USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 734 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 89 SER OG : rot 140:sc= 0.0217 USER MOD Set 1.2: A 91 ASN : amide:sc= -11.4! C(o=-11!,f=-17!) USER MOD Set 2.1: A 68 ASN : amide:sc= -2.18 K(o=-4.3,f=-2.3!) USER MOD Set 2.2: A 69 ASN : amide:sc= -2.12 K(o=-4.3,f=-0.57) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= -0.0849 (180deg=-0.41) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 40 LYS NZ :NH3+ 159:sc= -0.0682 (180deg=-0.383) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 149:sc= -0.257 (180deg=-2.04!) USER MOD Single : A 45 HIS : no HD1:sc=-0.00332 X(o=-0.0033,f=-0.012) USER MOD Single : A 47 SER OG : rot 86:sc= -1.17! USER MOD Single : A 48 HIS : no HE2:sc= -11! C(o=-11!,f=-13!) USER MOD Single : A 54 HIS : no HD1:sc= -0.451 K(o=-0.45,f=-1.4) USER MOD Single : A 55 SER OG : rot 180:sc= -0.673 USER MOD Single : A 58 GLN : amide:sc= -2.2! C(o=-2.2!,f=-7.3!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -122:sc= -0.0164 (180deg=-0.977) USER MOD Single : A 67 LYS NZ :NH3+ -155:sc= -0.155 (180deg=-0.658) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.1!) USER MOD Single : A 75 HIS : no HE2:sc= -0.76 K(o=-0.76,f=-1.4) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 90 THR OG1 : rot -71:sc= 0.124 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LEU A 15 11.331 -3.935 -11.015 1.00 0.00 N ATOM 164 CA LEU A 15 10.030 -3.329 -10.753 1.00 0.00 C ATOM 165 C LEU A 15 8.919 -4.370 -10.834 1.00 0.00 C ATOM 166 O LEU A 15 8.802 -5.092 -11.823 1.00 0.00 O ATOM 167 CB LEU A 15 9.761 -2.201 -11.751 1.00 0.00 C ATOM 168 CG LEU A 15 10.271 -0.816 -11.351 1.00 0.00 C ATOM 169 CD1 LEU A 15 10.176 0.147 -12.524 1.00 0.00 C ATOM 170 CD2 LEU A 15 9.489 -0.285 -10.158 1.00 0.00 C ATOM 0 HA LEU A 15 10.045 -2.917 -9.744 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.213 -2.471 -12.705 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.685 -2.137 -11.915 1.00 0.00 H new ATOM 0 HG LEU A 15 11.319 -0.904 -11.064 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.543 1.127 -12.221 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.780 -0.227 -13.351 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.137 0.231 -12.842 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.865 0.701 -9.886 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.433 -0.212 -10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.608 -0.964 -9.314 1.00 0.00 H new ATOM 182 N ALA A 16 8.104 -4.441 -9.787 1.00 0.00 N ATOM 183 CA ALA A 16 6.999 -5.390 -9.741 1.00 0.00 C ATOM 184 C ALA A 16 5.661 -4.670 -9.612 1.00 0.00 C ATOM 185 O ALA A 16 5.572 -3.606 -8.997 1.00 0.00 O ATOM 186 CB ALA A 16 7.188 -6.365 -8.588 1.00 0.00 C ATOM 0 H ALA A 16 8.188 -3.852 -8.959 1.00 0.00 H new ATOM 0 HA ALA A 16 6.993 -5.948 -10.678 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.355 -7.068 -8.566 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.121 -6.912 -8.723 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.223 -5.814 -7.648 1.00 0.00 H new ATOM 192 N THR A 17 4.620 -5.254 -10.198 1.00 0.00 N ATOM 193 CA THR A 17 3.287 -4.668 -10.150 1.00 0.00 C ATOM 194 C THR A 17 2.606 -4.956 -8.817 1.00 0.00 C ATOM 195 O THR A 17 2.241 -6.095 -8.529 1.00 0.00 O ATOM 196 CB THR A 17 2.399 -5.197 -11.292 1.00 0.00 C ATOM 197 OG1 THR A 17 3.085 -5.075 -12.543 1.00 0.00 O ATOM 198 CG2 THR A 17 1.084 -4.436 -11.353 1.00 0.00 C ATOM 0 H THR A 17 4.675 -6.133 -10.712 1.00 0.00 H new ATOM 0 HA THR A 17 3.412 -3.591 -10.265 1.00 0.00 H new ATOM 0 HB THR A 17 2.183 -6.248 -11.097 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.514 -5.415 -13.264 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.474 -4.828 -12.167 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.550 -4.556 -10.410 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.283 -3.378 -11.525 1.00 0.00 H new ATOM 206 N VAL A 18 2.438 -3.915 -8.007 1.00 0.00 N ATOM 207 CA VAL A 18 1.799 -4.056 -6.704 1.00 0.00 C ATOM 208 C VAL A 18 0.441 -3.364 -6.680 1.00 0.00 C ATOM 209 O VAL A 18 0.357 -2.140 -6.572 1.00 0.00 O ATOM 210 CB VAL A 18 2.679 -3.476 -5.581 1.00 0.00 C ATOM 211 CG1 VAL A 18 2.020 -3.680 -4.226 1.00 0.00 C ATOM 212 CG2 VAL A 18 4.064 -4.106 -5.610 1.00 0.00 C ATOM 0 H VAL A 18 2.736 -2.965 -8.230 1.00 0.00 H new ATOM 0 HA VAL A 18 1.662 -5.124 -6.533 1.00 0.00 H new ATOM 0 HB VAL A 18 2.789 -2.404 -5.747 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.657 -3.264 -3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.053 -3.177 -4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.877 -4.746 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.672 -3.684 -4.810 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.977 -5.183 -5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.537 -3.902 -6.571 1.00 0.00 H new ATOM 222 N LYS A 19 -0.622 -4.155 -6.781 1.00 0.00 N ATOM 223 CA LYS A 19 -1.978 -3.619 -6.769 1.00 0.00 C ATOM 224 C LYS A 19 -2.357 -3.127 -5.376 1.00 0.00 C ATOM 225 O LYS A 19 -2.065 -3.782 -4.375 1.00 0.00 O ATOM 226 CB LYS A 19 -2.973 -4.685 -7.233 1.00 0.00 C ATOM 227 CG LYS A 19 -2.807 -5.079 -8.690 1.00 0.00 C ATOM 228 CD LYS A 19 -3.936 -5.985 -9.155 1.00 0.00 C ATOM 229 CE LYS A 19 -3.726 -7.419 -8.693 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.903 -8.278 -8.999 1.00 0.00 N ATOM 0 H LYS A 19 -0.571 -5.170 -6.872 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.014 -2.773 -7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.859 -5.572 -6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.987 -4.316 -7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.780 -4.183 -9.309 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.852 -5.588 -8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.885 -5.613 -8.769 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.001 -5.958 -10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.840 -7.831 -9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.537 -7.431 -7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.721 -9.247 -8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.743 -7.900 -8.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.068 -8.288 -10.026 1.00 0.00 H new ATOM 244 N VAL A 20 -3.009 -1.971 -5.319 1.00 0.00 N ATOM 245 CA VAL A 20 -3.430 -1.392 -4.048 1.00 0.00 C ATOM 246 C VAL A 20 -4.950 -1.317 -3.955 1.00 0.00 C ATOM 247 O VAL A 20 -5.624 -0.947 -4.916 1.00 0.00 O ATOM 248 CB VAL A 20 -2.845 0.019 -3.852 1.00 0.00 C ATOM 249 CG1 VAL A 20 -3.391 0.652 -2.582 1.00 0.00 C ATOM 250 CG2 VAL A 20 -1.325 -0.036 -3.820 1.00 0.00 C ATOM 0 H VAL A 20 -3.258 -1.416 -6.138 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.052 -2.046 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.146 0.640 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.966 1.648 -2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.476 0.726 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.122 0.036 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.927 0.969 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.001 -0.672 -2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.956 -0.445 -4.760 1.00 0.00 H new ATOM 260 N VAL A 21 -5.485 -1.671 -2.791 1.00 0.00 N ATOM 261 CA VAL A 21 -6.926 -1.643 -2.571 1.00 0.00 C ATOM 262 C VAL A 21 -7.268 -0.941 -1.261 1.00 0.00 C ATOM 263 O VAL A 21 -6.747 -1.293 -0.201 1.00 0.00 O ATOM 264 CB VAL A 21 -7.518 -3.064 -2.549 1.00 0.00 C ATOM 265 CG1 VAL A 21 -8.987 -3.024 -2.156 1.00 0.00 C ATOM 266 CG2 VAL A 21 -7.338 -3.736 -3.902 1.00 0.00 C ATOM 0 H VAL A 21 -4.942 -1.981 -1.985 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.363 -1.089 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.983 -3.651 -1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.389 -4.037 -2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.086 -2.584 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.540 -2.422 -2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.762 -4.740 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.847 -3.152 -4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.276 -3.798 -4.139 1.00 0.00 H new ATOM 276 N LEU A 22 -8.147 0.051 -1.340 1.00 0.00 N ATOM 277 CA LEU A 22 -8.560 0.803 -0.160 1.00 0.00 C ATOM 278 C LEU A 22 -9.609 0.033 0.636 1.00 0.00 C ATOM 279 O LEU A 22 -10.630 -0.388 0.091 1.00 0.00 O ATOM 280 CB LEU A 22 -9.115 2.169 -0.569 1.00 0.00 C ATOM 281 CG LEU A 22 -8.092 3.180 -1.089 1.00 0.00 C ATOM 282 CD1 LEU A 22 -8.789 4.308 -1.833 1.00 0.00 C ATOM 283 CD2 LEU A 22 -7.256 3.730 0.057 1.00 0.00 C ATOM 0 H LEU A 22 -8.588 0.354 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.684 0.948 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.870 2.016 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.622 2.605 0.291 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.426 2.670 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.046 5.018 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.343 3.899 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.478 4.817 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.533 4.448 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.907 4.225 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.728 2.912 0.547 1.00 0.00 H new ATOM 295 N ILE A 23 -9.352 -0.145 1.928 1.00 0.00 N ATOM 296 CA ILE A 23 -10.275 -0.860 2.799 1.00 0.00 C ATOM 297 C ILE A 23 -11.538 -0.043 3.051 1.00 0.00 C ATOM 298 O ILE A 23 -12.653 -0.471 2.754 1.00 0.00 O ATOM 299 CB ILE A 23 -9.622 -1.205 4.150 1.00 0.00 C ATOM 300 CG1 ILE A 23 -8.958 -2.582 4.084 1.00 0.00 C ATOM 301 CG2 ILE A 23 -10.656 -1.163 5.265 1.00 0.00 C ATOM 302 CD1 ILE A 23 -9.897 -3.685 3.648 1.00 0.00 C ATOM 0 H ILE A 23 -8.511 0.197 2.394 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.540 -1.785 2.286 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.854 -0.462 4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.116 -2.538 3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.552 -2.828 5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.179 -1.409 6.213 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.087 -0.163 5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.445 -1.886 5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.359 -4.633 3.624 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.726 -3.756 4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.284 -3.462 2.654 1.00 0.00 H new ATOM 314 N PRO A 24 -11.360 1.162 3.612 1.00 0.00 N ATOM 315 CA PRO A 24 -12.474 2.066 3.914 1.00 0.00 C ATOM 316 C PRO A 24 -13.116 2.638 2.654 1.00 0.00 C ATOM 317 O PRO A 24 -14.326 2.859 2.607 1.00 0.00 O ATOM 318 CB PRO A 24 -11.815 3.180 4.731 1.00 0.00 C ATOM 319 CG PRO A 24 -10.388 3.170 4.303 1.00 0.00 C ATOM 320 CD PRO A 24 -10.059 1.736 3.993 1.00 0.00 C ATOM 0 HA PRO A 24 -13.282 1.555 4.437 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.281 4.145 4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.909 2.995 5.801 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.239 3.803 3.428 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.742 3.557 5.091 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.332 1.656 3.184 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.632 1.226 4.857 1.00 0.00 H new ATOM 328 N VAL A 25 -12.297 2.875 1.634 1.00 0.00 N ATOM 329 CA VAL A 25 -12.785 3.419 0.373 1.00 0.00 C ATOM 330 C VAL A 25 -13.280 2.310 -0.549 1.00 0.00 C ATOM 331 O VAL A 25 -14.418 2.340 -1.017 1.00 0.00 O ATOM 332 CB VAL A 25 -11.690 4.224 -0.352 1.00 0.00 C ATOM 333 CG1 VAL A 25 -12.310 5.186 -1.355 1.00 0.00 C ATOM 334 CG2 VAL A 25 -10.825 4.971 0.652 1.00 0.00 C ATOM 0 H VAL A 25 -11.293 2.699 1.657 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.614 4.084 0.615 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.053 3.528 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.521 5.746 -1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.882 4.624 -2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.971 5.878 -0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.057 5.534 0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.446 5.657 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.352 4.257 1.326 1.00 0.00 H new ATOM 344 N GLY A 26 -12.417 1.332 -0.806 1.00 0.00 N ATOM 345 CA GLY A 26 -12.785 0.226 -1.671 1.00 0.00 C ATOM 346 C GLY A 26 -12.413 0.475 -3.120 1.00 0.00 C ATOM 347 O GLY A 26 -12.827 -0.268 -4.009 1.00 0.00 O ATOM 0 H GLY A 26 -11.470 1.286 -0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.293 -0.682 -1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.859 0.054 -1.599 1.00 0.00 H new ATOM 351 N GLN A 27 -11.631 1.523 -3.357 1.00 0.00 N ATOM 352 CA GLN A 27 -11.205 1.868 -4.708 1.00 0.00 C ATOM 353 C GLN A 27 -9.915 1.141 -5.075 1.00 0.00 C ATOM 354 O GLN A 27 -9.038 0.953 -4.233 1.00 0.00 O ATOM 355 CB GLN A 27 -11.006 3.379 -4.832 1.00 0.00 C ATOM 356 CG GLN A 27 -11.144 3.896 -6.255 1.00 0.00 C ATOM 357 CD GLN A 27 -10.692 5.336 -6.400 1.00 0.00 C ATOM 358 OE1 GLN A 27 -11.509 6.256 -6.421 1.00 0.00 O ATOM 359 NE2 GLN A 27 -9.383 5.538 -6.500 1.00 0.00 N ATOM 0 H GLN A 27 -11.280 2.148 -2.631 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.987 1.554 -5.400 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.733 3.886 -4.198 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.017 3.639 -4.454 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.558 3.266 -6.925 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.185 3.813 -6.568 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.741 4.745 -6.478 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.019 6.486 -6.599 1.00 0.00 H new ATOM 368 N GLU A 28 -9.809 0.735 -6.336 1.00 0.00 N ATOM 369 CA GLU A 28 -8.626 0.028 -6.813 1.00 0.00 C ATOM 370 C GLU A 28 -7.606 1.003 -7.394 1.00 0.00 C ATOM 371 O GLU A 28 -7.965 1.940 -8.109 1.00 0.00 O ATOM 372 CB GLU A 28 -9.015 -1.009 -7.868 1.00 0.00 C ATOM 373 CG GLU A 28 -8.104 -2.224 -7.893 1.00 0.00 C ATOM 374 CD GLU A 28 -8.029 -2.870 -9.263 1.00 0.00 C ATOM 375 OE1 GLU A 28 -9.076 -2.955 -9.937 1.00 0.00 O ATOM 376 OE2 GLU A 28 -6.922 -3.291 -9.660 1.00 0.00 O ATOM 0 H GLU A 28 -10.527 0.883 -7.045 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.172 -0.482 -5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.038 -1.336 -7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.004 -0.537 -8.850 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.103 -1.929 -7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.462 -2.956 -7.169 1.00 0.00 H new ATOM 383 N ILE A 29 -6.335 0.777 -7.082 1.00 0.00 N ATOM 384 CA ILE A 29 -5.263 1.634 -7.574 1.00 0.00 C ATOM 385 C ILE A 29 -4.013 0.823 -7.893 1.00 0.00 C ATOM 386 O ILE A 29 -3.574 -0.003 -7.093 1.00 0.00 O ATOM 387 CB ILE A 29 -4.905 2.729 -6.551 1.00 0.00 C ATOM 388 CG1 ILE A 29 -6.174 3.400 -6.024 1.00 0.00 C ATOM 389 CG2 ILE A 29 -3.976 3.757 -7.180 1.00 0.00 C ATOM 390 CD1 ILE A 29 -5.911 4.421 -4.939 1.00 0.00 C ATOM 0 H ILE A 29 -6.022 0.007 -6.490 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.629 2.105 -8.486 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.387 2.266 -5.711 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.689 3.886 -6.852 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.846 2.634 -5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.732 4.524 -6.445 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.060 3.266 -7.510 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.469 4.218 -8.036 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.855 4.857 -4.613 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.424 3.936 -4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.264 5.207 -5.328 1.00 0.00 H new ATOM 402 N VAL A 30 -3.441 1.065 -9.069 1.00 0.00 N ATOM 403 CA VAL A 30 -2.238 0.359 -9.494 1.00 0.00 C ATOM 404 C VAL A 30 -1.038 1.298 -9.542 1.00 0.00 C ATOM 405 O VAL A 30 -1.102 2.374 -10.137 1.00 0.00 O ATOM 406 CB VAL A 30 -2.426 -0.287 -10.879 1.00 0.00 C ATOM 407 CG1 VAL A 30 -1.101 -0.812 -11.408 1.00 0.00 C ATOM 408 CG2 VAL A 30 -3.462 -1.399 -10.812 1.00 0.00 C ATOM 0 H VAL A 30 -3.792 1.745 -9.744 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.054 -0.424 -8.758 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.789 0.474 -11.570 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.254 -1.265 -12.388 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.392 0.011 -11.496 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.705 -1.560 -10.721 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.582 -1.844 -11.800 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.131 -2.162 -10.108 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.416 -0.988 -10.481 1.00 0.00 H new ATOM 418 N ILE A 31 0.056 0.884 -8.912 1.00 0.00 N ATOM 419 CA ILE A 31 1.272 1.687 -8.884 1.00 0.00 C ATOM 420 C ILE A 31 2.511 0.805 -8.777 1.00 0.00 C ATOM 421 O ILE A 31 2.560 -0.148 -8.000 1.00 0.00 O ATOM 422 CB ILE A 31 1.261 2.683 -7.709 1.00 0.00 C ATOM 423 CG1 ILE A 31 2.364 3.729 -7.889 1.00 0.00 C ATOM 424 CG2 ILE A 31 1.432 1.947 -6.389 1.00 0.00 C ATOM 425 CD1 ILE A 31 2.466 4.704 -6.738 1.00 0.00 C ATOM 0 H ILE A 31 0.125 -0.003 -8.414 1.00 0.00 H new ATOM 0 HA ILE A 31 1.305 2.243 -9.821 1.00 0.00 H new ATOM 0 HB ILE A 31 0.299 3.195 -7.695 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.320 3.220 -8.009 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.181 4.284 -8.809 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.422 2.664 -5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.615 1.237 -6.260 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.381 1.411 -6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.268 5.416 -6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.523 5.240 -6.631 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.680 4.160 -5.818 1.00 0.00 H new ATOM 437 N PRO A 32 3.539 1.131 -9.575 1.00 0.00 N ATOM 438 CA PRO A 32 4.800 0.382 -9.587 1.00 0.00 C ATOM 439 C PRO A 32 5.603 0.579 -8.306 1.00 0.00 C ATOM 440 O PRO A 32 5.493 1.613 -7.645 1.00 0.00 O ATOM 441 CB PRO A 32 5.550 0.969 -10.785 1.00 0.00 C ATOM 442 CG PRO A 32 4.992 2.341 -10.945 1.00 0.00 C ATOM 443 CD PRO A 32 3.551 2.255 -10.526 1.00 0.00 C ATOM 0 HA PRO A 32 4.635 -0.693 -9.656 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.625 0.997 -10.604 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.393 0.371 -11.682 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.535 3.057 -10.329 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.078 2.679 -11.978 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.212 3.180 -10.059 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.896 2.069 -11.377 1.00 0.00 H new ATOM 451 N PHE A 33 6.412 -0.417 -7.961 1.00 0.00 N ATOM 452 CA PHE A 33 7.234 -0.352 -6.758 1.00 0.00 C ATOM 453 C PHE A 33 8.424 -1.303 -6.861 1.00 0.00 C ATOM 454 O PHE A 33 8.361 -2.322 -7.549 1.00 0.00 O ATOM 455 CB PHE A 33 6.398 -0.695 -5.524 1.00 0.00 C ATOM 456 CG PHE A 33 6.930 -0.096 -4.254 1.00 0.00 C ATOM 457 CD1 PHE A 33 7.284 1.243 -4.199 1.00 0.00 C ATOM 458 CD2 PHE A 33 7.077 -0.871 -3.114 1.00 0.00 C ATOM 459 CE1 PHE A 33 7.773 1.798 -3.031 1.00 0.00 C ATOM 460 CE2 PHE A 33 7.566 -0.321 -1.944 1.00 0.00 C ATOM 461 CZ PHE A 33 7.915 1.014 -1.903 1.00 0.00 C ATOM 0 H PHE A 33 6.516 -1.279 -8.497 1.00 0.00 H new ATOM 0 HA PHE A 33 7.612 0.666 -6.660 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.376 -0.349 -5.680 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.354 -1.779 -5.415 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.177 1.860 -5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.806 -1.916 -3.140 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.044 2.843 -3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.675 -0.935 -1.062 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.299 1.445 -0.990 1.00 0.00 H new ATOM 471 N LYS A 34 9.507 -0.962 -6.172 1.00 0.00 N ATOM 472 CA LYS A 34 10.712 -1.784 -6.183 1.00 0.00 C ATOM 473 C LYS A 34 10.661 -2.840 -5.084 1.00 0.00 C ATOM 474 O LYS A 34 10.493 -2.518 -3.907 1.00 0.00 O ATOM 475 CB LYS A 34 11.953 -0.907 -6.005 1.00 0.00 C ATOM 476 CG LYS A 34 12.533 -0.401 -7.315 1.00 0.00 C ATOM 477 CD LYS A 34 11.647 0.663 -7.942 1.00 0.00 C ATOM 478 CE LYS A 34 12.015 2.055 -7.453 1.00 0.00 C ATOM 479 NZ LYS A 34 13.361 2.474 -7.933 1.00 0.00 N ATOM 0 H LYS A 34 9.576 -0.121 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 34 10.767 -2.291 -7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.698 -0.054 -5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.717 -1.476 -5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.527 0.009 -7.139 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.650 -1.234 -8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.739 0.621 -9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.604 0.456 -7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.268 2.770 -7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.996 2.074 -6.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.423 3.512 -7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.091 2.081 -7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.510 2.122 -8.900 1.00 0.00 H new ATOM 493 N VAL A 35 10.807 -4.102 -5.474 1.00 0.00 N ATOM 494 CA VAL A 35 10.780 -5.205 -4.521 1.00 0.00 C ATOM 495 C VAL A 35 11.963 -5.132 -3.563 1.00 0.00 C ATOM 496 O VAL A 35 11.955 -5.759 -2.503 1.00 0.00 O ATOM 497 CB VAL A 35 10.798 -6.568 -5.240 1.00 0.00 C ATOM 498 CG1 VAL A 35 9.568 -6.723 -6.122 1.00 0.00 C ATOM 499 CG2 VAL A 35 12.072 -6.722 -6.056 1.00 0.00 C ATOM 0 H VAL A 35 10.945 -4.386 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 35 9.853 -5.113 -3.956 1.00 0.00 H new ATOM 0 HB VAL A 35 10.778 -7.357 -4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.598 -7.691 -6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.670 -6.659 -5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.554 -5.930 -6.869 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.068 -7.690 -6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.125 -5.928 -6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.937 -6.659 -5.396 1.00 0.00 H new ATOM 509 N ASP A 36 12.977 -4.364 -3.942 1.00 0.00 N ATOM 510 CA ASP A 36 14.168 -4.207 -3.115 1.00 0.00 C ATOM 511 C ASP A 36 14.058 -2.967 -2.233 1.00 0.00 C ATOM 512 O ASP A 36 14.843 -2.782 -1.301 1.00 0.00 O ATOM 513 CB ASP A 36 15.417 -4.114 -3.993 1.00 0.00 C ATOM 514 CG ASP A 36 16.529 -3.319 -3.337 1.00 0.00 C ATOM 515 OD1 ASP A 36 16.409 -2.078 -3.266 1.00 0.00 O ATOM 516 OD2 ASP A 36 17.518 -3.938 -2.893 1.00 0.00 O ATOM 0 H ASP A 36 12.999 -3.840 -4.817 1.00 0.00 H new ATOM 0 HA ASP A 36 14.250 -5.083 -2.471 1.00 0.00 H new ATOM 0 HB2 ASP A 36 15.776 -5.119 -4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 36 15.155 -3.650 -4.944 1.00 0.00 H new ATOM 521 N THR A 37 13.080 -2.119 -2.533 1.00 0.00 N ATOM 522 CA THR A 37 12.868 -0.895 -1.769 1.00 0.00 C ATOM 523 C THR A 37 11.830 -1.104 -0.673 1.00 0.00 C ATOM 524 O THR A 37 10.741 -1.620 -0.926 1.00 0.00 O ATOM 525 CB THR A 37 12.413 0.262 -2.678 1.00 0.00 C ATOM 526 OG1 THR A 37 13.395 0.505 -3.691 1.00 0.00 O ATOM 527 CG2 THR A 37 12.189 1.530 -1.867 1.00 0.00 C ATOM 0 H THR A 37 12.422 -2.257 -3.300 1.00 0.00 H new ATOM 0 HA THR A 37 13.824 -0.636 -1.315 1.00 0.00 H new ATOM 0 HB THR A 37 11.471 -0.022 -3.147 1.00 0.00 H new ATOM 0 HG1 THR A 37 13.097 1.241 -4.266 1.00 0.00 H new ATOM 0 HG21 THR A 37 11.868 2.334 -2.530 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.420 1.350 -1.116 1.00 0.00 H new ATOM 0 HG23 THR A 37 13.118 1.815 -1.374 1.00 0.00 H new ATOM 535 N ILE A 38 12.174 -0.700 0.546 1.00 0.00 N ATOM 536 CA ILE A 38 11.270 -0.842 1.680 1.00 0.00 C ATOM 537 C ILE A 38 9.873 -0.336 1.336 1.00 0.00 C ATOM 538 O ILE A 38 9.680 0.360 0.339 1.00 0.00 O ATOM 539 CB ILE A 38 11.790 -0.080 2.913 1.00 0.00 C ATOM 540 CG1 ILE A 38 12.069 1.382 2.557 1.00 0.00 C ATOM 541 CG2 ILE A 38 13.045 -0.746 3.457 1.00 0.00 C ATOM 542 CD1 ILE A 38 12.567 2.205 3.724 1.00 0.00 C ATOM 0 H ILE A 38 13.072 -0.272 0.773 1.00 0.00 H new ATOM 0 HA ILE A 38 11.222 -1.906 1.914 1.00 0.00 H new ATOM 0 HB ILE A 38 11.023 -0.106 3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.808 1.418 1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.156 1.833 2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.400 -0.196 4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.817 -1.772 3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.818 -0.748 2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.743 3.230 3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.820 2.201 4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.497 1.779 4.099 1.00 0.00 H new ATOM 554 N LEU A 39 8.900 -0.690 2.170 1.00 0.00 N ATOM 555 CA LEU A 39 7.519 -0.271 1.956 1.00 0.00 C ATOM 556 C LEU A 39 7.328 1.192 2.344 1.00 0.00 C ATOM 557 O LEU A 39 6.518 1.903 1.749 1.00 0.00 O ATOM 558 CB LEU A 39 6.567 -1.154 2.764 1.00 0.00 C ATOM 559 CG LEU A 39 6.587 -2.645 2.428 1.00 0.00 C ATOM 560 CD1 LEU A 39 6.217 -3.472 3.650 1.00 0.00 C ATOM 561 CD2 LEU A 39 5.642 -2.945 1.273 1.00 0.00 C ATOM 0 H LEU A 39 9.042 -1.266 3.000 1.00 0.00 H new ATOM 0 HA LEU A 39 7.292 -0.379 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.804 -1.037 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.552 -0.784 2.622 1.00 0.00 H new ATOM 0 HG LEU A 39 7.598 -2.916 2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.236 -4.531 3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.933 -3.280 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.217 -3.198 3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.670 -4.011 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.627 -2.659 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.952 -2.380 0.394 1.00 0.00 H new ATOM 573 N LYS A 40 8.081 1.636 3.345 1.00 0.00 N ATOM 574 CA LYS A 40 7.997 3.015 3.811 1.00 0.00 C ATOM 575 C LYS A 40 7.837 3.978 2.639 1.00 0.00 C ATOM 576 O LYS A 40 6.852 4.712 2.556 1.00 0.00 O ATOM 577 CB LYS A 40 9.247 3.379 4.616 1.00 0.00 C ATOM 578 CG LYS A 40 9.004 4.448 5.667 1.00 0.00 C ATOM 579 CD LYS A 40 9.080 5.844 5.071 1.00 0.00 C ATOM 580 CE LYS A 40 9.177 6.908 6.153 1.00 0.00 C ATOM 581 NZ LYS A 40 10.454 6.811 6.913 1.00 0.00 N ATOM 0 H LYS A 40 8.756 1.061 3.849 1.00 0.00 H new ATOM 0 HA LYS A 40 7.120 3.102 4.452 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.629 2.482 5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.022 3.724 3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.024 4.298 6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.742 4.351 6.463 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.946 5.913 4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.198 6.027 4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.099 7.896 5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.337 6.805 6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.653 7.721 7.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.373 6.066 7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.230 6.578 6.260 1.00 0.00 H new ATOM 595 N TYR A 41 8.809 3.968 1.734 1.00 0.00 N ATOM 596 CA TYR A 41 8.776 4.841 0.566 1.00 0.00 C ATOM 597 C TYR A 41 7.349 5.011 0.054 1.00 0.00 C ATOM 598 O TYR A 41 6.799 6.114 0.068 1.00 0.00 O ATOM 599 CB TYR A 41 9.664 4.277 -0.544 1.00 0.00 C ATOM 600 CG TYR A 41 11.094 4.765 -0.483 1.00 0.00 C ATOM 601 CD1 TYR A 41 11.986 4.248 0.448 1.00 0.00 C ATOM 602 CD2 TYR A 41 11.552 5.743 -1.357 1.00 0.00 C ATOM 603 CE1 TYR A 41 13.293 4.692 0.508 1.00 0.00 C ATOM 604 CE2 TYR A 41 12.857 6.192 -1.305 1.00 0.00 C ATOM 605 CZ TYR A 41 13.724 5.664 -0.371 1.00 0.00 C ATOM 606 OH TYR A 41 15.025 6.108 -0.316 1.00 0.00 O ATOM 0 H TYR A 41 9.630 3.365 1.786 1.00 0.00 H new ATOM 0 HA TYR A 41 9.155 5.819 0.864 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.658 3.189 -0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.238 4.546 -1.511 1.00 0.00 H new ATOM 0 HD1 TYR A 41 11.652 3.486 1.137 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.876 6.159 -2.089 1.00 0.00 H new ATOM 0 HE1 TYR A 41 13.973 4.280 1.239 1.00 0.00 H new ATOM 0 HE2 TYR A 41 13.197 6.953 -1.992 1.00 0.00 H new ATOM 0 HH TYR A 41 15.167 6.792 -1.003 1.00 0.00 H new ATOM 616 N LEU A 42 6.754 3.912 -0.396 1.00 0.00 N ATOM 617 CA LEU A 42 5.390 3.938 -0.913 1.00 0.00 C ATOM 618 C LEU A 42 4.429 4.527 0.115 1.00 0.00 C ATOM 619 O LEU A 42 3.560 5.332 -0.221 1.00 0.00 O ATOM 620 CB LEU A 42 4.942 2.526 -1.295 1.00 0.00 C ATOM 621 CG LEU A 42 3.709 2.433 -2.194 1.00 0.00 C ATOM 622 CD1 LEU A 42 3.995 3.041 -3.558 1.00 0.00 C ATOM 623 CD2 LEU A 42 3.260 0.986 -2.336 1.00 0.00 C ATOM 0 H LEU A 42 7.194 2.992 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 42 5.376 4.570 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.771 2.027 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.742 1.970 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 42 2.901 2.999 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.106 2.965 -4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.267 4.090 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.818 2.504 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.381 0.939 -2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.064 0.397 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.012 0.584 -1.354 1.00 0.00 H new ATOM 635 N LYS A 43 4.593 4.123 1.370 1.00 0.00 N ATOM 636 CA LYS A 43 3.744 4.613 2.449 1.00 0.00 C ATOM 637 C LYS A 43 3.582 6.128 2.369 1.00 0.00 C ATOM 638 O LYS A 43 2.473 6.635 2.202 1.00 0.00 O ATOM 639 CB LYS A 43 4.333 4.224 3.807 1.00 0.00 C ATOM 640 CG LYS A 43 3.288 4.037 4.893 1.00 0.00 C ATOM 641 CD LYS A 43 3.822 3.200 6.043 1.00 0.00 C ATOM 642 CE LYS A 43 3.650 1.712 5.776 1.00 0.00 C ATOM 643 NZ LYS A 43 4.829 1.135 5.073 1.00 0.00 N ATOM 0 H LYS A 43 5.307 3.457 1.665 1.00 0.00 H new ATOM 0 HA LYS A 43 2.761 4.154 2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.899 3.299 3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.038 4.994 4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.972 5.011 5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.406 3.556 4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.878 3.423 6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.301 3.468 6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.498 1.189 6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.755 1.552 5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.949 0.141 5.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.681 1.188 4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.682 1.672 5.328 1.00 0.00 H new ATOM 657 N ASP A 44 4.694 6.844 2.488 1.00 0.00 N ATOM 658 CA ASP A 44 4.676 8.301 2.427 1.00 0.00 C ATOM 659 C ASP A 44 3.830 8.785 1.253 1.00 0.00 C ATOM 660 O ASP A 44 3.032 9.713 1.390 1.00 0.00 O ATOM 661 CB ASP A 44 6.100 8.846 2.304 1.00 0.00 C ATOM 662 CG ASP A 44 7.096 8.055 3.129 1.00 0.00 C ATOM 663 OD1 ASP A 44 6.884 7.928 4.353 1.00 0.00 O ATOM 664 OD2 ASP A 44 8.086 7.562 2.550 1.00 0.00 O ATOM 0 H ASP A 44 5.620 6.439 2.627 1.00 0.00 H new ATOM 0 HA ASP A 44 4.232 8.673 3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.404 8.828 1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.116 9.888 2.622 1.00 0.00 H new ATOM 669 N HIS A 45 4.010 8.150 0.099 1.00 0.00 N ATOM 670 CA HIS A 45 3.264 8.516 -1.099 1.00 0.00 C ATOM 671 C HIS A 45 1.802 8.797 -0.764 1.00 0.00 C ATOM 672 O HIS A 45 1.310 9.907 -0.969 1.00 0.00 O ATOM 673 CB HIS A 45 3.355 7.402 -2.143 1.00 0.00 C ATOM 674 CG HIS A 45 3.096 7.869 -3.542 1.00 0.00 C ATOM 675 ND1 HIS A 45 4.057 7.857 -4.530 1.00 0.00 N ATOM 676 CD2 HIS A 45 1.974 8.363 -4.117 1.00 0.00 C ATOM 677 CE1 HIS A 45 3.539 8.324 -5.652 1.00 0.00 C ATOM 678 NE2 HIS A 45 2.276 8.638 -5.428 1.00 0.00 N ATOM 0 H HIS A 45 4.666 7.380 -0.031 1.00 0.00 H new ATOM 0 HA HIS A 45 3.706 9.424 -1.509 1.00 0.00 H new ATOM 0 HB2 HIS A 45 4.347 6.952 -2.097 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.638 6.620 -1.891 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.019 8.513 -3.634 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.060 8.431 -6.592 1.00 0.00 H new ATOM 0 HE2 HIS A 45 1.630 9.022 -6.117 1.00 0.00 H new ATOM 687 N PHE A 46 1.113 7.784 -0.249 1.00 0.00 N ATOM 688 CA PHE A 46 -0.293 7.922 0.113 1.00 0.00 C ATOM 689 C PHE A 46 -0.455 8.828 1.331 1.00 0.00 C ATOM 690 O PHE A 46 -1.193 9.812 1.291 1.00 0.00 O ATOM 691 CB PHE A 46 -0.904 6.549 0.400 1.00 0.00 C ATOM 692 CG PHE A 46 -1.210 5.758 -0.840 1.00 0.00 C ATOM 693 CD1 PHE A 46 -2.371 5.994 -1.559 1.00 0.00 C ATOM 694 CD2 PHE A 46 -0.337 4.779 -1.286 1.00 0.00 C ATOM 695 CE1 PHE A 46 -2.655 5.267 -2.700 1.00 0.00 C ATOM 696 CE2 PHE A 46 -0.616 4.050 -2.426 1.00 0.00 C ATOM 697 CZ PHE A 46 -1.776 4.295 -3.135 1.00 0.00 C ATOM 0 H PHE A 46 1.505 6.859 -0.073 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.816 8.377 -0.728 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.217 5.978 1.025 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.822 6.681 0.973 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.061 6.754 -1.224 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.572 4.583 -0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.564 5.459 -3.251 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.072 3.289 -2.763 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.995 3.728 -4.027 1.00 0.00 H new ATOM 707 N SER A 47 0.239 8.487 2.411 1.00 0.00 N ATOM 708 CA SER A 47 0.170 9.266 3.642 1.00 0.00 C ATOM 709 C SER A 47 0.274 10.759 3.346 1.00 0.00 C ATOM 710 O SER A 47 -0.686 11.508 3.528 1.00 0.00 O ATOM 711 CB SER A 47 1.285 8.845 4.601 1.00 0.00 C ATOM 712 OG SER A 47 1.591 7.469 4.454 1.00 0.00 O ATOM 0 H SER A 47 0.856 7.676 2.459 1.00 0.00 H new ATOM 0 HA SER A 47 -0.794 9.073 4.112 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.177 9.442 4.411 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.981 9.045 5.628 1.00 0.00 H new ATOM 0 HG SER A 47 2.244 7.354 3.732 1.00 0.00 H new ATOM 718 N HIS A 48 1.447 11.185 2.890 1.00 0.00 N ATOM 719 CA HIS A 48 1.679 12.588 2.568 1.00 0.00 C ATOM 720 C HIS A 48 0.522 13.156 1.751 1.00 0.00 C ATOM 721 O HIS A 48 -0.079 14.165 2.124 1.00 0.00 O ATOM 722 CB HIS A 48 2.990 12.747 1.797 1.00 0.00 C ATOM 723 CG HIS A 48 2.825 12.660 0.311 1.00 0.00 C ATOM 724 ND1 HIS A 48 3.249 11.577 -0.431 1.00 0.00 N ATOM 725 CD2 HIS A 48 2.277 13.528 -0.572 1.00 0.00 C ATOM 726 CE1 HIS A 48 2.970 11.784 -1.705 1.00 0.00 C ATOM 727 NE2 HIS A 48 2.380 12.960 -1.818 1.00 0.00 N ATOM 0 H HIS A 48 2.252 10.578 2.735 1.00 0.00 H new ATOM 0 HA HIS A 48 1.748 13.143 3.503 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.436 13.709 2.049 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.689 11.977 2.122 1.00 0.00 H new ATOM 0 HD1 HIS A 48 3.706 10.747 -0.055 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.840 14.488 -0.340 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.188 11.106 -2.517 1.00 0.00 H new ATOM 736 N LEU A 49 0.216 12.503 0.635 1.00 0.00 N ATOM 737 CA LEU A 49 -0.868 12.943 -0.236 1.00 0.00 C ATOM 738 C LEU A 49 -2.140 13.201 0.566 1.00 0.00 C ATOM 739 O LEU A 49 -2.642 14.325 0.611 1.00 0.00 O ATOM 740 CB LEU A 49 -1.137 11.896 -1.318 1.00 0.00 C ATOM 741 CG LEU A 49 -2.049 12.334 -2.464 1.00 0.00 C ATOM 742 CD1 LEU A 49 -3.455 12.609 -1.953 1.00 0.00 C ATOM 743 CD2 LEU A 49 -1.482 13.564 -3.157 1.00 0.00 C ATOM 0 H LEU A 49 0.703 11.667 0.312 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.564 13.876 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.181 11.585 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.578 11.019 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.101 11.523 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.090 12.920 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.862 11.703 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.422 13.402 -1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.144 13.861 -3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.399 14.380 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.496 13.333 -3.559 1.00 0.00 H new ATOM 755 N LEU A 50 -2.656 12.153 1.199 1.00 0.00 N ATOM 756 CA LEU A 50 -3.869 12.266 2.002 1.00 0.00 C ATOM 757 C LEU A 50 -3.694 13.299 3.110 1.00 0.00 C ATOM 758 O LEU A 50 -4.666 13.886 3.584 1.00 0.00 O ATOM 759 CB LEU A 50 -4.232 10.908 2.606 1.00 0.00 C ATOM 760 CG LEU A 50 -4.369 9.749 1.619 1.00 0.00 C ATOM 761 CD1 LEU A 50 -4.200 8.417 2.333 1.00 0.00 C ATOM 762 CD2 LEU A 50 -5.715 9.809 0.910 1.00 0.00 C ATOM 0 H LEU A 50 -2.254 11.216 1.172 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.678 12.594 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.471 10.645 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.173 11.013 3.145 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.582 9.839 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.301 7.604 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.213 8.374 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.965 8.317 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.795 8.976 0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.517 9.744 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.798 10.749 0.365 1.00 0.00 H new ATOM 774 N GLY A 51 -2.448 13.517 3.518 1.00 0.00 N ATOM 775 CA GLY A 51 -2.168 14.481 4.566 1.00 0.00 C ATOM 776 C GLY A 51 -1.984 13.827 5.921 1.00 0.00 C ATOM 777 O GLY A 51 -1.507 14.460 6.863 1.00 0.00 O ATOM 0 H GLY A 51 -1.627 13.043 3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.268 15.040 4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.985 15.201 4.621 1.00 0.00 H new ATOM 781 N ILE A 52 -2.365 12.558 6.020 1.00 0.00 N ATOM 782 CA ILE A 52 -2.241 11.819 7.270 1.00 0.00 C ATOM 783 C ILE A 52 -0.869 11.164 7.387 1.00 0.00 C ATOM 784 O ILE A 52 -0.256 10.767 6.395 1.00 0.00 O ATOM 785 CB ILE A 52 -3.327 10.735 7.394 1.00 0.00 C ATOM 786 CG1 ILE A 52 -3.115 9.647 6.339 1.00 0.00 C ATOM 787 CG2 ILE A 52 -4.711 11.353 7.255 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.229 8.624 6.294 1.00 0.00 C ATOM 0 H ILE A 52 -2.762 12.020 5.250 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.367 12.541 8.077 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.252 10.278 8.381 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.023 10.115 5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.172 9.137 6.539 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.468 10.574 7.345 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.859 12.095 8.040 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.799 11.833 6.281 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.012 7.884 5.524 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.307 8.129 7.262 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.171 9.122 6.064 1.00 0.00 H new ATOM 800 N PRO A 53 -0.373 11.045 8.628 1.00 0.00 N ATOM 801 CA PRO A 53 0.931 10.436 8.904 1.00 0.00 C ATOM 802 C PRO A 53 0.933 8.932 8.654 1.00 0.00 C ATOM 803 O PRO A 53 -0.112 8.282 8.711 1.00 0.00 O ATOM 804 CB PRO A 53 1.153 10.731 10.390 1.00 0.00 C ATOM 805 CG PRO A 53 -0.217 10.890 10.953 1.00 0.00 C ATOM 806 CD PRO A 53 -1.048 11.496 9.856 1.00 0.00 C ATOM 0 HA PRO A 53 1.712 10.833 8.255 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.690 9.918 10.879 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.746 11.635 10.530 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.624 9.929 11.265 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.205 11.532 11.834 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.081 11.150 9.897 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.073 12.584 9.925 1.00 0.00 H new ATOM 814 N HIS A 54 2.112 8.384 8.378 1.00 0.00 N ATOM 815 CA HIS A 54 2.249 6.954 8.121 1.00 0.00 C ATOM 816 C HIS A 54 2.072 6.151 9.406 1.00 0.00 C ATOM 817 O HIS A 54 2.059 4.921 9.383 1.00 0.00 O ATOM 818 CB HIS A 54 3.615 6.655 7.502 1.00 0.00 C ATOM 819 CG HIS A 54 4.737 7.427 8.126 1.00 0.00 C ATOM 820 ND1 HIS A 54 4.881 7.576 9.490 1.00 0.00 N ATOM 821 CD2 HIS A 54 5.773 8.092 7.565 1.00 0.00 C ATOM 822 CE1 HIS A 54 5.956 8.302 9.740 1.00 0.00 C ATOM 823 NE2 HIS A 54 6.516 8.628 8.589 1.00 0.00 N ATOM 0 H HIS A 54 2.986 8.908 8.326 1.00 0.00 H new ATOM 0 HA HIS A 54 1.468 6.659 7.420 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.822 5.589 7.596 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.579 6.880 6.436 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.978 8.184 6.509 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.316 8.581 10.719 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.362 9.187 8.478 1.00 0.00 H new ATOM 832 N SER A 55 1.938 6.856 10.525 1.00 0.00 N ATOM 833 CA SER A 55 1.767 6.209 11.820 1.00 0.00 C ATOM 834 C SER A 55 0.414 5.507 11.902 1.00 0.00 C ATOM 835 O SER A 55 0.342 4.295 12.108 1.00 0.00 O ATOM 836 CB SER A 55 1.890 7.235 12.947 1.00 0.00 C ATOM 837 OG SER A 55 1.274 8.461 12.591 1.00 0.00 O ATOM 0 H SER A 55 1.945 7.875 10.560 1.00 0.00 H new ATOM 0 HA SER A 55 2.553 5.462 11.931 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.428 6.842 13.853 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.942 7.406 13.174 1.00 0.00 H new ATOM 0 HG SER A 55 1.365 9.099 13.329 1.00 0.00 H new ATOM 843 N VAL A 56 -0.656 6.278 11.739 1.00 0.00 N ATOM 844 CA VAL A 56 -2.007 5.731 11.793 1.00 0.00 C ATOM 845 C VAL A 56 -2.278 4.817 10.603 1.00 0.00 C ATOM 846 O VAL A 56 -3.078 3.885 10.693 1.00 0.00 O ATOM 847 CB VAL A 56 -3.065 6.851 11.818 1.00 0.00 C ATOM 848 CG1 VAL A 56 -3.135 7.488 13.197 1.00 0.00 C ATOM 849 CG2 VAL A 56 -2.760 7.895 10.754 1.00 0.00 C ATOM 0 H VAL A 56 -0.614 7.283 11.569 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.078 5.153 12.714 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.038 6.413 11.597 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.887 8.277 13.196 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.404 6.731 13.934 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.164 7.913 13.451 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.517 8.679 10.786 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.779 8.331 10.942 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.765 7.425 9.771 1.00 0.00 H new ATOM 859 N LEU A 57 -1.607 5.090 9.490 1.00 0.00 N ATOM 860 CA LEU A 57 -1.775 4.292 8.280 1.00 0.00 C ATOM 861 C LEU A 57 -0.926 3.026 8.342 1.00 0.00 C ATOM 862 O LEU A 57 0.183 3.037 8.875 1.00 0.00 O ATOM 863 CB LEU A 57 -1.398 5.114 7.047 1.00 0.00 C ATOM 864 CG LEU A 57 -0.925 4.318 5.829 1.00 0.00 C ATOM 865 CD1 LEU A 57 -2.086 3.566 5.199 1.00 0.00 C ATOM 866 CD2 LEU A 57 -0.270 5.241 4.812 1.00 0.00 C ATOM 0 H LEU A 57 -0.941 5.858 9.400 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.823 4.001 8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.263 5.709 6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.610 5.813 7.328 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.185 3.590 6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.730 3.006 4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.511 2.876 5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.850 4.276 4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.061 4.659 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.989 5.993 4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.589 5.734 5.268 1.00 0.00 H new ATOM 878 N GLN A 58 -1.454 1.938 7.791 1.00 0.00 N ATOM 879 CA GLN A 58 -0.744 0.665 7.781 1.00 0.00 C ATOM 880 C GLN A 58 -1.034 -0.111 6.501 1.00 0.00 C ATOM 881 O GLN A 58 -1.847 0.311 5.679 1.00 0.00 O ATOM 882 CB GLN A 58 -1.138 -0.172 9.000 1.00 0.00 C ATOM 883 CG GLN A 58 -1.041 0.585 10.315 1.00 0.00 C ATOM 884 CD GLN A 58 -0.854 -0.335 11.505 1.00 0.00 C ATOM 885 OE1 GLN A 58 -1.806 -0.640 12.224 1.00 0.00 O ATOM 886 NE2 GLN A 58 0.378 -0.782 11.720 1.00 0.00 N ATOM 0 H GLN A 58 -2.371 1.913 7.346 1.00 0.00 H new ATOM 0 HA GLN A 58 0.325 0.874 7.822 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.160 -0.529 8.870 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.497 -1.052 9.049 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.206 1.284 10.267 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.945 1.177 10.457 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.137 -0.503 11.098 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.565 -1.404 12.507 1.00 0.00 H new ATOM 895 N ILE A 59 -0.365 -1.248 6.340 1.00 0.00 N ATOM 896 CA ILE A 59 -0.552 -2.083 5.160 1.00 0.00 C ATOM 897 C ILE A 59 -0.706 -3.551 5.544 1.00 0.00 C ATOM 898 O ILE A 59 0.082 -4.084 6.325 1.00 0.00 O ATOM 899 CB ILE A 59 0.625 -1.942 4.177 1.00 0.00 C ATOM 900 CG1 ILE A 59 0.868 -0.468 3.846 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.356 -2.738 2.909 1.00 0.00 C ATOM 902 CD1 ILE A 59 2.057 -0.240 2.939 1.00 0.00 C ATOM 0 H ILE A 59 0.311 -1.612 7.012 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.464 -1.739 4.672 1.00 0.00 H new ATOM 0 HB ILE A 59 1.522 -2.342 4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.024 -0.059 3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.018 0.084 4.774 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.197 -2.628 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.228 -3.791 3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.551 -2.367 2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.169 0.827 2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.959 -0.619 3.420 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.901 -0.764 1.996 1.00 0.00 H new ATOM 914 N ARG A 60 -1.724 -4.198 4.989 1.00 0.00 N ATOM 915 CA ARG A 60 -1.981 -5.605 5.272 1.00 0.00 C ATOM 916 C ARG A 60 -1.761 -6.460 4.028 1.00 0.00 C ATOM 917 O ARG A 60 -2.348 -6.205 2.976 1.00 0.00 O ATOM 918 CB ARG A 60 -3.410 -5.791 5.786 1.00 0.00 C ATOM 919 CG ARG A 60 -3.835 -7.247 5.892 1.00 0.00 C ATOM 920 CD ARG A 60 -5.118 -7.396 6.694 1.00 0.00 C ATOM 921 NE ARG A 60 -6.182 -6.533 6.189 1.00 0.00 N ATOM 922 CZ ARG A 60 -7.324 -6.320 6.833 1.00 0.00 C ATOM 923 NH1 ARG A 60 -7.548 -6.904 8.002 1.00 0.00 N ATOM 924 NH2 ARG A 60 -8.244 -5.521 6.309 1.00 0.00 N ATOM 0 H ARG A 60 -2.385 -3.771 4.340 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.280 -5.928 6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.498 -5.323 6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.097 -5.268 5.121 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.979 -7.659 4.893 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.041 -7.826 6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.447 -8.435 6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.922 -7.156 7.739 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.041 -6.068 5.292 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.843 -7.518 8.409 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.426 -6.739 8.495 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.075 -5.069 5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.120 -5.358 6.805 1.00 0.00 H new ATOM 938 N TYR A 61 -0.913 -7.474 4.155 1.00 0.00 N ATOM 939 CA TYR A 61 -0.613 -8.364 3.040 1.00 0.00 C ATOM 940 C TYR A 61 -0.495 -9.810 3.513 1.00 0.00 C ATOM 941 O TYR A 61 0.212 -10.103 4.477 1.00 0.00 O ATOM 942 CB TYR A 61 0.683 -7.934 2.351 1.00 0.00 C ATOM 943 CG TYR A 61 1.164 -8.911 1.301 1.00 0.00 C ATOM 944 CD1 TYR A 61 0.597 -8.933 0.033 1.00 0.00 C ATOM 945 CD2 TYR A 61 2.185 -9.811 1.578 1.00 0.00 C ATOM 946 CE1 TYR A 61 1.032 -9.824 -0.929 1.00 0.00 C ATOM 947 CE2 TYR A 61 2.628 -10.705 0.621 1.00 0.00 C ATOM 948 CZ TYR A 61 2.048 -10.708 -0.630 1.00 0.00 C ATOM 949 OH TYR A 61 2.485 -11.596 -1.586 1.00 0.00 O ATOM 0 H TYR A 61 -0.421 -7.700 5.019 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.435 -8.300 2.327 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.532 -6.960 1.886 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.461 -7.811 3.104 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.198 -8.241 -0.205 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.640 -9.812 2.557 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.579 -9.828 -1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.424 -11.397 0.852 1.00 0.00 H new ATOM 0 HH TYR A 61 3.206 -12.147 -1.215 1.00 0.00 H new ATOM 959 N SER A 62 -1.193 -10.709 2.827 1.00 0.00 N ATOM 960 CA SER A 62 -1.171 -12.124 3.178 1.00 0.00 C ATOM 961 C SER A 62 -1.757 -12.348 4.569 1.00 0.00 C ATOM 962 O SER A 62 -1.413 -13.312 5.252 1.00 0.00 O ATOM 963 CB SER A 62 0.260 -12.662 3.123 1.00 0.00 C ATOM 964 OG SER A 62 0.273 -14.047 2.823 1.00 0.00 O ATOM 0 H SER A 62 -1.781 -10.483 2.025 1.00 0.00 H new ATOM 0 HA SER A 62 -1.783 -12.662 2.454 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.828 -12.118 2.368 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.754 -12.489 4.079 1.00 0.00 H new ATOM 0 HG SER A 62 1.199 -14.366 2.792 1.00 0.00 H new ATOM 970 N GLY A 63 -2.645 -11.449 4.982 1.00 0.00 N ATOM 971 CA GLY A 63 -3.266 -11.565 6.289 1.00 0.00 C ATOM 972 C GLY A 63 -2.364 -11.075 7.404 1.00 0.00 C ATOM 973 O GLY A 63 -2.750 -11.081 8.573 1.00 0.00 O ATOM 0 H GLY A 63 -2.946 -10.642 4.435 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.194 -10.994 6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.531 -12.607 6.471 1.00 0.00 H new ATOM 977 N LYS A 64 -1.158 -10.649 7.044 1.00 0.00 N ATOM 978 CA LYS A 64 -0.198 -10.153 8.022 1.00 0.00 C ATOM 979 C LYS A 64 0.150 -8.693 7.752 1.00 0.00 C ATOM 980 O LYS A 64 0.190 -8.258 6.600 1.00 0.00 O ATOM 981 CB LYS A 64 1.074 -11.004 7.996 1.00 0.00 C ATOM 982 CG LYS A 64 2.128 -10.493 7.030 1.00 0.00 C ATOM 983 CD LYS A 64 3.387 -11.342 7.077 1.00 0.00 C ATOM 984 CE LYS A 64 3.303 -12.518 6.115 1.00 0.00 C ATOM 985 NZ LYS A 64 2.655 -13.703 6.743 1.00 0.00 N ATOM 0 H LYS A 64 -0.822 -10.637 6.081 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.655 -10.223 9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.499 -11.038 8.999 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.811 -12.027 7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.725 -10.494 6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.376 -9.460 7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.251 -10.727 6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.541 -11.711 8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.740 -12.223 5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.305 -12.786 5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.306 -14.513 6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.422 -13.487 7.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.784 -13.937 6.225 1.00 0.00 H new ATOM 999 N ILE A 65 0.401 -7.941 8.818 1.00 0.00 N ATOM 1000 CA ILE A 65 0.747 -6.531 8.695 1.00 0.00 C ATOM 1001 C ILE A 65 2.213 -6.356 8.312 1.00 0.00 C ATOM 1002 O ILE A 65 3.106 -6.882 8.977 1.00 0.00 O ATOM 1003 CB ILE A 65 0.476 -5.767 10.004 1.00 0.00 C ATOM 1004 CG1 ILE A 65 -0.850 -6.221 10.619 1.00 0.00 C ATOM 1005 CG2 ILE A 65 0.463 -4.267 9.750 1.00 0.00 C ATOM 1006 CD1 ILE A 65 -2.043 -5.996 9.716 1.00 0.00 C ATOM 0 H ILE A 65 0.371 -8.285 9.778 1.00 0.00 H new ATOM 0 HA ILE A 65 0.116 -6.120 7.907 1.00 0.00 H new ATOM 0 HB ILE A 65 1.277 -5.988 10.709 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.784 -7.281 10.863 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.008 -5.688 11.556 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.270 -3.741 10.685 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.429 -3.957 9.352 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.320 -4.027 9.031 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.948 -6.341 10.216 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.135 -4.933 9.492 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.907 -6.552 8.788 1.00 0.00 H new ATOM 1018 N LEU A 66 2.453 -5.614 7.237 1.00 0.00 N ATOM 1019 CA LEU A 66 3.812 -5.368 6.766 1.00 0.00 C ATOM 1020 C LEU A 66 4.381 -4.095 7.385 1.00 0.00 C ATOM 1021 O LEU A 66 3.739 -3.045 7.373 1.00 0.00 O ATOM 1022 CB LEU A 66 3.831 -5.258 5.240 1.00 0.00 C ATOM 1023 CG LEU A 66 3.007 -6.299 4.482 1.00 0.00 C ATOM 1024 CD1 LEU A 66 3.120 -6.080 2.981 1.00 0.00 C ATOM 1025 CD2 LEU A 66 3.455 -7.706 4.852 1.00 0.00 C ATOM 0 H LEU A 66 1.725 -5.172 6.675 1.00 0.00 H new ATOM 0 HA LEU A 66 4.434 -6.209 7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.471 -4.267 4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.865 -5.327 4.904 1.00 0.00 H new ATOM 0 HG LEU A 66 1.961 -6.184 4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.527 -6.830 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.751 -5.086 2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.163 -6.167 2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.858 -8.434 4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.507 -7.832 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.322 -7.861 5.923 1.00 0.00 H new ATOM 1037 N LYS A 67 5.591 -4.196 7.925 1.00 0.00 N ATOM 1038 CA LYS A 67 6.249 -3.054 8.547 1.00 0.00 C ATOM 1039 C LYS A 67 6.854 -2.134 7.492 1.00 0.00 C ATOM 1040 O LYS A 67 7.101 -2.550 6.361 1.00 0.00 O ATOM 1041 CB LYS A 67 7.340 -3.530 9.510 1.00 0.00 C ATOM 1042 CG LYS A 67 7.896 -2.426 10.393 1.00 0.00 C ATOM 1043 CD LYS A 67 6.842 -1.893 11.349 1.00 0.00 C ATOM 1044 CE LYS A 67 7.475 -1.182 12.536 1.00 0.00 C ATOM 1045 NZ LYS A 67 8.295 -2.109 13.364 1.00 0.00 N ATOM 0 H LYS A 67 6.136 -5.058 7.944 1.00 0.00 H new ATOM 0 HA LYS A 67 5.499 -2.494 9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.935 -4.320 10.142 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.155 -3.968 8.934 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.745 -2.806 10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.268 -1.613 9.770 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.184 -1.204 10.819 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.222 -2.716 11.705 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.101 -0.364 12.178 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.693 -0.739 13.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.355 -1.745 14.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.852 -3.050 13.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.251 -2.181 12.961 1.00 0.00 H new ATOM 1059 N ASN A 68 7.091 -0.882 7.870 1.00 0.00 N ATOM 1060 CA ASN A 68 7.669 0.097 6.956 1.00 0.00 C ATOM 1061 C ASN A 68 9.111 -0.263 6.614 1.00 0.00 C ATOM 1062 O ASN A 68 9.551 -0.093 5.477 1.00 0.00 O ATOM 1063 CB ASN A 68 7.612 1.496 7.572 1.00 0.00 C ATOM 1064 CG ASN A 68 8.323 1.568 8.910 1.00 0.00 C ATOM 1065 OD1 ASN A 68 7.829 1.057 9.915 1.00 0.00 O ATOM 1066 ND2 ASN A 68 9.488 2.204 8.927 1.00 0.00 N ATOM 0 H ASN A 68 6.892 -0.521 8.803 1.00 0.00 H new ATOM 0 HA ASN A 68 7.084 0.089 6.036 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.064 2.211 6.885 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.571 1.791 7.701 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.012 2.284 9.798 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.859 2.612 8.069 1.00 0.00 H new ATOM 1073 N ASN A 69 9.842 -0.762 7.605 1.00 0.00 N ATOM 1074 CA ASN A 69 11.235 -1.146 7.410 1.00 0.00 C ATOM 1075 C ASN A 69 11.334 -2.521 6.756 1.00 0.00 C ATOM 1076 O ASN A 69 12.426 -2.992 6.440 1.00 0.00 O ATOM 1077 CB ASN A 69 11.977 -1.151 8.748 1.00 0.00 C ATOM 1078 CG ASN A 69 12.582 0.200 9.078 1.00 0.00 C ATOM 1079 OD1 ASN A 69 13.721 0.489 8.710 1.00 0.00 O ATOM 1080 ND2 ASN A 69 11.820 1.034 9.776 1.00 0.00 N ATOM 0 H ASN A 69 9.493 -0.910 8.552 1.00 0.00 H new ATOM 0 HA ASN A 69 11.698 -0.414 6.748 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.288 -1.441 9.541 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.766 -1.902 8.720 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.173 1.957 10.029 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.882 0.752 10.060 1.00 0.00 H new ATOM 1087 N GLU A 70 10.184 -3.160 6.557 1.00 0.00 N ATOM 1088 CA GLU A 70 10.142 -4.481 5.941 1.00 0.00 C ATOM 1089 C GLU A 70 10.152 -4.372 4.419 1.00 0.00 C ATOM 1090 O GLU A 70 9.428 -3.563 3.837 1.00 0.00 O ATOM 1091 CB GLU A 70 8.897 -5.242 6.400 1.00 0.00 C ATOM 1092 CG GLU A 70 9.065 -5.927 7.747 1.00 0.00 C ATOM 1093 CD GLU A 70 9.623 -7.331 7.621 1.00 0.00 C ATOM 1094 OE1 GLU A 70 10.805 -7.469 7.245 1.00 0.00 O ATOM 1095 OE2 GLU A 70 8.876 -8.292 7.901 1.00 0.00 O ATOM 0 H GLU A 70 9.271 -2.784 6.813 1.00 0.00 H new ATOM 0 HA GLU A 70 11.031 -5.029 6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.058 -4.549 6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.642 -5.991 5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.729 -5.331 8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.100 -5.967 8.253 1.00 0.00 H new ATOM 1102 N THR A 71 10.979 -5.193 3.778 1.00 0.00 N ATOM 1103 CA THR A 71 11.086 -5.188 2.325 1.00 0.00 C ATOM 1104 C THR A 71 10.261 -6.313 1.709 1.00 0.00 C ATOM 1105 O THR A 71 10.072 -7.365 2.322 1.00 0.00 O ATOM 1106 CB THR A 71 12.550 -5.332 1.868 1.00 0.00 C ATOM 1107 OG1 THR A 71 13.418 -4.668 2.793 1.00 0.00 O ATOM 1108 CG2 THR A 71 12.742 -4.750 0.476 1.00 0.00 C ATOM 0 H THR A 71 11.584 -5.870 4.243 1.00 0.00 H new ATOM 0 HA THR A 71 10.699 -4.228 1.984 1.00 0.00 H new ATOM 0 HB THR A 71 12.796 -6.393 1.837 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.347 -4.765 2.497 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.783 -4.863 0.175 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.101 -5.277 -0.230 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.480 -3.692 0.485 1.00 0.00 H new ATOM 1116 N LEU A 72 9.771 -6.086 0.496 1.00 0.00 N ATOM 1117 CA LEU A 72 8.966 -7.081 -0.204 1.00 0.00 C ATOM 1118 C LEU A 72 9.720 -8.402 -0.328 1.00 0.00 C ATOM 1119 O LEU A 72 9.247 -9.444 0.126 1.00 0.00 O ATOM 1120 CB LEU A 72 8.580 -6.570 -1.592 1.00 0.00 C ATOM 1121 CG LEU A 72 7.508 -5.479 -1.631 1.00 0.00 C ATOM 1122 CD1 LEU A 72 6.187 -6.010 -1.099 1.00 0.00 C ATOM 1123 CD2 LEU A 72 7.956 -4.263 -0.834 1.00 0.00 C ATOM 0 H LEU A 72 9.917 -5.221 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 72 8.060 -7.253 0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.477 -6.188 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.231 -7.416 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 72 7.363 -5.176 -2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.437 -5.220 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.859 -6.850 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.317 -6.341 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.181 -3.497 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.130 -4.551 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.878 -3.868 -1.260 1.00 0.00 H new ATOM 1135 N VAL A 73 10.897 -8.350 -0.943 1.00 0.00 N ATOM 1136 CA VAL A 73 11.719 -9.540 -1.124 1.00 0.00 C ATOM 1137 C VAL A 73 11.765 -10.375 0.151 1.00 0.00 C ATOM 1138 O VAL A 73 11.598 -11.594 0.113 1.00 0.00 O ATOM 1139 CB VAL A 73 13.157 -9.173 -1.536 1.00 0.00 C ATOM 1140 CG1 VAL A 73 13.211 -8.800 -3.009 1.00 0.00 C ATOM 1141 CG2 VAL A 73 13.686 -8.039 -0.670 1.00 0.00 C ATOM 0 H VAL A 73 11.303 -7.496 -1.325 1.00 0.00 H new ATOM 0 HA VAL A 73 11.259 -10.124 -1.921 1.00 0.00 H new ATOM 0 HB VAL A 73 13.794 -10.044 -1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.235 -8.544 -3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.876 -9.645 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.562 -7.944 -3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 73 14.703 -7.793 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 73 13.049 -7.163 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 73 13.685 -8.349 0.375 1.00 0.00 H new ATOM 1151 N GLN A 74 11.992 -9.710 1.279 1.00 0.00 N ATOM 1152 CA GLN A 74 12.060 -10.392 2.567 1.00 0.00 C ATOM 1153 C GLN A 74 10.832 -11.268 2.784 1.00 0.00 C ATOM 1154 O GLN A 74 10.926 -12.358 3.350 1.00 0.00 O ATOM 1155 CB GLN A 74 12.182 -9.373 3.701 1.00 0.00 C ATOM 1156 CG GLN A 74 13.597 -8.854 3.904 1.00 0.00 C ATOM 1157 CD GLN A 74 13.801 -8.237 5.274 1.00 0.00 C ATOM 1158 OE1 GLN A 74 12.850 -8.062 6.037 1.00 0.00 O ATOM 1159 NE2 GLN A 74 15.046 -7.903 5.593 1.00 0.00 N ATOM 0 H GLN A 74 12.132 -8.701 1.328 1.00 0.00 H new ATOM 0 HA GLN A 74 12.943 -11.031 2.566 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.521 -8.531 3.494 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.835 -9.830 4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 74 14.303 -9.673 3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 74 13.821 -8.111 3.138 1.00 0.00 H new ATOM 0 HE21 GLN A 74 15.804 -8.066 4.930 1.00 0.00 H new ATOM 0 HE22 GLN A 74 15.245 -7.483 6.501 1.00 0.00 H new ATOM 1168 N HIS A 75 9.679 -10.786 2.331 1.00 0.00 N ATOM 1169 CA HIS A 75 8.430 -11.526 2.476 1.00 0.00 C ATOM 1170 C HIS A 75 8.315 -12.611 1.410 1.00 0.00 C ATOM 1171 O HIS A 75 7.534 -13.551 1.549 1.00 0.00 O ATOM 1172 CB HIS A 75 7.236 -10.576 2.385 1.00 0.00 C ATOM 1173 CG HIS A 75 7.045 -9.734 3.609 1.00 0.00 C ATOM 1174 ND1 HIS A 75 6.478 -10.213 4.771 1.00 0.00 N ATOM 1175 CD2 HIS A 75 7.352 -8.438 3.849 1.00 0.00 C ATOM 1176 CE1 HIS A 75 6.443 -9.247 5.672 1.00 0.00 C ATOM 1177 NE2 HIS A 75 6.968 -8.159 5.137 1.00 0.00 N ATOM 0 H HIS A 75 9.584 -9.886 1.860 1.00 0.00 H new ATOM 0 HA HIS A 75 8.431 -12.003 3.456 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.367 -9.923 1.522 1.00 0.00 H new ATOM 0 HB3 HIS A 75 6.331 -11.158 2.210 1.00 0.00 H new ATOM 0 HD1 HIS A 75 6.139 -11.164 4.913 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.814 -7.751 3.156 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.052 -9.332 6.675 1.00 0.00 H new ATOM 1186 N GLY A 76 9.099 -12.473 0.344 1.00 0.00 N ATOM 1187 CA GLY A 76 9.068 -13.448 -0.730 1.00 0.00 C ATOM 1188 C GLY A 76 8.358 -12.928 -1.964 1.00 0.00 C ATOM 1189 O GLY A 76 7.320 -13.458 -2.361 1.00 0.00 O ATOM 0 H GLY A 76 9.754 -11.704 0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.088 -13.728 -0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.569 -14.352 -0.381 1.00 0.00 H new ATOM 1193 N VAL A 77 8.917 -11.887 -2.573 1.00 0.00 N ATOM 1194 CA VAL A 77 8.329 -11.295 -3.769 1.00 0.00 C ATOM 1195 C VAL A 77 9.380 -11.096 -4.856 1.00 0.00 C ATOM 1196 O VAL A 77 10.400 -10.443 -4.637 1.00 0.00 O ATOM 1197 CB VAL A 77 7.667 -9.940 -3.457 1.00 0.00 C ATOM 1198 CG1 VAL A 77 7.225 -9.253 -4.740 1.00 0.00 C ATOM 1199 CG2 VAL A 77 6.491 -10.128 -2.511 1.00 0.00 C ATOM 0 H VAL A 77 9.776 -11.436 -2.258 1.00 0.00 H new ATOM 0 HA VAL A 77 7.568 -11.989 -4.125 1.00 0.00 H new ATOM 0 HB VAL A 77 8.401 -9.301 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.760 -8.297 -4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.092 -9.084 -5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.507 -9.885 -5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.035 -9.161 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.754 -10.784 -2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.841 -10.574 -1.580 1.00 0.00 H new ATOM 1209 N LYS A 78 9.123 -11.663 -6.030 1.00 0.00 N ATOM 1210 CA LYS A 78 10.044 -11.548 -7.154 1.00 0.00 C ATOM 1211 C LYS A 78 9.697 -10.343 -8.021 1.00 0.00 C ATOM 1212 O LYS A 78 8.570 -9.847 -8.014 1.00 0.00 O ATOM 1213 CB LYS A 78 10.013 -12.824 -7.999 1.00 0.00 C ATOM 1214 CG LYS A 78 10.990 -13.888 -7.530 1.00 0.00 C ATOM 1215 CD LYS A 78 11.032 -15.067 -8.488 1.00 0.00 C ATOM 1216 CE LYS A 78 11.948 -14.792 -9.670 1.00 0.00 C ATOM 1217 NZ LYS A 78 11.850 -15.857 -10.707 1.00 0.00 N ATOM 0 H LYS A 78 8.283 -12.207 -6.228 1.00 0.00 H new ATOM 0 HA LYS A 78 11.049 -11.409 -6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.004 -13.236 -7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.236 -12.569 -9.035 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.986 -13.455 -7.441 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.703 -14.235 -6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.376 -15.955 -7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.026 -15.281 -8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.691 -13.830 -10.112 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.978 -14.718 -9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.489 -15.633 -11.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.120 -16.772 -10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.873 -15.911 -11.058 1.00 0.00 H new ATOM 1231 N PRO A 79 10.685 -9.859 -8.788 1.00 0.00 N ATOM 1232 CA PRO A 79 10.507 -8.707 -9.676 1.00 0.00 C ATOM 1233 C PRO A 79 9.608 -9.027 -10.866 1.00 0.00 C ATOM 1234 O PRO A 79 9.533 -10.173 -11.308 1.00 0.00 O ATOM 1235 CB PRO A 79 11.930 -8.400 -10.149 1.00 0.00 C ATOM 1236 CG PRO A 79 12.657 -9.694 -10.029 1.00 0.00 C ATOM 1237 CD PRO A 79 12.054 -10.400 -8.847 1.00 0.00 C ATOM 0 HA PRO A 79 10.023 -7.873 -9.169 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.936 -8.037 -11.177 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.393 -7.627 -9.535 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.548 -10.289 -10.936 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.725 -9.530 -9.882 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.053 -11.482 -8.983 1.00 0.00 H new ATOM 0 HD3 PRO A 79 12.607 -10.194 -7.931 1.00 0.00 H new ATOM 1245 N GLN A 80 8.928 -8.006 -11.379 1.00 0.00 N ATOM 1246 CA GLN A 80 8.034 -8.180 -12.518 1.00 0.00 C ATOM 1247 C GLN A 80 6.923 -9.171 -12.191 1.00 0.00 C ATOM 1248 O GLN A 80 6.584 -10.028 -13.006 1.00 0.00 O ATOM 1249 CB GLN A 80 8.819 -8.660 -13.741 1.00 0.00 C ATOM 1250 CG GLN A 80 9.353 -7.528 -14.604 1.00 0.00 C ATOM 1251 CD GLN A 80 9.814 -8.003 -15.968 1.00 0.00 C ATOM 1252 OE1 GLN A 80 10.222 -9.153 -16.133 1.00 0.00 O ATOM 1253 NE2 GLN A 80 9.750 -7.117 -16.956 1.00 0.00 N ATOM 0 H GLN A 80 8.979 -7.051 -11.024 1.00 0.00 H new ATOM 0 HA GLN A 80 7.580 -7.215 -12.743 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.654 -9.276 -13.408 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.176 -9.296 -14.348 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.576 -6.774 -14.729 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.185 -7.046 -14.091 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.405 -6.174 -16.774 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.046 -7.379 -17.896 1.00 0.00 H new ATOM 1262 N GLU A 81 6.359 -9.047 -10.993 1.00 0.00 N ATOM 1263 CA GLU A 81 5.286 -9.934 -10.559 1.00 0.00 C ATOM 1264 C GLU A 81 4.041 -9.137 -10.181 1.00 0.00 C ATOM 1265 O GLU A 81 4.095 -7.916 -10.030 1.00 0.00 O ATOM 1266 CB GLU A 81 5.744 -10.780 -9.369 1.00 0.00 C ATOM 1267 CG GLU A 81 5.573 -10.087 -8.028 1.00 0.00 C ATOM 1268 CD GLU A 81 5.825 -11.014 -6.855 1.00 0.00 C ATOM 1269 OE1 GLU A 81 6.710 -11.888 -6.969 1.00 0.00 O ATOM 1270 OE2 GLU A 81 5.138 -10.865 -5.823 1.00 0.00 O ATOM 0 H GLU A 81 6.627 -8.342 -10.307 1.00 0.00 H new ATOM 0 HA GLU A 81 5.036 -10.594 -11.390 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.182 -11.714 -9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.794 -11.041 -9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.258 -9.241 -7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.562 -9.685 -7.958 1.00 0.00 H new ATOM 1277 N ILE A 82 2.921 -9.836 -10.032 1.00 0.00 N ATOM 1278 CA ILE A 82 1.663 -9.194 -9.672 1.00 0.00 C ATOM 1279 C ILE A 82 1.205 -9.622 -8.282 1.00 0.00 C ATOM 1280 O ILE A 82 1.101 -10.814 -7.990 1.00 0.00 O ATOM 1281 CB ILE A 82 0.553 -9.521 -10.689 1.00 0.00 C ATOM 1282 CG1 ILE A 82 0.960 -9.055 -12.088 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -0.758 -8.873 -10.268 1.00 0.00 C ATOM 1284 CD1 ILE A 82 0.138 -9.678 -13.195 1.00 0.00 C ATOM 0 H ILE A 82 2.859 -10.847 -10.155 1.00 0.00 H new ATOM 0 HA ILE A 82 1.845 -8.119 -9.677 1.00 0.00 H new ATOM 0 HB ILE A 82 0.410 -10.601 -10.714 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.866 -7.970 -12.143 1.00 0.00 H new ATOM 0 HG13 ILE A 82 2.012 -9.292 -12.250 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.533 -9.113 -10.996 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.052 -9.250 -9.288 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.630 -7.792 -10.218 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.481 -9.302 -14.159 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.251 -10.762 -13.167 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.912 -9.419 -13.058 1.00 0.00 H new ATOM 1296 N VAL A 83 0.932 -8.642 -7.427 1.00 0.00 N ATOM 1297 CA VAL A 83 0.482 -8.916 -6.067 1.00 0.00 C ATOM 1298 C VAL A 83 -0.762 -8.105 -5.725 1.00 0.00 C ATOM 1299 O VAL A 83 -1.309 -7.403 -6.575 1.00 0.00 O ATOM 1300 CB VAL A 83 1.584 -8.604 -5.038 1.00 0.00 C ATOM 1301 CG1 VAL A 83 2.855 -9.373 -5.365 1.00 0.00 C ATOM 1302 CG2 VAL A 83 1.856 -7.108 -4.986 1.00 0.00 C ATOM 0 H VAL A 83 1.015 -7.651 -7.652 1.00 0.00 H new ATOM 0 HA VAL A 83 0.243 -9.978 -6.021 1.00 0.00 H new ATOM 0 HB VAL A 83 1.238 -8.923 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.622 -9.139 -4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.648 -10.443 -5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.207 -9.089 -6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.637 -6.906 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.180 -6.763 -5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.945 -6.582 -4.699 1.00 0.00 H new ATOM 1312 N GLN A 84 -1.203 -8.206 -4.476 1.00 0.00 N ATOM 1313 CA GLN A 84 -2.384 -7.481 -4.022 1.00 0.00 C ATOM 1314 C GLN A 84 -2.283 -7.151 -2.536 1.00 0.00 C ATOM 1315 O GLN A 84 -2.198 -8.045 -1.695 1.00 0.00 O ATOM 1316 CB GLN A 84 -3.647 -8.303 -4.288 1.00 0.00 C ATOM 1317 CG GLN A 84 -4.935 -7.520 -4.092 1.00 0.00 C ATOM 1318 CD GLN A 84 -6.172 -8.364 -4.324 1.00 0.00 C ATOM 1319 OE1 GLN A 84 -6.090 -9.475 -4.849 1.00 0.00 O ATOM 1320 NE2 GLN A 84 -7.329 -7.840 -3.935 1.00 0.00 N ATOM 0 H GLN A 84 -0.761 -8.783 -3.760 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.442 -6.547 -4.580 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.615 -8.683 -5.309 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.653 -9.169 -3.626 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.960 -7.116 -3.080 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.946 -6.670 -4.774 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.351 -6.916 -3.504 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.195 -8.362 -4.067 1.00 0.00 H new ATOM 1329 N VAL A 85 -2.291 -5.859 -2.221 1.00 0.00 N ATOM 1330 CA VAL A 85 -2.201 -5.410 -0.836 1.00 0.00 C ATOM 1331 C VAL A 85 -3.417 -4.578 -0.448 1.00 0.00 C ATOM 1332 O VAL A 85 -4.205 -4.176 -1.304 1.00 0.00 O ATOM 1333 CB VAL A 85 -0.926 -4.579 -0.598 1.00 0.00 C ATOM 1334 CG1 VAL A 85 0.315 -5.408 -0.893 1.00 0.00 C ATOM 1335 CG2 VAL A 85 -0.947 -3.317 -1.447 1.00 0.00 C ATOM 0 H VAL A 85 -2.359 -5.106 -2.905 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.164 -6.305 -0.214 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.896 -4.284 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.206 -4.804 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.334 -6.280 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.295 -5.735 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.039 -2.742 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.001 -3.589 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.816 -2.715 -1.183 1.00 0.00 H new ATOM 1345 N GLU A 86 -3.563 -4.322 0.848 1.00 0.00 N ATOM 1346 CA GLU A 86 -4.685 -3.537 1.350 1.00 0.00 C ATOM 1347 C GLU A 86 -4.198 -2.413 2.260 1.00 0.00 C ATOM 1348 O GLU A 86 -3.362 -2.629 3.138 1.00 0.00 O ATOM 1349 CB GLU A 86 -5.666 -4.433 2.107 1.00 0.00 C ATOM 1350 CG GLU A 86 -6.646 -5.163 1.204 1.00 0.00 C ATOM 1351 CD GLU A 86 -7.342 -6.312 1.907 1.00 0.00 C ATOM 1352 OE1 GLU A 86 -6.646 -7.128 2.545 1.00 0.00 O ATOM 1353 OE2 GLU A 86 -8.585 -6.395 1.818 1.00 0.00 O ATOM 0 H GLU A 86 -2.919 -4.646 1.569 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.196 -3.094 0.495 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.103 -5.166 2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.225 -3.825 2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.394 -4.458 0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.116 -5.544 0.331 1.00 0.00 H new ATOM 1360 N ILE A 87 -4.727 -1.213 2.044 1.00 0.00 N ATOM 1361 CA ILE A 87 -4.348 -0.056 2.845 1.00 0.00 C ATOM 1362 C ILE A 87 -5.513 0.424 3.704 1.00 0.00 C ATOM 1363 O ILE A 87 -6.618 0.640 3.206 1.00 0.00 O ATOM 1364 CB ILE A 87 -3.864 1.107 1.960 1.00 0.00 C ATOM 1365 CG1 ILE A 87 -2.472 0.807 1.400 1.00 0.00 C ATOM 1366 CG2 ILE A 87 -3.854 2.407 2.751 1.00 0.00 C ATOM 1367 CD1 ILE A 87 -2.049 1.749 0.295 1.00 0.00 C ATOM 0 H ILE A 87 -5.419 -1.017 1.321 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.530 -0.374 3.492 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.555 1.219 1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.744 0.860 2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.454 -0.215 1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.509 3.219 2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.862 2.626 3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -3.184 2.308 3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.053 1.477 -0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.755 1.679 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.034 2.771 0.674 1.00 0.00 H new ATOM 1379 N PHE A 88 -5.258 0.590 4.998 1.00 0.00 N ATOM 1380 CA PHE A 88 -6.285 1.045 5.927 1.00 0.00 C ATOM 1381 C PHE A 88 -5.664 1.818 7.088 1.00 0.00 C ATOM 1382 O PHE A 88 -4.461 1.734 7.330 1.00 0.00 O ATOM 1383 CB PHE A 88 -7.083 -0.146 6.462 1.00 0.00 C ATOM 1384 CG PHE A 88 -6.324 -0.978 7.456 1.00 0.00 C ATOM 1385 CD1 PHE A 88 -6.153 -0.540 8.759 1.00 0.00 C ATOM 1386 CD2 PHE A 88 -5.783 -2.199 7.087 1.00 0.00 C ATOM 1387 CE1 PHE A 88 -5.455 -1.304 9.675 1.00 0.00 C ATOM 1388 CE2 PHE A 88 -5.084 -2.968 7.999 1.00 0.00 C ATOM 1389 CZ PHE A 88 -4.920 -2.520 9.295 1.00 0.00 C ATOM 0 H PHE A 88 -4.349 0.416 5.427 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.958 1.712 5.388 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.997 0.220 6.929 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.383 -0.777 5.626 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.570 0.409 9.062 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -5.909 -2.554 6.075 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.328 -0.951 10.688 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.667 -3.918 7.698 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.375 -3.119 10.010 1.00 0.00 H new ATOM 1399 N SER A 89 -6.496 2.571 7.801 1.00 0.00 N ATOM 1400 CA SER A 89 -6.029 3.363 8.933 1.00 0.00 C ATOM 1401 C SER A 89 -6.516 2.767 10.250 1.00 0.00 C ATOM 1402 O SER A 89 -7.674 2.364 10.373 1.00 0.00 O ATOM 1403 CB SER A 89 -6.512 4.809 8.804 1.00 0.00 C ATOM 1404 OG SER A 89 -5.761 5.674 9.639 1.00 0.00 O ATOM 0 H SER A 89 -7.496 2.649 7.615 1.00 0.00 H new ATOM 0 HA SER A 89 -4.939 3.350 8.930 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.425 5.134 7.767 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.568 4.868 9.069 1.00 0.00 H new ATOM 0 HG SER A 89 -5.583 6.513 9.165 1.00 0.00 H new ATOM 1410 N THR A 90 -5.624 2.714 11.234 1.00 0.00 N ATOM 1411 CA THR A 90 -5.961 2.167 12.543 1.00 0.00 C ATOM 1412 C THR A 90 -7.025 3.011 13.234 1.00 0.00 C ATOM 1413 O THR A 90 -7.909 2.483 13.907 1.00 0.00 O ATOM 1414 CB THR A 90 -4.720 2.080 13.451 1.00 0.00 C ATOM 1415 OG1 THR A 90 -4.149 3.382 13.627 1.00 0.00 O ATOM 1416 CG2 THR A 90 -3.680 1.141 12.859 1.00 0.00 C ATOM 0 H THR A 90 -4.662 3.043 11.150 1.00 0.00 H new ATOM 0 HA THR A 90 -6.351 1.163 12.376 1.00 0.00 H new ATOM 0 HB THR A 90 -5.033 1.687 14.418 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.734 3.673 12.788 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.813 1.096 13.518 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.108 0.144 12.754 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.373 1.509 11.880 1.00 0.00 H new ATOM 1424 N ASN A 91 -6.934 4.326 13.063 1.00 0.00 N ATOM 1425 CA ASN A 91 -7.891 5.244 13.672 1.00 0.00 C ATOM 1426 C ASN A 91 -8.568 6.106 12.611 1.00 0.00 C ATOM 1427 O ASN A 91 -8.130 7.214 12.303 1.00 0.00 O ATOM 1428 CB ASN A 91 -7.190 6.136 14.699 1.00 0.00 C ATOM 1429 CG ASN A 91 -6.122 7.011 14.072 1.00 0.00 C ATOM 1430 OD1 ASN A 91 -5.792 6.860 12.895 1.00 0.00 O ATOM 1431 ND2 ASN A 91 -5.576 7.932 14.857 1.00 0.00 N ATOM 0 H ASN A 91 -6.208 4.780 12.508 1.00 0.00 H new ATOM 0 HA ASN A 91 -8.655 4.652 14.176 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.929 6.767 15.193 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.738 5.512 15.470 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.852 8.550 14.491 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.880 8.021 15.826 1.00 0.00 H new ATOM 1438 N PRO A 92 -9.664 5.586 12.037 1.00 0.00 N ATOM 1439 CA PRO A 92 -10.426 6.291 11.003 1.00 0.00 C ATOM 1440 C PRO A 92 -11.171 7.502 11.556 1.00 0.00 C ATOM 1441 O PRO A 92 -11.682 8.327 10.799 1.00 0.00 O ATOM 1442 CB PRO A 92 -11.417 5.234 10.510 1.00 0.00 C ATOM 1443 CG PRO A 92 -11.575 4.297 11.658 1.00 0.00 C ATOM 1444 CD PRO A 92 -10.243 4.270 12.355 1.00 0.00 C ATOM 0 HA PRO A 92 -9.780 6.688 10.220 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.370 5.684 10.232 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.039 4.718 9.627 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.362 4.635 12.332 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.856 3.302 11.314 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.355 4.130 13.430 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.616 3.456 11.991 1.00 0.00 H new ATOM 1452 N ASP A 93 -11.227 7.602 12.879 1.00 0.00 N ATOM 1453 CA ASP A 93 -11.908 8.713 13.533 1.00 0.00 C ATOM 1454 C ASP A 93 -11.008 9.944 13.590 1.00 0.00 C ATOM 1455 O ASP A 93 -11.489 11.078 13.600 1.00 0.00 O ATOM 1456 CB ASP A 93 -12.338 8.315 14.946 1.00 0.00 C ATOM 1457 CG ASP A 93 -13.479 9.168 15.466 1.00 0.00 C ATOM 1458 OD1 ASP A 93 -13.293 10.397 15.591 1.00 0.00 O ATOM 1459 OD2 ASP A 93 -14.559 8.606 15.746 1.00 0.00 O ATOM 0 H ASP A 93 -10.809 6.927 13.520 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.794 8.959 12.948 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.640 7.268 14.949 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -11.486 8.403 15.620 1.00 0.00 H new ATOM 1464 N LEU A 94 -9.701 9.713 13.629 1.00 0.00 N ATOM 1465 CA LEU A 94 -8.733 10.803 13.686 1.00 0.00 C ATOM 1466 C LEU A 94 -8.168 11.103 12.301 1.00 0.00 C ATOM 1467 O LEU A 94 -8.129 12.256 11.871 1.00 0.00 O ATOM 1468 CB LEU A 94 -7.596 10.452 14.647 1.00 0.00 C ATOM 1469 CG LEU A 94 -7.914 10.583 16.138 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -6.731 10.125 16.977 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -8.289 12.017 16.479 1.00 0.00 C ATOM 0 H LEU A 94 -9.287 8.781 13.622 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.247 11.693 14.050 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.285 9.426 14.451 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.744 11.093 14.420 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.766 9.942 16.367 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.975 10.225 18.035 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.508 9.082 16.753 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.861 10.740 16.745 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.512 12.092 17.543 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.458 12.678 16.235 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.167 12.310 15.903 1.00 0.00 H new ATOM 1483 N TYR A 95 -7.733 10.057 11.606 1.00 0.00 N ATOM 1484 CA TYR A 95 -7.170 10.209 10.270 1.00 0.00 C ATOM 1485 C TYR A 95 -7.788 9.204 9.302 1.00 0.00 C ATOM 1486 O TYR A 95 -7.227 8.144 9.024 1.00 0.00 O ATOM 1487 CB TYR A 95 -5.652 10.028 10.309 1.00 0.00 C ATOM 1488 CG TYR A 95 -4.969 10.868 11.365 1.00 0.00 C ATOM 1489 CD1 TYR A 95 -4.941 10.463 12.693 1.00 0.00 C ATOM 1490 CD2 TYR A 95 -4.352 12.068 11.033 1.00 0.00 C ATOM 1491 CE1 TYR A 95 -4.319 11.229 13.660 1.00 0.00 C ATOM 1492 CE2 TYR A 95 -3.726 12.839 11.993 1.00 0.00 C ATOM 1493 CZ TYR A 95 -3.713 12.416 13.305 1.00 0.00 C ATOM 1494 OH TYR A 95 -3.092 13.180 14.266 1.00 0.00 O ATOM 0 H TYR A 95 -7.760 9.096 11.946 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.400 11.215 9.919 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.424 8.977 10.489 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.239 10.281 9.332 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.413 9.534 12.975 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.362 12.404 10.007 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.307 10.900 14.689 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.249 13.768 11.717 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.714 13.984 13.851 1.00 0.00 H new ATOM 1504 N PRO A 96 -8.973 9.545 8.774 1.00 0.00 N ATOM 1505 CA PRO A 96 -9.694 8.688 7.828 1.00 0.00 C ATOM 1506 C PRO A 96 -9.002 8.612 6.471 1.00 0.00 C ATOM 1507 O PRO A 96 -8.316 9.548 6.059 1.00 0.00 O ATOM 1508 CB PRO A 96 -11.056 9.374 7.695 1.00 0.00 C ATOM 1509 CG PRO A 96 -10.795 10.802 8.029 1.00 0.00 C ATOM 1510 CD PRO A 96 -9.701 10.793 9.060 1.00 0.00 C ATOM 0 HA PRO A 96 -9.753 7.657 8.176 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.455 9.270 6.686 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.788 8.936 8.374 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.492 11.361 7.143 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.693 11.282 8.417 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.054 11.666 8.967 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.103 10.800 10.073 1.00 0.00 H new ATOM 1518 N VAL A 97 -9.185 7.491 5.780 1.00 0.00 N ATOM 1519 CA VAL A 97 -8.579 7.293 4.469 1.00 0.00 C ATOM 1520 C VAL A 97 -9.533 7.709 3.355 1.00 0.00 C ATOM 1521 O VAL A 97 -10.586 7.099 3.165 1.00 0.00 O ATOM 1522 CB VAL A 97 -8.168 5.824 4.257 1.00 0.00 C ATOM 1523 CG1 VAL A 97 -7.386 5.671 2.961 1.00 0.00 C ATOM 1524 CG2 VAL A 97 -7.357 5.322 5.442 1.00 0.00 C ATOM 0 H VAL A 97 -9.748 6.706 6.107 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.688 7.920 4.433 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.071 5.218 4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.104 4.627 2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.005 5.990 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.488 6.287 3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.075 4.282 5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.458 5.929 5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.956 5.395 6.350 1.00 0.00 H new ATOM 1534 N ARG A 98 -9.157 8.750 2.619 1.00 0.00 N ATOM 1535 CA ARG A 98 -9.979 9.248 1.523 1.00 0.00 C ATOM 1536 C ARG A 98 -9.475 8.722 0.183 1.00 0.00 C ATOM 1537 O ARG A 98 -8.376 8.174 0.093 1.00 0.00 O ATOM 1538 CB ARG A 98 -9.983 10.778 1.514 1.00 0.00 C ATOM 1539 CG ARG A 98 -8.654 11.387 1.098 1.00 0.00 C ATOM 1540 CD ARG A 98 -8.834 12.793 0.547 1.00 0.00 C ATOM 1541 NE ARG A 98 -7.584 13.341 0.025 1.00 0.00 N ATOM 1542 CZ ARG A 98 -7.526 14.373 -0.809 1.00 0.00 C ATOM 1543 NH1 ARG A 98 -8.640 14.966 -1.214 1.00 0.00 N ATOM 1544 NH2 ARG A 98 -6.351 14.814 -1.240 1.00 0.00 N ATOM 0 H ARG A 98 -8.288 9.265 2.762 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.997 8.890 1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.761 11.127 0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.243 11.138 2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.981 11.414 1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.184 10.757 0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.582 12.779 -0.245 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.215 13.445 1.333 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.708 12.907 0.317 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.545 14.630 -0.885 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.592 15.758 -1.855 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.491 14.360 -0.931 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.307 15.607 -1.881 1.00 0.00 H new ATOM 1558 N ARG A 99 -10.287 8.891 -0.857 1.00 0.00 N ATOM 1559 CA ARG A 99 -9.924 8.431 -2.192 1.00 0.00 C ATOM 1560 C ARG A 99 -8.962 9.409 -2.860 1.00 0.00 C ATOM 1561 O ARG A 99 -8.743 10.515 -2.366 1.00 0.00 O ATOM 1562 CB ARG A 99 -11.176 8.262 -3.054 1.00 0.00 C ATOM 1563 CG ARG A 99 -11.960 9.549 -3.249 1.00 0.00 C ATOM 1564 CD ARG A 99 -13.441 9.273 -3.456 1.00 0.00 C ATOM 1565 NE ARG A 99 -14.249 10.480 -3.304 1.00 0.00 N ATOM 1566 CZ ARG A 99 -14.360 11.413 -4.243 1.00 0.00 C ATOM 1567 NH1 ARG A 99 -13.719 11.278 -5.396 1.00 0.00 N ATOM 1568 NH2 ARG A 99 -15.115 12.484 -4.031 1.00 0.00 N ATOM 0 H ARG A 99 -11.200 9.343 -0.800 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.426 7.467 -2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.885 7.873 -4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.825 7.517 -2.594 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.827 10.193 -2.380 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.566 10.090 -4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -13.596 8.856 -4.451 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.773 8.522 -2.740 1.00 0.00 H new ATOM 0 HE ARG A 99 -14.756 10.614 -2.429 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.139 10.456 -5.564 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.806 11.996 -6.115 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.611 12.591 -3.146 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.199 13.200 -4.753 1.00 0.00 H new