USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 641 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 59 ASN : amide:sc= -1.03 K(o=-1.2,f=-6.9!) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.188 K(o=-1.2,f=-4.3) USER MOD Set 2.1: A 6 THR OG1 : rot -153:sc= 1.05 USER MOD Set 2.2: A 47 SER OG : rot 105:sc= 1.78 USER MOD Set 2.3: A 49 HIS : no HE2:sc= -0.704 K(o=2.1,f=-0.94) USER MOD Set 3.1: A 4 ASN : amide:sc= 0.709 K(o=1.7,f=-4.7) USER MOD Set 3.2: A 30 LYS NZ :NH3+ 177:sc= 0.941 (180deg=0) USER MOD Set 4.1: A 16 SER OG : rot -34:sc= -0.061 USER MOD Set 4.2: A 56 GLN : amide:sc= 0.198 K(o=0.14,f=-2.8!) USER MOD Single : A 7 ASN : amide:sc= -0.57 K(o=-0.57,f=-3.4!) USER MOD Single : A 22 ASN : amide:sc= 0.87 K(o=0.87,f=-0.067) USER MOD Single : A 24 ASN : amide:sc= -0.668 X(o=-0.67,f=-0.59) USER MOD Single : A 25 THR OG1 : rot -18:sc= 0.858 USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0.408 (180deg=0.292) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -153:sc= 0.781 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 31:sc= -0.562 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -11:sc= 0.32 USER MOD Single : A 74 MET CE :methyl -119:sc= -0.768 (180deg=-1.11) USER MOD Single : A 78 GLN : amide:sc= -0.621 K(o=-0.62,f=-0.035) USER MOD Single : A 83 ASN : amide:sc= 0.278 X(o=0.28,f=-0.12) USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= -0.0121 (180deg=-0.237) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -165:sc= -0.0227 (180deg=-0.333) USER MOD Single : A 105 TYR OH : rot -5:sc= 0.694 USER MOD ----------------------------------------------------------------- ATOM 24 N ASN A 4 9.728 10.253 0.554 1.00 0.00 N ATOM 25 CA ASN A 4 9.674 9.375 1.717 1.00 0.00 C ATOM 26 C ASN A 4 8.382 9.593 2.513 1.00 0.00 C ATOM 27 O ASN A 4 8.166 8.948 3.538 1.00 0.00 O ATOM 28 CB ASN A 4 10.924 9.631 2.567 1.00 0.00 C ATOM 29 CG ASN A 4 11.124 8.614 3.682 1.00 0.00 C ATOM 30 OD1 ASN A 4 10.612 7.500 3.631 1.00 0.00 O ATOM 31 ND2 ASN A 4 11.881 9.000 4.707 1.00 0.00 N ATOM 0 HA ASN A 4 9.663 8.332 1.401 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.801 9.624 1.919 1.00 0.00 H new ATOM 0 HB3 ASN A 4 10.858 10.628 3.004 1.00 0.00 H new ATOM 0 HD21 ASN A 4 12.051 8.362 5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.290 9.934 4.715 1.00 0.00 H new ATOM 38 N VAL A 5 7.519 10.503 2.051 1.00 0.00 N ATOM 39 CA VAL A 5 6.301 10.871 2.761 1.00 0.00 C ATOM 40 C VAL A 5 5.106 10.066 2.265 1.00 0.00 C ATOM 41 O VAL A 5 4.890 9.944 1.061 1.00 0.00 O ATOM 42 CB VAL A 5 6.074 12.378 2.653 1.00 0.00 C ATOM 43 CG1 VAL A 5 4.771 12.784 3.340 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.227 13.107 3.335 1.00 0.00 C ATOM 0 H VAL A 5 7.650 11.003 1.172 1.00 0.00 H new ATOM 0 HA VAL A 5 6.417 10.625 3.817 1.00 0.00 H new ATOM 0 HB VAL A 5 6.017 12.643 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.632 13.861 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.935 12.269 2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.815 12.511 4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.071 14.183 3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.270 12.817 4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.165 12.842 2.847 1.00 0.00 H new ATOM 54 N THR A 6 4.333 9.519 3.209 1.00 0.00 N ATOM 55 CA THR A 6 3.173 8.684 2.925 1.00 0.00 C ATOM 56 C THR A 6 2.114 8.784 4.026 1.00 0.00 C ATOM 57 O THR A 6 1.138 8.047 3.981 1.00 0.00 O ATOM 58 CB THR A 6 3.595 7.213 2.796 1.00 0.00 C ATOM 59 OG1 THR A 6 4.222 6.790 3.986 1.00 0.00 O ATOM 60 CG2 THR A 6 4.566 6.972 1.645 1.00 0.00 C ATOM 0 H THR A 6 4.503 9.649 4.206 1.00 0.00 H new ATOM 0 HA THR A 6 2.746 9.044 1.989 1.00 0.00 H new ATOM 0 HB THR A 6 2.684 6.648 2.600 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.844 6.059 3.786 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.827 5.915 1.605 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.097 7.266 0.706 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.468 7.563 1.800 1.00 0.00 H new ATOM 68 N ASN A 7 2.269 9.669 5.019 1.00 0.00 N ATOM 69 CA ASN A 7 1.363 9.691 6.164 1.00 0.00 C ATOM 70 C ASN A 7 0.339 10.827 6.133 1.00 0.00 C ATOM 71 O ASN A 7 -0.244 11.158 7.164 1.00 0.00 O ATOM 72 CB ASN A 7 2.156 9.620 7.474 1.00 0.00 C ATOM 73 CG ASN A 7 2.890 10.906 7.823 1.00 0.00 C ATOM 74 OD1 ASN A 7 2.713 11.946 7.190 1.00 0.00 O ATOM 75 ND2 ASN A 7 3.730 10.842 8.852 1.00 0.00 N ATOM 0 H ASN A 7 3.008 10.372 5.049 1.00 0.00 H new ATOM 0 HA ASN A 7 0.747 8.794 6.098 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.474 9.371 8.287 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.880 8.808 7.405 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.251 11.671 9.138 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.854 9.964 9.356 1.00 0.00 H new ATOM 210 N SER A 16 -5.698 7.684 -2.043 1.00 0.00 N ATOM 211 CA SER A 16 -4.726 7.424 -3.095 1.00 0.00 C ATOM 212 C SER A 16 -3.499 6.702 -2.540 1.00 0.00 C ATOM 213 O SER A 16 -2.524 6.495 -3.260 1.00 0.00 O ATOM 214 CB SER A 16 -4.349 8.729 -3.788 1.00 0.00 C ATOM 215 OG SER A 16 -3.783 9.630 -2.864 1.00 0.00 O ATOM 0 HA SER A 16 -5.175 6.764 -3.837 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.641 8.530 -4.592 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.233 9.174 -4.245 1.00 0.00 H new ATOM 0 HG SER A 16 -4.211 9.514 -1.990 1.00 0.00 H new ATOM 221 N ARG A 17 -3.539 6.312 -1.258 1.00 0.00 N ATOM 222 CA ARG A 17 -2.468 5.566 -0.614 1.00 0.00 C ATOM 223 C ARG A 17 -2.836 4.091 -0.533 1.00 0.00 C ATOM 224 O ARG A 17 -4.013 3.738 -0.503 1.00 0.00 O ATOM 225 CB ARG A 17 -2.207 6.147 0.775 1.00 0.00 C ATOM 226 CG ARG A 17 -1.043 5.411 1.438 1.00 0.00 C ATOM 227 CD ARG A 17 -0.442 6.239 2.566 1.00 0.00 C ATOM 228 NE ARG A 17 -1.426 6.583 3.598 1.00 0.00 N ATOM 229 CZ ARG A 17 -1.899 7.815 3.803 1.00 0.00 C ATOM 230 NH1 ARG A 17 -1.584 8.824 2.997 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.704 8.042 4.833 1.00 0.00 N ATOM 0 H ARG A 17 -4.326 6.511 -0.640 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.555 5.652 -1.202 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.979 7.210 0.697 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.102 6.058 1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.389 4.454 1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.276 5.192 0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.378 5.685 3.022 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.018 7.155 2.154 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.771 5.833 4.197 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.968 8.667 2.200 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.959 9.756 3.176 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.957 7.279 5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.070 8.980 4.997 1.00 0.00 H new ATOM 245 N VAL A 18 -1.820 3.226 -0.495 1.00 0.00 N ATOM 246 CA VAL A 18 -2.000 1.789 -0.376 1.00 0.00 C ATOM 247 C VAL A 18 -1.187 1.254 0.794 1.00 0.00 C ATOM 248 O VAL A 18 0.000 1.545 0.921 1.00 0.00 O ATOM 249 CB VAL A 18 -1.591 1.101 -1.679 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.781 -0.411 -1.555 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.458 1.615 -2.824 1.00 0.00 C ATOM 0 H VAL A 18 -0.842 3.513 -0.547 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.052 1.576 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.542 1.322 -1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.487 -0.892 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.163 -0.790 -0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.828 -0.630 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.165 1.123 -3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.505 1.398 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.325 2.692 -2.926 1.00 0.00 H new ATOM 261 N PHE A 19 -1.849 0.469 1.645 1.00 0.00 N ATOM 262 CA PHE A 19 -1.226 -0.222 2.762 1.00 0.00 C ATOM 263 C PHE A 19 -0.742 -1.593 2.297 1.00 0.00 C ATOM 264 O PHE A 19 -1.496 -2.331 1.661 1.00 0.00 O ATOM 265 CB PHE A 19 -2.251 -0.339 3.895 1.00 0.00 C ATOM 266 CG PHE A 19 -1.784 -1.092 5.121 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.519 -0.840 5.672 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.626 -2.045 5.713 1.00 0.00 C ATOM 269 CE1 PHE A 19 -0.098 -1.542 6.811 1.00 0.00 C ATOM 270 CE2 PHE A 19 -2.201 -2.746 6.850 1.00 0.00 C ATOM 271 CZ PHE A 19 -0.934 -2.502 7.397 1.00 0.00 C ATOM 0 H PHE A 19 -2.852 0.296 1.571 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.362 0.331 3.131 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.548 0.665 4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.142 -0.831 3.506 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.131 -0.106 5.219 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.602 -2.239 5.293 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.874 -1.342 7.238 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.852 -3.477 7.306 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.603 -3.051 8.266 1.00 0.00 H new ATOM 281 N ILE A 20 0.511 -1.933 2.612 1.00 0.00 N ATOM 282 CA ILE A 20 1.113 -3.206 2.243 1.00 0.00 C ATOM 283 C ILE A 20 1.533 -3.915 3.522 1.00 0.00 C ATOM 284 O ILE A 20 2.674 -3.805 3.957 1.00 0.00 O ATOM 285 CB ILE A 20 2.303 -2.977 1.300 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.856 -2.265 0.017 1.00 0.00 C ATOM 287 CG2 ILE A 20 2.991 -4.300 0.945 1.00 0.00 C ATOM 288 CD1 ILE A 20 3.046 -1.619 -0.683 1.00 0.00 C ATOM 0 H ILE A 20 1.138 -1.322 3.136 1.00 0.00 H new ATOM 0 HA ILE A 20 0.399 -3.830 1.706 1.00 0.00 H new ATOM 0 HB ILE A 20 3.017 -2.343 1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.377 -2.979 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.112 -1.505 0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.830 -4.106 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.355 -4.776 1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.278 -4.960 0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.707 -1.119 -1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.507 -0.889 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.776 -2.386 -0.942 1.00 0.00 H new ATOM 300 N GLY A 21 0.596 -4.647 4.123 1.00 0.00 N ATOM 301 CA GLY A 21 0.858 -5.404 5.332 1.00 0.00 C ATOM 302 C GLY A 21 1.416 -6.785 4.999 1.00 0.00 C ATOM 303 O GLY A 21 1.506 -7.163 3.831 1.00 0.00 O ATOM 0 H GLY A 21 -0.362 -4.728 3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.567 -4.862 5.959 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.062 -5.508 5.907 1.00 0.00 H new ATOM 307 N ASN A 22 1.790 -7.536 6.039 1.00 0.00 N ATOM 308 CA ASN A 22 2.326 -8.881 5.894 1.00 0.00 C ATOM 309 C ASN A 22 3.474 -8.906 4.879 1.00 0.00 C ATOM 310 O ASN A 22 3.568 -9.814 4.059 1.00 0.00 O ATOM 311 CB ASN A 22 1.184 -9.846 5.549 1.00 0.00 C ATOM 312 CG ASN A 22 1.542 -11.295 5.843 1.00 0.00 C ATOM 313 OD1 ASN A 22 1.543 -11.717 6.996 1.00 0.00 O ATOM 314 ND2 ASN A 22 1.848 -12.074 4.810 1.00 0.00 N ATOM 0 H ASN A 22 1.727 -7.221 7.007 1.00 0.00 H new ATOM 0 HA ASN A 22 2.761 -9.215 6.836 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.295 -9.571 6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.932 -9.744 4.494 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.093 -13.052 4.964 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.838 -11.693 3.864 1.00 0.00 H new ATOM 321 N LEU A 23 4.349 -7.895 4.933 1.00 0.00 N ATOM 322 CA LEU A 23 5.484 -7.765 4.032 1.00 0.00 C ATOM 323 C LEU A 23 6.729 -8.382 4.672 1.00 0.00 C ATOM 324 O LEU A 23 6.895 -8.311 5.888 1.00 0.00 O ATOM 325 CB LEU A 23 5.654 -6.280 3.703 1.00 0.00 C ATOM 326 CG LEU A 23 6.790 -5.979 2.721 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.583 -6.669 1.375 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.850 -4.472 2.495 1.00 0.00 C ATOM 0 H LEU A 23 4.282 -7.139 5.614 1.00 0.00 H new ATOM 0 HA LEU A 23 5.320 -8.306 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.720 -5.903 3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.835 -5.733 4.628 1.00 0.00 H new ATOM 0 HG LEU A 23 7.718 -6.355 3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.413 -6.427 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.539 -7.748 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.649 -6.325 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.655 -4.240 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.902 -4.128 2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.037 -3.969 3.444 1.00 0.00 H new ATOM 340 N ASN A 24 7.613 -8.989 3.873 1.00 0.00 N ATOM 341 CA ASN A 24 8.812 -9.621 4.414 1.00 0.00 C ATOM 342 C ASN A 24 9.799 -8.578 4.934 1.00 0.00 C ATOM 343 O ASN A 24 10.427 -8.785 5.969 1.00 0.00 O ATOM 344 CB ASN A 24 9.478 -10.467 3.323 1.00 0.00 C ATOM 345 CG ASN A 24 10.575 -11.345 3.917 1.00 0.00 C ATOM 346 OD1 ASN A 24 10.398 -11.943 4.973 1.00 0.00 O ATOM 347 ND2 ASN A 24 11.716 -11.429 3.245 1.00 0.00 N ATOM 0 H ASN A 24 7.519 -9.054 2.859 1.00 0.00 H new ATOM 0 HA ASN A 24 8.520 -10.257 5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.731 -11.091 2.833 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.901 -9.816 2.558 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.478 -12.004 3.604 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.831 -10.919 2.369 1.00 0.00 H new ATOM 354 N THR A 25 9.924 -7.460 4.205 1.00 0.00 N ATOM 355 CA THR A 25 10.787 -6.310 4.492 1.00 0.00 C ATOM 356 C THR A 25 12.278 -6.628 4.648 1.00 0.00 C ATOM 357 O THR A 25 13.089 -5.713 4.777 1.00 0.00 O ATOM 358 CB THR A 25 10.256 -5.501 5.679 1.00 0.00 C ATOM 359 OG1 THR A 25 10.394 -6.210 6.890 1.00 0.00 O ATOM 360 CG2 THR A 25 8.785 -5.155 5.471 1.00 0.00 C ATOM 0 H THR A 25 9.391 -7.328 3.346 1.00 0.00 H new ATOM 0 HA THR A 25 10.737 -5.697 3.592 1.00 0.00 H new ATOM 0 HB THR A 25 10.847 -4.587 5.739 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.531 -7.161 6.698 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.422 -4.580 6.323 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.675 -4.564 4.562 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.205 -6.073 5.379 1.00 0.00 H new ATOM 368 N LEU A 26 12.657 -7.909 4.635 1.00 0.00 N ATOM 369 CA LEU A 26 14.046 -8.329 4.727 1.00 0.00 C ATOM 370 C LEU A 26 14.704 -8.397 3.350 1.00 0.00 C ATOM 371 O LEU A 26 15.930 -8.438 3.259 1.00 0.00 O ATOM 372 CB LEU A 26 14.103 -9.695 5.419 1.00 0.00 C ATOM 373 CG LEU A 26 14.344 -9.630 6.933 1.00 0.00 C ATOM 374 CD1 LEU A 26 15.721 -9.048 7.245 1.00 0.00 C ATOM 375 CD2 LEU A 26 13.281 -8.799 7.649 1.00 0.00 C ATOM 0 H LEU A 26 11.999 -8.685 4.560 1.00 0.00 H new ATOM 0 HA LEU A 26 14.600 -7.593 5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.166 -10.221 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.896 -10.287 4.962 1.00 0.00 H new ATOM 0 HG LEU A 26 14.287 -10.656 7.297 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.865 -9.013 8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.491 -9.675 6.796 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.791 -8.040 6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.492 -8.781 8.718 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.292 -7.781 7.260 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.299 -9.241 7.481 1.00 0.00 H new ATOM 387 N VAL A 27 13.904 -8.412 2.282 1.00 0.00 N ATOM 388 CA VAL A 27 14.418 -8.466 0.917 1.00 0.00 C ATOM 389 C VAL A 27 13.830 -7.334 0.077 1.00 0.00 C ATOM 390 O VAL A 27 14.376 -6.998 -0.974 1.00 0.00 O ATOM 391 CB VAL A 27 14.108 -9.844 0.314 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.655 -9.972 -1.109 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.735 -10.954 1.159 1.00 0.00 C ATOM 0 H VAL A 27 12.886 -8.387 2.341 1.00 0.00 H new ATOM 0 HA VAL A 27 15.499 -8.329 0.926 1.00 0.00 H new ATOM 0 HB VAL A 27 13.023 -9.942 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.417 -10.960 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.202 -9.210 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.737 -9.838 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.504 -11.923 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.816 -10.819 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.332 -10.913 2.171 1.00 0.00 H new ATOM 403 N VAL A 28 12.721 -6.735 0.525 1.00 0.00 N ATOM 404 CA VAL A 28 12.107 -5.610 -0.172 1.00 0.00 C ATOM 405 C VAL A 28 12.259 -4.332 0.647 1.00 0.00 C ATOM 406 O VAL A 28 12.036 -4.338 1.858 1.00 0.00 O ATOM 407 CB VAL A 28 10.637 -5.910 -0.479 1.00 0.00 C ATOM 408 CG1 VAL A 28 9.996 -4.750 -1.235 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.539 -7.161 -1.351 1.00 0.00 C ATOM 0 H VAL A 28 12.231 -7.017 1.374 1.00 0.00 H new ATOM 0 HA VAL A 28 12.620 -5.459 -1.122 1.00 0.00 H new ATOM 0 HB VAL A 28 10.117 -6.060 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.952 -4.984 -1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.051 -3.846 -0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.526 -4.590 -2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.492 -7.372 -1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.077 -6.997 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.978 -8.008 -0.823 1.00 0.00 H new ATOM 419 N LYS A 29 12.640 -3.241 -0.022 1.00 0.00 N ATOM 420 CA LYS A 29 12.873 -1.942 0.603 1.00 0.00 C ATOM 421 C LYS A 29 12.119 -0.859 -0.158 1.00 0.00 C ATOM 422 O LYS A 29 11.524 -1.116 -1.203 1.00 0.00 O ATOM 423 CB LYS A 29 14.380 -1.632 0.638 1.00 0.00 C ATOM 424 CG LYS A 29 15.127 -2.331 1.778 1.00 0.00 C ATOM 425 CD LYS A 29 15.446 -3.802 1.491 1.00 0.00 C ATOM 426 CE LYS A 29 16.287 -4.397 2.623 1.00 0.00 C ATOM 427 NZ LYS A 29 15.561 -4.382 3.907 1.00 0.00 N ATOM 0 H LYS A 29 12.797 -3.238 -1.030 1.00 0.00 H new ATOM 0 HA LYS A 29 12.505 -1.968 1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.825 -1.929 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.518 -0.555 0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.057 -1.797 1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.528 -2.268 2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.520 -4.367 1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.984 -3.886 0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.562 -5.421 2.372 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.214 -3.833 2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.095 -4.926 4.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.454 -3.401 4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.621 -4.808 3.779 1.00 0.00 H new ATOM 441 N LYS A 30 12.146 0.364 0.374 1.00 0.00 N ATOM 442 CA LYS A 30 11.472 1.518 -0.211 1.00 0.00 C ATOM 443 C LYS A 30 12.063 1.917 -1.564 1.00 0.00 C ATOM 444 O LYS A 30 11.525 2.800 -2.230 1.00 0.00 O ATOM 445 CB LYS A 30 11.529 2.668 0.794 1.00 0.00 C ATOM 446 CG LYS A 30 12.970 3.006 1.185 1.00 0.00 C ATOM 447 CD LYS A 30 12.992 3.463 2.639 1.00 0.00 C ATOM 448 CE LYS A 30 12.168 4.738 2.810 1.00 0.00 C ATOM 449 NZ LYS A 30 12.150 5.183 4.218 1.00 0.00 N ATOM 0 H LYS A 30 12.645 0.581 1.237 1.00 0.00 H new ATOM 0 HA LYS A 30 10.433 1.257 -0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.052 3.549 0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.963 2.400 1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.611 2.134 1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.362 3.790 0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.594 2.676 3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.020 3.642 2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.582 5.527 2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.148 4.562 2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.625 6.078 4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.687 4.460 4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.125 5.325 4.550 1.00 0.00 H new ATOM 463 N SER A 31 13.160 1.270 -1.962 1.00 0.00 N ATOM 464 CA SER A 31 13.776 1.467 -3.265 1.00 0.00 C ATOM 465 C SER A 31 13.349 0.362 -4.233 1.00 0.00 C ATOM 466 O SER A 31 13.776 0.350 -5.388 1.00 0.00 O ATOM 467 CB SER A 31 15.297 1.515 -3.115 1.00 0.00 C ATOM 468 OG SER A 31 15.661 2.545 -2.216 1.00 0.00 O ATOM 0 H SER A 31 13.647 0.589 -1.379 1.00 0.00 H new ATOM 0 HA SER A 31 13.440 2.417 -3.680 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.665 0.556 -2.751 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.761 1.687 -4.086 1.00 0.00 H new ATOM 0 HG SER A 31 16.636 2.569 -2.123 1.00 0.00 H new ATOM 474 N ASP A 32 12.509 -0.568 -3.768 1.00 0.00 N ATOM 475 CA ASP A 32 12.015 -1.683 -4.559 1.00 0.00 C ATOM 476 C ASP A 32 10.498 -1.604 -4.717 1.00 0.00 C ATOM 477 O ASP A 32 9.961 -1.979 -5.758 1.00 0.00 O ATOM 478 CB ASP A 32 12.407 -2.973 -3.841 1.00 0.00 C ATOM 479 CG ASP A 32 13.914 -3.200 -3.889 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.410 -3.553 -4.982 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.560 -3.016 -2.832 1.00 0.00 O ATOM 0 H ASP A 32 12.151 -0.561 -2.813 1.00 0.00 H new ATOM 0 HA ASP A 32 12.450 -1.655 -5.558 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.077 -2.928 -2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.895 -3.818 -4.302 1.00 0.00 H new ATOM 486 N VAL A 33 9.797 -1.113 -3.692 1.00 0.00 N ATOM 487 CA VAL A 33 8.347 -0.973 -3.750 1.00 0.00 C ATOM 488 C VAL A 33 7.986 0.048 -4.827 1.00 0.00 C ATOM 489 O VAL A 33 6.939 -0.057 -5.459 1.00 0.00 O ATOM 490 CB VAL A 33 7.834 -0.544 -2.373 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.333 -0.275 -2.398 1.00 0.00 C ATOM 492 CG2 VAL A 33 8.091 -1.644 -1.344 1.00 0.00 C ATOM 0 H VAL A 33 10.214 -0.807 -2.813 1.00 0.00 H new ATOM 0 HA VAL A 33 7.877 -1.921 -4.010 1.00 0.00 H new ATOM 0 HB VAL A 33 8.367 0.368 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.001 0.027 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.118 0.521 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.806 -1.181 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.721 -1.325 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.574 -2.554 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.161 -1.839 -1.279 1.00 0.00 H new ATOM 502 N GLU A 34 8.855 1.040 -5.042 1.00 0.00 N ATOM 503 CA GLU A 34 8.642 2.061 -6.061 1.00 0.00 C ATOM 504 C GLU A 34 9.009 1.553 -7.457 1.00 0.00 C ATOM 505 O GLU A 34 9.017 2.329 -8.411 1.00 0.00 O ATOM 506 CB GLU A 34 9.401 3.342 -5.705 1.00 0.00 C ATOM 507 CG GLU A 34 10.913 3.102 -5.645 1.00 0.00 C ATOM 508 CD GLU A 34 11.682 4.400 -5.379 1.00 0.00 C ATOM 509 OE1 GLU A 34 11.044 5.386 -4.948 1.00 0.00 O ATOM 510 OE2 GLU A 34 12.911 4.396 -5.612 1.00 0.00 O ATOM 0 H GLU A 34 9.721 1.154 -4.515 1.00 0.00 H new ATOM 0 HA GLU A 34 7.578 2.297 -6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.183 4.112 -6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.053 3.717 -4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.136 2.379 -4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.250 2.665 -6.585 1.00 0.00 H new ATOM 517 N ALA A 35 9.313 0.258 -7.578 1.00 0.00 N ATOM 518 CA ALA A 35 9.602 -0.380 -8.854 1.00 0.00 C ATOM 519 C ALA A 35 8.692 -1.591 -9.079 1.00 0.00 C ATOM 520 O ALA A 35 8.687 -2.162 -10.171 1.00 0.00 O ATOM 521 CB ALA A 35 11.077 -0.775 -8.888 1.00 0.00 C ATOM 0 H ALA A 35 9.364 -0.378 -6.782 1.00 0.00 H new ATOM 0 HA ALA A 35 9.404 0.321 -9.665 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.304 -1.254 -9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.695 0.116 -8.774 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.287 -1.469 -8.074 1.00 0.00 H new ATOM 527 N ILE A 36 7.926 -1.983 -8.053 1.00 0.00 N ATOM 528 CA ILE A 36 6.995 -3.101 -8.137 1.00 0.00 C ATOM 529 C ILE A 36 5.545 -2.611 -8.133 1.00 0.00 C ATOM 530 O ILE A 36 4.667 -3.271 -8.683 1.00 0.00 O ATOM 531 CB ILE A 36 7.264 -4.052 -6.965 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.691 -4.602 -7.064 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.255 -5.205 -6.963 1.00 0.00 C ATOM 534 CD1 ILE A 36 9.152 -5.213 -5.742 1.00 0.00 C ATOM 0 H ILE A 36 7.939 -1.528 -7.140 1.00 0.00 H new ATOM 0 HA ILE A 36 7.147 -3.633 -9.076 1.00 0.00 H new ATOM 0 HB ILE A 36 7.155 -3.499 -6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.737 -5.356 -7.850 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.371 -3.800 -7.352 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.463 -5.869 -6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.246 -4.805 -6.868 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.338 -5.763 -7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.168 -5.592 -5.851 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.131 -4.452 -4.962 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.487 -6.032 -5.468 1.00 0.00 H new ATOM 546 N PHE A 37 5.295 -1.453 -7.519 1.00 0.00 N ATOM 547 CA PHE A 37 3.962 -0.871 -7.445 1.00 0.00 C ATOM 548 C PHE A 37 3.818 0.286 -8.434 1.00 0.00 C ATOM 549 O PHE A 37 2.726 0.822 -8.604 1.00 0.00 O ATOM 550 CB PHE A 37 3.684 -0.437 -6.006 1.00 0.00 C ATOM 551 CG PHE A 37 3.469 -1.594 -5.055 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.569 -2.308 -4.561 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.170 -1.957 -4.671 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.374 -3.385 -3.689 1.00 0.00 C ATOM 555 CE2 PHE A 37 1.969 -3.037 -3.799 1.00 0.00 C ATOM 556 CZ PHE A 37 3.073 -3.748 -3.305 1.00 0.00 C ATOM 0 H PHE A 37 6.015 -0.895 -7.060 1.00 0.00 H new ATOM 0 HA PHE A 37 3.219 -1.616 -7.728 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.520 0.165 -5.649 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.801 0.202 -5.992 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.570 -2.026 -4.854 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.322 -1.404 -5.048 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.223 -3.936 -3.312 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.968 -3.320 -3.509 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.922 -4.576 -2.628 1.00 0.00 H new ATOM 566 N SER A 38 4.914 0.679 -9.090 1.00 0.00 N ATOM 567 CA SER A 38 4.902 1.773 -10.052 1.00 0.00 C ATOM 568 C SER A 38 4.252 1.354 -11.368 1.00 0.00 C ATOM 569 O SER A 38 3.922 2.198 -12.197 1.00 0.00 O ATOM 570 CB SER A 38 6.334 2.228 -10.305 1.00 0.00 C ATOM 571 OG SER A 38 7.105 1.139 -10.772 1.00 0.00 O ATOM 0 H SER A 38 5.829 0.246 -8.966 1.00 0.00 H new ATOM 0 HA SER A 38 4.314 2.592 -9.638 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.345 3.035 -11.038 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.767 2.625 -9.387 1.00 0.00 H new ATOM 0 HG SER A 38 8.025 1.435 -10.935 1.00 0.00 H new ATOM 577 N LYS A 39 4.065 0.046 -11.565 1.00 0.00 N ATOM 578 CA LYS A 39 3.450 -0.500 -12.765 1.00 0.00 C ATOM 579 C LYS A 39 1.921 -0.442 -12.706 1.00 0.00 C ATOM 580 O LYS A 39 1.264 -0.665 -13.722 1.00 0.00 O ATOM 581 CB LYS A 39 3.955 -1.926 -12.965 1.00 0.00 C ATOM 582 CG LYS A 39 3.461 -2.826 -11.833 1.00 0.00 C ATOM 583 CD LYS A 39 4.310 -4.094 -11.759 1.00 0.00 C ATOM 584 CE LYS A 39 4.191 -4.904 -13.051 1.00 0.00 C ATOM 585 NZ LYS A 39 4.991 -6.143 -12.982 1.00 0.00 N ATOM 0 H LYS A 39 4.340 -0.665 -10.887 1.00 0.00 H new ATOM 0 HA LYS A 39 3.736 0.110 -13.622 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.607 -2.311 -13.923 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.045 -1.933 -12.995 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.510 -2.291 -10.885 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.416 -3.088 -11.997 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.353 -3.829 -11.585 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.991 -4.702 -10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.145 -5.153 -13.232 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.525 -4.299 -13.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.890 -6.671 -13.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.992 -5.902 -12.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.655 -6.730 -12.192 1.00 0.00 H new ATOM 599 N TYR A 40 1.354 -0.145 -11.531 1.00 0.00 N ATOM 600 CA TYR A 40 -0.092 -0.024 -11.368 1.00 0.00 C ATOM 601 C TYR A 40 -0.514 1.438 -11.213 1.00 0.00 C ATOM 602 O TYR A 40 -1.692 1.765 -11.360 1.00 0.00 O ATOM 603 CB TYR A 40 -0.537 -0.859 -10.171 1.00 0.00 C ATOM 604 CG TYR A 40 -0.103 -2.301 -10.272 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.758 -3.173 -11.157 1.00 0.00 C ATOM 606 CD2 TYR A 40 0.963 -2.761 -9.490 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.340 -4.507 -11.265 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.392 -4.088 -9.603 1.00 0.00 C ATOM 609 CZ TYR A 40 0.740 -4.970 -10.489 1.00 0.00 C ATOM 610 OH TYR A 40 1.149 -6.267 -10.594 1.00 0.00 O ATOM 0 H TYR A 40 1.884 0.016 -10.674 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.582 -0.402 -12.265 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.129 -0.424 -9.258 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.623 -0.816 -10.087 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.584 -2.816 -11.754 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.454 -2.092 -8.799 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.846 -5.179 -11.943 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.224 -4.437 -9.010 1.00 0.00 H new ATOM 0 HH TYR A 40 1.566 -6.548 -9.753 1.00 0.00 H new ATOM 620 N GLY A 41 0.443 2.322 -10.926 1.00 0.00 N ATOM 621 CA GLY A 41 0.176 3.749 -10.869 1.00 0.00 C ATOM 622 C GLY A 41 1.448 4.556 -10.657 1.00 0.00 C ATOM 623 O GLY A 41 2.469 4.021 -10.223 1.00 0.00 O ATOM 0 H GLY A 41 1.411 2.068 -10.730 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.305 4.066 -11.795 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.524 3.955 -10.059 1.00 0.00 H new ATOM 627 N LYS A 42 1.382 5.854 -10.960 1.00 0.00 N ATOM 628 CA LYS A 42 2.492 6.767 -10.762 1.00 0.00 C ATOM 629 C LYS A 42 2.651 7.038 -9.272 1.00 0.00 C ATOM 630 O LYS A 42 1.771 7.634 -8.652 1.00 0.00 O ATOM 631 CB LYS A 42 2.205 8.048 -11.551 1.00 0.00 C ATOM 632 CG LYS A 42 3.180 9.168 -11.193 1.00 0.00 C ATOM 633 CD LYS A 42 2.891 10.392 -12.062 1.00 0.00 C ATOM 634 CE LYS A 42 3.650 11.592 -11.506 1.00 0.00 C ATOM 635 NZ LYS A 42 3.451 12.788 -12.346 1.00 0.00 N ATOM 0 H LYS A 42 0.550 6.296 -11.351 1.00 0.00 H new ATOM 0 HA LYS A 42 3.428 6.342 -11.123 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.269 7.839 -12.619 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.185 8.377 -11.351 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.083 9.426 -10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.206 8.834 -11.346 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.193 10.201 -13.092 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.821 10.598 -12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.314 11.799 -10.490 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.713 11.358 -11.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.979 13.588 -11.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.794 12.597 -13.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.439 13.024 -12.380 1.00 0.00 H new ATOM 649 N ILE A 43 3.777 6.597 -8.707 1.00 0.00 N ATOM 650 CA ILE A 43 4.041 6.753 -7.286 1.00 0.00 C ATOM 651 C ILE A 43 4.607 8.144 -7.023 1.00 0.00 C ATOM 652 O ILE A 43 5.555 8.568 -7.683 1.00 0.00 O ATOM 653 CB ILE A 43 4.965 5.627 -6.802 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.233 4.290 -6.978 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.337 5.814 -5.331 1.00 0.00 C ATOM 656 CD1 ILE A 43 5.094 3.089 -6.586 1.00 0.00 C ATOM 0 H ILE A 43 4.522 6.127 -9.221 1.00 0.00 H new ATOM 0 HA ILE A 43 3.117 6.670 -6.714 1.00 0.00 H new ATOM 0 HB ILE A 43 5.884 5.644 -7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.326 4.295 -6.373 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.922 4.185 -8.017 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.992 5.002 -5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.852 6.766 -5.204 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.432 5.807 -4.723 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.525 2.171 -6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.988 3.064 -7.209 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.383 3.175 -5.539 1.00 0.00 H new ATOM 668 N VAL A 44 4.019 8.850 -6.051 1.00 0.00 N ATOM 669 CA VAL A 44 4.454 10.189 -5.664 1.00 0.00 C ATOM 670 C VAL A 44 5.125 10.158 -4.293 1.00 0.00 C ATOM 671 O VAL A 44 5.642 11.173 -3.833 1.00 0.00 O ATOM 672 CB VAL A 44 3.268 11.164 -5.683 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.670 11.249 -7.087 1.00 0.00 C ATOM 674 CG2 VAL A 44 2.178 10.731 -4.703 1.00 0.00 C ATOM 0 H VAL A 44 3.226 8.504 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 44 5.189 10.541 -6.387 1.00 0.00 H new ATOM 0 HB VAL A 44 3.644 12.142 -5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.830 11.944 -7.083 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.429 11.601 -7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.323 10.263 -7.395 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.352 11.442 -4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.816 9.740 -4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.587 10.703 -3.693 1.00 0.00 H new ATOM 684 N GLY A 45 5.116 8.988 -3.646 1.00 0.00 N ATOM 685 CA GLY A 45 5.763 8.780 -2.362 1.00 0.00 C ATOM 686 C GLY A 45 5.709 7.305 -1.991 1.00 0.00 C ATOM 687 O GLY A 45 4.762 6.610 -2.343 1.00 0.00 O ATOM 0 H GLY A 45 4.653 8.155 -4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.799 9.115 -2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.269 9.376 -1.595 1.00 0.00 H new ATOM 691 N CYS A 46 6.728 6.823 -1.283 1.00 0.00 N ATOM 692 CA CYS A 46 6.792 5.438 -0.853 1.00 0.00 C ATOM 693 C CYS A 46 7.620 5.328 0.422 1.00 0.00 C ATOM 694 O CYS A 46 8.585 6.069 0.611 1.00 0.00 O ATOM 695 CB CYS A 46 7.408 4.593 -1.969 1.00 0.00 C ATOM 696 SG CYS A 46 7.438 2.853 -1.463 1.00 0.00 S ATOM 0 H CYS A 46 7.529 7.385 -0.994 1.00 0.00 H new ATOM 0 HA CYS A 46 5.788 5.071 -0.642 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.830 4.706 -2.886 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.419 4.938 -2.185 1.00 0.00 H new ATOM 0 HG CYS A 46 6.433 2.613 -0.674 1.00 0.00 H new ATOM 702 N SER A 47 7.238 4.397 1.296 1.00 0.00 N ATOM 703 CA SER A 47 7.961 4.135 2.527 1.00 0.00 C ATOM 704 C SER A 47 7.820 2.667 2.904 1.00 0.00 C ATOM 705 O SER A 47 6.791 2.043 2.647 1.00 0.00 O ATOM 706 CB SER A 47 7.435 5.042 3.639 1.00 0.00 C ATOM 707 OG SER A 47 6.093 4.721 3.936 1.00 0.00 O ATOM 0 H SER A 47 6.417 3.806 1.165 1.00 0.00 H new ATOM 0 HA SER A 47 9.020 4.351 2.383 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.050 4.929 4.532 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.508 6.085 3.332 1.00 0.00 H new ATOM 0 HG SER A 47 6.054 4.232 4.784 1.00 0.00 H new ATOM 713 N VAL A 48 8.864 2.114 3.520 1.00 0.00 N ATOM 714 CA VAL A 48 8.853 0.748 4.028 1.00 0.00 C ATOM 715 C VAL A 48 9.204 0.763 5.509 1.00 0.00 C ATOM 716 O VAL A 48 9.985 1.600 5.962 1.00 0.00 O ATOM 717 CB VAL A 48 9.810 -0.136 3.221 1.00 0.00 C ATOM 718 CG1 VAL A 48 9.894 -1.551 3.800 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.308 -0.233 1.782 1.00 0.00 C ATOM 0 H VAL A 48 9.744 2.605 3.680 1.00 0.00 H new ATOM 0 HA VAL A 48 7.857 0.320 3.915 1.00 0.00 H new ATOM 0 HB VAL A 48 10.801 0.317 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.582 -2.149 3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.255 -1.503 4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.906 -2.010 3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.985 -0.861 1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.310 -0.671 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.271 0.763 1.342 1.00 0.00 H new ATOM 729 N HIS A 49 8.615 -0.173 6.251 1.00 0.00 N ATOM 730 CA HIS A 49 8.751 -0.278 7.690 1.00 0.00 C ATOM 731 C HIS A 49 8.966 -1.746 8.044 1.00 0.00 C ATOM 732 O HIS A 49 9.244 -2.551 7.158 1.00 0.00 O ATOM 733 CB HIS A 49 7.482 0.289 8.329 1.00 0.00 C ATOM 734 CG HIS A 49 7.142 1.671 7.822 1.00 0.00 C ATOM 735 ND1 HIS A 49 7.454 2.869 8.467 1.00 0.00 N ATOM 736 CD2 HIS A 49 6.487 1.947 6.655 1.00 0.00 C ATOM 737 CE1 HIS A 49 6.982 3.838 7.663 1.00 0.00 C ATOM 738 NE2 HIS A 49 6.399 3.314 6.572 1.00 0.00 N ATOM 0 H HIS A 49 8.016 -0.895 5.851 1.00 0.00 H new ATOM 0 HA HIS A 49 9.604 0.288 8.064 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.647 -0.383 8.128 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.609 0.324 9.411 1.00 0.00 H new ATOM 0 HD1 HIS A 49 7.937 2.985 9.358 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.112 1.231 5.939 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.061 4.896 7.867 1.00 0.00 H new ATOM 746 N LYS A 50 8.845 -2.116 9.320 1.00 0.00 N ATOM 747 CA LYS A 50 8.984 -3.512 9.712 1.00 0.00 C ATOM 748 C LYS A 50 7.642 -4.223 9.595 1.00 0.00 C ATOM 749 O LYS A 50 6.685 -3.879 10.290 1.00 0.00 O ATOM 750 CB LYS A 50 9.547 -3.607 11.132 1.00 0.00 C ATOM 751 CG LYS A 50 10.933 -2.971 11.257 1.00 0.00 C ATOM 752 CD LYS A 50 11.962 -3.673 10.367 1.00 0.00 C ATOM 753 CE LYS A 50 13.342 -3.056 10.601 1.00 0.00 C ATOM 754 NZ LYS A 50 14.367 -3.710 9.765 1.00 0.00 N ATOM 0 H LYS A 50 8.653 -1.474 10.089 1.00 0.00 H new ATOM 0 HA LYS A 50 9.686 -4.007 9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.862 -3.117 11.824 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.604 -4.655 11.428 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.875 -1.917 10.985 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.261 -3.014 12.296 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.986 -4.739 10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.680 -3.574 9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.310 -1.990 10.375 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.612 -3.151 11.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.293 -3.271 9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.412 -4.722 9.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.119 -3.598 8.761 1.00 0.00 H new ATOM 768 N GLY A 51 7.573 -5.218 8.713 1.00 0.00 N ATOM 769 CA GLY A 51 6.384 -6.031 8.499 1.00 0.00 C ATOM 770 C GLY A 51 5.342 -5.367 7.597 1.00 0.00 C ATOM 771 O GLY A 51 4.377 -6.021 7.207 1.00 0.00 O ATOM 0 H GLY A 51 8.357 -5.484 8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.680 -6.983 8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.928 -6.254 9.464 1.00 0.00 H new ATOM 775 N PHE A 52 5.507 -4.082 7.257 1.00 0.00 N ATOM 776 CA PHE A 52 4.571 -3.389 6.381 1.00 0.00 C ATOM 777 C PHE A 52 5.263 -2.293 5.569 1.00 0.00 C ATOM 778 O PHE A 52 6.405 -1.929 5.843 1.00 0.00 O ATOM 779 CB PHE A 52 3.424 -2.783 7.192 1.00 0.00 C ATOM 780 CG PHE A 52 3.842 -1.713 8.171 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.286 -2.064 9.452 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.785 -0.363 7.797 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.672 -1.070 10.361 1.00 0.00 C ATOM 784 CE2 PHE A 52 4.173 0.632 8.704 1.00 0.00 C ATOM 785 CZ PHE A 52 4.621 0.278 9.985 1.00 0.00 C ATOM 0 H PHE A 52 6.284 -3.505 7.580 1.00 0.00 H new ATOM 0 HA PHE A 52 4.171 -4.127 5.686 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.693 -2.360 6.503 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.922 -3.581 7.739 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.331 -3.104 9.740 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.442 -0.090 6.810 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.008 -1.343 11.350 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.127 1.672 8.417 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.927 1.045 10.681 1.00 0.00 H new ATOM 795 N ALA A 53 4.550 -1.772 4.570 1.00 0.00 N ATOM 796 CA ALA A 53 5.007 -0.671 3.736 1.00 0.00 C ATOM 797 C ALA A 53 3.816 0.171 3.277 1.00 0.00 C ATOM 798 O ALA A 53 2.664 -0.215 3.477 1.00 0.00 O ATOM 799 CB ALA A 53 5.770 -1.229 2.535 1.00 0.00 C ATOM 0 H ALA A 53 3.623 -2.113 4.317 1.00 0.00 H new ATOM 0 HA ALA A 53 5.674 -0.029 4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.114 -0.406 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.629 -1.803 2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.112 -1.877 1.955 1.00 0.00 H new ATOM 805 N PHE A 54 4.098 1.322 2.664 1.00 0.00 N ATOM 806 CA PHE A 54 3.088 2.233 2.152 1.00 0.00 C ATOM 807 C PHE A 54 3.504 2.776 0.786 1.00 0.00 C ATOM 808 O PHE A 54 4.688 2.985 0.522 1.00 0.00 O ATOM 809 CB PHE A 54 2.864 3.373 3.150 1.00 0.00 C ATOM 810 CG PHE A 54 1.874 3.037 4.236 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.510 2.981 3.925 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.307 2.795 5.551 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.426 2.688 4.925 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.370 2.492 6.547 1.00 0.00 C ATOM 815 CZ PHE A 54 0.007 2.443 6.233 1.00 0.00 C ATOM 0 H PHE A 54 5.052 1.647 2.510 1.00 0.00 H new ATOM 0 HA PHE A 54 2.150 1.693 2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.817 3.637 3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.515 4.254 2.611 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.179 3.164 2.913 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.359 2.843 5.793 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.479 2.651 4.687 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.699 2.296 7.557 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.714 2.215 7.004 1.00 0.00 H new ATOM 825 N VAL A 55 2.515 3.005 -0.082 1.00 0.00 N ATOM 826 CA VAL A 55 2.721 3.564 -1.410 1.00 0.00 C ATOM 827 C VAL A 55 1.680 4.642 -1.655 1.00 0.00 C ATOM 828 O VAL A 55 0.510 4.455 -1.338 1.00 0.00 O ATOM 829 CB VAL A 55 2.618 2.472 -2.479 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.738 3.071 -3.880 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.748 1.465 -2.300 1.00 0.00 C ATOM 0 H VAL A 55 1.537 2.803 0.126 1.00 0.00 H new ATOM 0 HA VAL A 55 3.720 3.996 -1.469 1.00 0.00 H new ATOM 0 HB VAL A 55 1.648 1.987 -2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.662 2.277 -4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.936 3.793 -4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.701 3.571 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.670 0.691 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.707 1.974 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.676 1.010 -1.312 1.00 0.00 H new ATOM 841 N GLN A 56 2.111 5.768 -2.225 1.00 0.00 N ATOM 842 CA GLN A 56 1.253 6.912 -2.458 1.00 0.00 C ATOM 843 C GLN A 56 1.132 7.154 -3.958 1.00 0.00 C ATOM 844 O GLN A 56 2.148 7.243 -4.649 1.00 0.00 O ATOM 845 CB GLN A 56 1.868 8.111 -1.730 1.00 0.00 C ATOM 846 CG GLN A 56 0.956 9.336 -1.731 1.00 0.00 C ATOM 847 CD GLN A 56 -0.234 9.144 -0.805 1.00 0.00 C ATOM 848 OE1 GLN A 56 -0.075 9.004 0.405 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.433 9.137 -1.369 1.00 0.00 N ATOM 0 H GLN A 56 3.072 5.905 -2.537 1.00 0.00 H new ATOM 0 HA GLN A 56 0.246 6.745 -2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.090 7.830 -0.701 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.816 8.369 -2.202 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.523 10.213 -1.420 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.603 9.527 -2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.523 9.257 -2.378 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.266 9.012 -0.794 1.00 0.00 H new ATOM 858 N TYR A 57 -0.099 7.263 -4.459 1.00 0.00 N ATOM 859 CA TYR A 57 -0.374 7.488 -5.869 1.00 0.00 C ATOM 860 C TYR A 57 -0.960 8.877 -6.094 1.00 0.00 C ATOM 861 O TYR A 57 -1.214 9.619 -5.147 1.00 0.00 O ATOM 862 CB TYR A 57 -1.343 6.423 -6.384 1.00 0.00 C ATOM 863 CG TYR A 57 -0.770 5.028 -6.453 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.400 4.799 -7.187 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.407 3.965 -5.797 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.937 3.508 -7.276 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.869 2.672 -5.873 1.00 0.00 C ATOM 868 CZ TYR A 57 0.300 2.441 -6.621 1.00 0.00 C ATOM 869 OH TYR A 57 0.812 1.186 -6.712 1.00 0.00 O ATOM 0 H TYR A 57 -0.940 7.196 -3.886 1.00 0.00 H new ATOM 0 HA TYR A 57 0.565 7.420 -6.419 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.222 6.409 -5.739 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.683 6.711 -7.379 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.891 5.621 -7.687 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.311 4.142 -5.234 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.838 3.334 -7.846 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.352 1.855 -5.358 1.00 0.00 H new ATOM 0 HH TYR A 57 1.512 1.167 -7.398 1.00 0.00 H new ATOM 879 N VAL A 58 -1.174 9.223 -7.367 1.00 0.00 N ATOM 880 CA VAL A 58 -1.746 10.504 -7.749 1.00 0.00 C ATOM 881 C VAL A 58 -3.237 10.545 -7.415 1.00 0.00 C ATOM 882 O VAL A 58 -3.769 11.615 -7.130 1.00 0.00 O ATOM 883 CB VAL A 58 -1.506 10.730 -9.246 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.242 11.971 -9.753 1.00 0.00 C ATOM 885 CG2 VAL A 58 -0.013 10.914 -9.509 1.00 0.00 C ATOM 0 H VAL A 58 -0.953 8.618 -8.158 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.264 11.305 -7.188 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.885 9.855 -9.774 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.048 12.099 -10.818 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.313 11.850 -9.591 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.890 12.849 -9.212 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.152 11.074 -10.575 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.351 11.777 -8.952 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.525 10.022 -9.189 1.00 0.00 H new ATOM 895 N ASN A 59 -3.923 9.395 -7.441 1.00 0.00 N ATOM 896 CA ASN A 59 -5.334 9.348 -7.091 1.00 0.00 C ATOM 897 C ASN A 59 -5.773 7.954 -6.641 1.00 0.00 C ATOM 898 O ASN A 59 -5.036 6.982 -6.783 1.00 0.00 O ATOM 899 CB ASN A 59 -6.180 9.852 -8.264 1.00 0.00 C ATOM 900 CG ASN A 59 -6.601 8.761 -9.228 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.791 8.503 -9.375 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.647 8.112 -9.886 1.00 0.00 N ATOM 0 H ASN A 59 -3.520 8.494 -7.700 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.491 10.007 -6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.072 10.342 -7.873 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.615 10.608 -8.809 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.893 7.370 -10.541 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.668 8.356 -9.736 1.00 0.00 H new ATOM 909 N GLU A 60 -6.989 7.867 -6.093 1.00 0.00 N ATOM 910 CA GLU A 60 -7.545 6.625 -5.577 1.00 0.00 C ATOM 911 C GLU A 60 -7.626 5.545 -6.653 1.00 0.00 C ATOM 912 O GLU A 60 -7.496 4.367 -6.338 1.00 0.00 O ATOM 913 CB GLU A 60 -8.930 6.927 -5.000 1.00 0.00 C ATOM 914 CG GLU A 60 -9.593 5.672 -4.424 1.00 0.00 C ATOM 915 CD GLU A 60 -10.988 5.958 -3.876 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.214 7.098 -3.407 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.824 5.028 -3.927 1.00 0.00 O ATOM 0 H GLU A 60 -7.615 8.666 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.889 6.234 -4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.841 7.682 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.565 7.348 -5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.658 4.909 -5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.968 5.265 -3.629 1.00 0.00 H new ATOM 924 N ARG A 61 -7.835 5.911 -7.924 1.00 0.00 N ATOM 925 CA ARG A 61 -7.938 4.914 -8.988 1.00 0.00 C ATOM 926 C ARG A 61 -6.655 4.091 -9.066 1.00 0.00 C ATOM 927 O ARG A 61 -6.698 2.885 -9.290 1.00 0.00 O ATOM 928 CB ARG A 61 -8.225 5.623 -10.312 1.00 0.00 C ATOM 929 CG ARG A 61 -8.071 4.704 -11.529 1.00 0.00 C ATOM 930 CD ARG A 61 -8.920 3.441 -11.406 1.00 0.00 C ATOM 931 NE ARG A 61 -10.349 3.759 -11.342 1.00 0.00 N ATOM 932 CZ ARG A 61 -11.304 2.867 -11.069 1.00 0.00 C ATOM 933 NH1 ARG A 61 -10.998 1.591 -10.846 1.00 0.00 N ATOM 934 NH2 ARG A 61 -12.577 3.249 -11.016 1.00 0.00 N ATOM 0 H ARG A 61 -7.934 6.878 -8.234 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.757 4.227 -8.774 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.239 6.023 -10.291 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.550 6.472 -10.417 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.357 5.246 -12.430 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.023 4.426 -11.643 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.729 2.789 -12.258 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.628 2.891 -10.511 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.632 4.723 -11.517 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.025 1.286 -10.883 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.736 0.918 -10.638 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.824 4.224 -11.184 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.306 2.567 -10.807 1.00 0.00 H new ATOM 948 N ASN A 62 -5.506 4.739 -8.880 1.00 0.00 N ATOM 949 CA ASN A 62 -4.237 4.036 -8.934 1.00 0.00 C ATOM 950 C ASN A 62 -4.069 3.125 -7.723 1.00 0.00 C ATOM 951 O ASN A 62 -3.352 2.129 -7.792 1.00 0.00 O ATOM 952 CB ASN A 62 -3.115 5.065 -9.003 1.00 0.00 C ATOM 953 CG ASN A 62 -3.022 5.681 -10.389 1.00 0.00 C ATOM 954 OD1 ASN A 62 -3.133 6.891 -10.548 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.817 4.845 -11.401 1.00 0.00 N ATOM 0 H ASN A 62 -5.433 5.739 -8.693 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.206 3.402 -9.820 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.289 5.848 -8.265 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.167 4.592 -8.748 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.746 5.204 -12.353 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.730 3.844 -11.226 1.00 0.00 H new ATOM 962 N ALA A 63 -4.731 3.455 -6.611 1.00 0.00 N ATOM 963 CA ALA A 63 -4.670 2.638 -5.410 1.00 0.00 C ATOM 964 C ALA A 63 -5.518 1.381 -5.589 1.00 0.00 C ATOM 965 O ALA A 63 -5.160 0.316 -5.093 1.00 0.00 O ATOM 966 CB ALA A 63 -5.145 3.460 -4.213 1.00 0.00 C ATOM 0 H ALA A 63 -5.316 4.286 -6.524 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.642 2.325 -5.229 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.100 2.849 -3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.503 4.332 -4.093 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.172 3.786 -4.380 1.00 0.00 H new ATOM 972 N ARG A 64 -6.643 1.497 -6.300 1.00 0.00 N ATOM 973 CA ARG A 64 -7.510 0.348 -6.556 1.00 0.00 C ATOM 974 C ARG A 64 -6.827 -0.627 -7.510 1.00 0.00 C ATOM 975 O ARG A 64 -7.107 -1.823 -7.473 1.00 0.00 O ATOM 976 CB ARG A 64 -8.834 0.814 -7.173 1.00 0.00 C ATOM 977 CG ARG A 64 -9.628 1.769 -6.279 1.00 0.00 C ATOM 978 CD ARG A 64 -10.059 1.125 -4.961 1.00 0.00 C ATOM 979 NE ARG A 64 -10.857 2.073 -4.179 1.00 0.00 N ATOM 980 CZ ARG A 64 -11.416 1.806 -2.996 1.00 0.00 C ATOM 981 NH1 ARG A 64 -11.290 0.611 -2.424 1.00 0.00 N ATOM 982 NH2 ARG A 64 -12.114 2.748 -2.375 1.00 0.00 N ATOM 0 H ARG A 64 -6.972 2.373 -6.707 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.707 -0.153 -5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.628 1.307 -8.123 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.449 -0.059 -7.393 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.022 2.650 -6.067 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.512 2.113 -6.817 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.640 0.224 -5.159 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.181 0.819 -4.392 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.996 3.006 -4.567 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.758 -0.124 -2.890 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.726 0.430 -1.520 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.221 3.668 -2.801 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.544 2.552 -1.471 1.00 0.00 H new ATOM 996 N ALA A 65 -5.931 -0.124 -8.366 1.00 0.00 N ATOM 997 CA ALA A 65 -5.245 -0.969 -9.330 1.00 0.00 C ATOM 998 C ALA A 65 -4.113 -1.748 -8.662 1.00 0.00 C ATOM 999 O ALA A 65 -3.822 -2.877 -9.056 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.722 -0.081 -10.462 1.00 0.00 C ATOM 0 H ALA A 65 -5.669 0.861 -8.406 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.936 -1.706 -9.738 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.203 -0.696 -11.197 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.558 0.429 -10.941 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.032 0.658 -10.055 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.471 -1.159 -7.648 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.385 -1.828 -6.950 1.00 0.00 C ATOM 1008 C ALA A 66 -2.909 -2.764 -5.861 1.00 0.00 C ATOM 1009 O ALA A 66 -2.321 -3.815 -5.616 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.473 -0.756 -6.374 1.00 0.00 C ATOM 0 H ALA A 66 -3.688 -0.226 -7.299 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.828 -2.456 -7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.647 -1.228 -5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.080 -0.140 -7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.038 -0.130 -5.683 1.00 0.00 H new ATOM 1016 N VAL A 67 -4.012 -2.394 -5.206 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.653 -3.252 -4.218 1.00 0.00 C ATOM 1018 C VAL A 67 -5.199 -4.506 -4.892 1.00 0.00 C ATOM 1019 O VAL A 67 -5.237 -5.567 -4.274 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.770 -2.470 -3.527 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.669 -3.380 -2.688 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.169 -1.422 -2.593 1.00 0.00 C ATOM 0 H VAL A 67 -4.479 -1.498 -5.347 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.925 -3.564 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.365 -2.004 -4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.449 -2.784 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.127 -4.132 -3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.073 -3.873 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.970 -0.868 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.556 -1.916 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.551 -0.733 -3.169 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.619 -4.399 -6.155 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.114 -5.550 -6.896 1.00 0.00 C ATOM 1034 C ALA A 68 -5.024 -6.199 -7.751 1.00 0.00 C ATOM 1035 O ALA A 68 -5.242 -7.280 -8.301 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.299 -5.112 -7.752 1.00 0.00 C ATOM 0 H ALA A 68 -5.624 -3.525 -6.681 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.435 -6.311 -6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.679 -5.966 -8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.087 -4.720 -7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.979 -4.336 -8.447 1.00 0.00 H new ATOM 1042 N GLY A 69 -3.856 -5.558 -7.875 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.766 -6.067 -8.698 1.00 0.00 C ATOM 1044 C GLY A 69 -1.648 -6.741 -7.901 1.00 0.00 C ATOM 1045 O GLY A 69 -0.821 -7.435 -8.492 1.00 0.00 O ATOM 0 H GLY A 69 -3.646 -4.676 -7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.169 -6.782 -9.415 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.343 -5.243 -9.273 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.602 -6.551 -6.577 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.501 -7.046 -5.754 1.00 0.00 C ATOM 1051 C GLU A 70 -0.991 -7.776 -4.504 1.00 0.00 C ATOM 1052 O GLU A 70 -0.237 -8.545 -3.911 1.00 0.00 O ATOM 1053 CB GLU A 70 0.380 -5.861 -5.346 1.00 0.00 C ATOM 1054 CG GLU A 70 1.185 -5.314 -6.527 1.00 0.00 C ATOM 1055 CD GLU A 70 2.334 -6.252 -6.892 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.238 -6.403 -6.043 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.312 -6.816 -8.011 1.00 0.00 O ATOM 0 H GLU A 70 -2.322 -6.054 -6.053 1.00 0.00 H new ATOM 0 HA GLU A 70 0.065 -7.766 -6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.245 -5.068 -4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.062 -6.172 -4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.530 -5.184 -7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.581 -4.330 -6.276 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.237 -7.568 -4.077 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.748 -8.275 -2.913 1.00 0.00 C ATOM 1066 C ASP A 71 -2.737 -9.780 -3.180 1.00 0.00 C ATOM 1067 O ASP A 71 -3.410 -10.257 -4.092 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.163 -7.793 -2.595 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.748 -8.546 -1.405 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -4.023 -8.679 -0.394 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -5.918 -8.980 -1.518 1.00 0.00 O ATOM 0 H ASP A 71 -2.898 -6.926 -4.514 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.111 -8.069 -2.052 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.146 -6.725 -2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.802 -7.933 -3.467 1.00 0.00 H new ATOM 1076 N GLY A 72 -1.970 -10.532 -2.383 1.00 0.00 N ATOM 1077 CA GLY A 72 -1.898 -11.976 -2.532 1.00 0.00 C ATOM 1078 C GLY A 72 -0.825 -12.376 -3.536 1.00 0.00 C ATOM 1079 O GLY A 72 -0.739 -13.542 -3.918 1.00 0.00 O ATOM 0 H GLY A 72 -1.393 -10.157 -1.630 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.684 -12.433 -1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.865 -12.359 -2.858 1.00 0.00 H new ATOM 1083 N ARG A 73 -0.004 -11.411 -3.959 1.00 0.00 N ATOM 1084 CA ARG A 73 1.163 -11.687 -4.776 1.00 0.00 C ATOM 1085 C ARG A 73 2.217 -12.269 -3.846 1.00 0.00 C ATOM 1086 O ARG A 73 2.044 -12.237 -2.627 1.00 0.00 O ATOM 1087 CB ARG A 73 1.624 -10.413 -5.484 1.00 0.00 C ATOM 1088 CG ARG A 73 2.379 -9.478 -4.535 1.00 0.00 C ATOM 1089 CD ARG A 73 3.883 -9.544 -4.803 1.00 0.00 C ATOM 1090 NE ARG A 73 4.185 -8.955 -6.110 1.00 0.00 N ATOM 1091 CZ ARG A 73 5.051 -9.422 -7.013 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.774 -10.517 -6.787 1.00 0.00 N ATOM 1093 NH2 ARG A 73 5.194 -8.779 -8.165 1.00 0.00 N ATOM 0 H ARG A 73 -0.135 -10.423 -3.742 1.00 0.00 H new ATOM 0 HA ARG A 73 0.951 -12.403 -5.570 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.267 -10.676 -6.324 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.759 -9.893 -5.896 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.025 -8.455 -4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.175 -9.757 -3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.424 -9.011 -4.021 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.221 -10.580 -4.775 1.00 0.00 H new ATOM 0 HE ARG A 73 3.683 -8.102 -6.355 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.674 -11.022 -5.906 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.428 -10.851 -7.495 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.646 -7.939 -8.352 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.852 -9.125 -8.864 1.00 0.00 H new ATOM 1107 N MET A 74 3.303 -12.800 -4.390 1.00 0.00 N ATOM 1108 CA MET A 74 4.315 -13.435 -3.570 1.00 0.00 C ATOM 1109 C MET A 74 5.603 -12.637 -3.673 1.00 0.00 C ATOM 1110 O MET A 74 6.148 -12.474 -4.763 1.00 0.00 O ATOM 1111 CB MET A 74 4.477 -14.890 -3.999 1.00 0.00 C ATOM 1112 CG MET A 74 5.379 -15.631 -3.013 1.00 0.00 C ATOM 1113 SD MET A 74 5.140 -17.424 -3.033 1.00 0.00 S ATOM 1114 CE MET A 74 3.489 -17.490 -2.288 1.00 0.00 C ATOM 0 H MET A 74 3.502 -12.802 -5.390 1.00 0.00 H new ATOM 0 HA MET A 74 4.021 -13.446 -2.520 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.502 -15.374 -4.046 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.905 -14.936 -5.001 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.420 -15.408 -3.245 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.190 -15.257 -2.007 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.532 -18.058 -1.359 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.144 -16.478 -2.079 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.798 -17.974 -2.978 1.00 0.00 H new ATOM 1124 N ILE A 75 6.081 -12.139 -2.533 1.00 0.00 N ATOM 1125 CA ILE A 75 7.307 -11.365 -2.486 1.00 0.00 C ATOM 1126 C ILE A 75 8.244 -11.957 -1.441 1.00 0.00 C ATOM 1127 O ILE A 75 7.817 -12.303 -0.342 1.00 0.00 O ATOM 1128 CB ILE A 75 6.963 -9.888 -2.258 1.00 0.00 C ATOM 1129 CG1 ILE A 75 7.234 -9.148 -3.572 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.759 -9.292 -1.092 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.855 -7.669 -3.509 1.00 0.00 C ATOM 0 H ILE A 75 5.629 -12.263 -1.627 1.00 0.00 H new ATOM 0 HA ILE A 75 7.844 -11.413 -3.434 1.00 0.00 H new ATOM 0 HB ILE A 75 5.915 -9.784 -1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.291 -9.237 -3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.675 -9.628 -4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.486 -8.245 -0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.532 -9.841 -0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.826 -9.366 -1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.069 -7.197 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.792 -7.575 -3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.433 -7.178 -2.726 1.00 0.00 H new ATOM 1143 N ALA A 76 9.527 -12.072 -1.788 1.00 0.00 N ATOM 1144 CA ALA A 76 10.526 -12.725 -0.957 1.00 0.00 C ATOM 1145 C ALA A 76 10.110 -14.151 -0.578 1.00 0.00 C ATOM 1146 O ALA A 76 10.642 -14.720 0.376 1.00 0.00 O ATOM 1147 CB ALA A 76 10.822 -11.864 0.266 1.00 0.00 C ATOM 0 H ALA A 76 9.900 -11.709 -2.665 1.00 0.00 H new ATOM 0 HA ALA A 76 11.446 -12.826 -1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.571 -12.357 0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.199 -10.893 -0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.908 -11.725 0.843 1.00 0.00 H new ATOM 1153 N GLY A 77 9.161 -14.732 -1.321 1.00 0.00 N ATOM 1154 CA GLY A 77 8.662 -16.069 -1.064 1.00 0.00 C ATOM 1155 C GLY A 77 7.495 -16.069 -0.078 1.00 0.00 C ATOM 1156 O GLY A 77 7.033 -17.135 0.323 1.00 0.00 O ATOM 0 H GLY A 77 8.721 -14.277 -2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.343 -16.523 -2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.469 -16.687 -0.670 1.00 0.00 H new ATOM 1160 N GLN A 78 7.015 -14.887 0.322 1.00 0.00 N ATOM 1161 CA GLN A 78 5.912 -14.758 1.258 1.00 0.00 C ATOM 1162 C GLN A 78 4.809 -13.874 0.666 1.00 0.00 C ATOM 1163 O GLN A 78 5.073 -12.811 0.113 1.00 0.00 O ATOM 1164 CB GLN A 78 6.488 -14.219 2.568 1.00 0.00 C ATOM 1165 CG GLN A 78 5.416 -13.854 3.598 1.00 0.00 C ATOM 1166 CD GLN A 78 5.502 -12.372 3.931 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.671 -11.995 5.087 1.00 0.00 O ATOM 1168 NE2 GLN A 78 5.390 -11.521 2.915 1.00 0.00 N ATOM 0 H GLN A 78 7.388 -13.994 -0.000 1.00 0.00 H new ATOM 0 HA GLN A 78 5.436 -15.718 1.457 1.00 0.00 H new ATOM 0 HB2 GLN A 78 7.155 -14.966 2.998 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.092 -13.337 2.355 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.427 -14.091 3.206 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.551 -14.447 4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.250 -11.873 1.968 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.444 -10.516 3.083 1.00 0.00 H new ATOM 1177 N VAL A 79 3.558 -14.329 0.792 1.00 0.00 N ATOM 1178 CA VAL A 79 2.374 -13.646 0.276 1.00 0.00 C ATOM 1179 C VAL A 79 2.187 -12.294 0.951 1.00 0.00 C ATOM 1180 O VAL A 79 2.428 -12.163 2.150 1.00 0.00 O ATOM 1181 CB VAL A 79 1.149 -14.532 0.536 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.126 -13.861 0.034 1.00 0.00 C ATOM 1183 CG2 VAL A 79 1.297 -15.878 -0.172 1.00 0.00 C ATOM 0 H VAL A 79 3.339 -15.204 1.268 1.00 0.00 H new ATOM 0 HA VAL A 79 2.497 -13.472 -0.793 1.00 0.00 H new ATOM 0 HB VAL A 79 1.082 -14.685 1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.980 -14.509 0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.265 -12.911 0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.045 -13.682 -1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.418 -16.491 0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.393 -15.716 -1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.186 -16.388 0.199 1.00 0.00 H new ATOM 1193 N LEU A 80 1.756 -11.284 0.191 1.00 0.00 N ATOM 1194 CA LEU A 80 1.457 -9.972 0.748 1.00 0.00 C ATOM 1195 C LEU A 80 -0.034 -9.816 1.023 1.00 0.00 C ATOM 1196 O LEU A 80 -0.862 -10.485 0.406 1.00 0.00 O ATOM 1197 CB LEU A 80 1.943 -8.862 -0.186 1.00 0.00 C ATOM 1198 CG LEU A 80 3.420 -8.995 -0.546 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.839 -7.733 -1.288 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.280 -9.138 0.708 1.00 0.00 C ATOM 0 H LEU A 80 1.607 -11.355 -0.816 1.00 0.00 H new ATOM 0 HA LEU A 80 1.988 -9.887 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.349 -8.876 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.775 -7.895 0.288 1.00 0.00 H new ATOM 0 HG LEU A 80 3.560 -9.884 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.893 -7.802 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.240 -7.627 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.685 -6.866 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.328 -9.231 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.153 -8.258 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.974 -10.027 1.259 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.371 -8.923 1.955 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.748 -8.560 2.249 1.00 0.00 C ATOM 1214 C ASP A 81 -1.877 -7.055 2.061 1.00 0.00 C ATOM 1215 O ASP A 81 -1.452 -6.267 2.906 1.00 0.00 O ATOM 1216 CB ASP A 81 -2.131 -9.008 3.661 1.00 0.00 C ATOM 1217 CG ASP A 81 -3.597 -8.691 3.950 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -4.464 -9.340 3.323 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -3.849 -7.805 4.796 1.00 0.00 O ATOM 0 H ASP A 81 0.314 -8.430 2.529 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.440 -9.064 1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.958 -10.079 3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.495 -8.508 4.391 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.468 -6.657 0.936 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.496 -5.265 0.510 1.00 0.00 C ATOM 1226 C ILE A 82 -3.932 -4.756 0.474 1.00 0.00 C ATOM 1227 O ILE A 82 -4.841 -5.467 0.049 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.787 -5.160 -0.841 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.309 -5.500 -0.615 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -1.914 -3.754 -1.442 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.367 -5.924 -1.906 1.00 0.00 C ATOM 0 H ILE A 82 -2.941 -7.294 0.295 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.967 -4.627 1.218 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.248 -5.851 -1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.206 -4.633 -0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.227 -6.301 0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.397 -3.720 -2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.967 -3.515 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.468 -3.027 -0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.413 -6.158 -1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.133 -6.806 -2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.307 -5.113 -2.632 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.136 -3.518 0.926 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.459 -2.933 1.048 1.00 0.00 C ATOM 1245 C ASN A 83 -5.362 -1.408 0.986 1.00 0.00 C ATOM 1246 O ASN A 83 -4.288 -0.847 1.195 1.00 0.00 O ATOM 1247 CB ASN A 83 -6.052 -3.401 2.380 1.00 0.00 C ATOM 1248 CG ASN A 83 -7.544 -3.134 2.477 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -8.356 -4.010 2.201 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -7.916 -1.920 2.871 1.00 0.00 N ATOM 0 H ASN A 83 -3.382 -2.896 1.217 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.105 -3.250 0.229 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.868 -4.469 2.501 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.541 -2.895 3.199 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.907 -1.691 2.952 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.211 -1.217 3.092 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.473 -0.723 0.707 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.523 0.727 0.755 1.00 0.00 C ATOM 1259 C LEU A 84 -6.181 1.195 2.174 1.00 0.00 C ATOM 1260 O LEU A 84 -6.516 0.519 3.144 1.00 0.00 O ATOM 1261 CB LEU A 84 -7.932 1.181 0.365 1.00 0.00 C ATOM 1262 CG LEU A 84 -7.897 2.576 -0.257 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -7.419 2.461 -1.701 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -9.290 3.189 -0.236 1.00 0.00 C ATOM 0 H LEU A 84 -7.355 -1.162 0.443 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.802 1.159 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.365 0.473 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.575 1.186 1.245 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.219 3.211 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.390 3.452 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.421 2.024 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.104 1.825 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.257 4.183 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.973 2.559 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.639 3.264 0.794 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.522 2.349 2.303 1.00 0.00 N ATOM 1277 CA ALA A 85 -5.106 2.861 3.599 1.00 0.00 C ATOM 1278 C ALA A 85 -6.255 3.486 4.400 1.00 0.00 C ATOM 1279 O ALA A 85 -6.013 3.994 5.493 1.00 0.00 O ATOM 1280 CB ALA A 85 -3.978 3.871 3.392 1.00 0.00 C ATOM 0 H ALA A 85 -5.266 2.946 1.516 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.756 2.017 4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.658 4.262 4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.137 3.381 2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.334 4.691 2.769 1.00 0.00 H new ATOM 1463 N LYS A 98 -8.774 -15.248 4.467 1.00 0.00 N ATOM 1464 CA LYS A 98 -9.520 -16.442 4.855 1.00 0.00 C ATOM 1465 C LYS A 98 -9.710 -17.380 3.662 1.00 0.00 C ATOM 1466 O LYS A 98 -10.524 -18.303 3.715 1.00 0.00 O ATOM 1467 CB LYS A 98 -10.867 -16.043 5.470 1.00 0.00 C ATOM 1468 CG LYS A 98 -10.728 -15.144 6.703 1.00 0.00 C ATOM 1469 CD LYS A 98 -9.976 -15.859 7.828 1.00 0.00 C ATOM 1470 CE LYS A 98 -9.908 -14.985 9.080 1.00 0.00 C ATOM 1471 NZ LYS A 98 -11.244 -14.772 9.667 1.00 0.00 N ATOM 0 HA LYS A 98 -8.946 -16.984 5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -11.463 -15.526 4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -11.414 -16.945 5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.199 -14.230 6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.717 -14.848 7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.474 -16.800 8.063 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.967 -16.106 7.497 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.257 -15.455 9.817 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.463 -14.022 8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.144 -14.385 10.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.779 -14.102 9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.753 -15.678 9.710 1.00 0.00 H new ATOM 1485 N ARG A 99 -8.959 -17.139 2.587 1.00 0.00 N ATOM 1486 CA ARG A 99 -9.010 -17.922 1.358 1.00 0.00 C ATOM 1487 C ARG A 99 -7.836 -18.899 1.338 1.00 0.00 C ATOM 1488 O ARG A 99 -7.013 -18.898 2.251 1.00 0.00 O ATOM 1489 CB ARG A 99 -8.998 -16.954 0.166 1.00 0.00 C ATOM 1490 CG ARG A 99 -9.492 -17.559 -1.151 1.00 0.00 C ATOM 1491 CD ARG A 99 -10.939 -18.044 -1.039 1.00 0.00 C ATOM 1492 NE ARG A 99 -11.411 -18.550 -2.333 1.00 0.00 N ATOM 1493 CZ ARG A 99 -12.668 -18.927 -2.587 1.00 0.00 C ATOM 1494 NH1 ARG A 99 -13.603 -18.865 -1.640 1.00 0.00 N ATOM 1495 NH2 ARG A 99 -12.995 -19.368 -3.798 1.00 0.00 N ATOM 0 H ARG A 99 -8.284 -16.376 2.549 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.922 -18.515 1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.618 -16.091 0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.982 -16.587 0.023 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.417 -16.816 -1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.849 -18.393 -1.433 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.009 -18.830 -0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.578 -17.227 -0.706 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.733 -18.619 -3.092 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.363 -18.527 -0.708 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.559 -19.156 -1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.287 -19.418 -4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.954 -19.656 -3.994 1.00 0.00 H new ATOM 1509 N SER A 100 -7.749 -19.735 0.299 1.00 0.00 N ATOM 1510 CA SER A 100 -6.657 -20.682 0.135 1.00 0.00 C ATOM 1511 C SER A 100 -5.301 -19.982 0.052 1.00 0.00 C ATOM 1512 O SER A 100 -4.273 -20.627 0.252 1.00 0.00 O ATOM 1513 CB SER A 100 -6.897 -21.471 -1.153 1.00 0.00 C ATOM 1514 OG SER A 100 -8.078 -22.233 -1.032 1.00 0.00 O ATOM 0 H SER A 100 -8.439 -19.769 -0.451 1.00 0.00 H new ATOM 0 HA SER A 100 -6.634 -21.340 1.004 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.978 -20.788 -1.999 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.049 -22.126 -1.353 1.00 0.00 H new ATOM 0 HG SER A 100 -8.229 -22.736 -1.860 1.00 0.00 H new ATOM 1520 N ALA A 101 -5.292 -18.674 -0.239 1.00 0.00 N ATOM 1521 CA ALA A 101 -4.080 -17.884 -0.410 1.00 0.00 C ATOM 1522 C ALA A 101 -3.109 -18.520 -1.413 1.00 0.00 C ATOM 1523 O ALA A 101 -1.928 -18.177 -1.437 1.00 0.00 O ATOM 1524 CB ALA A 101 -3.438 -17.605 0.952 1.00 0.00 C ATOM 0 H ALA A 101 -6.147 -18.132 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.353 -16.924 -0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.533 -17.014 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.139 -17.054 1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.185 -18.549 1.435 1.00 0.00 H new ATOM 1530 N ALA A 102 -3.609 -19.446 -2.240 1.00 0.00 N ATOM 1531 CA ALA A 102 -2.808 -20.168 -3.213 1.00 0.00 C ATOM 1532 C ALA A 102 -3.625 -20.520 -4.461 1.00 0.00 C ATOM 1533 O ALA A 102 -3.148 -21.257 -5.322 1.00 0.00 O ATOM 1534 CB ALA A 102 -2.241 -21.426 -2.557 1.00 0.00 C ATOM 0 H ALA A 102 -4.594 -19.712 -2.246 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.988 -19.529 -3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -1.638 -21.974 -3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.620 -21.145 -1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.060 -22.058 -2.214 1.00 0.00 H new ATOM 1540 N GLU A 103 -4.852 -20.000 -4.566 1.00 0.00 N ATOM 1541 CA GLU A 103 -5.737 -20.307 -5.682 1.00 0.00 C ATOM 1542 C GLU A 103 -5.268 -19.647 -6.982 1.00 0.00 C ATOM 1543 O GLU A 103 -5.838 -19.897 -8.042 1.00 0.00 O ATOM 1544 CB GLU A 103 -7.171 -19.890 -5.338 1.00 0.00 C ATOM 1545 CG GLU A 103 -7.276 -18.388 -5.047 1.00 0.00 C ATOM 1546 CD GLU A 103 -8.730 -17.954 -4.889 1.00 0.00 C ATOM 1547 OE1 GLU A 103 -9.526 -18.758 -4.350 1.00 0.00 O ATOM 1548 OE2 GLU A 103 -9.041 -16.816 -5.305 1.00 0.00 O ATOM 0 H GLU A 103 -5.253 -19.359 -3.882 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.711 -21.384 -5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.832 -20.146 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.514 -20.453 -4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.723 -18.152 -4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.812 -17.825 -5.857 1.00 0.00 H new ATOM 1555 N MET A 104 -4.233 -18.809 -6.900 1.00 0.00 N ATOM 1556 CA MET A 104 -3.646 -18.129 -8.048 1.00 0.00 C ATOM 1557 C MET A 104 -2.326 -18.782 -8.460 1.00 0.00 C ATOM 1558 O MET A 104 -1.628 -18.269 -9.332 1.00 0.00 O ATOM 1559 CB MET A 104 -3.454 -16.650 -7.718 1.00 0.00 C ATOM 1560 CG MET A 104 -4.801 -15.980 -7.448 1.00 0.00 C ATOM 1561 SD MET A 104 -4.682 -14.234 -6.980 1.00 0.00 S ATOM 1562 CE MET A 104 -3.909 -14.420 -5.352 1.00 0.00 C ATOM 0 H MET A 104 -3.774 -18.582 -6.018 1.00 0.00 H new ATOM 0 HA MET A 104 -4.324 -18.215 -8.897 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.809 -16.547 -6.845 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.952 -16.149 -8.546 1.00 0.00 H new ATOM 0 HG2 MET A 104 -5.421 -16.064 -8.341 1.00 0.00 H new ATOM 0 HG3 MET A 104 -5.312 -16.524 -6.653 1.00 0.00 H new ATOM 0 HE1 MET A 104 -3.997 -13.485 -4.798 1.00 0.00 H new ATOM 0 HE2 MET A 104 -4.408 -15.217 -4.801 1.00 0.00 H new ATOM 0 HE3 MET A 104 -2.855 -14.670 -5.476 1.00 0.00 H new ATOM 1572 N TYR A 105 -1.980 -19.913 -7.837 1.00 0.00 N ATOM 1573 CA TYR A 105 -0.729 -20.614 -8.094 1.00 0.00 C ATOM 1574 C TYR A 105 -0.974 -22.098 -8.386 1.00 0.00 C ATOM 1575 O TYR A 105 -0.021 -22.865 -8.530 1.00 0.00 O ATOM 1576 CB TYR A 105 0.213 -20.435 -6.900 1.00 0.00 C ATOM 1577 CG TYR A 105 0.474 -18.991 -6.531 1.00 0.00 C ATOM 1578 CD1 TYR A 105 -0.418 -18.317 -5.685 1.00 0.00 C ATOM 1579 CD2 TYR A 105 1.608 -18.331 -7.027 1.00 0.00 C ATOM 1580 CE1 TYR A 105 -0.183 -16.980 -5.328 1.00 0.00 C ATOM 1581 CE2 TYR A 105 1.849 -16.994 -6.678 1.00 0.00 C ATOM 1582 CZ TYR A 105 0.954 -16.315 -5.827 1.00 0.00 C ATOM 1583 OH TYR A 105 1.187 -15.016 -5.491 1.00 0.00 O ATOM 0 H TYR A 105 -2.567 -20.366 -7.137 1.00 0.00 H new ATOM 0 HA TYR A 105 -0.262 -20.185 -8.980 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -0.210 -20.949 -6.037 1.00 0.00 H new ATOM 0 HB3 TYR A 105 1.163 -20.919 -7.125 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -1.290 -18.829 -5.306 1.00 0.00 H new ATOM 0 HD2 TYR A 105 2.295 -18.852 -7.677 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.870 -16.464 -4.674 1.00 0.00 H new ATOM 0 HE2 TYR A 105 2.721 -16.485 -7.062 1.00 0.00 H new ATOM 0 HH TYR A 105 0.433 -14.673 -4.967 1.00 0.00 H new ATOM 1593 N GLY A 106 -2.243 -22.507 -8.471 1.00 0.00 N ATOM 1594 CA GLY A 106 -2.618 -23.887 -8.737 1.00 0.00 C ATOM 1595 C GLY A 106 -4.119 -24.010 -8.959 1.00 0.00 C ATOM 1596 O GLY A 106 -4.837 -23.015 -8.896 1.00 0.00 O ATOM 1597 OXT GLY A 106 -4.637 -25.086 -9.201 1.00 0.00 O ATOM 0 H GLY A 106 -3.040 -21.881 -8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.086 -24.249 -9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.317 -24.517 -7.900 1.00 0.00 H new