USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 665 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -6.73! C(o=-6.7!,f=-13!) USER MOD Single : A 16 THR OG1 : rot 110:sc= -0.522 USER MOD Single : A 22 SER OG : rot 96:sc= 0.331 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0369 USER MOD Single : A 32 TYR OH : rot 20:sc= 0.0507 USER MOD Single : A 36 SER OG : rot 180:sc=-0.00166 USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= -1.44! (180deg=-1.5!) USER MOD Single : A 41 TYR OH : rot 180:sc=-8.04e-05 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.336 K(o=-0.34,f=-2!) USER MOD Single : A 64 SER OG : rot 19:sc= 1.05 USER MOD Single : A 65 TYR OH : rot 2:sc= -0.285 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 136:sc= 1.63 (180deg=-0.91) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -3.18! C(o=-3.2!,f=-1.3!) USER MOD Single : A 89 ASN : amide:sc= -0.0507 K(o=-0.051,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 51 N PRO A 4 7.632 -9.361 -1.416 1.00 0.00 N ATOM 52 CA PRO A 4 7.375 -9.055 -2.824 1.00 0.00 C ATOM 53 C PRO A 4 8.064 -7.770 -3.265 1.00 0.00 C ATOM 54 O PRO A 4 8.495 -6.969 -2.435 1.00 0.00 O ATOM 55 CB PRO A 4 5.855 -8.889 -2.885 1.00 0.00 C ATOM 56 CG PRO A 4 5.334 -9.651 -1.715 1.00 0.00 C ATOM 57 CD PRO A 4 6.390 -9.554 -0.650 1.00 0.00 C ATOM 0 HA PRO A 4 7.757 -9.832 -3.486 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.571 -7.838 -2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.453 -9.279 -3.820 1.00 0.00 H new ATOM 0 HG2 PRO A 4 4.390 -9.233 -1.367 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.143 -10.691 -1.981 1.00 0.00 H new ATOM 0 HD2 PRO A 4 6.202 -8.721 0.027 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.430 -10.457 -0.041 1.00 0.00 H new ATOM 65 N ALA A 5 8.158 -7.570 -4.575 1.00 0.00 N ATOM 66 CA ALA A 5 8.787 -6.374 -5.118 1.00 0.00 C ATOM 67 C ALA A 5 7.783 -5.231 -5.187 1.00 0.00 C ATOM 68 O ALA A 5 7.555 -4.652 -6.250 1.00 0.00 O ATOM 69 CB ALA A 5 9.377 -6.644 -6.492 1.00 0.00 C ATOM 0 H ALA A 5 7.807 -8.220 -5.278 1.00 0.00 H new ATOM 0 HA ALA A 5 9.600 -6.087 -4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.840 -5.734 -6.874 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.128 -7.430 -6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.586 -6.961 -7.172 1.00 0.00 H new ATOM 75 N PHE A 6 7.181 -4.913 -4.044 1.00 0.00 N ATOM 76 CA PHE A 6 6.195 -3.847 -3.966 1.00 0.00 C ATOM 77 C PHE A 6 6.804 -2.501 -4.342 1.00 0.00 C ATOM 78 O PHE A 6 8.025 -2.342 -4.356 1.00 0.00 O ATOM 79 CB PHE A 6 5.612 -3.779 -2.555 1.00 0.00 C ATOM 80 CG PHE A 6 6.564 -3.219 -1.536 1.00 0.00 C ATOM 81 CD1 PHE A 6 7.432 -4.052 -0.848 1.00 0.00 C ATOM 82 CD2 PHE A 6 6.588 -1.861 -1.265 1.00 0.00 C ATOM 83 CE1 PHE A 6 8.307 -3.540 0.092 1.00 0.00 C ATOM 84 CE2 PHE A 6 7.460 -1.343 -0.325 1.00 0.00 C ATOM 85 CZ PHE A 6 8.321 -2.183 0.353 1.00 0.00 C ATOM 0 H PHE A 6 7.362 -5.383 -3.157 1.00 0.00 H new ATOM 0 HA PHE A 6 5.400 -4.069 -4.678 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.711 -3.166 -2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.311 -4.780 -2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.425 -5.113 -1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.918 -1.199 -1.794 1.00 0.00 H new ATOM 0 HE1 PHE A 6 8.979 -4.200 0.622 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.468 -0.282 -0.121 1.00 0.00 H new ATOM 0 HZ PHE A 6 9.004 -1.780 1.086 1.00 0.00 H new ATOM 95 N ASP A 7 5.942 -1.535 -4.639 1.00 0.00 N ATOM 96 CA ASP A 7 6.388 -0.199 -5.011 1.00 0.00 C ATOM 97 C ASP A 7 5.395 0.854 -4.530 1.00 0.00 C ATOM 98 O ASP A 7 4.188 0.616 -4.504 1.00 0.00 O ATOM 99 CB ASP A 7 6.562 -0.096 -6.526 1.00 0.00 C ATOM 100 CG ASP A 7 7.781 0.719 -6.911 1.00 0.00 C ATOM 101 OD1 ASP A 7 8.894 0.365 -6.467 1.00 0.00 O ATOM 102 OD2 ASP A 7 7.622 1.710 -7.653 1.00 0.00 O ATOM 0 H ASP A 7 4.929 -1.653 -4.629 1.00 0.00 H new ATOM 0 HA ASP A 7 7.350 -0.017 -4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.649 -1.097 -6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.672 0.358 -6.962 1.00 0.00 H new ATOM 107 N LEU A 8 5.912 2.016 -4.149 1.00 0.00 N ATOM 108 CA LEU A 8 5.069 3.103 -3.667 1.00 0.00 C ATOM 109 C LEU A 8 5.101 4.287 -4.624 1.00 0.00 C ATOM 110 O LEU A 8 6.167 4.721 -5.062 1.00 0.00 O ATOM 111 CB LEU A 8 5.520 3.552 -2.275 1.00 0.00 C ATOM 112 CG LEU A 8 5.813 2.420 -1.288 1.00 0.00 C ATOM 113 CD1 LEU A 8 6.779 2.888 -0.212 1.00 0.00 C ATOM 114 CD2 LEU A 8 4.520 1.914 -0.663 1.00 0.00 C ATOM 0 H LEU A 8 6.909 2.229 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 8 4.046 2.731 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.417 4.162 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.748 4.193 -1.849 1.00 0.00 H new ATOM 0 HG LEU A 8 6.278 1.598 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.976 2.070 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.714 3.204 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.341 3.726 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.745 1.109 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.029 2.730 -0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.859 1.541 -1.446 1.00 0.00 H new ATOM 126 N SER A 9 3.922 4.816 -4.925 1.00 0.00 N ATOM 127 CA SER A 9 3.795 5.965 -5.810 1.00 0.00 C ATOM 128 C SER A 9 2.751 6.921 -5.258 1.00 0.00 C ATOM 129 O SER A 9 1.649 6.506 -4.898 1.00 0.00 O ATOM 130 CB SER A 9 3.407 5.517 -7.220 1.00 0.00 C ATOM 131 OG SER A 9 2.941 6.609 -7.992 1.00 0.00 O ATOM 0 H SER A 9 3.035 4.464 -4.566 1.00 0.00 H new ATOM 0 HA SER A 9 4.757 6.475 -5.866 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.268 5.062 -7.710 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.633 4.752 -7.162 1.00 0.00 H new ATOM 0 HG SER A 9 2.701 6.296 -8.889 1.00 0.00 H new ATOM 137 N GLN A 10 3.104 8.194 -5.168 1.00 0.00 N ATOM 138 CA GLN A 10 2.190 9.185 -4.630 1.00 0.00 C ATOM 139 C GLN A 10 2.083 10.412 -5.525 1.00 0.00 C ATOM 140 O GLN A 10 3.074 10.894 -6.075 1.00 0.00 O ATOM 141 CB GLN A 10 2.638 9.597 -3.226 1.00 0.00 C ATOM 142 CG GLN A 10 3.632 10.748 -3.207 1.00 0.00 C ATOM 143 CD GLN A 10 5.015 10.329 -3.665 1.00 0.00 C ATOM 144 OE1 GLN A 10 5.842 9.896 -2.862 1.00 0.00 O ATOM 145 NE2 GLN A 10 5.274 10.457 -4.960 1.00 0.00 N ATOM 0 H GLN A 10 4.010 8.562 -5.459 1.00 0.00 H new ATOM 0 HA GLN A 10 1.201 8.730 -4.582 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.761 9.878 -2.644 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.086 8.735 -2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.267 11.549 -3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.695 11.153 -2.197 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.559 10.820 -5.590 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.188 10.192 -5.326 1.00 0.00 H new ATOM 154 N ASP A 11 0.864 10.916 -5.642 1.00 0.00 N ATOM 155 CA ASP A 11 0.578 12.097 -6.437 1.00 0.00 C ATOM 156 C ASP A 11 0.166 13.247 -5.524 1.00 0.00 C ATOM 157 O ASP A 11 -0.211 13.032 -4.372 1.00 0.00 O ATOM 158 CB ASP A 11 -0.526 11.805 -7.455 1.00 0.00 C ATOM 159 CG ASP A 11 0.012 11.656 -8.864 1.00 0.00 C ATOM 160 OD1 ASP A 11 0.975 10.882 -9.054 1.00 0.00 O ATOM 161 OD2 ASP A 11 -0.528 12.313 -9.779 1.00 0.00 O ATOM 0 H ASP A 11 0.044 10.515 -5.186 1.00 0.00 H new ATOM 0 HA ASP A 11 1.479 12.380 -6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.047 10.891 -7.170 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.260 12.611 -7.432 1.00 0.00 H new ATOM 166 N PRO A 12 0.248 14.487 -6.020 1.00 0.00 N ATOM 167 CA PRO A 12 -0.101 15.685 -5.244 1.00 0.00 C ATOM 168 C PRO A 12 -1.542 15.699 -4.722 1.00 0.00 C ATOM 169 O PRO A 12 -1.933 16.629 -4.016 1.00 0.00 O ATOM 170 CB PRO A 12 0.099 16.831 -6.243 1.00 0.00 C ATOM 171 CG PRO A 12 1.018 16.287 -7.280 1.00 0.00 C ATOM 172 CD PRO A 12 0.706 14.822 -7.378 1.00 0.00 C ATOM 0 HA PRO A 12 0.512 15.748 -4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.849 17.142 -6.681 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.528 17.707 -5.757 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.864 16.784 -8.238 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.060 16.447 -7.002 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.064 14.623 -8.124 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.583 14.241 -7.662 1.00 0.00 H new ATOM 180 N ASP A 13 -2.334 14.677 -5.049 1.00 0.00 N ATOM 181 CA ASP A 13 -3.717 14.616 -4.579 1.00 0.00 C ATOM 182 C ASP A 13 -4.093 13.218 -4.089 1.00 0.00 C ATOM 183 O ASP A 13 -5.241 12.984 -3.712 1.00 0.00 O ATOM 184 CB ASP A 13 -4.672 15.030 -5.696 1.00 0.00 C ATOM 185 CG ASP A 13 -4.274 16.341 -6.345 1.00 0.00 C ATOM 186 OD1 ASP A 13 -3.158 16.414 -6.898 1.00 0.00 O ATOM 187 OD2 ASP A 13 -5.079 17.295 -6.299 1.00 0.00 O ATOM 0 H ASP A 13 -2.046 13.890 -5.630 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.802 15.306 -3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.700 14.247 -6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.681 15.120 -5.292 1.00 0.00 H new ATOM 192 N PHE A 14 -3.127 12.302 -4.083 1.00 0.00 N ATOM 193 CA PHE A 14 -3.379 10.929 -3.635 1.00 0.00 C ATOM 194 C PHE A 14 -2.085 10.140 -3.468 1.00 0.00 C ATOM 195 O PHE A 14 -1.021 10.570 -3.899 1.00 0.00 O ATOM 196 CB PHE A 14 -4.265 10.175 -4.638 1.00 0.00 C ATOM 197 CG PHE A 14 -5.441 10.952 -5.153 1.00 0.00 C ATOM 198 CD1 PHE A 14 -5.298 11.843 -6.205 1.00 0.00 C ATOM 199 CD2 PHE A 14 -6.694 10.784 -4.586 1.00 0.00 C ATOM 200 CE1 PHE A 14 -6.383 12.556 -6.678 1.00 0.00 C ATOM 201 CE2 PHE A 14 -7.782 11.494 -5.056 1.00 0.00 C ATOM 202 CZ PHE A 14 -7.627 12.380 -6.104 1.00 0.00 C ATOM 0 H PHE A 14 -2.168 12.481 -4.381 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.882 11.010 -2.672 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.651 9.870 -5.485 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.630 9.264 -4.164 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.328 11.981 -6.660 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.822 10.091 -3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.258 13.250 -7.496 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.753 11.356 -4.604 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.477 12.934 -6.474 1.00 0.00 H new ATOM 212 N LEU A 15 -2.205 8.966 -2.859 1.00 0.00 N ATOM 213 CA LEU A 15 -1.069 8.075 -2.653 1.00 0.00 C ATOM 214 C LEU A 15 -1.483 6.656 -3.001 1.00 0.00 C ATOM 215 O LEU A 15 -2.250 6.035 -2.263 1.00 0.00 O ATOM 216 CB LEU A 15 -0.580 8.128 -1.203 1.00 0.00 C ATOM 217 CG LEU A 15 0.429 7.043 -0.814 1.00 0.00 C ATOM 218 CD1 LEU A 15 -0.277 5.721 -0.554 1.00 0.00 C ATOM 219 CD2 LEU A 15 1.488 6.880 -1.895 1.00 0.00 C ATOM 0 H LEU A 15 -3.088 8.606 -2.496 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.251 8.398 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.127 9.103 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.444 8.052 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 15 0.924 7.354 0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.458 4.964 -0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.992 5.844 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.803 5.406 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.194 6.105 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.010 6.596 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.019 7.822 -2.029 1.00 0.00 H new ATOM 231 N THR A 16 -0.993 6.136 -4.121 1.00 0.00 N ATOM 232 CA THR A 16 -1.345 4.789 -4.534 1.00 0.00 C ATOM 233 C THR A 16 -0.226 3.814 -4.211 1.00 0.00 C ATOM 234 O THR A 16 0.954 4.144 -4.324 1.00 0.00 O ATOM 235 CB THR A 16 -1.637 4.725 -6.045 1.00 0.00 C ATOM 236 OG1 THR A 16 -2.609 5.705 -6.432 1.00 0.00 O ATOM 237 CG2 THR A 16 -2.154 3.351 -6.439 1.00 0.00 C ATOM 0 H THR A 16 -0.357 6.624 -4.752 1.00 0.00 H new ATOM 0 HA THR A 16 -2.244 4.511 -3.983 1.00 0.00 H new ATOM 0 HB THR A 16 -0.697 4.928 -6.558 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.175 6.403 -6.965 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.353 3.331 -7.510 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.406 2.597 -6.194 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.074 3.139 -5.895 1.00 0.00 H new ATOM 245 N ILE A 17 -0.605 2.612 -3.812 1.00 0.00 N ATOM 246 CA ILE A 17 0.363 1.586 -3.476 1.00 0.00 C ATOM 247 C ILE A 17 0.255 0.410 -4.438 1.00 0.00 C ATOM 248 O ILE A 17 -0.803 0.172 -5.026 1.00 0.00 O ATOM 249 CB ILE A 17 0.173 1.105 -2.028 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.058 2.313 -1.093 1.00 0.00 C ATOM 251 CG2 ILE A 17 1.328 0.206 -1.610 1.00 0.00 C ATOM 252 CD1 ILE A 17 -0.142 1.943 0.359 1.00 0.00 C ATOM 0 H ILE A 17 -1.578 2.324 -3.713 1.00 0.00 H new ATOM 0 HA ILE A 17 1.358 2.022 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.746 0.523 -1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.960 2.918 -1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.776 2.934 -1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.178 -0.125 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.371 -0.661 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.264 0.760 -1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.215 2.850 0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.060 1.364 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.704 1.347 0.703 1.00 0.00 H new ATOM 264 N ALA A 18 1.354 -0.317 -4.602 1.00 0.00 N ATOM 265 CA ALA A 18 1.384 -1.461 -5.502 1.00 0.00 C ATOM 266 C ALA A 18 1.957 -2.692 -4.813 1.00 0.00 C ATOM 267 O ALA A 18 3.086 -2.675 -4.323 1.00 0.00 O ATOM 268 CB ALA A 18 2.187 -1.144 -6.754 1.00 0.00 C ATOM 0 H ALA A 18 2.236 -0.134 -4.123 1.00 0.00 H new ATOM 0 HA ALA A 18 0.355 -1.677 -5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.195 -2.014 -7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.732 -0.301 -7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.210 -0.890 -6.476 1.00 0.00 H new ATOM 274 N ILE A 19 1.173 -3.762 -4.789 1.00 0.00 N ATOM 275 CA ILE A 19 1.599 -5.010 -4.174 1.00 0.00 C ATOM 276 C ILE A 19 1.463 -6.164 -5.160 1.00 0.00 C ATOM 277 O ILE A 19 0.382 -6.406 -5.698 1.00 0.00 O ATOM 278 CB ILE A 19 0.783 -5.318 -2.904 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.378 -4.016 -2.208 1.00 0.00 C ATOM 280 CG2 ILE A 19 1.588 -6.202 -1.963 1.00 0.00 C ATOM 281 CD1 ILE A 19 -0.768 -4.180 -1.234 1.00 0.00 C ATOM 0 H ILE A 19 0.236 -3.789 -5.190 1.00 0.00 H new ATOM 0 HA ILE A 19 2.646 -4.896 -3.892 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.123 -5.853 -3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.241 -3.615 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.099 -3.282 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.000 -6.412 -1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.834 -7.138 -2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.508 -5.690 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.000 -3.217 -0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.645 -4.552 -1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.486 -4.890 -0.456 1.00 0.00 H new ATOM 293 N ARG A 20 2.564 -6.864 -5.412 1.00 0.00 N ATOM 294 CA ARG A 20 2.552 -7.977 -6.355 1.00 0.00 C ATOM 295 C ARG A 20 2.060 -9.266 -5.701 1.00 0.00 C ATOM 296 O ARG A 20 2.669 -9.772 -4.759 1.00 0.00 O ATOM 297 CB ARG A 20 3.955 -8.188 -6.933 1.00 0.00 C ATOM 298 CG ARG A 20 4.195 -9.587 -7.484 1.00 0.00 C ATOM 299 CD ARG A 20 5.674 -9.847 -7.714 1.00 0.00 C ATOM 300 NE ARG A 20 5.963 -10.176 -9.107 1.00 0.00 N ATOM 301 CZ ARG A 20 6.129 -9.264 -10.060 1.00 0.00 C ATOM 302 NH1 ARG A 20 6.017 -7.975 -9.773 1.00 0.00 N ATOM 303 NH2 ARG A 20 6.403 -9.642 -11.302 1.00 0.00 N ATOM 0 H ARG A 20 3.470 -6.683 -4.980 1.00 0.00 H new ATOM 0 HA ARG A 20 1.859 -7.725 -7.158 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.122 -7.462 -7.729 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.691 -7.984 -6.156 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.798 -10.326 -6.788 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.653 -9.708 -8.422 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.246 -8.966 -7.424 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.002 -10.665 -7.073 1.00 0.00 H new ATOM 0 HE ARG A 20 6.042 -11.160 -9.363 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.803 -7.681 -8.820 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.145 -7.277 -10.505 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.487 -10.633 -11.527 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.530 -8.941 -12.032 1.00 0.00 H new ATOM 317 N VAL A 21 0.954 -9.788 -6.218 1.00 0.00 N ATOM 318 CA VAL A 21 0.371 -11.019 -5.700 1.00 0.00 C ATOM 319 C VAL A 21 -0.273 -11.832 -6.817 1.00 0.00 C ATOM 320 O VAL A 21 -1.012 -11.297 -7.642 1.00 0.00 O ATOM 321 CB VAL A 21 -0.681 -10.734 -4.615 1.00 0.00 C ATOM 322 CG1 VAL A 21 -0.030 -10.098 -3.396 1.00 0.00 C ATOM 323 CG2 VAL A 21 -1.787 -9.846 -5.164 1.00 0.00 C ATOM 0 H VAL A 21 0.442 -9.376 -6.998 1.00 0.00 H new ATOM 0 HA VAL A 21 1.186 -11.592 -5.258 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.127 -11.680 -4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.789 -9.903 -2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.722 -10.775 -2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.444 -9.160 -3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.522 -9.655 -4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.361 -8.901 -5.500 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.271 -10.345 -6.003 1.00 0.00 H new ATOM 333 N SER A 22 0.016 -13.128 -6.836 1.00 0.00 N ATOM 334 CA SER A 22 -0.533 -14.017 -7.853 1.00 0.00 C ATOM 335 C SER A 22 -1.351 -15.135 -7.216 1.00 0.00 C ATOM 336 O SER A 22 -2.336 -15.600 -7.791 1.00 0.00 O ATOM 337 CB SER A 22 0.594 -14.614 -8.699 1.00 0.00 C ATOM 338 OG SER A 22 1.775 -14.778 -7.933 1.00 0.00 O ATOM 0 H SER A 22 0.627 -13.586 -6.160 1.00 0.00 H new ATOM 0 HA SER A 22 -1.191 -13.431 -8.495 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.280 -15.578 -9.100 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.797 -13.965 -9.551 1.00 0.00 H new ATOM 0 HG SER A 22 1.822 -15.698 -7.598 1.00 0.00 H new ATOM 344 N TYR A 23 -0.937 -15.563 -6.028 1.00 0.00 N ATOM 345 CA TYR A 23 -1.635 -16.629 -5.320 1.00 0.00 C ATOM 346 C TYR A 23 -2.771 -16.067 -4.472 1.00 0.00 C ATOM 347 O TYR A 23 -3.915 -16.505 -4.596 1.00 0.00 O ATOM 348 CB TYR A 23 -0.655 -17.402 -4.435 1.00 0.00 C ATOM 349 CG TYR A 23 0.417 -18.126 -5.216 1.00 0.00 C ATOM 350 CD1 TYR A 23 1.404 -17.422 -5.892 1.00 0.00 C ATOM 351 CD2 TYR A 23 0.442 -19.514 -5.277 1.00 0.00 C ATOM 352 CE1 TYR A 23 2.385 -18.079 -6.609 1.00 0.00 C ATOM 353 CE2 TYR A 23 1.422 -20.179 -5.992 1.00 0.00 C ATOM 354 CZ TYR A 23 2.391 -19.456 -6.657 1.00 0.00 C ATOM 355 OH TYR A 23 3.367 -20.112 -7.370 1.00 0.00 O ATOM 0 H TYR A 23 -0.125 -15.189 -5.537 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.062 -17.307 -6.059 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.182 -16.709 -3.739 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.210 -18.125 -3.837 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.405 -16.343 -5.857 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.316 -20.083 -4.758 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.145 -17.515 -7.130 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.429 -21.258 -6.029 1.00 0.00 H new ATOM 0 HH TYR A 23 3.228 -21.080 -7.301 1.00 0.00 H new ATOM 365 N ALA A 24 -2.438 -15.090 -3.623 1.00 0.00 N ATOM 366 CA ALA A 24 -3.413 -14.440 -2.741 1.00 0.00 C ATOM 367 C ALA A 24 -4.675 -15.280 -2.566 1.00 0.00 C ATOM 368 O ALA A 24 -5.708 -14.992 -3.173 1.00 0.00 O ATOM 369 CB ALA A 24 -3.778 -13.061 -3.268 1.00 0.00 C ATOM 0 H ALA A 24 -1.489 -14.728 -3.528 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.941 -14.338 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.502 -12.596 -2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.882 -12.442 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.212 -13.155 -4.264 1.00 0.00 H new ATOM 375 N ARG A 25 -4.584 -16.332 -1.759 1.00 0.00 N ATOM 376 CA ARG A 25 -5.716 -17.224 -1.535 1.00 0.00 C ATOM 377 C ARG A 25 -6.931 -16.470 -1.011 1.00 0.00 C ATOM 378 O ARG A 25 -7.990 -16.482 -1.639 1.00 0.00 O ATOM 379 CB ARG A 25 -5.329 -18.321 -0.543 1.00 0.00 C ATOM 380 CG ARG A 25 -5.341 -19.718 -1.138 1.00 0.00 C ATOM 381 CD ARG A 25 -5.157 -20.777 -0.065 1.00 0.00 C ATOM 382 NE ARG A 25 -4.101 -21.725 -0.409 1.00 0.00 N ATOM 383 CZ ARG A 25 -3.722 -22.724 0.380 1.00 0.00 C ATOM 384 NH1 ARG A 25 -4.301 -22.897 1.561 1.00 0.00 N ATOM 385 NH2 ARG A 25 -2.762 -23.549 -0.011 1.00 0.00 N ATOM 0 H ARG A 25 -3.738 -16.588 -1.249 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.981 -17.669 -2.494 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.333 -18.111 -0.154 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.015 -18.291 0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.284 -19.885 -1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.547 -19.807 -1.879 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.917 -20.295 0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.094 -21.314 0.079 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.628 -21.614 -1.306 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.039 -22.262 1.865 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.008 -23.665 2.165 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.314 -23.417 -0.918 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.471 -24.316 0.595 1.00 0.00 H new ATOM 399 N VAL A 26 -6.781 -15.826 0.145 1.00 0.00 N ATOM 400 CA VAL A 26 -7.881 -15.077 0.743 1.00 0.00 C ATOM 401 C VAL A 26 -8.759 -14.446 -0.330 1.00 0.00 C ATOM 402 O VAL A 26 -8.276 -13.708 -1.189 1.00 0.00 O ATOM 403 CB VAL A 26 -7.382 -13.974 1.700 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.271 -14.513 3.117 1.00 0.00 C ATOM 405 CG2 VAL A 26 -6.050 -13.399 1.234 1.00 0.00 C ATOM 0 H VAL A 26 -5.914 -15.808 0.682 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.465 -15.795 1.319 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.112 -13.164 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.918 -13.723 3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.249 -14.858 3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.567 -15.345 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.725 -12.625 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.303 -14.192 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.168 -12.968 0.240 1.00 0.00 H new ATOM 415 N SER A 27 -10.053 -14.744 -0.279 1.00 0.00 N ATOM 416 CA SER A 27 -10.997 -14.205 -1.250 1.00 0.00 C ATOM 417 C SER A 27 -10.916 -12.687 -1.287 1.00 0.00 C ATOM 418 O SER A 27 -10.975 -12.075 -2.354 1.00 0.00 O ATOM 419 CB SER A 27 -12.421 -14.650 -0.911 1.00 0.00 C ATOM 420 OG SER A 27 -12.961 -13.870 0.142 1.00 0.00 O ATOM 0 H SER A 27 -10.471 -15.355 0.423 1.00 0.00 H new ATOM 0 HA SER A 27 -10.735 -14.590 -2.235 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.053 -14.562 -1.795 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.418 -15.702 -0.625 1.00 0.00 H new ATOM 0 HG SER A 27 -13.872 -14.172 0.339 1.00 0.00 H new ATOM 426 N GLU A 28 -10.771 -12.086 -0.114 1.00 0.00 N ATOM 427 CA GLU A 28 -10.668 -10.640 -0.003 1.00 0.00 C ATOM 428 C GLU A 28 -9.404 -10.256 0.751 1.00 0.00 C ATOM 429 O GLU A 28 -9.047 -10.890 1.744 1.00 0.00 O ATOM 430 CB GLU A 28 -11.892 -10.068 0.714 1.00 0.00 C ATOM 431 CG GLU A 28 -11.766 -8.589 1.045 1.00 0.00 C ATOM 432 CD GLU A 28 -13.104 -7.877 1.060 1.00 0.00 C ATOM 433 OE1 GLU A 28 -13.902 -8.093 0.123 1.00 0.00 O ATOM 434 OE2 GLU A 28 -13.355 -7.106 2.009 1.00 0.00 O ATOM 0 H GLU A 28 -10.722 -12.581 0.777 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.623 -10.223 -1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.772 -10.218 0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.056 -10.626 1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.289 -8.478 2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.113 -8.112 0.314 1.00 0.00 H new ATOM 441 N PHE A 29 -8.733 -9.210 0.286 1.00 0.00 N ATOM 442 CA PHE A 29 -7.517 -8.746 0.935 1.00 0.00 C ATOM 443 C PHE A 29 -7.867 -7.790 2.068 1.00 0.00 C ATOM 444 O PHE A 29 -8.967 -7.238 2.105 1.00 0.00 O ATOM 445 CB PHE A 29 -6.595 -8.061 -0.076 1.00 0.00 C ATOM 446 CG PHE A 29 -6.505 -8.777 -1.398 1.00 0.00 C ATOM 447 CD1 PHE A 29 -6.941 -10.087 -1.527 1.00 0.00 C ATOM 448 CD2 PHE A 29 -5.985 -8.136 -2.512 1.00 0.00 C ATOM 449 CE1 PHE A 29 -6.860 -10.744 -2.740 1.00 0.00 C ATOM 450 CE2 PHE A 29 -5.900 -8.788 -3.728 1.00 0.00 C ATOM 451 CZ PHE A 29 -6.339 -10.093 -3.843 1.00 0.00 C ATOM 0 H PHE A 29 -9.010 -8.670 -0.534 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.990 -9.606 1.348 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.950 -7.045 -0.247 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.596 -7.982 0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.349 -10.600 -0.669 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.642 -7.115 -2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.203 -11.764 -2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.491 -8.278 -4.587 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.275 -10.604 -4.793 1.00 0.00 H new ATOM 461 N ASP A 30 -6.938 -7.598 2.994 1.00 0.00 N ATOM 462 CA ASP A 30 -7.170 -6.708 4.125 1.00 0.00 C ATOM 463 C ASP A 30 -6.270 -5.484 4.049 1.00 0.00 C ATOM 464 O ASP A 30 -5.053 -5.591 4.176 1.00 0.00 O ATOM 465 CB ASP A 30 -6.939 -7.451 5.442 1.00 0.00 C ATOM 466 CG ASP A 30 -8.165 -8.219 5.893 1.00 0.00 C ATOM 467 OD1 ASP A 30 -9.246 -7.604 6.000 1.00 0.00 O ATOM 468 OD2 ASP A 30 -8.044 -9.438 6.139 1.00 0.00 O ATOM 0 H ASP A 30 -6.021 -8.044 2.986 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.206 -6.373 4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.104 -8.141 5.325 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.656 -6.736 6.215 1.00 0.00 H new ATOM 473 N VAL A 31 -6.878 -4.321 3.843 1.00 0.00 N ATOM 474 CA VAL A 31 -6.129 -3.074 3.751 1.00 0.00 C ATOM 475 C VAL A 31 -6.515 -2.121 4.876 1.00 0.00 C ATOM 476 O VAL A 31 -7.656 -1.665 4.954 1.00 0.00 O ATOM 477 CB VAL A 31 -6.360 -2.375 2.399 1.00 0.00 C ATOM 478 CG1 VAL A 31 -5.353 -1.254 2.199 1.00 0.00 C ATOM 479 CG2 VAL A 31 -6.286 -3.378 1.259 1.00 0.00 C ATOM 0 H VAL A 31 -7.887 -4.216 3.737 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.074 -3.332 3.840 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.359 -1.938 2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.532 -0.771 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.461 -0.521 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.343 -1.664 2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.452 -2.865 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.302 -3.847 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.051 -4.142 1.396 1.00 0.00 H new ATOM 489 N TYR A 32 -5.555 -1.821 5.741 1.00 0.00 N ATOM 490 CA TYR A 32 -5.792 -0.918 6.858 1.00 0.00 C ATOM 491 C TYR A 32 -4.929 0.330 6.735 1.00 0.00 C ATOM 492 O TYR A 32 -3.701 0.258 6.812 1.00 0.00 O ATOM 493 CB TYR A 32 -5.505 -1.621 8.185 1.00 0.00 C ATOM 494 CG TYR A 32 -6.166 -2.975 8.308 1.00 0.00 C ATOM 495 CD1 TYR A 32 -7.480 -3.168 7.900 1.00 0.00 C ATOM 496 CD2 TYR A 32 -5.475 -4.060 8.832 1.00 0.00 C ATOM 497 CE1 TYR A 32 -8.086 -4.405 8.011 1.00 0.00 C ATOM 498 CE2 TYR A 32 -6.074 -5.301 8.945 1.00 0.00 C ATOM 499 CZ TYR A 32 -7.379 -5.468 8.533 1.00 0.00 C ATOM 500 OH TYR A 32 -7.979 -6.701 8.645 1.00 0.00 O ATOM 0 H TYR A 32 -4.605 -2.190 5.690 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.840 -0.621 6.835 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.427 -1.740 8.298 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.843 -0.985 9.004 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.037 -2.338 7.490 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.453 -3.932 9.157 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.109 -4.539 7.690 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.523 -6.135 9.354 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.752 -6.744 8.044 1.00 0.00 H new ATOM 510 N PHE A 33 -5.575 1.474 6.549 1.00 0.00 N ATOM 511 CA PHE A 33 -4.865 2.738 6.425 1.00 0.00 C ATOM 512 C PHE A 33 -5.379 3.743 7.449 1.00 0.00 C ATOM 513 O PHE A 33 -6.544 4.139 7.418 1.00 0.00 O ATOM 514 CB PHE A 33 -5.000 3.292 5.004 1.00 0.00 C ATOM 515 CG PHE A 33 -6.364 3.833 4.683 1.00 0.00 C ATOM 516 CD1 PHE A 33 -7.350 3.001 4.180 1.00 0.00 C ATOM 517 CD2 PHE A 33 -6.658 5.173 4.878 1.00 0.00 C ATOM 518 CE1 PHE A 33 -8.605 3.494 3.877 1.00 0.00 C ATOM 519 CE2 PHE A 33 -7.911 5.672 4.577 1.00 0.00 C ATOM 520 CZ PHE A 33 -8.886 4.832 4.076 1.00 0.00 C ATOM 0 H PHE A 33 -6.590 1.551 6.481 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.808 2.561 6.623 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.265 4.084 4.863 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.758 2.502 4.293 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.136 1.954 4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.900 5.835 5.270 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.365 2.834 3.485 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.128 6.718 4.733 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.866 5.220 3.840 1.00 0.00 H new ATOM 530 N GLU A 34 -4.499 4.143 8.361 1.00 0.00 N ATOM 531 CA GLU A 34 -4.855 5.094 9.407 1.00 0.00 C ATOM 532 C GLU A 34 -3.742 6.111 9.617 1.00 0.00 C ATOM 533 O GLU A 34 -2.642 5.759 10.039 1.00 0.00 O ATOM 534 CB GLU A 34 -5.133 4.357 10.717 1.00 0.00 C ATOM 535 CG GLU A 34 -6.556 3.845 10.832 1.00 0.00 C ATOM 536 CD GLU A 34 -6.893 3.370 12.231 1.00 0.00 C ATOM 537 OE1 GLU A 34 -6.112 3.659 13.161 1.00 0.00 O ATOM 538 OE2 GLU A 34 -7.940 2.708 12.397 1.00 0.00 O ATOM 0 H GLU A 34 -3.531 3.822 8.396 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.755 5.623 9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.445 3.517 10.805 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.927 5.027 11.552 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.248 4.637 10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.701 3.025 10.129 1.00 0.00 H new ATOM 545 N GLY A 35 -4.034 7.373 9.322 1.00 0.00 N ATOM 546 CA GLY A 35 -3.042 8.416 9.486 1.00 0.00 C ATOM 547 C GLY A 35 -1.842 8.205 8.586 1.00 0.00 C ATOM 548 O GLY A 35 -1.624 8.961 7.641 1.00 0.00 O ATOM 0 H GLY A 35 -4.938 7.691 8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.494 9.383 9.267 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.715 8.445 10.525 1.00 0.00 H new ATOM 552 N SER A 36 -1.067 7.166 8.877 1.00 0.00 N ATOM 553 CA SER A 36 0.115 6.842 8.086 1.00 0.00 C ATOM 554 C SER A 36 0.492 5.374 8.264 1.00 0.00 C ATOM 555 O SER A 36 1.641 4.984 8.049 1.00 0.00 O ATOM 556 CB SER A 36 1.289 7.738 8.489 1.00 0.00 C ATOM 557 OG SER A 36 0.989 8.476 9.661 1.00 0.00 O ATOM 0 H SER A 36 -1.237 6.532 9.658 1.00 0.00 H new ATOM 0 HA SER A 36 -0.117 7.018 7.036 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.176 7.127 8.657 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.524 8.423 7.674 1.00 0.00 H new ATOM 0 HG SER A 36 1.755 9.039 9.898 1.00 0.00 H new ATOM 563 N ASP A 37 -0.487 4.565 8.663 1.00 0.00 N ATOM 564 CA ASP A 37 -0.269 3.139 8.883 1.00 0.00 C ATOM 565 C ASP A 37 -0.997 2.302 7.833 1.00 0.00 C ATOM 566 O ASP A 37 -2.216 2.148 7.888 1.00 0.00 O ATOM 567 CB ASP A 37 -0.749 2.748 10.281 1.00 0.00 C ATOM 568 CG ASP A 37 0.400 2.515 11.243 1.00 0.00 C ATOM 569 OD1 ASP A 37 1.562 2.490 10.786 1.00 0.00 O ATOM 570 OD2 ASP A 37 0.136 2.361 12.455 1.00 0.00 O ATOM 0 H ASP A 37 -1.442 4.875 8.841 1.00 0.00 H new ATOM 0 HA ASP A 37 0.800 2.942 8.796 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.394 3.534 10.674 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.353 1.843 10.215 1.00 0.00 H new ATOM 575 N PHE A 38 -0.240 1.766 6.880 1.00 0.00 N ATOM 576 CA PHE A 38 -0.817 0.948 5.816 1.00 0.00 C ATOM 577 C PHE A 38 -0.500 -0.532 6.017 1.00 0.00 C ATOM 578 O PHE A 38 0.662 -0.938 5.986 1.00 0.00 O ATOM 579 CB PHE A 38 -0.297 1.406 4.453 1.00 0.00 C ATOM 580 CG PHE A 38 -0.720 0.511 3.323 1.00 0.00 C ATOM 581 CD1 PHE A 38 -1.993 0.610 2.783 1.00 0.00 C ATOM 582 CD2 PHE A 38 0.156 -0.426 2.799 1.00 0.00 C ATOM 583 CE1 PHE A 38 -2.384 -0.212 1.743 1.00 0.00 C ATOM 584 CE2 PHE A 38 -0.230 -1.249 1.759 1.00 0.00 C ATOM 585 CZ PHE A 38 -1.501 -1.142 1.229 1.00 0.00 C ATOM 0 H PHE A 38 0.772 1.882 6.822 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.899 1.074 5.852 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.652 2.418 4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.792 1.451 4.484 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.686 1.337 3.179 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.152 -0.514 3.208 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.379 -0.127 1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.462 -1.976 1.360 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.804 -1.784 0.415 1.00 0.00 H new ATOM 595 N LYS A 39 -1.543 -1.333 6.220 1.00 0.00 N ATOM 596 CA LYS A 39 -1.380 -2.772 6.423 1.00 0.00 C ATOM 597 C LYS A 39 -2.121 -3.560 5.346 1.00 0.00 C ATOM 598 O LYS A 39 -3.291 -3.295 5.067 1.00 0.00 O ATOM 599 CB LYS A 39 -1.899 -3.175 7.803 1.00 0.00 C ATOM 600 CG LYS A 39 -1.108 -2.571 8.953 1.00 0.00 C ATOM 601 CD LYS A 39 -1.960 -1.614 9.770 1.00 0.00 C ATOM 602 CE LYS A 39 -1.104 -0.595 10.502 1.00 0.00 C ATOM 603 NZ LYS A 39 -1.869 0.112 11.567 1.00 0.00 N ATOM 0 H LYS A 39 -2.510 -1.011 6.248 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.317 -3.004 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.942 -2.872 7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.875 -4.261 7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.733 -3.367 9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.239 -2.043 8.561 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.661 -1.098 9.114 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.553 -2.177 10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.243 -1.096 10.945 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.717 0.133 9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.213 0.658 12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.558 0.757 11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.371 -0.584 12.154 1.00 0.00 H new ATOM 617 N PHE A 40 -1.438 -4.527 4.735 1.00 0.00 N ATOM 618 CA PHE A 40 -2.048 -5.337 3.685 1.00 0.00 C ATOM 619 C PHE A 40 -1.830 -6.830 3.916 1.00 0.00 C ATOM 620 O PHE A 40 -0.698 -7.313 3.897 1.00 0.00 O ATOM 621 CB PHE A 40 -1.492 -4.945 2.317 1.00 0.00 C ATOM 622 CG PHE A 40 -2.050 -5.772 1.193 1.00 0.00 C ATOM 623 CD1 PHE A 40 -3.312 -5.509 0.684 1.00 0.00 C ATOM 624 CD2 PHE A 40 -1.314 -6.811 0.646 1.00 0.00 C ATOM 625 CE1 PHE A 40 -3.830 -6.268 -0.348 1.00 0.00 C ATOM 626 CE2 PHE A 40 -1.827 -7.574 -0.386 1.00 0.00 C ATOM 627 CZ PHE A 40 -3.086 -7.301 -0.884 1.00 0.00 C ATOM 0 H PHE A 40 -0.470 -4.766 4.948 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.120 -5.144 3.714 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.712 -3.894 2.130 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.407 -5.046 2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.897 -4.702 1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.328 -7.027 1.031 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.815 -6.054 -0.735 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.244 -8.382 -0.802 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.488 -7.895 -1.692 1.00 0.00 H new ATOM 637 N TYR A 41 -2.923 -7.562 4.116 1.00 0.00 N ATOM 638 CA TYR A 41 -2.853 -9.005 4.329 1.00 0.00 C ATOM 639 C TYR A 41 -3.545 -9.744 3.188 1.00 0.00 C ATOM 640 O TYR A 41 -4.767 -9.696 3.054 1.00 0.00 O ATOM 641 CB TYR A 41 -3.499 -9.385 5.663 1.00 0.00 C ATOM 642 CG TYR A 41 -2.977 -8.591 6.838 1.00 0.00 C ATOM 643 CD1 TYR A 41 -3.362 -7.271 7.034 1.00 0.00 C ATOM 644 CD2 TYR A 41 -2.096 -9.160 7.749 1.00 0.00 C ATOM 645 CE1 TYR A 41 -2.885 -6.540 8.104 1.00 0.00 C ATOM 646 CE2 TYR A 41 -1.615 -8.435 8.823 1.00 0.00 C ATOM 647 CZ TYR A 41 -2.013 -7.126 8.996 1.00 0.00 C ATOM 648 OH TYR A 41 -1.535 -6.401 10.063 1.00 0.00 O ATOM 0 H TYR A 41 -3.868 -7.179 4.135 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.803 -9.295 4.354 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.577 -9.241 5.589 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.331 -10.446 5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.046 -6.809 6.338 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -1.782 -10.185 7.616 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.194 -5.514 8.241 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.931 -8.891 9.523 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.932 -6.961 10.595 1.00 0.00 H new ATOM 658 N ALA A 42 -2.754 -10.425 2.365 1.00 0.00 N ATOM 659 CA ALA A 42 -3.293 -11.170 1.234 1.00 0.00 C ATOM 660 C ALA A 42 -3.213 -12.672 1.483 1.00 0.00 C ATOM 661 O ALA A 42 -3.188 -13.454 0.539 1.00 0.00 O ATOM 662 CB ALA A 42 -2.564 -10.811 -0.052 1.00 0.00 C ATOM 0 H ALA A 42 -1.740 -10.476 2.460 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.342 -10.893 1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.985 -11.381 -0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.678 -9.745 -0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.505 -11.050 0.051 1.00 0.00 H new ATOM 668 N LYS A 43 -3.172 -13.041 2.765 1.00 0.00 N ATOM 669 CA LYS A 43 -3.089 -14.438 3.213 1.00 0.00 C ATOM 670 C LYS A 43 -1.630 -14.831 3.496 1.00 0.00 C ATOM 671 O LYS A 43 -1.178 -14.688 4.633 1.00 0.00 O ATOM 672 CB LYS A 43 -3.784 -15.408 2.243 1.00 0.00 C ATOM 673 CG LYS A 43 -3.543 -16.875 2.566 1.00 0.00 C ATOM 674 CD LYS A 43 -4.353 -17.325 3.771 1.00 0.00 C ATOM 675 CE LYS A 43 -3.451 -17.768 4.912 1.00 0.00 C ATOM 676 NZ LYS A 43 -3.747 -17.034 6.172 1.00 0.00 N ATOM 0 H LYS A 43 -3.196 -12.371 3.534 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.639 -14.518 4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.857 -15.214 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.436 -15.206 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.805 -17.486 1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.482 -17.036 2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.993 -16.509 4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.009 -18.147 3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.575 -18.838 5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.409 -17.607 4.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.110 -17.366 6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.604 -16.015 6.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.734 -17.208 6.451 1.00 0.00 H new ATOM 690 N PRO A 44 -0.843 -15.306 2.503 1.00 0.00 N ATOM 691 CA PRO A 44 0.554 -15.664 2.741 1.00 0.00 C ATOM 692 C PRO A 44 1.465 -14.451 2.681 1.00 0.00 C ATOM 693 O PRO A 44 2.612 -14.496 3.122 1.00 0.00 O ATOM 694 CB PRO A 44 0.870 -16.593 1.581 1.00 0.00 C ATOM 695 CG PRO A 44 0.048 -16.060 0.460 1.00 0.00 C ATOM 696 CD PRO A 44 -1.213 -15.519 1.086 1.00 0.00 C ATOM 0 HA PRO A 44 0.705 -16.105 3.726 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.932 -16.581 1.338 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.608 -17.625 1.813 1.00 0.00 H new ATOM 0 HG2 PRO A 44 0.583 -15.277 -0.078 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.181 -16.844 -0.262 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.528 -14.590 0.611 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.040 -16.222 0.990 1.00 0.00 H new ATOM 704 N TYR A 45 0.947 -13.372 2.108 1.00 0.00 N ATOM 705 CA TYR A 45 1.718 -12.152 1.961 1.00 0.00 C ATOM 706 C TYR A 45 1.203 -11.041 2.876 1.00 0.00 C ATOM 707 O TYR A 45 0.003 -10.774 2.931 1.00 0.00 O ATOM 708 CB TYR A 45 1.680 -11.690 0.505 1.00 0.00 C ATOM 709 CG TYR A 45 2.306 -12.679 -0.450 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.636 -13.052 -0.315 1.00 0.00 C ATOM 711 CD2 TYR A 45 1.567 -13.245 -1.482 1.00 0.00 C ATOM 712 CE1 TYR A 45 4.214 -13.959 -1.181 1.00 0.00 C ATOM 713 CE2 TYR A 45 2.138 -14.154 -2.353 1.00 0.00 C ATOM 714 CZ TYR A 45 3.462 -14.507 -2.198 1.00 0.00 C ATOM 715 OH TYR A 45 4.035 -15.411 -3.062 1.00 0.00 O ATOM 0 H TYR A 45 -0.003 -13.320 1.739 1.00 0.00 H new ATOM 0 HA TYR A 45 2.746 -12.369 2.252 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.644 -11.518 0.212 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.198 -10.735 0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.229 -12.626 0.481 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.530 -12.970 -1.605 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.251 -14.238 -1.062 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.551 -14.585 -3.150 1.00 0.00 H new ATOM 0 HH TYR A 45 3.369 -15.702 -3.720 1.00 0.00 H new ATOM 725 N PHE A 46 2.123 -10.398 3.588 1.00 0.00 N ATOM 726 CA PHE A 46 1.773 -9.311 4.499 1.00 0.00 C ATOM 727 C PHE A 46 2.611 -8.070 4.199 1.00 0.00 C ATOM 728 O PHE A 46 3.838 -8.143 4.132 1.00 0.00 O ATOM 729 CB PHE A 46 1.979 -9.760 5.946 1.00 0.00 C ATOM 730 CG PHE A 46 2.121 -8.628 6.921 1.00 0.00 C ATOM 731 CD1 PHE A 46 1.018 -7.886 7.310 1.00 0.00 C ATOM 732 CD2 PHE A 46 3.360 -8.311 7.452 1.00 0.00 C ATOM 733 CE1 PHE A 46 1.149 -6.848 8.213 1.00 0.00 C ATOM 734 CE2 PHE A 46 3.497 -7.274 8.353 1.00 0.00 C ATOM 735 CZ PHE A 46 2.391 -6.542 8.734 1.00 0.00 C ATOM 0 H PHE A 46 3.120 -10.611 3.552 1.00 0.00 H new ATOM 0 HA PHE A 46 0.723 -9.055 4.355 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.135 -10.381 6.247 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.870 -10.385 5.998 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.045 -8.121 6.903 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.229 -8.881 7.158 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.282 -6.277 8.511 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.469 -7.036 8.759 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.496 -5.731 9.439 1.00 0.00 H new ATOM 745 N LEU A 47 1.943 -6.936 3.999 1.00 0.00 N ATOM 746 CA LEU A 47 2.634 -5.688 3.683 1.00 0.00 C ATOM 747 C LEU A 47 2.336 -4.593 4.699 1.00 0.00 C ATOM 748 O LEU A 47 1.218 -4.081 4.767 1.00 0.00 O ATOM 749 CB LEU A 47 2.228 -5.198 2.294 1.00 0.00 C ATOM 750 CG LEU A 47 3.385 -4.951 1.325 1.00 0.00 C ATOM 751 CD1 LEU A 47 2.981 -3.940 0.264 1.00 0.00 C ATOM 752 CD2 LEU A 47 4.619 -4.474 2.076 1.00 0.00 C ATOM 0 H LEU A 47 0.927 -6.855 4.050 1.00 0.00 H new ATOM 0 HA LEU A 47 3.703 -5.900 3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.554 -5.931 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.664 -4.272 2.404 1.00 0.00 H new ATOM 0 HG LEU A 47 3.628 -5.892 0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.815 -3.775 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.126 -4.321 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.712 -2.998 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.432 -4.304 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.391 -3.545 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.920 -5.232 2.800 1.00 0.00 H new ATOM 764 N ARG A 48 3.351 -4.216 5.466 1.00 0.00 N ATOM 765 CA ARG A 48 3.208 -3.158 6.455 1.00 0.00 C ATOM 766 C ARG A 48 4.190 -2.032 6.154 1.00 0.00 C ATOM 767 O ARG A 48 5.404 -2.227 6.209 1.00 0.00 O ATOM 768 CB ARG A 48 3.445 -3.701 7.867 1.00 0.00 C ATOM 769 CG ARG A 48 3.790 -2.623 8.883 1.00 0.00 C ATOM 770 CD ARG A 48 5.292 -2.403 8.974 1.00 0.00 C ATOM 771 NE ARG A 48 5.695 -1.901 10.285 1.00 0.00 N ATOM 772 CZ ARG A 48 6.867 -1.316 10.518 1.00 0.00 C ATOM 773 NH1 ARG A 48 7.746 -1.173 9.535 1.00 0.00 N ATOM 774 NH2 ARG A 48 7.161 -0.876 11.734 1.00 0.00 N ATOM 0 H ARG A 48 4.283 -4.628 5.421 1.00 0.00 H new ATOM 0 HA ARG A 48 2.191 -2.769 6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.551 -4.229 8.199 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.254 -4.431 7.836 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.301 -1.690 8.605 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.403 -2.907 9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.808 -3.341 8.771 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.602 -1.696 8.205 1.00 0.00 H new ATOM 0 HE ARG A 48 5.044 -2.004 11.063 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.524 -1.512 8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.644 -0.724 9.715 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.488 -0.986 12.493 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.060 -0.428 11.911 1.00 0.00 H new ATOM 788 N LEU A 49 3.663 -0.858 5.819 1.00 0.00 N ATOM 789 CA LEU A 49 4.509 0.288 5.495 1.00 0.00 C ATOM 790 C LEU A 49 3.985 1.568 6.134 1.00 0.00 C ATOM 791 O LEU A 49 2.776 1.781 6.228 1.00 0.00 O ATOM 792 CB LEU A 49 4.592 0.473 3.978 1.00 0.00 C ATOM 793 CG LEU A 49 5.168 -0.712 3.202 1.00 0.00 C ATOM 794 CD1 LEU A 49 5.156 -0.427 1.707 1.00 0.00 C ATOM 795 CD2 LEU A 49 6.580 -1.023 3.672 1.00 0.00 C ATOM 0 H LEU A 49 2.661 -0.675 5.765 1.00 0.00 H new ATOM 0 HA LEU A 49 5.503 0.086 5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.591 0.681 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.201 1.352 3.769 1.00 0.00 H new ATOM 0 HG LEU A 49 4.542 -1.584 3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.569 -1.281 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.132 -0.253 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.758 0.458 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.973 -1.869 3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.217 -0.153 3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.564 -1.270 4.733 1.00 0.00 H new ATOM 807 N THR A 50 4.908 2.426 6.558 1.00 0.00 N ATOM 808 CA THR A 50 4.551 3.699 7.171 1.00 0.00 C ATOM 809 C THR A 50 4.738 4.836 6.173 1.00 0.00 C ATOM 810 O THR A 50 5.859 5.133 5.760 1.00 0.00 O ATOM 811 CB THR A 50 5.397 3.981 8.428 1.00 0.00 C ATOM 812 OG1 THR A 50 5.785 2.765 9.081 1.00 0.00 O ATOM 813 CG2 THR A 50 4.622 4.833 9.422 1.00 0.00 C ATOM 0 H THR A 50 5.912 2.261 6.487 1.00 0.00 H new ATOM 0 HA THR A 50 3.504 3.636 7.468 1.00 0.00 H new ATOM 0 HB THR A 50 6.288 4.514 8.096 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.322 2.976 9.873 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.239 5.019 10.301 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.356 5.783 8.958 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.714 4.309 9.721 1.00 0.00 H new ATOM 821 N LEU A 51 3.633 5.456 5.776 1.00 0.00 N ATOM 822 CA LEU A 51 3.675 6.547 4.807 1.00 0.00 C ATOM 823 C LEU A 51 4.222 7.831 5.430 1.00 0.00 C ATOM 824 O LEU A 51 3.853 8.202 6.543 1.00 0.00 O ATOM 825 CB LEU A 51 2.281 6.790 4.231 1.00 0.00 C ATOM 826 CG LEU A 51 1.587 5.542 3.684 1.00 0.00 C ATOM 827 CD1 LEU A 51 0.076 5.706 3.723 1.00 0.00 C ATOM 828 CD2 LEU A 51 2.058 5.251 2.267 1.00 0.00 C ATOM 0 H LEU A 51 2.697 5.223 6.109 1.00 0.00 H new ATOM 0 HA LEU A 51 4.351 6.255 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.653 7.227 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.357 7.526 3.431 1.00 0.00 H new ATOM 0 HG LEU A 51 1.853 4.696 4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.398 4.807 3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.246 5.865 4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.213 6.564 3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.555 4.360 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.822 6.099 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.135 5.086 2.268 1.00 0.00 H new ATOM 840 N PRO A 52 5.120 8.522 4.706 1.00 0.00 N ATOM 841 CA PRO A 52 5.737 9.771 5.174 1.00 0.00 C ATOM 842 C PRO A 52 4.721 10.884 5.416 1.00 0.00 C ATOM 843 O PRO A 52 4.992 11.830 6.155 1.00 0.00 O ATOM 844 CB PRO A 52 6.673 10.171 4.027 1.00 0.00 C ATOM 845 CG PRO A 52 6.880 8.925 3.237 1.00 0.00 C ATOM 846 CD PRO A 52 5.612 8.135 3.373 1.00 0.00 C ATOM 0 HA PRO A 52 6.238 9.623 6.131 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.231 10.957 3.414 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.619 10.557 4.407 1.00 0.00 H new ATOM 0 HG2 PRO A 52 7.086 9.155 2.192 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.733 8.361 3.614 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.895 8.385 2.591 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.796 7.063 3.307 1.00 0.00 H new ATOM 854 N GLY A 53 3.560 10.776 4.780 1.00 0.00 N ATOM 855 CA GLY A 53 2.539 11.796 4.937 1.00 0.00 C ATOM 856 C GLY A 53 1.306 11.297 5.661 1.00 0.00 C ATOM 857 O GLY A 53 1.401 10.489 6.585 1.00 0.00 O ATOM 0 H GLY A 53 3.308 10.005 4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.958 12.640 5.485 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.250 12.167 3.954 1.00 0.00 H new ATOM 861 N ARG A 54 0.145 11.769 5.222 1.00 0.00 N ATOM 862 CA ARG A 54 -1.123 11.368 5.817 1.00 0.00 C ATOM 863 C ARG A 54 -2.201 11.219 4.749 1.00 0.00 C ATOM 864 O ARG A 54 -2.292 12.030 3.828 1.00 0.00 O ATOM 865 CB ARG A 54 -1.571 12.389 6.867 1.00 0.00 C ATOM 866 CG ARG A 54 -0.429 13.195 7.465 1.00 0.00 C ATOM 867 CD ARG A 54 0.310 12.410 8.536 1.00 0.00 C ATOM 868 NE ARG A 54 0.853 13.280 9.573 1.00 0.00 N ATOM 869 CZ ARG A 54 1.923 14.048 9.401 1.00 0.00 C ATOM 870 NH1 ARG A 54 2.550 14.064 8.233 1.00 0.00 N ATOM 871 NH2 ARG A 54 2.365 14.805 10.396 1.00 0.00 N ATOM 0 H ARG A 54 0.056 12.433 4.453 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.975 10.403 6.301 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.287 13.073 6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.093 11.867 7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.268 13.480 6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.820 14.118 7.894 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.368 11.686 8.988 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.120 11.844 8.077 1.00 0.00 H new ATOM 0 HE ARG A 54 0.386 13.300 10.479 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.211 13.486 7.464 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.371 14.655 8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.883 14.798 11.295 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.187 15.394 10.262 1.00 0.00 H new ATOM 885 N ILE A 55 -3.022 10.182 4.883 1.00 0.00 N ATOM 886 CA ILE A 55 -4.097 9.933 3.931 1.00 0.00 C ATOM 887 C ILE A 55 -5.455 10.009 4.621 1.00 0.00 C ATOM 888 O ILE A 55 -5.693 9.324 5.617 1.00 0.00 O ATOM 889 CB ILE A 55 -3.940 8.547 3.270 1.00 0.00 C ATOM 890 CG1 ILE A 55 -2.688 8.514 2.393 1.00 0.00 C ATOM 891 CG2 ILE A 55 -5.172 8.188 2.450 1.00 0.00 C ATOM 892 CD1 ILE A 55 -2.785 9.392 1.164 1.00 0.00 C ATOM 0 H ILE A 55 -2.963 9.502 5.641 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.039 10.703 3.161 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.834 7.805 4.062 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.830 8.829 2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.500 7.487 2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.034 7.207 1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.048 8.167 3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.318 8.933 1.667 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.861 9.318 0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.622 9.064 0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.942 10.427 1.468 1.00 0.00 H new ATOM 904 N VAL A 56 -6.339 10.855 4.101 1.00 0.00 N ATOM 905 CA VAL A 56 -7.666 11.026 4.685 1.00 0.00 C ATOM 906 C VAL A 56 -8.411 9.700 4.770 1.00 0.00 C ATOM 907 O VAL A 56 -8.165 8.784 3.985 1.00 0.00 O ATOM 908 CB VAL A 56 -8.514 12.034 3.887 1.00 0.00 C ATOM 909 CG1 VAL A 56 -8.598 11.625 2.424 1.00 0.00 C ATOM 910 CG2 VAL A 56 -9.903 12.162 4.494 1.00 0.00 C ATOM 0 H VAL A 56 -6.162 11.432 3.279 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.513 11.415 5.692 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.029 13.009 3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.201 12.350 1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.596 11.592 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.057 10.640 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.488 12.878 3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.399 11.191 4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.819 12.508 5.524 1.00 0.00 H new ATOM 920 N GLU A 57 -9.322 9.605 5.734 1.00 0.00 N ATOM 921 CA GLU A 57 -10.104 8.391 5.931 1.00 0.00 C ATOM 922 C GLU A 57 -11.565 8.613 5.552 1.00 0.00 C ATOM 923 O GLU A 57 -12.230 9.499 6.087 1.00 0.00 O ATOM 924 CB GLU A 57 -10.013 7.925 7.387 1.00 0.00 C ATOM 925 CG GLU A 57 -8.709 8.301 8.076 1.00 0.00 C ATOM 926 CD GLU A 57 -8.935 9.055 9.371 1.00 0.00 C ATOM 927 OE1 GLU A 57 -9.649 8.526 10.249 1.00 0.00 O ATOM 928 OE2 GLU A 57 -8.399 10.174 9.507 1.00 0.00 O ATOM 0 H GLU A 57 -9.536 10.355 6.391 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.690 7.619 5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.845 8.352 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.130 6.842 7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.136 7.397 8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.109 8.913 7.403 1.00 0.00 H new ATOM 935 N ASN A 58 -12.056 7.798 4.625 1.00 0.00 N ATOM 936 CA ASN A 58 -13.438 7.898 4.170 1.00 0.00 C ATOM 937 C ASN A 58 -13.937 6.553 3.653 1.00 0.00 C ATOM 938 O ASN A 58 -15.083 6.170 3.891 1.00 0.00 O ATOM 939 CB ASN A 58 -13.555 8.956 3.070 1.00 0.00 C ATOM 940 CG ASN A 58 -14.788 9.824 3.227 1.00 0.00 C ATOM 941 OD1 ASN A 58 -14.708 10.953 3.709 1.00 0.00 O ATOM 942 ND2 ASN A 58 -15.937 9.300 2.816 1.00 0.00 N ATOM 0 H ASN A 58 -11.517 7.060 4.173 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.056 8.193 5.018 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.667 9.587 3.082 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.583 8.463 2.098 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.800 9.838 2.894 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.957 8.359 2.422 1.00 0.00 H new ATOM 949 N GLY A 59 -13.070 5.844 2.941 1.00 0.00 N ATOM 950 CA GLY A 59 -13.436 4.550 2.396 1.00 0.00 C ATOM 951 C GLY A 59 -13.618 4.592 0.893 1.00 0.00 C ATOM 952 O GLY A 59 -13.570 3.559 0.225 1.00 0.00 O ATOM 0 H GLY A 59 -12.118 6.143 2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.665 3.821 2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.360 4.210 2.863 1.00 0.00 H new ATOM 956 N SER A 60 -13.821 5.792 0.360 1.00 0.00 N ATOM 957 CA SER A 60 -14.007 5.972 -1.074 1.00 0.00 C ATOM 958 C SER A 60 -12.785 5.476 -1.840 1.00 0.00 C ATOM 959 O SER A 60 -12.863 4.501 -2.587 1.00 0.00 O ATOM 960 CB SER A 60 -14.257 7.446 -1.394 1.00 0.00 C ATOM 961 OG SER A 60 -15.501 7.624 -2.049 1.00 0.00 O ATOM 0 H SER A 60 -13.861 6.656 0.901 1.00 0.00 H new ATOM 0 HA SER A 60 -14.874 5.388 -1.383 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.241 8.029 -0.473 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.453 7.825 -2.025 1.00 0.00 H new ATOM 0 HG SER A 60 -15.637 8.575 -2.241 1.00 0.00 H new ATOM 967 N GLU A 61 -11.658 6.152 -1.630 1.00 0.00 N ATOM 968 CA GLU A 61 -10.401 5.789 -2.282 1.00 0.00 C ATOM 969 C GLU A 61 -10.643 5.172 -3.659 1.00 0.00 C ATOM 970 O GLU A 61 -11.648 5.453 -4.310 1.00 0.00 O ATOM 971 CB GLU A 61 -9.619 4.810 -1.403 1.00 0.00 C ATOM 972 CG GLU A 61 -10.126 3.380 -1.489 1.00 0.00 C ATOM 973 CD GLU A 61 -10.222 2.711 -0.131 1.00 0.00 C ATOM 974 OE1 GLU A 61 -9.291 2.887 0.684 1.00 0.00 O ATOM 975 OE2 GLU A 61 -11.227 2.012 0.118 1.00 0.00 O ATOM 0 H GLU A 61 -11.589 6.959 -1.010 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.819 6.701 -2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.569 4.833 -1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.671 5.144 -0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.108 3.375 -1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.460 2.801 -2.129 1.00 0.00 H new ATOM 982 N GLN A 62 -9.710 4.328 -4.091 1.00 0.00 N ATOM 983 CA GLN A 62 -9.815 3.662 -5.384 1.00 0.00 C ATOM 984 C GLN A 62 -8.973 2.389 -5.395 1.00 0.00 C ATOM 985 O GLN A 62 -7.810 2.402 -4.995 1.00 0.00 O ATOM 986 CB GLN A 62 -9.364 4.599 -6.507 1.00 0.00 C ATOM 987 CG GLN A 62 -10.460 5.529 -7.000 1.00 0.00 C ATOM 988 CD GLN A 62 -10.057 6.990 -6.942 1.00 0.00 C ATOM 989 OE1 GLN A 62 -9.141 7.364 -6.209 1.00 0.00 O ATOM 990 NE2 GLN A 62 -10.740 7.824 -7.717 1.00 0.00 N ATOM 0 H GLN A 62 -8.871 4.089 -3.562 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.859 3.395 -5.550 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.523 5.197 -6.155 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.002 4.002 -7.344 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.718 5.268 -8.026 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.356 5.379 -6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.492 7.470 -8.309 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.513 8.818 -7.721 1.00 0.00 H new ATOM 999 N GLY A 63 -9.568 1.290 -5.845 1.00 0.00 N ATOM 1000 CA GLY A 63 -8.852 0.029 -5.884 1.00 0.00 C ATOM 1001 C GLY A 63 -9.046 -0.724 -7.185 1.00 0.00 C ATOM 1002 O GLY A 63 -10.140 -0.738 -7.749 1.00 0.00 O ATOM 0 H GLY A 63 -10.530 1.250 -6.182 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.789 0.217 -5.735 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.184 -0.597 -5.056 1.00 0.00 H new ATOM 1006 N SER A 64 -7.977 -1.357 -7.657 1.00 0.00 N ATOM 1007 CA SER A 64 -8.021 -2.125 -8.894 1.00 0.00 C ATOM 1008 C SER A 64 -6.872 -3.127 -8.942 1.00 0.00 C ATOM 1009 O SER A 64 -5.717 -2.755 -9.156 1.00 0.00 O ATOM 1010 CB SER A 64 -7.954 -1.194 -10.106 1.00 0.00 C ATOM 1011 OG SER A 64 -6.686 -0.569 -10.203 1.00 0.00 O ATOM 0 H SER A 64 -7.066 -1.352 -7.198 1.00 0.00 H new ATOM 0 HA SER A 64 -8.964 -2.671 -8.923 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.153 -1.761 -11.015 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.732 -0.434 -10.028 1.00 0.00 H new ATOM 0 HG SER A 64 -6.032 -1.073 -9.676 1.00 0.00 H new ATOM 1017 N TYR A 65 -7.196 -4.399 -8.735 1.00 0.00 N ATOM 1018 CA TYR A 65 -6.190 -5.455 -8.750 1.00 0.00 C ATOM 1019 C TYR A 65 -6.312 -6.306 -10.009 1.00 0.00 C ATOM 1020 O TYR A 65 -7.414 -6.660 -10.428 1.00 0.00 O ATOM 1021 CB TYR A 65 -6.324 -6.336 -7.503 1.00 0.00 C ATOM 1022 CG TYR A 65 -5.760 -7.730 -7.676 1.00 0.00 C ATOM 1023 CD1 TYR A 65 -4.391 -7.958 -7.612 1.00 0.00 C ATOM 1024 CD2 TYR A 65 -6.597 -8.816 -7.901 1.00 0.00 C ATOM 1025 CE1 TYR A 65 -3.871 -9.229 -7.771 1.00 0.00 C ATOM 1026 CE2 TYR A 65 -6.084 -10.089 -8.060 1.00 0.00 C ATOM 1027 CZ TYR A 65 -4.722 -10.291 -7.994 1.00 0.00 C ATOM 1028 OH TYR A 65 -4.210 -11.557 -8.152 1.00 0.00 O ATOM 0 H TYR A 65 -8.146 -4.723 -8.555 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.206 -4.986 -8.748 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.817 -5.850 -6.670 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.378 -6.411 -7.234 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.722 -7.129 -7.435 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.665 -8.663 -7.952 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.804 -9.389 -7.721 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.748 -10.923 -8.235 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.237 -11.532 -8.041 1.00 0.00 H new ATOM 1038 N ASP A 66 -5.170 -6.638 -10.600 1.00 0.00 N ATOM 1039 CA ASP A 66 -5.142 -7.456 -11.805 1.00 0.00 C ATOM 1040 C ASP A 66 -4.480 -8.800 -11.522 1.00 0.00 C ATOM 1041 O ASP A 66 -3.293 -8.863 -11.204 1.00 0.00 O ATOM 1042 CB ASP A 66 -4.397 -6.728 -12.925 1.00 0.00 C ATOM 1043 CG ASP A 66 -5.332 -6.227 -14.008 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -6.407 -5.693 -13.662 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -4.990 -6.368 -15.200 1.00 0.00 O ATOM 0 H ASP A 66 -4.251 -6.352 -10.263 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.169 -7.634 -12.124 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.847 -5.886 -12.505 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.661 -7.401 -13.366 1.00 0.00 H new ATOM 1050 N ALA A 67 -5.255 -9.871 -11.643 1.00 0.00 N ATOM 1051 CA ALA A 67 -4.743 -11.213 -11.400 1.00 0.00 C ATOM 1052 C ALA A 67 -3.851 -11.669 -12.548 1.00 0.00 C ATOM 1053 O ALA A 67 -2.758 -12.190 -12.330 1.00 0.00 O ATOM 1054 CB ALA A 67 -5.879 -12.202 -11.188 1.00 0.00 C ATOM 0 H ALA A 67 -6.239 -9.836 -11.908 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.145 -11.180 -10.489 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.468 -13.195 -11.009 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.473 -11.895 -10.327 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.511 -12.226 -12.076 1.00 0.00 H new ATOM 1060 N ASP A 68 -4.325 -11.466 -13.773 1.00 0.00 N ATOM 1061 CA ASP A 68 -3.570 -11.852 -14.958 1.00 0.00 C ATOM 1062 C ASP A 68 -2.184 -11.216 -14.947 1.00 0.00 C ATOM 1063 O ASP A 68 -1.175 -11.898 -15.127 1.00 0.00 O ATOM 1064 CB ASP A 68 -4.324 -11.440 -16.222 1.00 0.00 C ATOM 1065 CG ASP A 68 -4.890 -12.629 -16.974 1.00 0.00 C ATOM 1066 OD1 ASP A 68 -4.578 -13.776 -16.591 1.00 0.00 O ATOM 1067 OD2 ASP A 68 -5.645 -12.412 -17.945 1.00 0.00 O ATOM 0 H ASP A 68 -5.229 -11.036 -13.970 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.453 -12.936 -14.951 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.136 -10.764 -15.953 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.652 -10.886 -16.878 1.00 0.00 H new ATOM 1072 N LYS A 69 -2.143 -9.906 -14.732 1.00 0.00 N ATOM 1073 CA LYS A 69 -0.883 -9.175 -14.694 1.00 0.00 C ATOM 1074 C LYS A 69 -0.193 -9.350 -13.344 1.00 0.00 C ATOM 1075 O LYS A 69 1.023 -9.200 -13.233 1.00 0.00 O ATOM 1076 CB LYS A 69 -1.121 -7.689 -14.970 1.00 0.00 C ATOM 1077 CG LYS A 69 0.127 -6.945 -15.413 1.00 0.00 C ATOM 1078 CD LYS A 69 0.368 -5.709 -14.564 1.00 0.00 C ATOM 1079 CE LYS A 69 -0.789 -4.730 -14.663 1.00 0.00 C ATOM 1080 NZ LYS A 69 -0.417 -3.504 -15.423 1.00 0.00 N ATOM 0 H LYS A 69 -2.970 -9.328 -14.581 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.233 -9.581 -15.469 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.886 -7.589 -15.740 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.513 -7.219 -14.068 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.990 -7.608 -15.346 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.027 -6.656 -16.459 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.509 -6.003 -13.524 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.288 -5.220 -14.885 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.635 -5.216 -15.150 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.115 -4.451 -13.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.234 -2.862 -15.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.373 -3.026 -14.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.130 -3.767 -16.388 1.00 0.00 H new ATOM 1094 N GLY A 70 -0.979 -9.675 -12.322 1.00 0.00 N ATOM 1095 CA GLY A 70 -0.428 -9.871 -10.993 1.00 0.00 C ATOM 1096 C GLY A 70 0.061 -8.580 -10.367 1.00 0.00 C ATOM 1097 O GLY A 70 1.252 -8.427 -10.097 1.00 0.00 O ATOM 0 H GLY A 70 -1.988 -9.806 -12.391 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.188 -10.316 -10.351 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.398 -10.580 -11.047 1.00 0.00 H new ATOM 1101 N ILE A 71 -0.859 -7.648 -10.137 1.00 0.00 N ATOM 1102 CA ILE A 71 -0.508 -6.365 -9.538 1.00 0.00 C ATOM 1103 C ILE A 71 -1.726 -5.675 -8.935 1.00 0.00 C ATOM 1104 O ILE A 71 -2.739 -5.481 -9.606 1.00 0.00 O ATOM 1105 CB ILE A 71 0.143 -5.424 -10.570 1.00 0.00 C ATOM 1106 CG1 ILE A 71 1.421 -6.051 -11.131 1.00 0.00 C ATOM 1107 CG2 ILE A 71 0.443 -4.073 -9.940 1.00 0.00 C ATOM 1108 CD1 ILE A 71 2.149 -5.163 -12.115 1.00 0.00 C ATOM 0 H ILE A 71 -1.849 -7.757 -10.355 1.00 0.00 H new ATOM 0 HA ILE A 71 0.208 -6.578 -8.744 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.556 -5.273 -11.392 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.091 -6.290 -10.305 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.170 -6.992 -11.620 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.903 -3.420 -10.682 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.484 -3.623 -9.585 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.126 -4.206 -9.101 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.045 -5.672 -12.471 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.496 -4.944 -12.960 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.432 -4.232 -11.624 1.00 0.00 H new ATOM 1120 N PHE A 72 -1.614 -5.299 -7.665 1.00 0.00 N ATOM 1121 CA PHE A 72 -2.700 -4.623 -6.965 1.00 0.00 C ATOM 1122 C PHE A 72 -2.358 -3.153 -6.740 1.00 0.00 C ATOM 1123 O PHE A 72 -1.374 -2.830 -6.073 1.00 0.00 O ATOM 1124 CB PHE A 72 -2.975 -5.307 -5.624 1.00 0.00 C ATOM 1125 CG PHE A 72 -3.978 -4.583 -4.775 1.00 0.00 C ATOM 1126 CD1 PHE A 72 -4.949 -3.782 -5.356 1.00 0.00 C ATOM 1127 CD2 PHE A 72 -3.951 -4.703 -3.395 1.00 0.00 C ATOM 1128 CE1 PHE A 72 -5.874 -3.114 -4.575 1.00 0.00 C ATOM 1129 CE2 PHE A 72 -4.873 -4.037 -2.609 1.00 0.00 C ATOM 1130 CZ PHE A 72 -5.836 -3.242 -3.201 1.00 0.00 C ATOM 0 H PHE A 72 -0.780 -5.452 -7.099 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.596 -4.683 -7.582 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.332 -6.320 -5.809 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.039 -5.394 -5.072 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.983 -3.679 -6.430 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.201 -5.324 -2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.625 -2.493 -5.039 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.841 -4.138 -1.534 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.558 -2.721 -2.589 1.00 0.00 H new ATOM 1140 N THR A 73 -3.169 -2.264 -7.306 1.00 0.00 N ATOM 1141 CA THR A 73 -2.943 -0.829 -7.169 1.00 0.00 C ATOM 1142 C THR A 73 -4.151 -0.133 -6.555 1.00 0.00 C ATOM 1143 O THR A 73 -5.260 -0.212 -7.083 1.00 0.00 O ATOM 1144 CB THR A 73 -2.634 -0.181 -8.530 1.00 0.00 C ATOM 1145 OG1 THR A 73 -2.462 -1.170 -9.552 1.00 0.00 O ATOM 1146 CG2 THR A 73 -1.369 0.662 -8.456 1.00 0.00 C ATOM 0 H THR A 73 -3.987 -2.511 -7.863 1.00 0.00 H new ATOM 0 HA THR A 73 -2.085 -0.708 -6.508 1.00 0.00 H new ATOM 0 HB THR A 73 -3.486 0.452 -8.779 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.269 -0.728 -10.405 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.172 1.109 -9.430 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.500 1.450 -7.715 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.528 0.031 -8.170 1.00 0.00 H new ATOM 1154 N ILE A 74 -3.933 0.549 -5.434 1.00 0.00 N ATOM 1155 CA ILE A 74 -5.011 1.257 -4.753 1.00 0.00 C ATOM 1156 C ILE A 74 -4.615 2.693 -4.425 1.00 0.00 C ATOM 1157 O ILE A 74 -3.620 2.932 -3.741 1.00 0.00 O ATOM 1158 CB ILE A 74 -5.419 0.540 -3.450 1.00 0.00 C ATOM 1159 CG1 ILE A 74 -6.516 1.326 -2.731 1.00 0.00 C ATOM 1160 CG2 ILE A 74 -4.209 0.356 -2.547 1.00 0.00 C ATOM 1161 CD1 ILE A 74 -7.854 0.619 -2.719 1.00 0.00 C ATOM 0 H ILE A 74 -3.023 0.626 -4.980 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.859 1.267 -5.438 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.812 -0.445 -3.701 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.204 1.514 -1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.631 2.297 -3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.512 -0.151 -1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.458 -0.243 -3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.788 1.331 -2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.585 1.233 -2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.188 0.455 -3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.754 -0.341 -2.212 1.00 0.00 H new ATOM 1173 N ARG A 75 -5.404 3.648 -4.912 1.00 0.00 N ATOM 1174 CA ARG A 75 -5.137 5.061 -4.663 1.00 0.00 C ATOM 1175 C ARG A 75 -5.849 5.528 -3.402 1.00 0.00 C ATOM 1176 O ARG A 75 -6.978 5.122 -3.126 1.00 0.00 O ATOM 1177 CB ARG A 75 -5.574 5.912 -5.858 1.00 0.00 C ATOM 1178 CG ARG A 75 -5.903 5.102 -7.100 1.00 0.00 C ATOM 1179 CD ARG A 75 -5.624 5.894 -8.367 1.00 0.00 C ATOM 1180 NE ARG A 75 -4.232 5.773 -8.793 1.00 0.00 N ATOM 1181 CZ ARG A 75 -3.794 4.848 -9.643 1.00 0.00 C ATOM 1182 NH1 ARG A 75 -4.632 3.955 -10.152 1.00 0.00 N ATOM 1183 NH2 ARG A 75 -2.513 4.814 -9.983 1.00 0.00 N ATOM 0 H ARG A 75 -6.232 3.469 -5.480 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.063 5.182 -4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.449 6.497 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.781 6.620 -6.097 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.314 4.185 -7.105 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.952 4.807 -7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.279 5.544 -9.165 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.861 6.944 -8.198 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.556 6.437 -8.416 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.618 3.975 -9.892 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.290 3.248 -10.803 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.864 5.497 -9.593 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.177 4.105 -10.635 1.00 0.00 H new ATOM 1197 N LEU A 76 -5.173 6.371 -2.633 1.00 0.00 N ATOM 1198 CA LEU A 76 -5.728 6.883 -1.389 1.00 0.00 C ATOM 1199 C LEU A 76 -5.628 8.406 -1.315 1.00 0.00 C ATOM 1200 O LEU A 76 -4.564 8.981 -1.538 1.00 0.00 O ATOM 1201 CB LEU A 76 -4.995 6.250 -0.207 1.00 0.00 C ATOM 1202 CG LEU A 76 -4.997 4.721 -0.184 1.00 0.00 C ATOM 1203 CD1 LEU A 76 -3.610 4.181 -0.495 1.00 0.00 C ATOM 1204 CD2 LEU A 76 -5.481 4.208 1.164 1.00 0.00 C ATOM 0 H LEU A 76 -4.238 6.715 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.785 6.620 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.961 6.596 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.447 6.612 0.716 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.684 4.366 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.631 3.091 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.301 4.519 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.902 4.545 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.476 3.118 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.820 4.572 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.494 4.566 1.347 1.00 0.00 H new ATOM 1216 N PRO A 77 -6.749 9.076 -0.994 1.00 0.00 N ATOM 1217 CA PRO A 77 -6.800 10.541 -0.882 1.00 0.00 C ATOM 1218 C PRO A 77 -5.970 11.059 0.291 1.00 0.00 C ATOM 1219 O PRO A 77 -5.808 10.373 1.299 1.00 0.00 O ATOM 1220 CB PRO A 77 -8.287 10.831 -0.656 1.00 0.00 C ATOM 1221 CG PRO A 77 -8.842 9.570 -0.090 1.00 0.00 C ATOM 1222 CD PRO A 77 -8.053 8.453 -0.711 1.00 0.00 C ATOM 0 HA PRO A 77 -6.388 11.032 -1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.427 11.667 0.030 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.784 11.098 -1.589 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.749 9.556 0.996 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.903 9.473 -0.320 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.955 7.605 -0.034 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.527 8.082 -1.620 1.00 0.00 H new ATOM 1230 N LYS A 78 -5.451 12.275 0.163 1.00 0.00 N ATOM 1231 CA LYS A 78 -4.642 12.865 1.225 1.00 0.00 C ATOM 1232 C LYS A 78 -5.491 13.705 2.173 1.00 0.00 C ATOM 1233 O LYS A 78 -6.550 14.206 1.798 1.00 0.00 O ATOM 1234 CB LYS A 78 -3.535 13.735 0.629 1.00 0.00 C ATOM 1235 CG LYS A 78 -3.145 13.343 -0.785 1.00 0.00 C ATOM 1236 CD LYS A 78 -1.688 13.668 -1.065 1.00 0.00 C ATOM 1237 CE LYS A 78 -0.884 12.408 -1.333 1.00 0.00 C ATOM 1238 NZ LYS A 78 0.548 12.707 -1.608 1.00 0.00 N ATOM 0 H LYS A 78 -5.574 12.868 -0.658 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.199 12.046 1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.862 14.775 0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.655 13.676 1.269 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.316 12.276 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.781 13.867 -1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.621 14.335 -1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.262 14.200 -0.215 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.956 11.742 -0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.313 11.878 -2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.149 12.035 -1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.731 12.619 -2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.766 13.676 -1.299 1.00 0.00 H new ATOM 1252 N GLU A 79 -5.004 13.868 3.401 1.00 0.00 N ATOM 1253 CA GLU A 79 -5.703 14.665 4.400 1.00 0.00 C ATOM 1254 C GLU A 79 -5.610 16.145 4.035 1.00 0.00 C ATOM 1255 O GLU A 79 -6.406 16.964 4.495 1.00 0.00 O ATOM 1256 CB GLU A 79 -5.109 14.404 5.794 1.00 0.00 C ATOM 1257 CG GLU A 79 -4.996 15.641 6.674 1.00 0.00 C ATOM 1258 CD GLU A 79 -4.696 15.301 8.121 1.00 0.00 C ATOM 1259 OE1 GLU A 79 -3.527 14.987 8.427 1.00 0.00 O ATOM 1260 OE2 GLU A 79 -5.630 15.349 8.948 1.00 0.00 O ATOM 0 H GLU A 79 -4.128 13.458 3.726 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.755 14.379 4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.726 13.665 6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.118 13.966 5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.209 16.288 6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.927 16.205 6.623 1.00 0.00 H new ATOM 1267 N THR A 80 -4.634 16.469 3.194 1.00 0.00 N ATOM 1268 CA THR A 80 -4.423 17.838 2.743 1.00 0.00 C ATOM 1269 C THR A 80 -3.904 17.855 1.309 1.00 0.00 C ATOM 1270 O THR A 80 -2.856 17.281 1.011 1.00 0.00 O ATOM 1271 CB THR A 80 -3.426 18.586 3.649 1.00 0.00 C ATOM 1272 OG1 THR A 80 -3.989 18.847 4.942 1.00 0.00 O ATOM 1273 CG2 THR A 80 -3.018 19.912 3.027 1.00 0.00 C ATOM 0 H THR A 80 -3.972 15.795 2.809 1.00 0.00 H new ATOM 0 HA THR A 80 -5.387 18.345 2.792 1.00 0.00 H new ATOM 0 HB THR A 80 -2.553 17.942 3.757 1.00 0.00 H new ATOM 0 HG1 THR A 80 -3.333 19.321 5.495 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.314 20.421 3.685 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.546 19.731 2.061 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.901 20.536 2.888 1.00 0.00 H new ATOM 1281 N PRO A 81 -4.640 18.507 0.397 1.00 0.00 N ATOM 1282 CA PRO A 81 -4.262 18.593 -1.018 1.00 0.00 C ATOM 1283 C PRO A 81 -2.890 19.225 -1.221 1.00 0.00 C ATOM 1284 O PRO A 81 -2.442 20.040 -0.415 1.00 0.00 O ATOM 1285 CB PRO A 81 -5.355 19.475 -1.638 1.00 0.00 C ATOM 1286 CG PRO A 81 -6.010 20.158 -0.485 1.00 0.00 C ATOM 1287 CD PRO A 81 -5.900 19.210 0.673 1.00 0.00 C ATOM 0 HA PRO A 81 -4.188 17.605 -1.472 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.929 20.198 -2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.072 18.876 -2.200 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.519 21.105 -0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.053 20.384 -0.707 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.869 19.737 1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.746 18.524 0.716 1.00 0.00 H new ATOM 1295 N GLY A 82 -2.227 18.845 -2.311 1.00 0.00 N ATOM 1296 CA GLY A 82 -0.914 19.383 -2.610 1.00 0.00 C ATOM 1297 C GLY A 82 0.184 18.730 -1.795 1.00 0.00 C ATOM 1298 O GLY A 82 1.363 19.028 -1.981 1.00 0.00 O ATOM 0 H GLY A 82 -2.578 18.172 -2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.703 19.248 -3.671 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.913 20.456 -2.419 1.00 0.00 H new ATOM 1302 N GLN A 83 -0.201 17.841 -0.885 1.00 0.00 N ATOM 1303 CA GLN A 83 0.764 17.151 -0.035 1.00 0.00 C ATOM 1304 C GLN A 83 1.464 16.030 -0.796 1.00 0.00 C ATOM 1305 O GLN A 83 0.828 15.255 -1.509 1.00 0.00 O ATOM 1306 CB GLN A 83 0.072 16.580 1.204 1.00 0.00 C ATOM 1307 CG GLN A 83 1.042 16.058 2.251 1.00 0.00 C ATOM 1308 CD GLN A 83 0.361 15.737 3.568 1.00 0.00 C ATOM 1309 OE1 GLN A 83 -0.609 14.982 3.610 1.00 0.00 O ATOM 1310 NE2 GLN A 83 0.869 16.312 4.652 1.00 0.00 N ATOM 0 H GLN A 83 -1.173 17.581 -0.717 1.00 0.00 H new ATOM 0 HA GLN A 83 1.514 17.879 0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.552 17.354 1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.592 15.771 0.900 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.532 15.161 1.872 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.822 16.800 2.421 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.675 16.932 4.570 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.453 16.134 5.566 1.00 0.00 H new ATOM 1319 N HIS A 84 2.781 15.950 -0.632 1.00 0.00 N ATOM 1320 CA HIS A 84 3.576 14.922 -1.295 1.00 0.00 C ATOM 1321 C HIS A 84 4.396 14.140 -0.275 1.00 0.00 C ATOM 1322 O HIS A 84 5.267 14.698 0.394 1.00 0.00 O ATOM 1323 CB HIS A 84 4.501 15.552 -2.335 1.00 0.00 C ATOM 1324 CG HIS A 84 5.629 14.659 -2.752 1.00 0.00 C ATOM 1325 ND1 HIS A 84 6.747 15.118 -3.416 1.00 0.00 N ATOM 1326 CD2 HIS A 84 5.810 13.325 -2.593 1.00 0.00 C ATOM 1327 CE1 HIS A 84 7.565 14.106 -3.649 1.00 0.00 C ATOM 1328 NE2 HIS A 84 7.020 13.009 -3.158 1.00 0.00 N ATOM 0 H HIS A 84 3.321 16.586 -0.045 1.00 0.00 H new ATOM 0 HA HIS A 84 2.896 14.235 -1.798 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.916 15.820 -3.215 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.911 16.478 -1.931 1.00 0.00 H new ATOM 0 HD2 HIS A 84 5.129 12.639 -2.111 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.517 14.167 -4.155 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.432 12.076 -3.193 1.00 0.00 H new ATOM 1337 N PHE A 85 4.114 12.846 -0.156 1.00 0.00 N ATOM 1338 CA PHE A 85 4.825 11.997 0.785 1.00 0.00 C ATOM 1339 C PHE A 85 6.279 11.821 0.360 1.00 0.00 C ATOM 1340 O PHE A 85 6.613 10.906 -0.391 1.00 0.00 O ATOM 1341 CB PHE A 85 4.140 10.636 0.881 1.00 0.00 C ATOM 1342 CG PHE A 85 2.728 10.705 1.392 1.00 0.00 C ATOM 1343 CD1 PHE A 85 2.122 11.928 1.642 1.00 0.00 C ATOM 1344 CD2 PHE A 85 2.005 9.546 1.617 1.00 0.00 C ATOM 1345 CE1 PHE A 85 0.822 11.990 2.107 1.00 0.00 C ATOM 1346 CE2 PHE A 85 0.704 9.601 2.082 1.00 0.00 C ATOM 1347 CZ PHE A 85 0.112 10.825 2.326 1.00 0.00 C ATOM 0 H PHE A 85 3.398 12.366 -0.701 1.00 0.00 H new ATOM 0 HA PHE A 85 4.807 12.476 1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.138 10.170 -0.104 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.724 9.991 1.538 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.672 12.841 1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.463 8.587 1.427 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.362 12.948 2.299 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.152 8.689 2.254 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.905 10.871 2.688 1.00 0.00 H new ATOM 1357 N GLU A 86 7.134 12.720 0.834 1.00 0.00 N ATOM 1358 CA GLU A 86 8.550 12.688 0.496 1.00 0.00 C ATOM 1359 C GLU A 86 9.288 11.570 1.228 1.00 0.00 C ATOM 1360 O GLU A 86 8.741 10.913 2.113 1.00 0.00 O ATOM 1361 CB GLU A 86 9.193 14.033 0.840 1.00 0.00 C ATOM 1362 CG GLU A 86 8.835 15.149 -0.127 1.00 0.00 C ATOM 1363 CD GLU A 86 9.323 16.504 0.345 1.00 0.00 C ATOM 1364 OE1 GLU A 86 10.334 16.548 1.077 1.00 0.00 O ATOM 1365 OE2 GLU A 86 8.696 17.522 -0.018 1.00 0.00 O ATOM 0 H GLU A 86 6.868 13.483 1.456 1.00 0.00 H new ATOM 0 HA GLU A 86 8.629 12.495 -0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.888 14.324 1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.276 13.913 0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.266 14.931 -1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.753 15.181 -0.256 1.00 0.00 H new ATOM 1372 N GLY A 87 10.551 11.387 0.854 1.00 0.00 N ATOM 1373 CA GLY A 87 11.393 10.379 1.473 1.00 0.00 C ATOM 1374 C GLY A 87 10.724 9.028 1.655 1.00 0.00 C ATOM 1375 O GLY A 87 11.024 8.318 2.611 1.00 0.00 O ATOM 0 H GLY A 87 11.011 11.928 0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.289 10.248 0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 87 11.719 10.744 2.447 1.00 0.00 H new ATOM 1379 N LEU A 88 9.830 8.654 0.747 1.00 0.00 N ATOM 1380 CA LEU A 88 9.162 7.364 0.854 1.00 0.00 C ATOM 1381 C LEU A 88 10.168 6.281 1.237 1.00 0.00 C ATOM 1382 O LEU A 88 9.976 5.553 2.213 1.00 0.00 O ATOM 1383 CB LEU A 88 8.497 6.994 -0.466 1.00 0.00 C ATOM 1384 CG LEU A 88 7.563 8.054 -1.053 1.00 0.00 C ATOM 1385 CD1 LEU A 88 7.465 7.899 -2.563 1.00 0.00 C ATOM 1386 CD2 LEU A 88 6.183 7.956 -0.417 1.00 0.00 C ATOM 0 H LEU A 88 9.555 9.216 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 88 8.398 7.439 1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.276 6.776 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.930 6.075 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 88 7.976 9.039 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.797 8.661 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.454 8.015 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.074 6.910 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.530 8.717 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.763 6.968 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.266 8.113 0.658 1.00 0.00 H new ATOM 1398 N ASN A 89 11.246 6.192 0.463 1.00 0.00 N ATOM 1399 CA ASN A 89 12.298 5.210 0.711 1.00 0.00 C ATOM 1400 C ASN A 89 13.455 5.847 1.474 1.00 0.00 C ATOM 1401 O ASN A 89 14.032 5.237 2.374 1.00 0.00 O ATOM 1402 CB ASN A 89 12.803 4.625 -0.608 1.00 0.00 C ATOM 1403 CG ASN A 89 11.725 3.870 -1.359 1.00 0.00 C ATOM 1404 OD1 ASN A 89 10.588 3.767 -0.899 1.00 0.00 O ATOM 1405 ND2 ASN A 89 12.077 3.338 -2.524 1.00 0.00 N ATOM 0 H ASN A 89 11.415 6.791 -0.345 1.00 0.00 H new ATOM 0 HA ASN A 89 11.879 4.406 1.316 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.183 5.430 -1.237 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.639 3.955 -0.408 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.393 2.820 -3.075 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.031 3.448 -2.867 1.00 0.00 H new