USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 822 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 11 LYS NZ :NH3+ 180:sc= 1.9 (180deg=1.11) USER MOD Set 1.2: A 67 THR OG1 : rot 100:sc= 0.712 USER MOD Set 2.1: A 37 CYS SG : rot 171:sc= 0.297 USER MOD Set 2.2: A 40 CYS SG : rot 85:sc= -0.378 USER MOD Set 3.1: A 26 LYS NZ :NH3+ -172:sc= 1.09 (180deg=0.46) USER MOD Set 3.2: A 59 THR OG1 : rot -78:sc= 0.633 USER MOD Single : A 9 THR OG1 : rot -26:sc= 0.132 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 70:sc= 1.05 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 25 ASN : amide:sc= 0.684 K(o=0.68,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00304 USER MOD Single : A 41 LYS NZ :NH3+ -145:sc= 0.88 (180deg=0.0534) USER MOD Single : A 42 MET CE :methyl -174:sc= 0 (180deg=-0.0491) USER MOD Single : A 52 THR OG1 : rot 82:sc= 0.855 USER MOD Single : A 56 THR OG1 : rot 91:sc= 1.23 USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= 1.3 (180deg=1.16) USER MOD Single : A 68 ASN : amide:sc= 0.692 K(o=0.69,f=-4.6!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.0541 X(o=0.054,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 165:sc= 0.448 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 164:sc= 2.17 (180deg=2) USER MOD Single : A 99 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.23) USER MOD Single : A 101 LYS NZ :NH3+ -168:sc= 2.36 (180deg=2.24) USER MOD Single : A 109 SER OG : rot -89:sc= 0.241 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 9 3.307 -1.457 10.290 1.00 0.00 N ATOM 115 CA THR A 9 2.207 -1.560 9.306 1.00 0.00 C ATOM 116 C THR A 9 0.820 -1.544 9.972 1.00 0.00 C ATOM 117 O THR A 9 0.671 -1.903 11.143 1.00 0.00 O ATOM 118 CB THR A 9 2.340 -2.821 8.433 1.00 0.00 C ATOM 119 OG1 THR A 9 2.494 -3.970 9.240 1.00 0.00 O ATOM 120 CG2 THR A 9 3.542 -2.751 7.491 1.00 0.00 C ATOM 0 HA THR A 9 2.292 -0.677 8.672 1.00 0.00 H new ATOM 0 HB THR A 9 1.426 -2.879 7.843 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.886 -3.715 10.101 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.592 -3.663 6.897 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.435 -1.892 6.828 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.456 -2.647 8.075 1.00 0.00 H new ATOM 128 N ILE A 10 -0.207 -1.142 9.212 1.00 0.00 N ATOM 129 CA ILE A 10 -1.631 -1.148 9.612 1.00 0.00 C ATOM 130 C ILE A 10 -2.505 -1.839 8.552 1.00 0.00 C ATOM 131 O ILE A 10 -2.137 -1.860 7.378 1.00 0.00 O ATOM 132 CB ILE A 10 -2.146 0.282 9.918 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.067 1.223 8.692 1.00 0.00 C ATOM 134 CG2 ILE A 10 -1.400 0.866 11.132 1.00 0.00 C ATOM 135 CD1 ILE A 10 -2.706 2.601 8.910 1.00 0.00 C ATOM 0 H ILE A 10 -0.070 -0.789 8.265 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.706 -1.725 10.534 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.205 0.203 10.164 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.020 1.360 8.421 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.555 0.739 7.846 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.770 1.870 11.338 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.569 0.232 12.002 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.332 0.910 10.917 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.606 3.196 8.002 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.762 2.478 9.149 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.204 3.109 9.734 1.00 0.00 H new ATOM 147 N LYS A 11 -3.672 -2.374 8.930 1.00 0.00 N ATOM 148 CA LYS A 11 -4.691 -2.879 7.985 1.00 0.00 C ATOM 149 C LYS A 11 -5.803 -1.846 7.761 1.00 0.00 C ATOM 150 O LYS A 11 -6.253 -1.206 8.714 1.00 0.00 O ATOM 151 CB LYS A 11 -5.216 -4.250 8.452 1.00 0.00 C ATOM 152 CG LYS A 11 -6.241 -4.856 7.475 1.00 0.00 C ATOM 153 CD LYS A 11 -6.554 -6.322 7.807 1.00 0.00 C ATOM 154 CE LYS A 11 -7.656 -6.849 6.877 1.00 0.00 C ATOM 155 NZ LYS A 11 -7.795 -8.326 6.968 1.00 0.00 N ATOM 0 H LYS A 11 -3.944 -2.472 9.908 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.230 -3.032 7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.377 -4.937 8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.675 -4.143 9.435 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.161 -4.273 7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.856 -4.789 6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.655 -6.928 7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.872 -6.408 8.846 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.605 -6.378 7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.429 -6.568 5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.549 -8.644 6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.897 -8.776 6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.037 -8.592 7.944 1.00 0.00 H new ATOM 169 N VAL A 12 -6.259 -1.710 6.515 1.00 0.00 N ATOM 170 CA VAL A 12 -7.393 -0.862 6.095 1.00 0.00 C ATOM 171 C VAL A 12 -8.426 -1.671 5.300 1.00 0.00 C ATOM 172 O VAL A 12 -8.098 -2.701 4.710 1.00 0.00 O ATOM 173 CB VAL A 12 -6.931 0.389 5.310 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.076 1.312 6.186 1.00 0.00 C ATOM 175 CG2 VAL A 12 -6.150 0.059 4.030 1.00 0.00 C ATOM 0 H VAL A 12 -5.835 -2.206 5.731 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.875 -0.503 7.004 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.851 0.894 5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.767 2.181 5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.659 1.639 7.047 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.193 0.773 6.529 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.859 0.984 3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.257 -0.512 4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.779 -0.530 3.362 1.00 0.00 H new ATOM 185 N THR A 13 -9.680 -1.212 5.290 1.00 0.00 N ATOM 186 CA THR A 13 -10.797 -1.762 4.491 1.00 0.00 C ATOM 187 C THR A 13 -11.683 -0.632 3.960 1.00 0.00 C ATOM 188 O THR A 13 -11.696 0.459 4.531 1.00 0.00 O ATOM 189 CB THR A 13 -11.668 -2.745 5.298 1.00 0.00 C ATOM 190 OG1 THR A 13 -12.247 -2.119 6.424 1.00 0.00 O ATOM 191 CG2 THR A 13 -10.906 -3.977 5.788 1.00 0.00 C ATOM 0 H THR A 13 -9.965 -0.415 5.859 1.00 0.00 H new ATOM 0 HA THR A 13 -10.347 -2.308 3.662 1.00 0.00 H new ATOM 0 HB THR A 13 -12.438 -3.069 4.598 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.794 -2.768 6.914 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.582 -4.624 6.348 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.507 -4.522 4.933 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.085 -3.664 6.433 1.00 0.00 H new ATOM 199 N ASP A 14 -12.458 -0.872 2.899 1.00 0.00 N ATOM 200 CA ASP A 14 -13.323 0.123 2.239 1.00 0.00 C ATOM 201 C ASP A 14 -14.285 0.862 3.196 1.00 0.00 C ATOM 202 O ASP A 14 -14.592 2.037 2.984 1.00 0.00 O ATOM 203 CB ASP A 14 -14.121 -0.597 1.142 1.00 0.00 C ATOM 204 CG ASP A 14 -15.046 0.354 0.364 1.00 0.00 C ATOM 205 OD1 ASP A 14 -14.544 1.158 -0.456 1.00 0.00 O ATOM 206 OD2 ASP A 14 -16.283 0.282 0.560 1.00 0.00 O ATOM 0 H ASP A 14 -12.506 -1.791 2.458 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.676 0.898 1.828 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.429 -1.074 0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.717 -1.390 1.593 1.00 0.00 H new ATOM 211 N ALA A 15 -14.709 0.211 4.288 1.00 0.00 N ATOM 212 CA ALA A 15 -15.576 0.790 5.317 1.00 0.00 C ATOM 213 C ALA A 15 -14.925 1.943 6.121 1.00 0.00 C ATOM 214 O ALA A 15 -15.643 2.767 6.696 1.00 0.00 O ATOM 215 CB ALA A 15 -16.019 -0.348 6.244 1.00 0.00 C ATOM 0 H ALA A 15 -14.451 -0.756 4.483 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.428 1.254 4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.668 0.050 7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.562 -1.097 5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.142 -0.807 6.701 1.00 0.00 H new ATOM 221 N SER A 16 -13.587 2.024 6.141 1.00 0.00 N ATOM 222 CA SER A 16 -12.798 3.030 6.877 1.00 0.00 C ATOM 223 C SER A 16 -11.707 3.702 6.028 1.00 0.00 C ATOM 224 O SER A 16 -11.066 4.646 6.489 1.00 0.00 O ATOM 225 CB SER A 16 -12.163 2.396 8.124 1.00 0.00 C ATOM 226 OG SER A 16 -13.154 1.846 8.984 1.00 0.00 O ATOM 0 H SER A 16 -13.000 1.367 5.627 1.00 0.00 H new ATOM 0 HA SER A 16 -13.499 3.814 7.163 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.465 1.615 7.823 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.586 3.147 8.663 1.00 0.00 H new ATOM 0 HG SER A 16 -12.722 1.448 9.768 1.00 0.00 H new ATOM 232 N PHE A 17 -11.510 3.272 4.775 1.00 0.00 N ATOM 233 CA PHE A 17 -10.465 3.732 3.853 1.00 0.00 C ATOM 234 C PHE A 17 -10.452 5.256 3.689 1.00 0.00 C ATOM 235 O PHE A 17 -9.387 5.871 3.691 1.00 0.00 O ATOM 236 CB PHE A 17 -10.677 3.035 2.499 1.00 0.00 C ATOM 237 CG PHE A 17 -9.653 3.375 1.432 1.00 0.00 C ATOM 238 CD1 PHE A 17 -9.850 4.485 0.586 1.00 0.00 C ATOM 239 CD2 PHE A 17 -8.515 2.564 1.263 1.00 0.00 C ATOM 240 CE1 PHE A 17 -8.908 4.785 -0.414 1.00 0.00 C ATOM 241 CE2 PHE A 17 -7.583 2.857 0.251 1.00 0.00 C ATOM 242 CZ PHE A 17 -7.776 3.971 -0.583 1.00 0.00 C ATOM 0 H PHE A 17 -12.106 2.558 4.356 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.492 3.469 4.268 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.669 1.957 2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.668 3.295 2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.726 5.106 0.706 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.357 1.715 1.912 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -9.055 5.643 -1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.718 2.225 0.115 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.055 4.201 -1.353 1.00 0.00 H new ATOM 252 N ALA A 18 -11.622 5.893 3.603 1.00 0.00 N ATOM 253 CA ALA A 18 -11.695 7.345 3.482 1.00 0.00 C ATOM 254 C ALA A 18 -11.215 8.084 4.748 1.00 0.00 C ATOM 255 O ALA A 18 -10.602 9.146 4.642 1.00 0.00 O ATOM 256 CB ALA A 18 -13.115 7.740 3.072 1.00 0.00 C ATOM 0 H ALA A 18 -12.528 5.425 3.615 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.001 7.661 2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.179 8.824 2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.359 7.279 2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.821 7.399 3.829 1.00 0.00 H new ATOM 262 N THR A 19 -11.428 7.519 5.939 1.00 0.00 N ATOM 263 CA THR A 19 -10.926 8.061 7.218 1.00 0.00 C ATOM 264 C THR A 19 -9.447 7.727 7.464 1.00 0.00 C ATOM 265 O THR A 19 -8.729 8.511 8.081 1.00 0.00 O ATOM 266 CB THR A 19 -11.783 7.544 8.390 1.00 0.00 C ATOM 267 OG1 THR A 19 -13.162 7.694 8.100 1.00 0.00 O ATOM 268 CG2 THR A 19 -11.528 8.296 9.698 1.00 0.00 C ATOM 0 H THR A 19 -11.962 6.657 6.051 1.00 0.00 H new ATOM 0 HA THR A 19 -11.005 9.146 7.154 1.00 0.00 H new ATOM 0 HB THR A 19 -11.502 6.498 8.514 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.693 7.360 8.853 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.162 7.885 10.484 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.481 8.188 9.982 1.00 0.00 H new ATOM 0 HG23 THR A 19 -11.759 9.352 9.561 1.00 0.00 H new ATOM 276 N ASP A 20 -8.964 6.581 6.975 1.00 0.00 N ATOM 277 CA ASP A 20 -7.591 6.114 7.226 1.00 0.00 C ATOM 278 C ASP A 20 -6.579 6.622 6.186 1.00 0.00 C ATOM 279 O ASP A 20 -5.450 6.971 6.534 1.00 0.00 O ATOM 280 CB ASP A 20 -7.561 4.577 7.281 1.00 0.00 C ATOM 281 CG ASP A 20 -8.289 3.979 8.498 1.00 0.00 C ATOM 282 OD1 ASP A 20 -8.216 4.557 9.610 1.00 0.00 O ATOM 283 OD2 ASP A 20 -8.891 2.889 8.355 1.00 0.00 O ATOM 0 H ASP A 20 -9.512 5.948 6.393 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.289 6.530 8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.012 4.182 6.371 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.523 4.244 7.292 1.00 0.00 H new ATOM 288 N VAL A 21 -6.979 6.660 4.911 1.00 0.00 N ATOM 289 CA VAL A 21 -6.119 6.988 3.764 1.00 0.00 C ATOM 290 C VAL A 21 -6.429 8.390 3.230 1.00 0.00 C ATOM 291 O VAL A 21 -5.537 9.235 3.148 1.00 0.00 O ATOM 292 CB VAL A 21 -6.251 5.913 2.660 1.00 0.00 C ATOM 293 CG1 VAL A 21 -5.242 6.128 1.530 1.00 0.00 C ATOM 294 CG2 VAL A 21 -6.026 4.500 3.222 1.00 0.00 C ATOM 0 H VAL A 21 -7.941 6.457 4.638 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.082 6.991 4.100 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.265 6.008 2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.369 5.351 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.407 7.105 1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.230 6.081 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.126 3.769 2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.026 4.434 3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.766 4.294 3.995 1.00 0.00 H new ATOM 304 N LEU A 22 -7.697 8.680 2.914 1.00 0.00 N ATOM 305 CA LEU A 22 -8.085 9.943 2.259 1.00 0.00 C ATOM 306 C LEU A 22 -8.193 11.144 3.218 1.00 0.00 C ATOM 307 O LEU A 22 -8.129 12.289 2.769 1.00 0.00 O ATOM 308 CB LEU A 22 -9.364 9.762 1.421 1.00 0.00 C ATOM 309 CG LEU A 22 -9.338 8.577 0.436 1.00 0.00 C ATOM 310 CD1 LEU A 22 -10.662 8.511 -0.327 1.00 0.00 C ATOM 311 CD2 LEU A 22 -8.203 8.666 -0.584 1.00 0.00 C ATOM 0 H LEU A 22 -8.480 8.054 3.102 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.264 10.193 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.208 9.633 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.544 10.678 0.858 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.178 7.682 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.640 7.672 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.482 8.376 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.809 9.438 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.241 7.802 -1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.311 9.578 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.246 8.681 -0.063 1.00 0.00 H new ATOM 323 N SER A 23 -8.308 10.904 4.530 1.00 0.00 N ATOM 324 CA SER A 23 -8.334 11.957 5.564 1.00 0.00 C ATOM 325 C SER A 23 -6.942 12.285 6.134 1.00 0.00 C ATOM 326 O SER A 23 -6.814 13.174 6.981 1.00 0.00 O ATOM 327 CB SER A 23 -9.330 11.626 6.677 1.00 0.00 C ATOM 328 OG SER A 23 -10.643 11.511 6.152 1.00 0.00 O ATOM 0 H SER A 23 -8.387 9.962 4.913 1.00 0.00 H new ATOM 0 HA SER A 23 -8.676 12.862 5.062 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.044 10.694 7.164 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.304 12.404 7.440 1.00 0.00 H new ATOM 0 HG SER A 23 -10.707 10.700 5.605 1.00 0.00 H new ATOM 334 N SER A 24 -5.893 11.574 5.699 1.00 0.00 N ATOM 335 CA SER A 24 -4.513 11.773 6.166 1.00 0.00 C ATOM 336 C SER A 24 -3.912 13.104 5.690 1.00 0.00 C ATOM 337 O SER A 24 -4.100 13.508 4.540 1.00 0.00 O ATOM 338 CB SER A 24 -3.626 10.612 5.712 1.00 0.00 C ATOM 339 OG SER A 24 -2.342 10.756 6.294 1.00 0.00 O ATOM 0 H SER A 24 -5.980 10.834 5.003 1.00 0.00 H new ATOM 0 HA SER A 24 -4.551 11.806 7.255 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.069 9.661 6.009 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.547 10.601 4.625 1.00 0.00 H new ATOM 0 HG SER A 24 -1.768 10.014 6.009 1.00 0.00 H new ATOM 345 N ASN A 25 -3.142 13.762 6.566 1.00 0.00 N ATOM 346 CA ASN A 25 -2.421 15.016 6.295 1.00 0.00 C ATOM 347 C ASN A 25 -0.944 14.780 5.879 1.00 0.00 C ATOM 348 O ASN A 25 -0.176 15.732 5.722 1.00 0.00 O ATOM 349 CB ASN A 25 -2.576 15.930 7.532 1.00 0.00 C ATOM 350 CG ASN A 25 -2.603 17.420 7.205 1.00 0.00 C ATOM 351 OD1 ASN A 25 -3.595 18.106 7.415 1.00 0.00 O ATOM 352 ND2 ASN A 25 -1.526 17.982 6.707 1.00 0.00 N ATOM 0 H ASN A 25 -2.998 13.425 7.518 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.857 15.515 5.430 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.497 15.666 8.052 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.754 15.735 8.220 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.521 18.981 6.499 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.694 17.420 6.528 1.00 0.00 H new ATOM 359 N LYS A 26 -0.532 13.514 5.719 1.00 0.00 N ATOM 360 CA LYS A 26 0.821 13.063 5.331 1.00 0.00 C ATOM 361 C LYS A 26 0.754 12.038 4.182 1.00 0.00 C ATOM 362 O LYS A 26 -0.338 11.538 3.893 1.00 0.00 O ATOM 363 CB LYS A 26 1.561 12.513 6.575 1.00 0.00 C ATOM 364 CG LYS A 26 0.878 11.287 7.207 1.00 0.00 C ATOM 365 CD LYS A 26 1.672 10.657 8.360 1.00 0.00 C ATOM 366 CE LYS A 26 2.960 9.970 7.882 1.00 0.00 C ATOM 367 NZ LYS A 26 3.448 8.991 8.888 1.00 0.00 N ATOM 0 H LYS A 26 -1.167 12.729 5.864 1.00 0.00 H new ATOM 0 HA LYS A 26 1.391 13.911 4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.579 12.246 6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.634 13.303 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.105 11.580 7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.718 10.534 6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.924 11.429 9.087 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.045 9.928 8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.775 9.462 6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.729 10.720 7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.386 8.641 8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.516 9.453 9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.784 8.193 8.946 1.00 0.00 H new ATOM 381 N PRO A 27 1.873 11.704 3.509 1.00 0.00 N ATOM 382 CA PRO A 27 1.890 10.616 2.535 1.00 0.00 C ATOM 383 C PRO A 27 1.463 9.276 3.155 1.00 0.00 C ATOM 384 O PRO A 27 1.913 8.922 4.248 1.00 0.00 O ATOM 385 CB PRO A 27 3.323 10.556 2.003 1.00 0.00 C ATOM 386 CG PRO A 27 3.862 11.963 2.246 1.00 0.00 C ATOM 387 CD PRO A 27 3.173 12.358 3.552 1.00 0.00 C ATOM 0 HA PRO A 27 1.173 10.800 1.735 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.913 9.805 2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.346 10.296 0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.948 11.971 2.341 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.608 12.641 1.432 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.750 12.031 4.417 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.067 13.440 3.630 1.00 0.00 H new ATOM 395 N VAL A 28 0.616 8.517 2.458 1.00 0.00 N ATOM 396 CA VAL A 28 0.108 7.214 2.905 1.00 0.00 C ATOM 397 C VAL A 28 0.058 6.220 1.744 1.00 0.00 C ATOM 398 O VAL A 28 -0.551 6.466 0.703 1.00 0.00 O ATOM 399 CB VAL A 28 -1.219 7.352 3.678 1.00 0.00 C ATOM 400 CG1 VAL A 28 -2.309 8.105 2.913 1.00 0.00 C ATOM 401 CG2 VAL A 28 -1.765 5.989 4.125 1.00 0.00 C ATOM 0 H VAL A 28 0.254 8.795 1.546 1.00 0.00 H new ATOM 0 HA VAL A 28 0.810 6.795 3.626 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.963 7.950 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.210 8.160 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.963 9.113 2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.531 7.579 1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.701 6.131 4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.943 5.364 3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.039 5.502 4.777 1.00 0.00 H new ATOM 411 N LEU A 29 0.751 5.101 1.928 1.00 0.00 N ATOM 412 CA LEU A 29 0.964 4.024 0.964 1.00 0.00 C ATOM 413 C LEU A 29 0.008 2.873 1.301 1.00 0.00 C ATOM 414 O LEU A 29 -0.029 2.436 2.449 1.00 0.00 O ATOM 415 CB LEU A 29 2.447 3.606 1.086 1.00 0.00 C ATOM 416 CG LEU A 29 3.100 2.926 -0.130 1.00 0.00 C ATOM 417 CD1 LEU A 29 4.447 2.358 0.312 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.298 1.770 -0.731 1.00 0.00 C ATOM 0 H LEU A 29 1.212 4.908 2.817 1.00 0.00 H new ATOM 0 HA LEU A 29 0.760 4.328 -0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.028 4.497 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.536 2.930 1.936 1.00 0.00 H new ATOM 0 HG LEU A 29 3.175 3.694 -0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.931 1.870 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.081 3.167 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.292 1.632 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.839 1.356 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.157 0.995 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.326 2.135 -1.062 1.00 0.00 H new ATOM 430 N VAL A 30 -0.746 2.365 0.329 1.00 0.00 N ATOM 431 CA VAL A 30 -1.641 1.211 0.484 1.00 0.00 C ATOM 432 C VAL A 30 -1.224 0.090 -0.466 1.00 0.00 C ATOM 433 O VAL A 30 -1.127 0.302 -1.673 1.00 0.00 O ATOM 434 CB VAL A 30 -3.122 1.582 0.267 1.00 0.00 C ATOM 435 CG1 VAL A 30 -4.004 0.484 0.880 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.516 2.914 0.919 1.00 0.00 C ATOM 0 H VAL A 30 -0.755 2.752 -0.615 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.549 0.864 1.513 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.266 1.679 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.054 0.736 0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.788 -0.469 0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.797 0.404 1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.570 3.115 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.346 2.857 1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.912 3.718 0.498 1.00 0.00 H new ATOM 446 N ASP A 31 -0.990 -1.107 0.070 1.00 0.00 N ATOM 447 CA ASP A 31 -0.685 -2.318 -0.698 1.00 0.00 C ATOM 448 C ASP A 31 -1.874 -3.294 -0.700 1.00 0.00 C ATOM 449 O ASP A 31 -2.242 -3.852 0.337 1.00 0.00 O ATOM 450 CB ASP A 31 0.606 -2.941 -0.158 1.00 0.00 C ATOM 451 CG ASP A 31 0.866 -4.344 -0.726 1.00 0.00 C ATOM 452 OD1 ASP A 31 0.787 -4.523 -1.962 1.00 0.00 O ATOM 453 OD2 ASP A 31 1.161 -5.254 0.084 1.00 0.00 O ATOM 0 H ASP A 31 -1.007 -1.268 1.077 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.520 -2.061 -1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.448 -2.293 -0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.551 -2.997 0.929 1.00 0.00 H new ATOM 458 N PHE A 32 -2.477 -3.488 -1.874 1.00 0.00 N ATOM 459 CA PHE A 32 -3.553 -4.446 -2.128 1.00 0.00 C ATOM 460 C PHE A 32 -2.917 -5.824 -2.367 1.00 0.00 C ATOM 461 O PHE A 32 -2.183 -6.011 -3.344 1.00 0.00 O ATOM 462 CB PHE A 32 -4.409 -4.011 -3.336 1.00 0.00 C ATOM 463 CG PHE A 32 -5.006 -2.603 -3.389 1.00 0.00 C ATOM 464 CD1 PHE A 32 -4.945 -1.694 -2.308 1.00 0.00 C ATOM 465 CD2 PHE A 32 -5.645 -2.197 -4.578 1.00 0.00 C ATOM 466 CE1 PHE A 32 -5.499 -0.406 -2.423 1.00 0.00 C ATOM 467 CE2 PHE A 32 -6.204 -0.909 -4.688 1.00 0.00 C ATOM 468 CZ PHE A 32 -6.125 -0.011 -3.614 1.00 0.00 C ATOM 0 H PHE A 32 -2.218 -2.960 -2.708 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.222 -4.491 -1.268 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.796 -4.136 -4.228 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.236 -4.716 -3.417 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.469 -1.991 -1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.707 -2.880 -5.412 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.442 0.281 -1.591 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.695 -0.612 -5.603 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.544 0.980 -3.704 1.00 0.00 H new ATOM 478 N TRP A 33 -3.157 -6.774 -1.459 1.00 0.00 N ATOM 479 CA TRP A 33 -2.412 -8.036 -1.381 1.00 0.00 C ATOM 480 C TRP A 33 -3.254 -9.212 -0.857 1.00 0.00 C ATOM 481 O TRP A 33 -4.353 -9.024 -0.333 1.00 0.00 O ATOM 482 CB TRP A 33 -1.183 -7.829 -0.476 1.00 0.00 C ATOM 483 CG TRP A 33 -1.429 -8.059 0.986 1.00 0.00 C ATOM 484 CD1 TRP A 33 -2.264 -7.329 1.755 1.00 0.00 C ATOM 485 CD2 TRP A 33 -0.939 -9.138 1.843 1.00 0.00 C ATOM 486 NE1 TRP A 33 -2.361 -7.901 3.005 1.00 0.00 N ATOM 487 CE2 TRP A 33 -1.550 -9.005 3.126 1.00 0.00 C ATOM 488 CE3 TRP A 33 -0.054 -10.226 1.669 1.00 0.00 C ATOM 489 CZ2 TRP A 33 -1.290 -9.889 4.181 1.00 0.00 C ATOM 490 CZ3 TRP A 33 0.218 -11.122 2.721 1.00 0.00 C ATOM 491 CH2 TRP A 33 -0.390 -10.951 3.979 1.00 0.00 C ATOM 0 H TRP A 33 -3.883 -6.688 -0.748 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.114 -8.302 -2.395 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.390 -8.500 -0.806 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.817 -6.811 -0.612 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -2.778 -6.433 1.439 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -2.962 -7.548 3.750 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.423 -10.373 0.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -1.774 -9.757 5.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 0.898 -11.946 2.561 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -0.166 -11.633 4.786 1.00 0.00 H new ATOM 502 N ALA A 34 -2.701 -10.424 -0.940 1.00 0.00 N ATOM 503 CA ALA A 34 -3.196 -11.606 -0.236 1.00 0.00 C ATOM 504 C ALA A 34 -2.064 -12.602 0.069 1.00 0.00 C ATOM 505 O ALA A 34 -1.055 -12.660 -0.641 1.00 0.00 O ATOM 506 CB ALA A 34 -4.288 -12.275 -1.074 1.00 0.00 C ATOM 0 H ALA A 34 -1.878 -10.614 -1.512 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.611 -11.288 0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.659 -13.157 -0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.108 -11.574 -1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.876 -12.572 -2.039 1.00 0.00 H new ATOM 512 N THR A 35 -2.267 -13.440 1.088 1.00 0.00 N ATOM 513 CA THR A 35 -1.336 -14.508 1.504 1.00 0.00 C ATOM 514 C THR A 35 -1.149 -15.606 0.451 1.00 0.00 C ATOM 515 O THR A 35 -0.132 -16.305 0.472 1.00 0.00 O ATOM 516 CB THR A 35 -1.819 -15.170 2.806 1.00 0.00 C ATOM 517 OG1 THR A 35 -3.182 -15.528 2.691 1.00 0.00 O ATOM 518 CG2 THR A 35 -1.683 -14.237 4.008 1.00 0.00 C ATOM 0 H THR A 35 -3.106 -13.399 1.667 1.00 0.00 H new ATOM 0 HA THR A 35 -0.375 -14.013 1.647 1.00 0.00 H new ATOM 0 HB THR A 35 -1.193 -16.049 2.963 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.481 -15.950 3.523 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.036 -14.746 4.905 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.637 -13.959 4.136 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.279 -13.340 3.842 1.00 0.00 H new ATOM 526 N TRP A 36 -2.093 -15.744 -0.488 1.00 0.00 N ATOM 527 CA TRP A 36 -2.065 -16.725 -1.580 1.00 0.00 C ATOM 528 C TRP A 36 -1.236 -16.304 -2.808 1.00 0.00 C ATOM 529 O TRP A 36 -1.073 -17.105 -3.731 1.00 0.00 O ATOM 530 CB TRP A 36 -3.506 -17.130 -1.947 1.00 0.00 C ATOM 531 CG TRP A 36 -4.531 -16.054 -2.207 1.00 0.00 C ATOM 532 CD1 TRP A 36 -5.581 -15.790 -1.395 1.00 0.00 C ATOM 533 CD2 TRP A 36 -4.687 -15.142 -3.350 1.00 0.00 C ATOM 534 NE1 TRP A 36 -6.393 -14.830 -1.960 1.00 0.00 N ATOM 535 CE2 TRP A 36 -5.889 -14.388 -3.162 1.00 0.00 C ATOM 536 CE3 TRP A 36 -3.948 -14.862 -4.524 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -6.338 -13.428 -4.080 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -4.368 -13.869 -5.434 1.00 0.00 C ATOM 539 CH2 TRP A 36 -5.567 -13.165 -5.223 1.00 0.00 C ATOM 0 H TRP A 36 -2.926 -15.156 -0.509 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.530 -17.598 -1.205 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.454 -17.755 -2.838 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.886 -17.757 -1.140 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.758 -16.264 -0.441 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.258 -14.490 -1.540 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.045 -15.419 -4.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.264 -12.899 -3.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.763 -13.647 -6.301 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.893 -12.424 -5.938 1.00 0.00 H new ATOM 550 N CYS A 37 -0.693 -15.081 -2.841 1.00 0.00 N ATOM 551 CA CYS A 37 0.069 -14.554 -3.979 1.00 0.00 C ATOM 552 C CYS A 37 1.578 -14.478 -3.676 1.00 0.00 C ATOM 553 O CYS A 37 2.012 -13.761 -2.772 1.00 0.00 O ATOM 554 CB CYS A 37 -0.546 -13.205 -4.370 1.00 0.00 C ATOM 555 SG CYS A 37 0.320 -12.504 -5.803 1.00 0.00 S ATOM 0 H CYS A 37 -0.772 -14.421 -2.067 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.001 -15.231 -4.831 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.603 -13.334 -4.604 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.488 -12.514 -3.529 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.330 -11.465 -6.237 1.00 0.00 H new ATOM 561 N GLY A 38 2.396 -15.191 -4.460 1.00 0.00 N ATOM 562 CA GLY A 38 3.858 -15.228 -4.307 1.00 0.00 C ATOM 563 C GLY A 38 4.521 -13.847 -4.426 1.00 0.00 C ATOM 564 O GLY A 38 5.219 -13.440 -3.496 1.00 0.00 O ATOM 0 H GLY A 38 2.057 -15.767 -5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.103 -15.658 -3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.278 -15.891 -5.064 1.00 0.00 H new ATOM 568 N PRO A 39 4.263 -13.067 -5.493 1.00 0.00 N ATOM 569 CA PRO A 39 4.748 -11.689 -5.604 1.00 0.00 C ATOM 570 C PRO A 39 4.297 -10.766 -4.456 1.00 0.00 C ATOM 571 O PRO A 39 5.098 -9.954 -3.993 1.00 0.00 O ATOM 572 CB PRO A 39 4.263 -11.206 -6.972 1.00 0.00 C ATOM 573 CG PRO A 39 4.210 -12.490 -7.797 1.00 0.00 C ATOM 574 CD PRO A 39 3.743 -13.524 -6.775 1.00 0.00 C ATOM 0 HA PRO A 39 5.834 -11.659 -5.519 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.285 -10.729 -6.907 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.946 -10.476 -7.407 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.517 -12.406 -8.634 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.184 -12.744 -8.214 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.655 -13.593 -6.755 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.121 -14.517 -7.020 1.00 0.00 H new ATOM 582 N CYS A 40 3.076 -10.920 -3.922 1.00 0.00 N ATOM 583 CA CYS A 40 2.656 -10.205 -2.705 1.00 0.00 C ATOM 584 C CYS A 40 3.548 -10.558 -1.506 1.00 0.00 C ATOM 585 O CYS A 40 4.033 -9.668 -0.807 1.00 0.00 O ATOM 586 CB CYS A 40 1.197 -10.525 -2.359 1.00 0.00 C ATOM 587 SG CYS A 40 0.064 -9.796 -3.566 1.00 0.00 S ATOM 0 H CYS A 40 2.361 -11.533 -4.313 1.00 0.00 H new ATOM 0 HA CYS A 40 2.755 -9.140 -2.913 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.056 -11.605 -2.330 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.965 -10.146 -1.364 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.064 -10.598 -4.581 1.00 0.00 H new ATOM 593 N LYS A 41 3.812 -11.853 -1.299 1.00 0.00 N ATOM 594 CA LYS A 41 4.677 -12.364 -0.221 1.00 0.00 C ATOM 595 C LYS A 41 6.139 -11.910 -0.385 1.00 0.00 C ATOM 596 O LYS A 41 6.828 -11.715 0.614 1.00 0.00 O ATOM 597 CB LYS A 41 4.540 -13.898 -0.155 1.00 0.00 C ATOM 598 CG LYS A 41 3.099 -14.343 0.182 1.00 0.00 C ATOM 599 CD LYS A 41 2.920 -14.811 1.634 1.00 0.00 C ATOM 600 CE LYS A 41 3.372 -16.260 1.876 1.00 0.00 C ATOM 601 NZ LYS A 41 2.546 -17.242 1.118 1.00 0.00 N ATOM 0 H LYS A 41 3.425 -12.592 -1.885 1.00 0.00 H new ATOM 0 HA LYS A 41 4.350 -11.942 0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.837 -14.329 -1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.224 -14.290 0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.418 -13.514 -0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.812 -15.152 -0.489 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.483 -14.149 2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.870 -14.716 1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.417 -16.366 1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.313 -16.484 2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.436 -18.110 1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.609 -16.833 0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.015 -17.469 0.218 1.00 0.00 H new ATOM 615 N MET A 42 6.598 -11.684 -1.623 1.00 0.00 N ATOM 616 CA MET A 42 7.921 -11.123 -1.944 1.00 0.00 C ATOM 617 C MET A 42 8.040 -9.604 -1.716 1.00 0.00 C ATOM 618 O MET A 42 9.089 -9.155 -1.252 1.00 0.00 O ATOM 619 CB MET A 42 8.311 -11.475 -3.390 1.00 0.00 C ATOM 620 CG MET A 42 8.603 -12.968 -3.590 1.00 0.00 C ATOM 621 SD MET A 42 9.997 -13.651 -2.639 1.00 0.00 S ATOM 622 CE MET A 42 11.394 -12.781 -3.404 1.00 0.00 C ATOM 0 H MET A 42 6.045 -11.892 -2.454 1.00 0.00 H new ATOM 0 HA MET A 42 8.616 -11.583 -1.242 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.505 -11.176 -4.060 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.191 -10.898 -3.673 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.705 -13.530 -3.332 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.794 -13.140 -4.649 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.329 -13.171 -3.002 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.371 -12.934 -4.483 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.322 -11.715 -3.187 1.00 0.00 H new ATOM 632 N VAL A 43 7.004 -8.800 -2.003 1.00 0.00 N ATOM 633 CA VAL A 43 7.034 -7.333 -1.769 1.00 0.00 C ATOM 634 C VAL A 43 6.660 -6.932 -0.332 1.00 0.00 C ATOM 635 O VAL A 43 7.102 -5.888 0.148 1.00 0.00 O ATOM 636 CB VAL A 43 6.221 -6.578 -2.842 1.00 0.00 C ATOM 637 CG1 VAL A 43 4.706 -6.728 -2.686 1.00 0.00 C ATOM 638 CG2 VAL A 43 6.561 -5.084 -2.894 1.00 0.00 C ATOM 0 H VAL A 43 6.127 -9.136 -2.400 1.00 0.00 H new ATOM 0 HA VAL A 43 8.073 -7.021 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 43 6.517 -7.053 -3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.202 -6.170 -3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.436 -7.782 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.400 -6.339 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.961 -4.601 -3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.345 -4.628 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.619 -4.959 -3.126 1.00 0.00 H new ATOM 648 N ALA A 44 5.924 -7.779 0.398 1.00 0.00 N ATOM 649 CA ALA A 44 5.574 -7.574 1.808 1.00 0.00 C ATOM 650 C ALA A 44 6.763 -7.224 2.735 1.00 0.00 C ATOM 651 O ALA A 44 6.642 -6.228 3.449 1.00 0.00 O ATOM 652 CB ALA A 44 4.794 -8.799 2.308 1.00 0.00 C ATOM 0 H ALA A 44 5.547 -8.646 0.015 1.00 0.00 H new ATOM 0 HA ALA A 44 4.949 -6.682 1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.528 -8.658 3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.887 -8.919 1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.413 -9.690 2.207 1.00 0.00 H new ATOM 658 N PRO A 45 7.917 -7.928 2.737 1.00 0.00 N ATOM 659 CA PRO A 45 9.064 -7.545 3.570 1.00 0.00 C ATOM 660 C PRO A 45 9.697 -6.204 3.158 1.00 0.00 C ATOM 661 O PRO A 45 10.187 -5.474 4.019 1.00 0.00 O ATOM 662 CB PRO A 45 10.061 -8.704 3.465 1.00 0.00 C ATOM 663 CG PRO A 45 9.719 -9.353 2.126 1.00 0.00 C ATOM 664 CD PRO A 45 8.204 -9.185 2.061 1.00 0.00 C ATOM 0 HA PRO A 45 8.744 -7.379 4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 45 11.091 -8.349 3.487 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.948 -9.406 4.291 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.219 -8.857 1.294 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.014 -10.402 2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.857 -9.162 1.028 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.697 -10.017 2.550 1.00 0.00 H new ATOM 672 N VAL A 46 9.643 -5.832 1.869 1.00 0.00 N ATOM 673 CA VAL A 46 10.135 -4.528 1.381 1.00 0.00 C ATOM 674 C VAL A 46 9.255 -3.401 1.932 1.00 0.00 C ATOM 675 O VAL A 46 9.755 -2.451 2.535 1.00 0.00 O ATOM 676 CB VAL A 46 10.197 -4.464 -0.166 1.00 0.00 C ATOM 677 CG1 VAL A 46 10.938 -3.213 -0.602 1.00 0.00 C ATOM 678 CG2 VAL A 46 10.918 -5.676 -0.770 1.00 0.00 C ATOM 0 H VAL A 46 9.258 -6.425 1.134 1.00 0.00 H new ATOM 0 HA VAL A 46 11.155 -4.403 1.744 1.00 0.00 H new ATOM 0 HB VAL A 46 9.167 -4.456 -0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.978 -3.175 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.417 -2.332 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.952 -3.233 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.935 -5.585 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.940 -5.717 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.392 -6.589 -0.491 1.00 0.00 H new ATOM 688 N LEU A 47 7.934 -3.547 1.794 1.00 0.00 N ATOM 689 CA LEU A 47 6.938 -2.636 2.363 1.00 0.00 C ATOM 690 C LEU A 47 7.007 -2.570 3.896 1.00 0.00 C ATOM 691 O LEU A 47 6.834 -1.495 4.457 1.00 0.00 O ATOM 692 CB LEU A 47 5.545 -3.115 1.933 1.00 0.00 C ATOM 693 CG LEU A 47 5.158 -2.714 0.504 1.00 0.00 C ATOM 694 CD1 LEU A 47 4.007 -3.599 0.049 1.00 0.00 C ATOM 695 CD2 LEU A 47 4.710 -1.251 0.451 1.00 0.00 C ATOM 0 H LEU A 47 7.519 -4.319 1.272 1.00 0.00 H new ATOM 0 HA LEU A 47 7.144 -1.632 1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.504 -4.201 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.805 -2.713 2.625 1.00 0.00 H new ATOM 0 HG LEU A 47 6.024 -2.836 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.719 -3.327 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.320 -4.643 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.157 -3.462 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.441 -0.990 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.846 -1.111 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.524 -0.609 0.787 1.00 0.00 H new ATOM 707 N GLU A 48 7.273 -3.683 4.581 1.00 0.00 N ATOM 708 CA GLU A 48 7.365 -3.743 6.046 1.00 0.00 C ATOM 709 C GLU A 48 8.617 -3.028 6.584 1.00 0.00 C ATOM 710 O GLU A 48 8.529 -2.282 7.563 1.00 0.00 O ATOM 711 CB GLU A 48 7.308 -5.213 6.490 1.00 0.00 C ATOM 712 CG GLU A 48 7.206 -5.344 8.011 1.00 0.00 C ATOM 713 CD GLU A 48 7.026 -6.805 8.467 1.00 0.00 C ATOM 714 OE1 GLU A 48 7.828 -7.685 8.070 1.00 0.00 O ATOM 715 OE2 GLU A 48 6.094 -7.072 9.265 1.00 0.00 O ATOM 0 H GLU A 48 7.434 -4.583 4.130 1.00 0.00 H new ATOM 0 HA GLU A 48 6.517 -3.207 6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.451 -5.700 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.199 -5.733 6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.105 -4.932 8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.365 -4.749 8.368 1.00 0.00 H new ATOM 722 N GLU A 49 9.768 -3.174 5.917 1.00 0.00 N ATOM 723 CA GLU A 49 10.948 -2.348 6.196 1.00 0.00 C ATOM 724 C GLU A 49 10.651 -0.865 5.958 1.00 0.00 C ATOM 725 O GLU A 49 10.930 -0.039 6.822 1.00 0.00 O ATOM 726 CB GLU A 49 12.140 -2.771 5.325 1.00 0.00 C ATOM 727 CG GLU A 49 12.841 -4.018 5.868 1.00 0.00 C ATOM 728 CD GLU A 49 14.078 -4.385 5.020 1.00 0.00 C ATOM 729 OE1 GLU A 49 14.924 -3.494 4.761 1.00 0.00 O ATOM 730 OE2 GLU A 49 14.226 -5.569 4.630 1.00 0.00 O ATOM 0 H GLU A 49 9.907 -3.861 5.176 1.00 0.00 H new ATOM 0 HA GLU A 49 11.203 -2.498 7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.795 -2.964 4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.855 -1.950 5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.144 -3.846 6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.143 -4.855 5.876 1.00 0.00 H new ATOM 737 N ILE A 50 10.031 -0.515 4.828 1.00 0.00 N ATOM 738 CA ILE A 50 9.684 0.876 4.500 1.00 0.00 C ATOM 739 C ILE A 50 8.672 1.453 5.509 1.00 0.00 C ATOM 740 O ILE A 50 8.816 2.599 5.929 1.00 0.00 O ATOM 741 CB ILE A 50 9.227 0.935 3.024 1.00 0.00 C ATOM 742 CG1 ILE A 50 10.474 0.711 2.131 1.00 0.00 C ATOM 743 CG2 ILE A 50 8.526 2.253 2.651 1.00 0.00 C ATOM 744 CD1 ILE A 50 10.162 0.518 0.645 1.00 0.00 C ATOM 0 H ILE A 50 9.754 -1.187 4.112 1.00 0.00 H new ATOM 0 HA ILE A 50 10.555 1.525 4.593 1.00 0.00 H new ATOM 0 HB ILE A 50 8.482 0.156 2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.143 1.565 2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 50 11.013 -0.165 2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.233 2.225 1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.640 2.382 3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.208 3.087 2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.091 0.368 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 50 9.520 -0.354 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.652 1.402 0.262 1.00 0.00 H new ATOM 756 N ALA A 51 7.717 0.658 5.995 1.00 0.00 N ATOM 757 CA ALA A 51 6.807 1.042 7.072 1.00 0.00 C ATOM 758 C ALA A 51 7.555 1.357 8.376 1.00 0.00 C ATOM 759 O ALA A 51 7.320 2.390 9.004 1.00 0.00 O ATOM 760 CB ALA A 51 5.810 -0.102 7.299 1.00 0.00 C ATOM 0 H ALA A 51 7.553 -0.286 5.645 1.00 0.00 H new ATOM 0 HA ALA A 51 6.286 1.953 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.123 0.168 8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.247 -0.281 6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.351 -1.007 7.575 1.00 0.00 H new ATOM 766 N THR A 52 8.466 0.466 8.775 1.00 0.00 N ATOM 767 CA THR A 52 9.164 0.521 10.068 1.00 0.00 C ATOM 768 C THR A 52 10.276 1.580 10.088 1.00 0.00 C ATOM 769 O THR A 52 10.514 2.213 11.116 1.00 0.00 O ATOM 770 CB THR A 52 9.676 -0.885 10.428 1.00 0.00 C ATOM 771 OG1 THR A 52 8.591 -1.793 10.370 1.00 0.00 O ATOM 772 CG2 THR A 52 10.230 -0.982 11.847 1.00 0.00 C ATOM 0 H THR A 52 8.746 -0.329 8.201 1.00 0.00 H new ATOM 0 HA THR A 52 8.458 0.838 10.835 1.00 0.00 H new ATOM 0 HB THR A 52 10.473 -1.111 9.719 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.439 -2.062 9.440 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.573 -1.999 12.035 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.065 -0.291 11.960 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.448 -0.725 12.561 1.00 0.00 H new ATOM 780 N GLU A 53 10.935 1.814 8.950 1.00 0.00 N ATOM 781 CA GLU A 53 12.082 2.720 8.804 1.00 0.00 C ATOM 782 C GLU A 53 11.745 4.110 8.238 1.00 0.00 C ATOM 783 O GLU A 53 12.560 5.027 8.376 1.00 0.00 O ATOM 784 CB GLU A 53 13.166 2.045 7.953 1.00 0.00 C ATOM 785 CG GLU A 53 13.671 0.739 8.587 1.00 0.00 C ATOM 786 CD GLU A 53 14.968 0.265 7.910 1.00 0.00 C ATOM 787 OE1 GLU A 53 14.984 0.139 6.663 1.00 0.00 O ATOM 788 OE2 GLU A 53 15.975 0.018 8.618 1.00 0.00 O ATOM 0 H GLU A 53 10.677 1.363 8.073 1.00 0.00 H new ATOM 0 HA GLU A 53 12.443 2.908 9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.768 1.835 6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.003 2.731 7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.847 0.891 9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.906 -0.033 8.497 1.00 0.00 H new ATOM 795 N ARG A 54 10.584 4.288 7.589 1.00 0.00 N ATOM 796 CA ARG A 54 10.112 5.574 7.028 1.00 0.00 C ATOM 797 C ARG A 54 8.755 6.023 7.575 1.00 0.00 C ATOM 798 O ARG A 54 8.064 6.801 6.923 1.00 0.00 O ATOM 799 CB ARG A 54 10.169 5.579 5.481 1.00 0.00 C ATOM 800 CG ARG A 54 11.563 5.337 4.886 1.00 0.00 C ATOM 801 CD ARG A 54 12.548 6.437 5.300 1.00 0.00 C ATOM 802 NE ARG A 54 13.903 6.176 4.793 1.00 0.00 N ATOM 803 CZ ARG A 54 14.947 5.712 5.452 1.00 0.00 C ATOM 804 NH1 ARG A 54 14.873 5.281 6.679 1.00 0.00 N ATOM 805 NH2 ARG A 54 16.111 5.684 4.869 1.00 0.00 N ATOM 0 H ARG A 54 9.926 3.524 7.433 1.00 0.00 H new ATOM 0 HA ARG A 54 10.815 6.331 7.376 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.491 4.813 5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.798 6.539 5.121 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.938 4.368 5.216 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.494 5.299 3.799 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.198 7.398 4.924 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.575 6.511 6.387 1.00 0.00 H new ATOM 0 HE ARG A 54 14.055 6.380 3.805 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.980 5.294 7.171 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.708 4.931 7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.210 6.019 3.911 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.924 5.327 5.371 1.00 0.00 H new ATOM 819 N ALA A 55 8.405 5.635 8.803 1.00 0.00 N ATOM 820 CA ALA A 55 7.254 6.181 9.539 1.00 0.00 C ATOM 821 C ALA A 55 7.266 7.730 9.632 1.00 0.00 C ATOM 822 O ALA A 55 6.215 8.372 9.704 1.00 0.00 O ATOM 823 CB ALA A 55 7.240 5.545 10.935 1.00 0.00 C ATOM 0 H ALA A 55 8.917 4.924 9.324 1.00 0.00 H new ATOM 0 HA ALA A 55 6.344 5.933 8.992 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.395 5.933 11.503 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.148 4.463 10.841 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.168 5.786 11.454 1.00 0.00 H new ATOM 829 N THR A 56 8.461 8.331 9.593 1.00 0.00 N ATOM 830 CA THR A 56 8.725 9.780 9.521 1.00 0.00 C ATOM 831 C THR A 56 8.277 10.447 8.213 1.00 0.00 C ATOM 832 O THR A 56 7.989 11.644 8.206 1.00 0.00 O ATOM 833 CB THR A 56 10.240 10.024 9.673 1.00 0.00 C ATOM 834 OG1 THR A 56 10.985 9.107 8.889 1.00 0.00 O ATOM 835 CG2 THR A 56 10.686 9.825 11.123 1.00 0.00 C ATOM 0 H THR A 56 9.325 7.789 9.612 1.00 0.00 H new ATOM 0 HA THR A 56 8.141 10.225 10.326 1.00 0.00 H new ATOM 0 HB THR A 56 10.421 11.049 9.348 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.142 9.489 8.000 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.758 10.003 11.202 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.154 10.525 11.767 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.464 8.804 11.435 1.00 0.00 H new ATOM 843 N ASP A 57 8.224 9.698 7.107 1.00 0.00 N ATOM 844 CA ASP A 57 7.997 10.206 5.744 1.00 0.00 C ATOM 845 C ASP A 57 6.722 9.640 5.085 1.00 0.00 C ATOM 846 O ASP A 57 6.156 10.261 4.187 1.00 0.00 O ATOM 847 CB ASP A 57 9.230 9.876 4.890 1.00 0.00 C ATOM 848 CG ASP A 57 10.520 10.515 5.433 1.00 0.00 C ATOM 849 OD1 ASP A 57 10.843 11.654 5.024 1.00 0.00 O ATOM 850 OD2 ASP A 57 11.221 9.870 6.252 1.00 0.00 O ATOM 0 H ASP A 57 8.342 8.685 7.134 1.00 0.00 H new ATOM 0 HA ASP A 57 7.845 11.283 5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.357 8.794 4.846 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.062 10.219 3.869 1.00 0.00 H new ATOM 855 N LEU A 58 6.265 8.470 5.543 1.00 0.00 N ATOM 856 CA LEU A 58 5.129 7.689 5.050 1.00 0.00 C ATOM 857 C LEU A 58 4.302 7.148 6.230 1.00 0.00 C ATOM 858 O LEU A 58 4.819 6.941 7.327 1.00 0.00 O ATOM 859 CB LEU A 58 5.640 6.476 4.241 1.00 0.00 C ATOM 860 CG LEU A 58 6.511 6.752 3.005 1.00 0.00 C ATOM 861 CD1 LEU A 58 7.040 5.423 2.466 1.00 0.00 C ATOM 862 CD2 LEU A 58 5.726 7.432 1.886 1.00 0.00 C ATOM 0 H LEU A 58 6.718 8.009 6.332 1.00 0.00 H new ATOM 0 HA LEU A 58 4.516 8.339 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.211 5.839 4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.773 5.900 3.917 1.00 0.00 H new ATOM 0 HG LEU A 58 7.319 7.415 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.660 5.607 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.636 4.930 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.202 4.783 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.384 7.607 1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.899 6.791 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.334 8.384 2.243 1.00 0.00 H new ATOM 874 N THR A 59 3.032 6.839 5.989 1.00 0.00 N ATOM 875 CA THR A 59 2.305 5.764 6.691 1.00 0.00 C ATOM 876 C THR A 59 2.095 4.621 5.698 1.00 0.00 C ATOM 877 O THR A 59 1.803 4.886 4.534 1.00 0.00 O ATOM 878 CB THR A 59 0.974 6.268 7.273 1.00 0.00 C ATOM 879 OG1 THR A 59 1.248 7.207 8.291 1.00 0.00 O ATOM 880 CG2 THR A 59 0.136 5.166 7.925 1.00 0.00 C ATOM 0 H THR A 59 2.465 7.327 5.296 1.00 0.00 H new ATOM 0 HA THR A 59 2.887 5.412 7.543 1.00 0.00 H new ATOM 0 HB THR A 59 0.416 6.685 6.435 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.513 6.736 9.108 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.788 5.594 8.314 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.101 4.402 7.184 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.699 4.716 8.742 1.00 0.00 H new ATOM 888 N VAL A 60 2.259 3.359 6.106 1.00 0.00 N ATOM 889 CA VAL A 60 2.151 2.199 5.198 1.00 0.00 C ATOM 890 C VAL A 60 1.065 1.236 5.679 1.00 0.00 C ATOM 891 O VAL A 60 1.091 0.754 6.815 1.00 0.00 O ATOM 892 CB VAL A 60 3.503 1.492 5.017 1.00 0.00 C ATOM 893 CG1 VAL A 60 3.408 0.316 4.034 1.00 0.00 C ATOM 894 CG2 VAL A 60 4.586 2.448 4.494 1.00 0.00 C ATOM 0 H VAL A 60 2.470 3.107 7.071 1.00 0.00 H new ATOM 0 HA VAL A 60 1.857 2.568 4.215 1.00 0.00 H new ATOM 0 HB VAL A 60 3.775 1.128 6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.386 -0.156 3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.689 -0.413 4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.081 0.681 3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.525 1.907 4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.280 2.851 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.722 3.266 5.201 1.00 0.00 H new ATOM 904 N ALA A 61 0.112 0.955 4.794 1.00 0.00 N ATOM 905 CA ALA A 61 -1.110 0.211 5.048 1.00 0.00 C ATOM 906 C ALA A 61 -1.273 -1.000 4.109 1.00 0.00 C ATOM 907 O ALA A 61 -0.782 -1.017 2.977 1.00 0.00 O ATOM 908 CB ALA A 61 -2.293 1.179 4.930 1.00 0.00 C ATOM 0 H ALA A 61 0.180 1.261 3.823 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.067 -0.207 6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.223 0.642 5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.183 1.979 5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.316 1.605 3.927 1.00 0.00 H new ATOM 914 N LYS A 62 -2.010 -2.003 4.585 1.00 0.00 N ATOM 915 CA LYS A 62 -2.311 -3.269 3.909 1.00 0.00 C ATOM 916 C LYS A 62 -3.817 -3.374 3.657 1.00 0.00 C ATOM 917 O LYS A 62 -4.611 -3.139 4.570 1.00 0.00 O ATOM 918 CB LYS A 62 -1.818 -4.437 4.789 1.00 0.00 C ATOM 919 CG LYS A 62 -0.312 -4.418 5.127 1.00 0.00 C ATOM 920 CD LYS A 62 0.627 -4.724 3.949 1.00 0.00 C ATOM 921 CE LYS A 62 0.497 -6.194 3.530 1.00 0.00 C ATOM 922 NZ LYS A 62 1.457 -6.565 2.463 1.00 0.00 N ATOM 0 H LYS A 62 -2.440 -1.952 5.509 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.801 -3.311 2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.383 -4.432 5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.048 -5.374 4.282 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.058 -3.437 5.528 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.124 -5.144 5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.386 -4.076 3.106 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.658 -4.510 4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.659 -6.832 4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.519 -6.381 3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.525 -7.601 2.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.128 -6.186 1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.393 -6.169 2.685 1.00 0.00 H new ATOM 936 N LEU A 63 -4.206 -3.746 2.441 1.00 0.00 N ATOM 937 CA LEU A 63 -5.580 -4.094 2.070 1.00 0.00 C ATOM 938 C LEU A 63 -5.598 -5.552 1.628 1.00 0.00 C ATOM 939 O LEU A 63 -5.064 -5.920 0.583 1.00 0.00 O ATOM 940 CB LEU A 63 -6.071 -3.108 0.997 1.00 0.00 C ATOM 941 CG LEU A 63 -7.500 -3.266 0.434 1.00 0.00 C ATOM 942 CD1 LEU A 63 -7.676 -4.433 -0.536 1.00 0.00 C ATOM 943 CD2 LEU A 63 -8.567 -3.340 1.521 1.00 0.00 C ATOM 0 H LEU A 63 -3.555 -3.817 1.659 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.272 -4.005 2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.990 -2.103 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.378 -3.163 0.157 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.643 -2.349 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.710 -4.467 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.013 -4.299 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.431 -5.367 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.549 -3.451 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.370 -4.196 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.546 -2.426 2.115 1.00 0.00 H new ATOM 955 N ASP A 64 -6.213 -6.380 2.459 1.00 0.00 N ATOM 956 CA ASP A 64 -6.278 -7.822 2.277 1.00 0.00 C ATOM 957 C ASP A 64 -7.423 -8.142 1.303 1.00 0.00 C ATOM 958 O ASP A 64 -8.584 -8.172 1.712 1.00 0.00 O ATOM 959 CB ASP A 64 -6.530 -8.485 3.641 1.00 0.00 C ATOM 960 CG ASP A 64 -5.412 -8.385 4.693 1.00 0.00 C ATOM 961 OD1 ASP A 64 -4.554 -7.475 4.638 1.00 0.00 O ATOM 962 OD2 ASP A 64 -5.468 -9.185 5.658 1.00 0.00 O ATOM 0 H ASP A 64 -6.693 -6.059 3.300 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.342 -8.203 1.867 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.433 -8.048 4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.738 -9.541 3.469 1.00 0.00 H new ATOM 967 N VAL A 65 -7.142 -8.403 0.022 1.00 0.00 N ATOM 968 CA VAL A 65 -8.206 -8.715 -0.961 1.00 0.00 C ATOM 969 C VAL A 65 -8.911 -10.047 -0.670 1.00 0.00 C ATOM 970 O VAL A 65 -10.010 -10.293 -1.161 1.00 0.00 O ATOM 971 CB VAL A 65 -7.738 -8.642 -2.427 1.00 0.00 C ATOM 972 CG1 VAL A 65 -7.121 -7.277 -2.752 1.00 0.00 C ATOM 973 CG2 VAL A 65 -6.758 -9.740 -2.835 1.00 0.00 C ATOM 0 H VAL A 65 -6.198 -8.407 -0.364 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.940 -7.919 -0.832 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.648 -8.795 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.802 -7.261 -3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.862 -6.494 -2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.260 -7.104 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.482 -9.611 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.864 -9.679 -2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.227 -10.715 -2.701 1.00 0.00 H new ATOM 983 N ASP A 66 -8.305 -10.894 0.167 1.00 0.00 N ATOM 984 CA ASP A 66 -8.906 -12.122 0.689 1.00 0.00 C ATOM 985 C ASP A 66 -10.038 -11.862 1.710 1.00 0.00 C ATOM 986 O ASP A 66 -10.900 -12.728 1.887 1.00 0.00 O ATOM 987 CB ASP A 66 -7.790 -12.980 1.299 1.00 0.00 C ATOM 988 CG ASP A 66 -8.269 -14.406 1.618 1.00 0.00 C ATOM 989 OD1 ASP A 66 -8.559 -15.166 0.663 1.00 0.00 O ATOM 990 OD2 ASP A 66 -8.326 -14.778 2.815 1.00 0.00 O ATOM 0 H ASP A 66 -7.357 -10.739 0.509 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.384 -12.649 -0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.949 -13.026 0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.427 -12.507 2.211 1.00 0.00 H new ATOM 995 N THR A 67 -10.080 -10.682 2.353 1.00 0.00 N ATOM 996 CA THR A 67 -11.149 -10.295 3.302 1.00 0.00 C ATOM 997 C THR A 67 -11.950 -9.056 2.882 1.00 0.00 C ATOM 998 O THR A 67 -13.143 -8.983 3.186 1.00 0.00 O ATOM 999 CB THR A 67 -10.629 -10.119 4.743 1.00 0.00 C ATOM 1000 OG1 THR A 67 -9.704 -9.054 4.866 1.00 0.00 O ATOM 1001 CG2 THR A 67 -9.926 -11.367 5.271 1.00 0.00 C ATOM 0 H THR A 67 -9.369 -9.961 2.230 1.00 0.00 H new ATOM 0 HA THR A 67 -11.836 -11.141 3.277 1.00 0.00 H new ATOM 0 HB THR A 67 -11.528 -9.911 5.324 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.160 -8.265 5.226 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.580 -11.187 6.289 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.622 -12.206 5.267 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.073 -11.601 4.634 1.00 0.00 H new ATOM 1009 N ASN A 68 -11.350 -8.093 2.168 1.00 0.00 N ATOM 1010 CA ASN A 68 -12.031 -6.915 1.633 1.00 0.00 C ATOM 1011 C ASN A 68 -11.519 -6.566 0.215 1.00 0.00 C ATOM 1012 O ASN A 68 -10.716 -5.646 0.055 1.00 0.00 O ATOM 1013 CB ASN A 68 -11.876 -5.768 2.651 1.00 0.00 C ATOM 1014 CG ASN A 68 -12.769 -4.590 2.312 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -12.329 -3.549 1.859 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -14.058 -4.711 2.529 1.00 0.00 N ATOM 0 H ASN A 68 -10.355 -8.116 1.944 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.096 -7.110 1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.119 -6.133 3.649 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.836 -5.441 2.675 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.686 -3.935 2.318 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.432 -5.581 2.908 1.00 0.00 H new ATOM 1023 N PRO A 69 -11.981 -7.264 -0.843 1.00 0.00 N ATOM 1024 CA PRO A 69 -11.641 -6.932 -2.232 1.00 0.00 C ATOM 1025 C PRO A 69 -12.303 -5.631 -2.726 1.00 0.00 C ATOM 1026 O PRO A 69 -11.986 -5.152 -3.814 1.00 0.00 O ATOM 1027 CB PRO A 69 -12.094 -8.146 -3.051 1.00 0.00 C ATOM 1028 CG PRO A 69 -13.277 -8.687 -2.251 1.00 0.00 C ATOM 1029 CD PRO A 69 -12.882 -8.411 -0.801 1.00 0.00 C ATOM 0 HA PRO A 69 -10.573 -6.738 -2.334 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -12.388 -7.863 -4.062 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.300 -8.887 -3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.206 -8.183 -2.517 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -13.430 -9.751 -2.430 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.760 -8.196 -0.191 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.391 -9.278 -0.358 1.00 0.00 H new ATOM 1037 N GLU A 70 -13.209 -5.040 -1.939 1.00 0.00 N ATOM 1038 CA GLU A 70 -13.997 -3.854 -2.295 1.00 0.00 C ATOM 1039 C GLU A 70 -13.122 -2.651 -2.681 1.00 0.00 C ATOM 1040 O GLU A 70 -13.380 -2.014 -3.702 1.00 0.00 O ATOM 1041 CB GLU A 70 -14.920 -3.475 -1.119 1.00 0.00 C ATOM 1042 CG GLU A 70 -15.833 -4.606 -0.616 1.00 0.00 C ATOM 1043 CD GLU A 70 -16.705 -5.188 -1.738 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -17.691 -4.540 -2.159 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -16.378 -6.274 -2.265 1.00 0.00 O ATOM 0 H GLU A 70 -13.421 -5.386 -1.003 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.589 -4.111 -3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.303 -3.131 -0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.543 -2.634 -1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.222 -5.399 -0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -16.473 -4.227 0.180 1.00 0.00 H new ATOM 1052 N THR A 71 -12.045 -2.378 -1.934 1.00 0.00 N ATOM 1053 CA THR A 71 -11.088 -1.300 -2.247 1.00 0.00 C ATOM 1054 C THR A 71 -10.354 -1.556 -3.568 1.00 0.00 C ATOM 1055 O THR A 71 -10.257 -0.665 -4.411 1.00 0.00 O ATOM 1056 CB THR A 71 -10.072 -1.134 -1.115 1.00 0.00 C ATOM 1057 OG1 THR A 71 -10.735 -0.937 0.112 1.00 0.00 O ATOM 1058 CG2 THR A 71 -9.136 0.059 -1.302 1.00 0.00 C ATOM 0 H THR A 71 -11.808 -2.900 -1.090 1.00 0.00 H new ATOM 0 HA THR A 71 -11.664 -0.380 -2.352 1.00 0.00 H new ATOM 0 HB THR A 71 -9.483 -2.051 -1.125 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.074 -0.834 0.828 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.444 0.114 -0.462 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.574 -0.061 -2.228 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.722 0.977 -1.350 1.00 0.00 H new ATOM 1066 N ALA A 72 -9.888 -2.788 -3.796 1.00 0.00 N ATOM 1067 CA ALA A 72 -9.195 -3.170 -5.029 1.00 0.00 C ATOM 1068 C ALA A 72 -10.110 -3.093 -6.262 1.00 0.00 C ATOM 1069 O ALA A 72 -9.669 -2.662 -7.330 1.00 0.00 O ATOM 1070 CB ALA A 72 -8.577 -4.556 -4.821 1.00 0.00 C ATOM 0 H ALA A 72 -9.982 -3.552 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.398 -2.457 -5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.055 -4.861 -5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.871 -4.519 -3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.364 -5.275 -4.596 1.00 0.00 H new ATOM 1076 N ARG A 73 -11.399 -3.433 -6.108 1.00 0.00 N ATOM 1077 CA ARG A 73 -12.402 -3.320 -7.176 1.00 0.00 C ATOM 1078 C ARG A 73 -12.856 -1.874 -7.418 1.00 0.00 C ATOM 1079 O ARG A 73 -13.057 -1.497 -8.571 1.00 0.00 O ATOM 1080 CB ARG A 73 -13.577 -4.265 -6.869 1.00 0.00 C ATOM 1081 CG ARG A 73 -14.475 -4.481 -8.100 1.00 0.00 C ATOM 1082 CD ARG A 73 -15.626 -5.463 -7.836 1.00 0.00 C ATOM 1083 NE ARG A 73 -16.634 -4.894 -6.916 1.00 0.00 N ATOM 1084 CZ ARG A 73 -16.783 -5.144 -5.626 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -16.039 -5.997 -4.987 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -17.691 -4.515 -4.941 1.00 0.00 N ATOM 0 H ARG A 73 -11.776 -3.796 -5.233 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.942 -3.627 -8.115 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.191 -5.226 -6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.171 -3.853 -6.054 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.887 -3.522 -8.415 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.868 -4.854 -8.925 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.103 -5.726 -8.780 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.227 -6.385 -7.413 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.292 -4.230 -7.325 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.305 -6.504 -5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.189 -6.159 -3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.290 -3.828 -5.398 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.805 -4.709 -3.946 1.00 0.00 H new ATOM 1100 N ASN A 74 -12.931 -1.040 -6.377 1.00 0.00 N ATOM 1101 CA ASN A 74 -13.264 0.390 -6.480 1.00 0.00 C ATOM 1102 C ASN A 74 -12.285 1.164 -7.389 1.00 0.00 C ATOM 1103 O ASN A 74 -12.707 2.028 -8.157 1.00 0.00 O ATOM 1104 CB ASN A 74 -13.302 0.986 -5.060 1.00 0.00 C ATOM 1105 CG ASN A 74 -13.580 2.480 -5.062 1.00 0.00 C ATOM 1106 OD1 ASN A 74 -14.713 2.923 -5.189 1.00 0.00 O ATOM 1107 ND2 ASN A 74 -12.564 3.309 -4.946 1.00 0.00 N ATOM 0 H ASN A 74 -12.759 -1.343 -5.418 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.242 0.488 -6.952 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.070 0.478 -4.477 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.349 0.798 -4.565 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.723 4.316 -4.962 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.617 2.944 -4.840 1.00 0.00 H new ATOM 1114 N PHE A 75 -10.994 0.815 -7.339 1.00 0.00 N ATOM 1115 CA PHE A 75 -9.946 1.364 -8.214 1.00 0.00 C ATOM 1116 C PHE A 75 -9.638 0.471 -9.436 1.00 0.00 C ATOM 1117 O PHE A 75 -8.695 0.746 -10.178 1.00 0.00 O ATOM 1118 CB PHE A 75 -8.704 1.681 -7.363 1.00 0.00 C ATOM 1119 CG PHE A 75 -8.947 2.706 -6.268 1.00 0.00 C ATOM 1120 CD1 PHE A 75 -9.184 4.053 -6.601 1.00 0.00 C ATOM 1121 CD2 PHE A 75 -8.942 2.318 -4.914 1.00 0.00 C ATOM 1122 CE1 PHE A 75 -9.421 5.002 -5.590 1.00 0.00 C ATOM 1123 CE2 PHE A 75 -9.186 3.265 -3.903 1.00 0.00 C ATOM 1124 CZ PHE A 75 -9.424 4.608 -4.241 1.00 0.00 C ATOM 0 H PHE A 75 -10.639 0.127 -6.675 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.312 2.290 -8.657 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.343 0.758 -6.908 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.912 2.045 -8.017 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.184 4.359 -7.637 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.750 1.288 -4.651 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.601 6.034 -5.851 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.190 2.960 -2.867 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.609 5.336 -3.465 1.00 0.00 H new ATOM 1134 N GLN A 76 -10.413 -0.603 -9.643 1.00 0.00 N ATOM 1135 CA GLN A 76 -10.307 -1.643 -10.686 1.00 0.00 C ATOM 1136 C GLN A 76 -8.993 -2.465 -10.723 1.00 0.00 C ATOM 1137 O GLN A 76 -8.945 -3.528 -11.344 1.00 0.00 O ATOM 1138 CB GLN A 76 -10.699 -1.025 -12.044 1.00 0.00 C ATOM 1139 CG GLN A 76 -10.997 -2.054 -13.145 1.00 0.00 C ATOM 1140 CD GLN A 76 -11.598 -1.399 -14.387 1.00 0.00 C ATOM 1141 OE1 GLN A 76 -12.801 -1.421 -14.619 1.00 0.00 O ATOM 1142 NE2 GLN A 76 -10.796 -0.779 -15.231 1.00 0.00 N ATOM 0 H GLN A 76 -11.206 -0.786 -9.028 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.017 -2.425 -10.417 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.578 -0.396 -11.903 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.892 -0.374 -12.380 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.077 -2.572 -13.417 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.686 -2.807 -12.762 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.792 -0.751 -15.053 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.180 -0.328 -16.061 1.00 0.00 H new ATOM 1151 N VAL A 77 -7.940 -2.032 -10.030 1.00 0.00 N ATOM 1152 CA VAL A 77 -6.594 -2.639 -9.987 1.00 0.00 C ATOM 1153 C VAL A 77 -6.502 -3.871 -9.066 1.00 0.00 C ATOM 1154 O VAL A 77 -5.669 -3.953 -8.161 1.00 0.00 O ATOM 1155 CB VAL A 77 -5.521 -1.572 -9.689 1.00 0.00 C ATOM 1156 CG1 VAL A 77 -5.339 -0.645 -10.896 1.00 0.00 C ATOM 1157 CG2 VAL A 77 -5.845 -0.716 -8.456 1.00 0.00 C ATOM 0 H VAL A 77 -7.999 -1.198 -9.446 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.391 -3.035 -10.982 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.602 -2.121 -9.482 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.578 0.102 -10.669 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.026 -1.231 -11.761 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.283 -0.147 -11.118 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.051 0.015 -8.302 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.791 -0.197 -8.612 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.924 -1.357 -7.578 1.00 0.00 H new ATOM 1167 N VAL A 78 -7.364 -4.860 -9.320 1.00 0.00 N ATOM 1168 CA VAL A 78 -7.469 -6.128 -8.569 1.00 0.00 C ATOM 1169 C VAL A 78 -6.319 -7.123 -8.822 1.00 0.00 C ATOM 1170 O VAL A 78 -6.209 -8.132 -8.124 1.00 0.00 O ATOM 1171 CB VAL A 78 -8.819 -6.824 -8.845 1.00 0.00 C ATOM 1172 CG1 VAL A 78 -9.999 -5.986 -8.342 1.00 0.00 C ATOM 1173 CG2 VAL A 78 -9.043 -7.146 -10.330 1.00 0.00 C ATOM 0 H VAL A 78 -8.038 -4.803 -10.084 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.398 -5.835 -7.521 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.770 -7.765 -8.296 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.932 -6.508 -8.554 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.905 -5.833 -7.267 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.001 -5.020 -8.847 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.010 -7.634 -10.455 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.025 -6.223 -10.909 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.253 -7.810 -10.681 1.00 0.00 H new ATOM 1183 N SER A 79 -5.462 -6.861 -9.812 1.00 0.00 N ATOM 1184 CA SER A 79 -4.358 -7.732 -10.255 1.00 0.00 C ATOM 1185 C SER A 79 -3.128 -7.655 -9.328 1.00 0.00 C ATOM 1186 O SER A 79 -2.065 -7.172 -9.719 1.00 0.00 O ATOM 1187 CB SER A 79 -3.988 -7.409 -11.711 1.00 0.00 C ATOM 1188 OG SER A 79 -5.126 -7.535 -12.553 1.00 0.00 O ATOM 0 H SER A 79 -5.517 -5.999 -10.354 1.00 0.00 H new ATOM 0 HA SER A 79 -4.709 -8.763 -10.199 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.591 -6.396 -11.775 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.201 -8.082 -12.050 1.00 0.00 H new ATOM 0 HG SER A 79 -4.875 -7.324 -13.476 1.00 0.00 H new ATOM 1194 N ILE A 80 -3.286 -8.108 -8.081 1.00 0.00 N ATOM 1195 CA ILE A 80 -2.304 -7.977 -6.989 1.00 0.00 C ATOM 1196 C ILE A 80 -0.908 -8.589 -7.290 1.00 0.00 C ATOM 1197 O ILE A 80 -0.820 -9.551 -8.061 1.00 0.00 O ATOM 1198 CB ILE A 80 -2.880 -8.570 -5.679 1.00 0.00 C ATOM 1199 CG1 ILE A 80 -3.127 -10.092 -5.744 1.00 0.00 C ATOM 1200 CG2 ILE A 80 -4.140 -7.807 -5.230 1.00 0.00 C ATOM 1201 CD1 ILE A 80 -3.412 -10.682 -4.360 1.00 0.00 C ATOM 0 H ILE A 80 -4.133 -8.596 -7.788 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.132 -6.906 -6.879 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.109 -8.433 -4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.969 -10.296 -6.406 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.255 -10.583 -6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.522 -8.246 -4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.889 -6.760 -5.057 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.902 -7.874 -6.007 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.580 -11.755 -4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.560 -10.502 -3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.299 -10.210 -3.939 1.00 0.00 H new ATOM 1213 N PRO A 81 0.186 -8.094 -6.664 1.00 0.00 N ATOM 1214 CA PRO A 81 0.246 -6.948 -5.749 1.00 0.00 C ATOM 1215 C PRO A 81 0.039 -5.619 -6.476 1.00 0.00 C ATOM 1216 O PRO A 81 0.601 -5.401 -7.552 1.00 0.00 O ATOM 1217 CB PRO A 81 1.644 -6.980 -5.115 1.00 0.00 C ATOM 1218 CG PRO A 81 2.490 -7.706 -6.156 1.00 0.00 C ATOM 1219 CD PRO A 81 1.505 -8.694 -6.779 1.00 0.00 C ATOM 0 HA PRO A 81 -0.549 -7.021 -5.007 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.020 -5.975 -4.922 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.640 -7.508 -4.161 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.893 -7.017 -6.898 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.339 -8.216 -5.700 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.755 -8.884 -7.823 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.540 -9.654 -6.263 1.00 0.00 H new ATOM 1227 N THR A 82 -0.700 -4.712 -5.838 1.00 0.00 N ATOM 1228 CA THR A 82 -0.884 -3.333 -6.310 1.00 0.00 C ATOM 1229 C THR A 82 -0.578 -2.364 -5.177 1.00 0.00 C ATOM 1230 O THR A 82 -1.234 -2.391 -4.139 1.00 0.00 O ATOM 1231 CB THR A 82 -2.305 -3.076 -6.828 1.00 0.00 C ATOM 1232 OG1 THR A 82 -2.676 -4.021 -7.810 1.00 0.00 O ATOM 1233 CG2 THR A 82 -2.392 -1.689 -7.462 1.00 0.00 C ATOM 0 H THR A 82 -1.195 -4.913 -4.969 1.00 0.00 H new ATOM 0 HA THR A 82 -0.198 -3.179 -7.143 1.00 0.00 H new ATOM 0 HB THR A 82 -2.976 -3.155 -5.973 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.645 -3.983 -7.951 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.405 -1.518 -7.826 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.141 -0.933 -6.718 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.692 -1.625 -8.295 1.00 0.00 H new ATOM 1241 N LEU A 83 0.392 -1.480 -5.390 1.00 0.00 N ATOM 1242 CA LEU A 83 0.824 -0.467 -4.435 1.00 0.00 C ATOM 1243 C LEU A 83 0.346 0.900 -4.934 1.00 0.00 C ATOM 1244 O LEU A 83 0.652 1.282 -6.063 1.00 0.00 O ATOM 1245 CB LEU A 83 2.356 -0.502 -4.285 1.00 0.00 C ATOM 1246 CG LEU A 83 2.968 -1.722 -3.565 1.00 0.00 C ATOM 1247 CD1 LEU A 83 2.864 -3.047 -4.327 1.00 0.00 C ATOM 1248 CD2 LEU A 83 4.461 -1.456 -3.373 1.00 0.00 C ATOM 0 H LEU A 83 0.917 -1.449 -6.264 1.00 0.00 H new ATOM 0 HA LEU A 83 0.394 -0.661 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.794 -0.443 -5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.663 0.396 -3.748 1.00 0.00 H new ATOM 0 HG LEU A 83 2.403 -1.832 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.322 -3.842 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.815 -3.284 -4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.381 -2.959 -5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.919 -2.305 -2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.934 -1.316 -4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.596 -0.557 -2.772 1.00 0.00 H new ATOM 1260 N ILE A 84 -0.378 1.651 -4.110 1.00 0.00 N ATOM 1261 CA ILE A 84 -0.839 3.011 -4.422 1.00 0.00 C ATOM 1262 C ILE A 84 -0.455 3.974 -3.295 1.00 0.00 C ATOM 1263 O ILE A 84 -0.699 3.706 -2.121 1.00 0.00 O ATOM 1264 CB ILE A 84 -2.345 3.028 -4.780 1.00 0.00 C ATOM 1265 CG1 ILE A 84 -2.774 4.458 -5.178 1.00 0.00 C ATOM 1266 CG2 ILE A 84 -3.233 2.442 -3.666 1.00 0.00 C ATOM 1267 CD1 ILE A 84 -4.180 4.548 -5.780 1.00 0.00 C ATOM 0 H ILE A 84 -0.670 1.330 -3.187 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.329 3.368 -5.317 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.491 2.371 -5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.727 5.098 -4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.057 4.853 -5.898 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.278 2.481 -3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.948 1.406 -3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.103 3.023 -2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.402 5.585 -6.031 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.230 3.937 -6.682 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.910 4.186 -5.056 1.00 0.00 H new ATOM 1279 N LEU A 85 0.158 5.101 -3.651 1.00 0.00 N ATOM 1280 CA LEU A 85 0.569 6.153 -2.728 1.00 0.00 C ATOM 1281 C LEU A 85 -0.337 7.376 -2.901 1.00 0.00 C ATOM 1282 O LEU A 85 -0.489 7.892 -4.011 1.00 0.00 O ATOM 1283 CB LEU A 85 2.058 6.475 -2.966 1.00 0.00 C ATOM 1284 CG LEU A 85 2.672 7.475 -1.969 1.00 0.00 C ATOM 1285 CD1 LEU A 85 2.870 6.883 -0.578 1.00 0.00 C ATOM 1286 CD2 LEU A 85 4.039 7.947 -2.459 1.00 0.00 C ATOM 0 H LEU A 85 0.389 5.312 -4.622 1.00 0.00 H new ATOM 0 HA LEU A 85 0.463 5.824 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.627 5.546 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.172 6.873 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 85 1.963 8.300 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.306 7.636 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.907 6.565 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.539 6.024 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.458 8.653 -1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.706 7.090 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.930 8.435 -3.428 1.00 0.00 H new ATOM 1298 N PHE A 86 -0.891 7.858 -1.792 1.00 0.00 N ATOM 1299 CA PHE A 86 -1.617 9.122 -1.688 1.00 0.00 C ATOM 1300 C PHE A 86 -0.787 10.147 -0.903 1.00 0.00 C ATOM 1301 O PHE A 86 0.009 9.779 -0.040 1.00 0.00 O ATOM 1302 CB PHE A 86 -2.986 8.904 -1.021 1.00 0.00 C ATOM 1303 CG PHE A 86 -3.935 7.969 -1.750 1.00 0.00 C ATOM 1304 CD1 PHE A 86 -3.826 6.575 -1.583 1.00 0.00 C ATOM 1305 CD2 PHE A 86 -4.960 8.492 -2.563 1.00 0.00 C ATOM 1306 CE1 PHE A 86 -4.732 5.714 -2.226 1.00 0.00 C ATOM 1307 CE2 PHE A 86 -5.858 7.630 -3.216 1.00 0.00 C ATOM 1308 CZ PHE A 86 -5.745 6.239 -3.046 1.00 0.00 C ATOM 0 H PHE A 86 -0.845 7.358 -0.904 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.787 9.511 -2.692 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.822 8.514 -0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.474 9.873 -0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.044 6.167 -0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -5.056 9.561 -2.685 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.649 4.646 -2.089 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.634 8.036 -3.848 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.436 5.575 -3.545 1.00 0.00 H new ATOM 1318 N LYS A 87 -1.002 11.435 -1.174 1.00 0.00 N ATOM 1319 CA LYS A 87 -0.422 12.581 -0.462 1.00 0.00 C ATOM 1320 C LYS A 87 -1.523 13.611 -0.207 1.00 0.00 C ATOM 1321 O LYS A 87 -2.210 14.019 -1.141 1.00 0.00 O ATOM 1322 CB LYS A 87 0.749 13.127 -1.292 1.00 0.00 C ATOM 1323 CG LYS A 87 1.624 14.141 -0.541 1.00 0.00 C ATOM 1324 CD LYS A 87 2.929 14.376 -1.324 1.00 0.00 C ATOM 1325 CE LYS A 87 3.951 15.242 -0.574 1.00 0.00 C ATOM 1326 NZ LYS A 87 3.517 16.660 -0.452 1.00 0.00 N ATOM 0 H LYS A 87 -1.617 11.725 -1.935 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.022 12.299 0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.372 12.293 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.355 13.598 -2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.086 15.081 -0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.850 13.772 0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.383 13.412 -1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.691 14.852 -2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.112 14.828 0.421 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.908 15.202 -1.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.241 17.202 0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.388 17.067 -1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.618 16.704 0.068 1.00 0.00 H new ATOM 1340 N ASP A 88 -1.753 13.962 1.059 1.00 0.00 N ATOM 1341 CA ASP A 88 -2.923 14.749 1.503 1.00 0.00 C ATOM 1342 C ASP A 88 -4.273 14.175 0.992 1.00 0.00 C ATOM 1343 O ASP A 88 -5.188 14.908 0.611 1.00 0.00 O ATOM 1344 CB ASP A 88 -2.690 16.240 1.192 1.00 0.00 C ATOM 1345 CG ASP A 88 -3.687 17.175 1.901 1.00 0.00 C ATOM 1346 OD1 ASP A 88 -3.873 17.043 3.134 1.00 0.00 O ATOM 1347 OD2 ASP A 88 -4.239 18.088 1.239 1.00 0.00 O ATOM 0 H ASP A 88 -1.127 13.708 1.823 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.019 14.663 2.585 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.676 16.511 1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.761 16.394 0.115 1.00 0.00 H new ATOM 1352 N GLY A 89 -4.372 12.839 0.911 1.00 0.00 N ATOM 1353 CA GLY A 89 -5.528 12.096 0.385 1.00 0.00 C ATOM 1354 C GLY A 89 -5.739 12.148 -1.138 1.00 0.00 C ATOM 1355 O GLY A 89 -6.757 11.648 -1.616 1.00 0.00 O ATOM 0 H GLY A 89 -3.621 12.223 1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.426 11.052 0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.428 12.477 0.868 1.00 0.00 H new ATOM 1359 N GLN A 90 -4.807 12.712 -1.914 1.00 0.00 N ATOM 1360 CA GLN A 90 -4.829 12.713 -3.388 1.00 0.00 C ATOM 1361 C GLN A 90 -3.775 11.732 -3.941 1.00 0.00 C ATOM 1362 O GLN A 90 -2.666 11.696 -3.405 1.00 0.00 O ATOM 1363 CB GLN A 90 -4.583 14.136 -3.916 1.00 0.00 C ATOM 1364 CG GLN A 90 -5.687 15.121 -3.500 1.00 0.00 C ATOM 1365 CD GLN A 90 -5.415 16.527 -4.030 1.00 0.00 C ATOM 1366 OE1 GLN A 90 -5.928 16.946 -5.062 1.00 0.00 O ATOM 1367 NE2 GLN A 90 -4.590 17.307 -3.362 1.00 0.00 N ATOM 0 H GLN A 90 -3.995 13.193 -1.529 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.810 12.383 -3.729 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.623 14.495 -3.546 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.516 14.109 -5.004 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -6.649 14.770 -3.875 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.760 15.149 -2.413 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.156 16.972 -2.502 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.386 18.246 -3.705 1.00 0.00 H new ATOM 1376 N PRO A 91 -4.061 10.923 -4.979 1.00 0.00 N ATOM 1377 CA PRO A 91 -3.109 9.927 -5.478 1.00 0.00 C ATOM 1378 C PRO A 91 -1.886 10.582 -6.146 1.00 0.00 C ATOM 1379 O PRO A 91 -2.016 11.556 -6.893 1.00 0.00 O ATOM 1380 CB PRO A 91 -3.909 9.045 -6.443 1.00 0.00 C ATOM 1381 CG PRO A 91 -5.015 9.978 -6.941 1.00 0.00 C ATOM 1382 CD PRO A 91 -5.309 10.855 -5.724 1.00 0.00 C ATOM 0 HA PRO A 91 -2.686 9.333 -4.668 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.290 8.682 -7.263 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.318 8.168 -5.941 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.687 10.571 -7.795 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.897 9.422 -7.259 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.639 11.849 -6.028 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.106 10.427 -5.116 1.00 0.00 H new ATOM 1390 N VAL A 92 -0.696 10.023 -5.896 1.00 0.00 N ATOM 1391 CA VAL A 92 0.606 10.537 -6.379 1.00 0.00 C ATOM 1392 C VAL A 92 1.522 9.473 -7.004 1.00 0.00 C ATOM 1393 O VAL A 92 2.434 9.829 -7.754 1.00 0.00 O ATOM 1394 CB VAL A 92 1.368 11.302 -5.272 1.00 0.00 C ATOM 1395 CG1 VAL A 92 0.682 12.627 -4.931 1.00 0.00 C ATOM 1396 CG2 VAL A 92 1.556 10.485 -3.991 1.00 0.00 C ATOM 0 H VAL A 92 -0.602 9.175 -5.336 1.00 0.00 H new ATOM 0 HA VAL A 92 0.341 11.225 -7.182 1.00 0.00 H new ATOM 0 HB VAL A 92 2.356 11.498 -5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.245 13.138 -4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.643 13.256 -5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.331 12.432 -4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.098 11.080 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.581 10.210 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.123 9.582 -4.215 1.00 0.00 H new ATOM 1406 N LYS A 93 1.300 8.174 -6.754 1.00 0.00 N ATOM 1407 CA LYS A 93 1.994 7.066 -7.447 1.00 0.00 C ATOM 1408 C LYS A 93 1.143 5.792 -7.435 1.00 0.00 C ATOM 1409 O LYS A 93 0.469 5.527 -6.441 1.00 0.00 O ATOM 1410 CB LYS A 93 3.360 6.806 -6.770 1.00 0.00 C ATOM 1411 CG LYS A 93 4.342 5.968 -7.607 1.00 0.00 C ATOM 1412 CD LYS A 93 4.887 6.648 -8.874 1.00 0.00 C ATOM 1413 CE LYS A 93 5.735 7.892 -8.566 1.00 0.00 C ATOM 1414 NZ LYS A 93 4.997 9.165 -8.775 1.00 0.00 N ATOM 0 H LYS A 93 0.627 7.854 -6.058 1.00 0.00 H new ATOM 0 HA LYS A 93 2.155 7.351 -8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.825 7.765 -6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.189 6.300 -5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.185 5.691 -6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.845 5.043 -7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.490 5.933 -9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.053 6.933 -9.515 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.079 7.844 -7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.623 7.885 -9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.505 9.942 -8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.927 9.363 -9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.042 9.083 -8.372 1.00 0.00 H new ATOM 1428 N ARG A 94 1.208 4.978 -8.495 1.00 0.00 N ATOM 1429 CA ARG A 94 0.663 3.607 -8.521 1.00 0.00 C ATOM 1430 C ARG A 94 1.612 2.632 -9.228 1.00 0.00 C ATOM 1431 O ARG A 94 2.145 2.945 -10.293 1.00 0.00 O ATOM 1432 CB ARG A 94 -0.752 3.623 -9.124 1.00 0.00 C ATOM 1433 CG ARG A 94 -1.474 2.274 -8.957 1.00 0.00 C ATOM 1434 CD ARG A 94 -2.965 2.370 -9.303 1.00 0.00 C ATOM 1435 NE ARG A 94 -3.201 2.662 -10.732 1.00 0.00 N ATOM 1436 CZ ARG A 94 -4.368 2.910 -11.301 1.00 0.00 C ATOM 1437 NH1 ARG A 94 -5.482 2.923 -10.625 1.00 0.00 N ATOM 1438 NH2 ARG A 94 -4.441 3.143 -12.579 1.00 0.00 N ATOM 0 H ARG A 94 1.646 5.253 -9.374 1.00 0.00 H new ATOM 0 HA ARG A 94 0.579 3.236 -7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.339 4.408 -8.647 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.690 3.871 -10.184 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.001 1.529 -9.597 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.362 1.929 -7.929 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.455 1.432 -9.042 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.425 3.150 -8.696 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.382 2.673 -11.340 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.472 2.738 -9.622 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.364 3.118 -11.099 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.595 3.135 -13.148 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.345 3.334 -13.012 1.00 0.00 H new ATOM 1452 N ILE A 95 1.814 1.462 -8.625 1.00 0.00 N ATOM 1453 CA ILE A 95 2.682 0.366 -9.075 1.00 0.00 C ATOM 1454 C ILE A 95 1.887 -0.951 -9.036 1.00 0.00 C ATOM 1455 O ILE A 95 1.089 -1.166 -8.124 1.00 0.00 O ATOM 1456 CB ILE A 95 3.966 0.259 -8.204 1.00 0.00 C ATOM 1457 CG1 ILE A 95 4.656 1.606 -7.862 1.00 0.00 C ATOM 1458 CG2 ILE A 95 4.998 -0.640 -8.910 1.00 0.00 C ATOM 1459 CD1 ILE A 95 4.154 2.261 -6.565 1.00 0.00 C ATOM 0 H ILE A 95 1.345 1.235 -7.748 1.00 0.00 H new ATOM 0 HA ILE A 95 3.005 0.570 -10.096 1.00 0.00 H new ATOM 0 HB ILE A 95 3.623 -0.160 -7.258 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.730 1.440 -7.780 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.503 2.300 -8.689 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.897 -0.713 -8.297 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.576 -1.634 -9.055 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.253 -0.210 -9.878 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.687 3.197 -6.400 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.086 2.462 -6.649 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.332 1.589 -5.725 1.00 0.00 H new ATOM 1471 N VAL A 96 2.122 -1.860 -9.984 1.00 0.00 N ATOM 1472 CA VAL A 96 1.602 -3.242 -9.968 1.00 0.00 C ATOM 1473 C VAL A 96 2.720 -4.236 -10.305 1.00 0.00 C ATOM 1474 O VAL A 96 3.580 -3.958 -11.145 1.00 0.00 O ATOM 1475 CB VAL A 96 0.335 -3.396 -10.841 1.00 0.00 C ATOM 1476 CG1 VAL A 96 0.476 -2.786 -12.244 1.00 0.00 C ATOM 1477 CG2 VAL A 96 -0.115 -4.850 -11.005 1.00 0.00 C ATOM 0 H VAL A 96 2.691 -1.658 -10.806 1.00 0.00 H new ATOM 0 HA VAL A 96 1.269 -3.481 -8.958 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.420 -2.842 -10.283 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.451 -2.932 -12.799 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.683 -1.719 -12.158 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.296 -3.274 -12.772 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.009 -4.886 -11.628 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.681 -5.426 -11.478 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.338 -5.274 -10.026 1.00 0.00 H new ATOM 1487 N GLY A 97 2.723 -5.383 -9.621 1.00 0.00 N ATOM 1488 CA GLY A 97 3.841 -6.335 -9.598 1.00 0.00 C ATOM 1489 C GLY A 97 4.891 -5.999 -8.526 1.00 0.00 C ATOM 1490 O GLY A 97 4.999 -4.859 -8.067 1.00 0.00 O ATOM 0 H GLY A 97 1.930 -5.684 -9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.454 -7.338 -9.418 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.320 -6.349 -10.577 1.00 0.00 H new ATOM 1494 N ALA A 98 5.649 -7.010 -8.092 1.00 0.00 N ATOM 1495 CA ALA A 98 6.624 -6.888 -7.005 1.00 0.00 C ATOM 1496 C ALA A 98 7.920 -6.174 -7.437 1.00 0.00 C ATOM 1497 O ALA A 98 8.433 -6.402 -8.537 1.00 0.00 O ATOM 1498 CB ALA A 98 6.908 -8.285 -6.440 1.00 0.00 C ATOM 0 H ALA A 98 5.602 -7.948 -8.491 1.00 0.00 H new ATOM 0 HA ALA A 98 6.195 -6.256 -6.227 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.633 -8.209 -5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.983 -8.719 -6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.310 -8.921 -7.228 1.00 0.00 H new ATOM 1504 N LYS A 99 8.470 -5.340 -6.541 1.00 0.00 N ATOM 1505 CA LYS A 99 9.763 -4.641 -6.686 1.00 0.00 C ATOM 1506 C LYS A 99 10.605 -4.781 -5.409 1.00 0.00 C ATOM 1507 O LYS A 99 10.048 -4.864 -4.313 1.00 0.00 O ATOM 1508 CB LYS A 99 9.529 -3.164 -7.068 1.00 0.00 C ATOM 1509 CG LYS A 99 8.838 -3.030 -8.438 1.00 0.00 C ATOM 1510 CD LYS A 99 8.852 -1.597 -8.990 1.00 0.00 C ATOM 1511 CE LYS A 99 8.138 -1.587 -10.350 1.00 0.00 C ATOM 1512 NZ LYS A 99 8.296 -0.294 -11.067 1.00 0.00 N ATOM 0 H LYS A 99 8.009 -5.123 -5.657 1.00 0.00 H new ATOM 0 HA LYS A 99 10.330 -5.105 -7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 99 8.918 -2.683 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.484 -2.638 -7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.330 -3.691 -9.151 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.805 -3.368 -8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.354 -0.920 -8.296 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.877 -1.244 -9.099 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.532 -2.393 -10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.077 -1.789 -10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.811 -0.345 -11.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.881 0.471 -10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.307 -0.103 -11.220 1.00 0.00 H new ATOM 1526 N GLY A 100 11.936 -4.800 -5.538 1.00 0.00 N ATOM 1527 CA GLY A 100 12.866 -4.795 -4.408 1.00 0.00 C ATOM 1528 C GLY A 100 13.007 -3.396 -3.811 1.00 0.00 C ATOM 1529 O GLY A 100 12.571 -2.413 -4.412 1.00 0.00 O ATOM 0 H GLY A 100 12.403 -4.820 -6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.514 -5.486 -3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.842 -5.153 -4.736 1.00 0.00 H new ATOM 1533 N LYS A 101 13.637 -3.283 -2.640 1.00 0.00 N ATOM 1534 CA LYS A 101 13.737 -2.017 -1.879 1.00 0.00 C ATOM 1535 C LYS A 101 14.357 -0.866 -2.651 1.00 0.00 C ATOM 1536 O LYS A 101 13.941 0.274 -2.469 1.00 0.00 O ATOM 1537 CB LYS A 101 14.503 -2.249 -0.569 1.00 0.00 C ATOM 1538 CG LYS A 101 14.065 -1.234 0.501 1.00 0.00 C ATOM 1539 CD LYS A 101 14.808 -1.496 1.807 1.00 0.00 C ATOM 1540 CE LYS A 101 14.321 -0.571 2.926 1.00 0.00 C ATOM 1541 NZ LYS A 101 15.180 -0.775 4.115 1.00 0.00 N ATOM 0 H LYS A 101 14.099 -4.069 -2.182 1.00 0.00 H new ATOM 0 HA LYS A 101 12.711 -1.714 -1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.324 -3.263 -0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.575 -2.158 -0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.267 -0.220 0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.990 -1.307 0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.666 -2.535 2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.877 -1.351 1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.364 0.469 2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.281 -0.787 3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.746 -0.313 4.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.280 -1.793 4.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.118 -0.362 3.940 1.00 0.00 H new ATOM 1555 N ALA A 102 15.305 -1.159 -3.535 1.00 0.00 N ATOM 1556 CA ALA A 102 15.936 -0.132 -4.364 1.00 0.00 C ATOM 1557 C ALA A 102 14.900 0.521 -5.298 1.00 0.00 C ATOM 1558 O ALA A 102 14.681 1.732 -5.252 1.00 0.00 O ATOM 1559 CB ALA A 102 17.111 -0.759 -5.127 1.00 0.00 C ATOM 0 H ALA A 102 15.656 -2.103 -3.698 1.00 0.00 H new ATOM 0 HA ALA A 102 16.331 0.668 -3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.588 -0.001 -5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.837 -1.155 -4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 102 16.744 -1.568 -5.759 1.00 0.00 H new ATOM 1565 N ALA A 103 14.177 -0.290 -6.074 1.00 0.00 N ATOM 1566 CA ALA A 103 13.162 0.193 -7.003 1.00 0.00 C ATOM 1567 C ALA A 103 11.886 0.682 -6.291 1.00 0.00 C ATOM 1568 O ALA A 103 11.321 1.691 -6.717 1.00 0.00 O ATOM 1569 CB ALA A 103 12.891 -0.909 -8.031 1.00 0.00 C ATOM 0 H ALA A 103 14.283 -1.305 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 103 13.535 1.078 -7.519 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.134 -0.569 -8.737 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.811 -1.140 -8.568 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.535 -1.804 -7.520 1.00 0.00 H new ATOM 1575 N LEU A 104 11.459 0.068 -5.174 1.00 0.00 N ATOM 1576 CA LEU A 104 10.334 0.604 -4.409 1.00 0.00 C ATOM 1577 C LEU A 104 10.693 1.956 -3.765 1.00 0.00 C ATOM 1578 O LEU A 104 9.884 2.874 -3.838 1.00 0.00 O ATOM 1579 CB LEU A 104 9.797 -0.458 -3.427 1.00 0.00 C ATOM 1580 CG LEU A 104 8.498 -0.055 -2.693 1.00 0.00 C ATOM 1581 CD1 LEU A 104 7.401 0.471 -3.624 1.00 0.00 C ATOM 1582 CD2 LEU A 104 7.910 -1.253 -1.948 1.00 0.00 C ATOM 0 H LEU A 104 11.870 -0.783 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 104 9.506 0.828 -5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.617 -1.383 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.567 -0.671 -2.685 1.00 0.00 H new ATOM 0 HG LEU A 104 8.795 0.745 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.521 0.733 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.763 1.354 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.138 -0.300 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.996 -0.951 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.683 -2.048 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.632 -1.616 -1.216 1.00 0.00 H new ATOM 1594 N LEU A 105 11.915 2.163 -3.255 1.00 0.00 N ATOM 1595 CA LEU A 105 12.360 3.505 -2.850 1.00 0.00 C ATOM 1596 C LEU A 105 12.735 4.422 -4.028 1.00 0.00 C ATOM 1597 O LEU A 105 12.819 5.611 -3.793 1.00 0.00 O ATOM 1598 CB LEU A 105 13.412 3.493 -1.715 1.00 0.00 C ATOM 1599 CG LEU A 105 13.119 4.400 -0.488 1.00 0.00 C ATOM 1600 CD1 LEU A 105 12.844 5.873 -0.756 1.00 0.00 C ATOM 1601 CD2 LEU A 105 11.948 3.851 0.329 1.00 0.00 C ATOM 0 H LEU A 105 12.607 1.427 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 105 11.475 3.967 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.522 2.467 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 105 14.372 3.790 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 105 14.066 4.369 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 105 12.656 6.386 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 105 13.708 6.321 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.971 5.969 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 105 11.762 4.503 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 105 11.056 3.809 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 105 12.190 2.849 0.684 1.00 0.00 H new ATOM 1613 N ARG A 106 12.877 3.999 -5.294 1.00 0.00 N ATOM 1614 CA ARG A 106 12.758 4.959 -6.430 1.00 0.00 C ATOM 1615 C ARG A 106 11.323 5.510 -6.526 1.00 0.00 C ATOM 1616 O ARG A 106 11.073 6.722 -6.404 1.00 0.00 O ATOM 1617 CB ARG A 106 13.190 4.333 -7.771 1.00 0.00 C ATOM 1618 CG ARG A 106 14.692 4.033 -7.851 1.00 0.00 C ATOM 1619 CD ARG A 106 15.055 3.408 -9.203 1.00 0.00 C ATOM 1620 NE ARG A 106 16.491 3.073 -9.271 1.00 0.00 N ATOM 1621 CZ ARG A 106 17.119 2.490 -10.278 1.00 0.00 C ATOM 1622 NH1 ARG A 106 16.500 2.136 -11.370 1.00 0.00 N ATOM 1623 NH2 ARG A 106 18.396 2.248 -10.206 1.00 0.00 N ATOM 0 H ARG A 106 13.068 3.034 -5.564 1.00 0.00 H new ATOM 0 HA ARG A 106 13.440 5.784 -6.226 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.634 3.408 -7.927 1.00 0.00 H new ATOM 0 HB3 ARG A 106 12.919 5.009 -8.582 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.259 4.953 -7.708 1.00 0.00 H new ATOM 0 HG3 ARG A 106 14.975 3.356 -7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 106 14.461 2.507 -9.361 1.00 0.00 H new ATOM 0 HD3 ARG A 106 14.803 4.101 -10.006 1.00 0.00 H new ATOM 0 HE ARG A 106 17.057 3.316 -8.458 1.00 0.00 H new ATOM 0 HH11 ARG A 106 15.499 2.307 -11.467 1.00 0.00 H new ATOM 0 HH12 ARG A 106 17.017 1.688 -12.127 1.00 0.00 H new ATOM 0 HH21 ARG A 106 18.918 2.508 -9.369 1.00 0.00 H new ATOM 0 HH22 ARG A 106 18.875 1.798 -10.986 1.00 0.00 H new ATOM 1637 N GLU A 107 10.376 4.577 -6.651 1.00 0.00 N ATOM 1638 CA GLU A 107 8.941 4.854 -6.826 1.00 0.00 C ATOM 1639 C GLU A 107 8.376 5.711 -5.681 1.00 0.00 C ATOM 1640 O GLU A 107 7.555 6.599 -5.912 1.00 0.00 O ATOM 1641 CB GLU A 107 8.166 3.535 -6.931 1.00 0.00 C ATOM 1642 CG GLU A 107 8.550 2.705 -8.164 1.00 0.00 C ATOM 1643 CD GLU A 107 7.801 3.086 -9.452 1.00 0.00 C ATOM 1644 OE1 GLU A 107 7.688 4.289 -9.779 1.00 0.00 O ATOM 1645 OE2 GLU A 107 7.372 2.150 -10.172 1.00 0.00 O ATOM 0 H GLU A 107 10.588 3.579 -6.633 1.00 0.00 H new ATOM 0 HA GLU A 107 8.823 5.423 -7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.344 2.944 -6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.098 3.750 -6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.621 2.811 -8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.364 1.653 -7.949 1.00 0.00 H new ATOM 1652 N LEU A 108 8.866 5.481 -4.457 1.00 0.00 N ATOM 1653 CA LEU A 108 8.526 6.252 -3.262 1.00 0.00 C ATOM 1654 C LEU A 108 9.472 7.428 -3.007 1.00 0.00 C ATOM 1655 O LEU A 108 9.003 8.413 -2.448 1.00 0.00 O ATOM 1656 CB LEU A 108 8.476 5.332 -2.033 1.00 0.00 C ATOM 1657 CG LEU A 108 7.483 4.165 -2.154 1.00 0.00 C ATOM 1658 CD1 LEU A 108 7.671 3.240 -0.959 1.00 0.00 C ATOM 1659 CD2 LEU A 108 6.024 4.610 -2.209 1.00 0.00 C ATOM 0 H LEU A 108 9.530 4.730 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 108 7.541 6.683 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.473 4.928 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.213 5.928 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 108 7.695 3.660 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 108 6.973 2.406 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.692 2.858 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.483 3.792 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.380 3.735 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.776 5.156 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.873 5.257 -3.073 1.00 0.00 H new ATOM 1671 N SER A 109 10.752 7.409 -3.417 1.00 0.00 N ATOM 1672 CA SER A 109 11.629 8.596 -3.256 1.00 0.00 C ATOM 1673 C SER A 109 11.181 9.773 -4.121 1.00 0.00 C ATOM 1674 O SER A 109 11.504 10.921 -3.808 1.00 0.00 O ATOM 1675 CB SER A 109 13.137 8.432 -3.486 1.00 0.00 C ATOM 1676 OG SER A 109 13.443 8.016 -4.797 1.00 0.00 O ATOM 0 H SER A 109 11.202 6.605 -3.855 1.00 0.00 H new ATOM 0 HA SER A 109 11.501 8.772 -2.188 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.637 9.379 -3.283 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.532 7.705 -2.777 1.00 0.00 H new ATOM 0 HG SER A 109 13.450 7.037 -4.836 1.00 0.00 H new ATOM 1682 N ASP A 110 10.364 9.515 -5.153 1.00 0.00 N ATOM 1683 CA ASP A 110 9.576 10.579 -5.802 1.00 0.00 C ATOM 1684 C ASP A 110 8.767 11.465 -4.805 1.00 0.00 C ATOM 1685 O ASP A 110 8.460 12.619 -5.110 1.00 0.00 O ATOM 1686 CB ASP A 110 8.650 9.938 -6.843 1.00 0.00 C ATOM 1687 CG ASP A 110 8.010 10.984 -7.768 1.00 0.00 C ATOM 1688 OD1 ASP A 110 8.750 11.689 -8.496 1.00 0.00 O ATOM 1689 OD2 ASP A 110 6.759 11.061 -7.811 1.00 0.00 O ATOM 0 H ASP A 110 10.231 8.587 -5.555 1.00 0.00 H new ATOM 0 HA ASP A 110 10.278 11.262 -6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 110 9.216 9.224 -7.441 1.00 0.00 H new ATOM 0 HB3 ASP A 110 7.866 9.377 -6.334 1.00 0.00 H new ATOM 1694 N VAL A 111 8.477 10.955 -3.597 1.00 0.00 N ATOM 1695 CA VAL A 111 7.889 11.653 -2.435 1.00 0.00 C ATOM 1696 C VAL A 111 8.845 11.719 -1.224 1.00 0.00 C ATOM 1697 O VAL A 111 8.830 12.707 -0.489 1.00 0.00 O ATOM 1698 CB VAL A 111 6.568 10.942 -2.066 1.00 0.00 C ATOM 1699 CG1 VAL A 111 5.973 11.388 -0.726 1.00 0.00 C ATOM 1700 CG2 VAL A 111 5.514 11.219 -3.149 1.00 0.00 C ATOM 0 H VAL A 111 8.659 9.973 -3.389 1.00 0.00 H new ATOM 0 HA VAL A 111 7.700 12.690 -2.711 1.00 0.00 H new ATOM 0 HB VAL A 111 6.817 9.884 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.048 10.843 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.684 11.181 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.764 12.457 -0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 111 4.583 10.717 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.340 12.293 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.871 10.844 -4.108 1.00 0.00 H new ATOM 1710 N VAL A 112 9.677 10.693 -1.008 1.00 0.00 N ATOM 1711 CA VAL A 112 10.553 10.486 0.163 1.00 0.00 C ATOM 1712 C VAL A 112 12.001 10.917 -0.147 1.00 0.00 C ATOM 1713 O VAL A 112 12.765 10.122 -0.701 1.00 0.00 O ATOM 1714 CB VAL A 112 10.476 9.006 0.633 1.00 0.00 C ATOM 1715 CG1 VAL A 112 11.338 8.744 1.872 1.00 0.00 C ATOM 1716 CG2 VAL A 112 9.037 8.613 0.996 1.00 0.00 C ATOM 0 H VAL A 112 9.766 9.935 -1.685 1.00 0.00 H new ATOM 0 HA VAL A 112 10.203 11.116 0.981 1.00 0.00 H new ATOM 0 HB VAL A 112 10.843 8.414 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.251 7.697 2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.379 8.972 1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.998 9.376 2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.015 7.573 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.677 9.253 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.396 8.734 0.123 1.00 0.00 H new