603 -7.601 12.177 1.00 0.00 H new ATOM 1132 N HIS A 77 0.983 -4.583 9.836 1.00 0.00 N ATOM 1133 CA HIS A 77 1.203 -3.214 9.400 1.00 0.00 C ATOM 1134 C HIS A 77 -0.101 -2.422 9.519 1.00 0.00 C ATOM 1135 O HIS A 77 -0.091 -1.262 9.930 1.00 0.00 O ATOM 1136 CB HIS A 77 1.790 -3.181 7.988 1.00 0.00 C ATOM 1137 CG HIS A 77 3.148 -3.830 7.872 1.00 0.00 C ATOM 1138 ND1 HIS A 77 3.505 -5.085 7.475 1.00 0.00 N flip ATOM 1139 CD2 HIS A 77 4.324 -3.170 8.185 1.00 0.00 C flip ATOM 1140 CE1 HIS A 77 4.827 -5.187 7.541 1.00 0.00 C flip ATOM 1141 NE2 HIS A 77 5.336 -4.000 7.981 1.00 0.00 N flip ATOM 0 H HIS A 77 0.544 -5.187 9.141 1.00 0.00 H new ATOM 0 HA HIS A 77 1.938 -2.736 10.047 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.101 -3.681 7.307 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.865 -2.144 7.661 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.403 -2.152 8.536 1.00 0.00 H new ATOM 0 HE1 HIS A 77 5.404 -6.064 7.288 1.00 0.00 H new ATOM 0 HE2 HIS A 77 6.323 -3.789 8.127 1.00 0.00 H new ATOM 1149 N GLY A 78 -1.191 -3.079 9.152 1.00 0.00 N ATOM 1150 CA GLY A 78 -2.500 -2.451 9.213 1.00 0.00 C ATOM 1151 C GLY A 78 -3.068 -2.232 7.809 1.00 0.00 C ATOM 1152 O GLY A 78 -2.405 -2.523 6.815 1.00 0.00 O ATOM 0 H GLY A 78 -1.195 -4.040 8.811 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.181 -3.076 9.791 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.425 -1.496 9.732 1.00 0.00 H new ATOM 1156 N SER A 79 -4.290 -1.721 7.774 1.00 0.00 N ATOM 1157 CA SER A 79 -4.956 -1.460 6.509 1.00 0.00 C ATOM 1158 C SER A 79 -4.790 0.011 6.125 1.00 0.00 C ATOM 1159 O SER A 79 -5.012 0.385 4.974 1.00 0.00 O ATOM 1160 CB SER A 79 -6.439 -1.827 6.581 1.00 0.00 C ATOM 1161 OG SER A 79 -7.239 -0.977 5.763 1.00 0.00 O ATOM 0 H SER A 79 -4.836 -1.481 8.601 1.00 0.00 H new ATOM 0 HA SER A 79 -4.493 -2.083 5.743 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.572 -2.862 6.267 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.779 -1.761 7.614 1.00 0.00 H new ATOM 0 HG SER A 79 -8.179 -1.244 5.835 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.402 0.807 7.110 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.204 2.230 6.890 1.00 0.00 C ATOM 1169 C GLU A 80 -2.733 2.520 6.584 1.00 0.00 C ATOM 1170 O GLU A 80 -1.901 2.543 7.489 1.00 0.00 O ATOM 1171 CB GLU A 80 -4.685 3.043 8.093 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.190 2.867 8.308 1.00 0.00 C ATOM 1173 CD GLU A 80 -6.675 3.699 9.496 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -6.510 3.213 10.635 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -7.201 4.804 9.238 1.00 0.00 O ATOM 0 H GLU A 80 -4.219 0.494 8.063 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.800 2.531 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.147 2.729 8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.457 4.098 7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.727 3.165 7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.416 1.815 8.480 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.459 2.735 5.306 1.00 0.00 N ATOM 1183 CA LEU A 81 -1.103 3.023 4.870 1.00 0.00 C ATOM 1184 C LEU A 81 -1.141 4.083 3.767 1.00 0.00 C ATOM 1185 O LEU A 81 -2.216 4.489 3.328 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.387 1.735 4.460 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.769 0.477 5.243 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.631 -0.773 4.373 1.00 0.00 C ATOM 1189 CD2 LEU A 81 0.043 0.369 6.536 1.00 0.00 C ATOM 0 H LEU A 81 -3.153 2.716 4.558 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.519 3.438 5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.583 1.555 3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.687 1.891 4.563 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.818 0.556 5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.908 -1.653 4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.287 -0.688 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.401 -0.871 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.248 -0.533 7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.105 0.322 6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.150 1.241 7.161 1.00 0.00 H new ATOM 1201 N ARG A 82 0.045 4.501 3.351 1.00 0.00 N ATOM 1202 CA ARG A 82 0.161 5.506 2.307 1.00 0.00 C ATOM 1203 C ARG A 82 1.205 5.079 1.273 1.00 0.00 C ATOM 1204 O ARG A 82 2.143 4.352 1.596 1.00 0.00 O ATOM 1205 CB ARG A 82 0.558 6.863 2.891 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.675 7.734 3.140 1.00 0.00 C ATOM 1207 CD ARG A 82 -0.743 8.184 4.601 1.00 0.00 C ATOM 1208 NE ARG A 82 -1.726 7.361 5.339 1.00 0.00 N ATOM 1209 CZ ARG A 82 -2.126 7.613 6.593 1.00 0.00 C ATOM 1210 NH1 ARG A 82 -1.631 8.667 7.255 1.00 0.00 N ATOM 1211 NH2 ARG A 82 -3.023 6.811 7.184 1.00 0.00 N ATOM 0 H ARG A 82 0.935 4.162 3.718 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.813 5.600 1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.099 6.716 3.826 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.236 7.373 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.646 8.607 2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.576 7.176 2.885 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.240 8.094 5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -1.025 9.236 4.653 1.00 0.00 H new ATOM 0 HE ARG A 82 -2.124 6.551 4.864 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.950 9.278 6.805 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.936 8.859 8.209 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.401 6.009 6.679 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.328 7.003 8.138 1.00 0.00 H new ATOM 1225 N ILE A 83 1.006 5.549 0.050 1.00 0.00 N ATOM 1226 CA ILE A 83 1.918 5.225 -1.033 1.00 0.00 C ATOM 1227 C ILE A 83 2.908 6.376 -1.222 1.00 0.00 C ATOM 1228 O ILE A 83 2.514 7.540 -1.251 1.00 0.00 O ATOM 1229 CB ILE A 83 1.139 4.870 -2.302 1.00 0.00 C ATOM 1230 CG1 ILE A 83 1.981 4.001 -3.237 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.624 6.130 -2.999 1.00 0.00 C ATOM 1232 CD1 ILE A 83 1.167 3.556 -4.454 1.00 0.00 C ATOM 0 H ILE A 83 0.227 6.151 -0.214 1.00 0.00 H new ATOM 0 HA ILE A 83 2.502 4.338 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 83 0.267 4.282 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.858 4.559 -3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.343 3.126 -2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.074 5.850 -3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.037 6.675 -2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.467 6.765 -3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.790 2.939 -5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.304 2.978 -4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.827 4.433 -5.005 1.00 0.00 H new ATOM 1244 N ILE A 84 4.176 6.009 -1.345 1.00 0.00 N ATOM 1245 CA ILE A 84 5.226 6.997 -1.530 1.00 0.00 C ATOM 1246 C ILE A 84 6.143 6.552 -2.671 1.00 0.00 C ATOM 1247 O ILE A 84 6.216 5.366 -2.987 1.00 0.00 O ATOM 1248 CB ILE A 84 5.962 7.250 -0.213 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.886 6.080 0.132 1.00 0.00 C ATOM 1250 CG2 ILE A 84 4.975 7.552 0.917 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.345 6.427 -0.172 1.00 0.00 C ATOM 0 H ILE A 84 4.499 5.042 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 84 4.799 7.957 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 84 6.591 8.132 -0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.781 5.827 1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.591 5.199 -0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.524 7.728 1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.394 8.439 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.303 6.704 1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.981 5.579 0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.451 6.656 -1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.643 7.294 0.418 1.00 0.00 H new ATOM 1263 N PRO A 85 6.837 7.554 -3.274 1.00 0.00 N ATOM 1264 CA PRO A 85 7.746 7.278 -4.373 1.00 0.00 C ATOM 1265 C PRO A 85 9.041 6.639 -3.867 1.00 0.00 C ATOM 1266 O PRO A 85 9.777 7.249 -3.094 1.00 0.00 O ATOM 1267 CB PRO A 85 7.971 8.623 -5.045 1.00 0.00 C ATOM 1268 CG PRO A 85 7.556 9.672 -4.026 1.00 0.00 C ATOM 1269 CD PRO A 85 6.776 8.971 -2.927 1.00 0.00 C ATOM 0 HA PRO A 85 7.341 6.556 -5.082 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.016 8.747 -5.330 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.379 8.708 -5.956 1.00 0.00 H new ATOM 0 HG2 PRO A 85 8.433 10.171 -3.613 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.944 10.441 -4.497 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.217 9.158 -1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.746 9.324 -2.886 1.00 0.00 H new ATOM 1277 N ARG A 86 9.278 5.418 -4.324 1.00 0.00 N ATOM 1278 CA ARG A 86 10.471 4.689 -3.927 1.00 0.00 C ATOM 1279 C ARG A 86 10.849 3.665 -4.999 1.00 0.00 C ATOM 1280 O ARG A 86 10.061 2.777 -5.319 1.00 0.00 O ATOM 1281 CB ARG A 86 10.258 3.968 -2.595 1.00 0.00 C ATOM 1282 CG ARG A 86 11.487 4.105 -1.694 1.00 0.00 C ATOM 1283 CD ARG A 86 11.090 4.072 -0.217 1.00 0.00 C ATOM 1284 NE ARG A 86 11.387 5.376 0.416 1.00 0.00 N ATOM 1285 CZ ARG A 86 12.622 5.805 0.710 1.00 0.00 C ATOM 1286 NH1 ARG A 86 13.682 5.035 0.431 1.00 0.00 N ATOM 1287 NH2 ARG A 86 12.797 7.003 1.284 1.00 0.00 N ATOM 0 H ARG A 86 8.664 4.915 -4.965 1.00 0.00 H new ATOM 0 HA ARG A 86 11.278 5.412 -3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.385 4.381 -2.090 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.052 2.913 -2.777 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.188 3.297 -1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.002 5.040 -1.915 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.028 3.846 -0.122 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.632 3.278 0.296 1.00 0.00 H new ATOM 0 HE ARG A 86 10.602 5.987 0.643 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.549 4.123 -0.005 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.622 5.361 0.655 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.990 7.589 1.497 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.737 7.329 1.508 1.00 0.00 H new