USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=18 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= -0.953 K(o=-1.1,f=-6.6!) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.196 K(o=-1.1,f=-3.5) USER MOD Set 2.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 47 SER OG : rot -106:sc= 0.322 USER MOD Set 2.3: A 49 HIS : no HD1:sc= -0.83 X(o=-0.51,f=-0.49) USER MOD Set 3.1: A 39 LYS NZ :NH3+ -145:sc= 0.433 (180deg=-0.115) USER MOD Set 3.2: A 40 TYR OH : rot -153:sc= 0.923 USER MOD Single : A 4 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.2) USER MOD Single : A 6 THR OG1 : rot 140:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.335 K(o=-0.34,f=-3!) USER MOD Single : A 16 SER OG : rot 34:sc= -0.287 USER MOD Single : A 22 ASN : amide:sc= -0.256 K(o=-0.26,f=-1.6!) USER MOD Single : A 24 ASN : amide:sc= -0.587 X(o=-0.59,f=-0.61) USER MOD Single : A 25 THR OG1 : rot -12:sc= 0.833 USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0.969 (180deg=0.955) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -34:sc= 0.259 USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0147) USER MOD Single : A 46 CYS SG : rot 128:sc= 0.342 USER MOD Single : A 50 LYS NZ :NH3+ 168:sc=-0.00959 (180deg=-0.172) USER MOD Single : A 56 GLN : amide:sc= 0.588 K(o=0.59,f=-4.4!) USER MOD Single : A 57 TYR OH : rot -18:sc= -0.566 USER MOD Single : A 74 MET CE :methyl -176:sc= -1.13 (180deg=-1.19) USER MOD Single : A 78 GLN : amide:sc= -0.82 K(o=-0.82,f=-0.04) USER MOD Single : A 83 ASN : amide:sc= 0.668 K(o=0.67,f=-0.36) USER MOD Single : A 98 LYS NZ :NH3+ 163:sc= -0.0232 (180deg=-0.277) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 165:sc= -0.0328 (180deg=-0.354) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N ASN A 4 9.942 10.020 0.444 1.00 0.00 N ATOM 25 CA ASN A 4 9.830 9.123 1.585 1.00 0.00 C ATOM 26 C ASN A 4 8.577 9.407 2.417 1.00 0.00 C ATOM 27 O ASN A 4 8.397 8.819 3.485 1.00 0.00 O ATOM 28 CB ASN A 4 11.109 9.186 2.428 1.00 0.00 C ATOM 29 CG ASN A 4 11.357 10.559 3.045 1.00 0.00 C ATOM 30 OD1 ASN A 4 10.650 11.523 2.771 1.00 0.00 O ATOM 31 ND2 ASN A 4 12.380 10.660 3.892 1.00 0.00 N ATOM 0 HA ASN A 4 9.718 8.105 1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.049 8.443 3.223 1.00 0.00 H new ATOM 0 HB3 ASN A 4 11.961 8.916 1.804 1.00 0.00 H new ATOM 0 HD21 ASN A 4 12.592 11.556 4.331 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.951 9.841 4.102 1.00 0.00 H new ATOM 38 N VAL A 5 7.710 10.304 1.936 1.00 0.00 N ATOM 39 CA VAL A 5 6.503 10.700 2.647 1.00 0.00 C ATOM 40 C VAL A 5 5.297 9.908 2.148 1.00 0.00 C ATOM 41 O VAL A 5 5.079 9.797 0.941 1.00 0.00 O ATOM 42 CB VAL A 5 6.288 12.207 2.480 1.00 0.00 C ATOM 43 CG1 VAL A 5 4.977 12.656 3.123 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.437 12.973 3.139 1.00 0.00 C ATOM 0 H VAL A 5 7.832 10.774 1.039 1.00 0.00 H new ATOM 0 HA VAL A 5 6.619 10.478 3.708 1.00 0.00 H new ATOM 0 HB VAL A 5 6.251 12.418 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.854 13.730 2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.144 12.133 2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.996 12.425 4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.278 14.044 3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.474 12.731 4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.379 12.690 2.670 1.00 0.00 H new ATOM 54 N THR A 6 4.517 9.358 3.081 1.00 0.00 N ATOM 55 CA THR A 6 3.319 8.583 2.770 1.00 0.00 C ATOM 56 C THR A 6 2.235 8.766 3.833 1.00 0.00 C ATOM 57 O THR A 6 1.262 8.013 3.831 1.00 0.00 O ATOM 58 CB THR A 6 3.643 7.089 2.630 1.00 0.00 C ATOM 59 OG1 THR A 6 4.321 6.625 3.777 1.00 0.00 O ATOM 60 CG2 THR A 6 4.516 6.795 1.414 1.00 0.00 C ATOM 0 H THR A 6 4.702 9.440 4.081 1.00 0.00 H new ATOM 0 HA THR A 6 2.943 8.959 1.818 1.00 0.00 H new ATOM 0 HB THR A 6 2.688 6.577 2.509 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.990 5.734 4.014 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.716 5.725 1.360 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.998 7.113 0.509 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.458 7.337 1.503 1.00 0.00 H new ATOM 68 N ASN A 7 2.370 9.740 4.740 1.00 0.00 N ATOM 69 CA ASN A 7 1.389 9.927 5.801 1.00 0.00 C ATOM 70 C ASN A 7 0.724 11.300 5.722 1.00 0.00 C ATOM 71 O ASN A 7 1.374 12.331 5.897 1.00 0.00 O ATOM 72 CB ASN A 7 2.045 9.685 7.160 1.00 0.00 C ATOM 73 CG ASN A 7 1.032 9.657 8.294 1.00 0.00 C ATOM 74 OD1 ASN A 7 -0.142 9.967 8.108 1.00 0.00 O ATOM 75 ND2 ASN A 7 1.482 9.281 9.486 1.00 0.00 N ATOM 0 H ASN A 7 3.145 10.403 4.757 1.00 0.00 H new ATOM 0 HA ASN A 7 0.592 9.195 5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.586 8.739 7.136 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.779 10.468 7.351 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.846 9.243 10.283 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.464 9.030 9.605 1.00 0.00 H new ATOM 210 N SER A 16 -5.755 7.992 -2.033 1.00 0.00 N ATOM 211 CA SER A 16 -4.799 7.747 -3.105 1.00 0.00 C ATOM 212 C SER A 16 -3.590 6.970 -2.582 1.00 0.00 C ATOM 213 O SER A 16 -2.555 6.912 -3.244 1.00 0.00 O ATOM 214 CB SER A 16 -4.382 9.070 -3.741 1.00 0.00 C ATOM 215 OG SER A 16 -5.531 9.811 -4.087 1.00 0.00 O ATOM 0 HA SER A 16 -5.273 7.135 -3.873 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.764 9.640 -3.047 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.776 8.884 -4.628 1.00 0.00 H new ATOM 0 HG SER A 16 -6.239 9.642 -3.431 1.00 0.00 H new ATOM 221 N ARG A 17 -3.722 6.377 -1.389 1.00 0.00 N ATOM 222 CA ARG A 17 -2.655 5.665 -0.700 1.00 0.00 C ATOM 223 C ARG A 17 -2.967 4.175 -0.647 1.00 0.00 C ATOM 224 O ARG A 17 -4.129 3.781 -0.716 1.00 0.00 O ATOM 225 CB ARG A 17 -2.548 6.230 0.713 1.00 0.00 C ATOM 226 CG ARG A 17 -1.309 5.733 1.458 1.00 0.00 C ATOM 227 CD ARG A 17 -1.275 6.373 2.845 1.00 0.00 C ATOM 228 NE ARG A 17 -1.371 7.828 2.712 1.00 0.00 N ATOM 229 CZ ARG A 17 -1.993 8.636 3.565 1.00 0.00 C ATOM 230 NH1 ARG A 17 -2.492 8.198 4.715 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.117 9.917 3.255 1.00 0.00 N ATOM 0 H ARG A 17 -4.599 6.383 -0.868 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.712 5.794 -1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.524 7.319 0.663 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.440 5.956 1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.332 4.647 1.545 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.407 5.989 0.902 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.099 5.997 3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.352 6.104 3.359 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.925 8.256 1.900 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.404 7.214 4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.963 8.846 5.346 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.739 10.268 2.375 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.591 10.553 3.896 1.00 0.00 H new ATOM 245 N VAL A 18 -1.928 3.351 -0.517 1.00 0.00 N ATOM 246 CA VAL A 18 -2.093 1.911 -0.393 1.00 0.00 C ATOM 247 C VAL A 18 -1.265 1.392 0.774 1.00 0.00 C ATOM 248 O VAL A 18 -0.092 1.737 0.920 1.00 0.00 O ATOM 249 CB VAL A 18 -1.706 1.216 -1.698 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.862 -0.297 -1.563 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.622 1.711 -2.814 1.00 0.00 C ATOM 0 H VAL A 18 -0.957 3.664 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.141 1.687 -0.195 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.666 1.447 -1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.582 -0.777 -2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.216 -0.659 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.899 -0.536 -1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.353 1.221 -3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.657 1.477 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.510 2.790 -2.925 1.00 0.00 H new ATOM 261 N PHE A 19 -1.891 0.557 1.601 1.00 0.00 N ATOM 262 CA PHE A 19 -1.235 -0.110 2.709 1.00 0.00 C ATOM 263 C PHE A 19 -0.767 -1.487 2.251 1.00 0.00 C ATOM 264 O PHE A 19 -1.512 -2.203 1.584 1.00 0.00 O ATOM 265 CB PHE A 19 -2.204 -0.208 3.889 1.00 0.00 C ATOM 266 CG PHE A 19 -1.658 -0.975 5.073 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.451 -0.580 5.667 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.358 -2.079 5.581 1.00 0.00 C ATOM 269 CE1 PHE A 19 0.059 -1.287 6.765 1.00 0.00 C ATOM 270 CE2 PHE A 19 -1.839 -2.791 6.668 1.00 0.00 C ATOM 271 CZ PHE A 19 -0.629 -2.402 7.259 1.00 0.00 C ATOM 0 H PHE A 19 -2.881 0.326 1.514 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.364 0.457 3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.469 0.799 4.212 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.123 -0.687 3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.087 0.271 5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.295 -2.379 5.135 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.982 -0.972 7.229 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.374 -3.646 7.054 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.229 -2.960 8.092 1.00 0.00 H new ATOM 281 N ILE A 20 0.464 -1.855 2.610 1.00 0.00 N ATOM 282 CA ILE A 20 1.060 -3.132 2.240 1.00 0.00 C ATOM 283 C ILE A 20 1.453 -3.854 3.522 1.00 0.00 C ATOM 284 O ILE A 20 2.607 -3.810 3.946 1.00 0.00 O ATOM 285 CB ILE A 20 2.262 -2.906 1.311 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.831 -2.178 0.034 1.00 0.00 C ATOM 287 CG2 ILE A 20 2.930 -4.241 0.943 1.00 0.00 C ATOM 288 CD1 ILE A 20 3.035 -1.554 -0.671 1.00 0.00 C ATOM 0 H ILE A 20 1.079 -1.266 3.172 1.00 0.00 H new ATOM 0 HA ILE A 20 0.351 -3.749 1.689 1.00 0.00 H new ATOM 0 HB ILE A 20 2.982 -2.288 1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.333 -2.877 -0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.106 -1.402 0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.778 -4.054 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.277 -4.736 1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.209 -4.880 0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.703 -1.043 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.516 -0.838 -0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.746 -2.336 -0.937 1.00 0.00 H new ATOM 300 N GLY A 21 0.479 -4.520 4.137 1.00 0.00 N ATOM 301 CA GLY A 21 0.696 -5.279 5.353 1.00 0.00 C ATOM 302 C GLY A 21 1.208 -6.675 5.033 1.00 0.00 C ATOM 303 O GLY A 21 1.301 -7.060 3.866 1.00 0.00 O ATOM 0 H GLY A 21 -0.484 -4.545 3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.414 -4.760 5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.235 -5.348 5.915 1.00 0.00 H new ATOM 307 N ASN A 22 1.541 -7.438 6.079 1.00 0.00 N ATOM 308 CA ASN A 22 2.085 -8.781 5.932 1.00 0.00 C ATOM 309 C ASN A 22 3.229 -8.795 4.915 1.00 0.00 C ATOM 310 O ASN A 22 3.281 -9.654 4.041 1.00 0.00 O ATOM 311 CB ASN A 22 0.968 -9.773 5.581 1.00 0.00 C ATOM 312 CG ASN A 22 1.454 -11.217 5.662 1.00 0.00 C ATOM 313 OD1 ASN A 22 2.407 -11.525 6.373 1.00 0.00 O ATOM 314 ND2 ASN A 22 0.801 -12.117 4.935 1.00 0.00 N ATOM 0 H ASN A 22 1.439 -7.137 7.048 1.00 0.00 H new ATOM 0 HA ASN A 22 2.510 -9.101 6.883 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.128 -9.632 6.262 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.601 -9.568 4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.087 -13.096 4.957 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.013 -11.829 4.354 1.00 0.00 H new ATOM 321 N LEU A 23 4.149 -7.831 5.030 1.00 0.00 N ATOM 322 CA LEU A 23 5.301 -7.723 4.149 1.00 0.00 C ATOM 323 C LEU A 23 6.528 -8.330 4.831 1.00 0.00 C ATOM 324 O LEU A 23 6.670 -8.216 6.049 1.00 0.00 O ATOM 325 CB LEU A 23 5.490 -6.245 3.786 1.00 0.00 C ATOM 326 CG LEU A 23 6.659 -5.970 2.842 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.495 -6.681 1.502 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.739 -4.472 2.579 1.00 0.00 C ATOM 0 H LEU A 23 4.109 -7.103 5.743 1.00 0.00 H new ATOM 0 HA LEU A 23 5.150 -8.281 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.573 -5.877 3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.638 -5.675 4.703 1.00 0.00 H new ATOM 0 HG LEU A 23 7.565 -6.343 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.350 -6.456 0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.437 -7.757 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.581 -6.338 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.571 -4.265 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.809 -4.133 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.894 -3.945 3.520 1.00 0.00 H new ATOM 340 N ASN A 24 7.415 -8.973 4.063 1.00 0.00 N ATOM 341 CA ASN A 24 8.587 -9.612 4.646 1.00 0.00 C ATOM 342 C ASN A 24 9.558 -8.573 5.206 1.00 0.00 C ATOM 343 O ASN A 24 10.146 -8.784 6.264 1.00 0.00 O ATOM 344 CB ASN A 24 9.288 -10.462 3.581 1.00 0.00 C ATOM 345 CG ASN A 24 10.377 -11.325 4.205 1.00 0.00 C ATOM 346 OD1 ASN A 24 10.198 -11.890 5.282 1.00 0.00 O ATOM 347 ND2 ASN A 24 11.518 -11.435 3.533 1.00 0.00 N ATOM 0 H ASN A 24 7.341 -9.061 3.050 1.00 0.00 H new ATOM 0 HA ASN A 24 8.262 -10.249 5.469 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.558 -11.097 3.079 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.723 -9.813 2.821 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.278 -12.002 3.908 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.633 -10.953 2.642 1.00 0.00 H new ATOM 354 N THR A 25 9.712 -7.456 4.486 1.00 0.00 N ATOM 355 CA THR A 25 10.576 -6.320 4.824 1.00 0.00 C ATOM 356 C THR A 25 12.040 -6.670 5.092 1.00 0.00 C ATOM 357 O THR A 25 12.819 -5.799 5.467 1.00 0.00 O ATOM 358 CB THR A 25 9.973 -5.485 5.959 1.00 0.00 C ATOM 359 OG1 THR A 25 9.979 -6.196 7.179 1.00 0.00 O ATOM 360 CG2 THR A 25 8.539 -5.093 5.619 1.00 0.00 C ATOM 0 H THR A 25 9.212 -7.313 3.608 1.00 0.00 H new ATOM 0 HA THR A 25 10.609 -5.714 3.919 1.00 0.00 H new ATOM 0 HB THR A 25 10.586 -4.591 6.071 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.195 -7.137 7.008 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.121 -4.500 6.433 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.530 -4.506 4.701 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.939 -5.992 5.480 1.00 0.00 H new ATOM 368 N LEU A 26 12.421 -7.936 4.901 1.00 0.00 N ATOM 369 CA LEU A 26 13.795 -8.392 5.063 1.00 0.00 C ATOM 370 C LEU A 26 14.513 -8.490 3.715 1.00 0.00 C ATOM 371 O LEU A 26 15.739 -8.587 3.681 1.00 0.00 O ATOM 372 CB LEU A 26 13.792 -9.750 5.764 1.00 0.00 C ATOM 373 CG LEU A 26 14.017 -9.627 7.276 1.00 0.00 C ATOM 374 CD1 LEU A 26 12.907 -8.840 7.966 1.00 0.00 C ATOM 375 CD2 LEU A 26 14.070 -11.027 7.883 1.00 0.00 C ATOM 0 H LEU A 26 11.775 -8.676 4.627 1.00 0.00 H new ATOM 0 HA LEU A 26 14.336 -7.665 5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.840 -10.249 5.580 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.570 -10.380 5.333 1.00 0.00 H new ATOM 0 HG LEU A 26 14.953 -9.090 7.428 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.113 -8.781 9.035 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.861 -7.834 7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.953 -9.342 7.807 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.230 -10.951 8.959 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.129 -11.543 7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.889 -11.588 7.433 1.00 0.00 H new ATOM 387 N VAL A 27 13.757 -8.465 2.613 1.00 0.00 N ATOM 388 CA VAL A 27 14.324 -8.539 1.271 1.00 0.00 C ATOM 389 C VAL A 27 13.835 -7.371 0.416 1.00 0.00 C ATOM 390 O VAL A 27 14.495 -7.000 -0.552 1.00 0.00 O ATOM 391 CB VAL A 27 13.966 -9.892 0.640 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.540 -10.019 -0.773 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.525 -11.039 1.485 1.00 0.00 C ATOM 0 H VAL A 27 12.740 -8.393 2.630 1.00 0.00 H new ATOM 0 HA VAL A 27 15.410 -8.463 1.329 1.00 0.00 H new ATOM 0 HB VAL A 27 12.878 -9.947 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.268 -10.988 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.136 -9.226 -1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.626 -9.933 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.263 -11.992 1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.610 -10.951 1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.101 -10.992 2.488 1.00 0.00 H new ATOM 403 N VAL A 28 12.682 -6.788 0.766 1.00 0.00 N ATOM 404 CA VAL A 28 12.133 -5.643 0.042 1.00 0.00 C ATOM 405 C VAL A 28 12.380 -4.360 0.827 1.00 0.00 C ATOM 406 O VAL A 28 12.357 -4.368 2.058 1.00 0.00 O ATOM 407 CB VAL A 28 10.644 -5.857 -0.241 1.00 0.00 C ATOM 408 CG1 VAL A 28 10.062 -4.698 -1.051 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.450 -7.141 -1.043 1.00 0.00 C ATOM 0 H VAL A 28 12.110 -7.096 1.553 1.00 0.00 H new ATOM 0 HA VAL A 28 12.639 -5.548 -0.919 1.00 0.00 H new ATOM 0 HB VAL A 28 10.131 -5.919 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.003 -4.879 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.179 -3.769 -0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.588 -4.619 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.389 -7.289 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.989 -7.065 -1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.834 -7.987 -0.473 1.00 0.00 H new ATOM 419 N LYS A 29 12.613 -3.255 0.111 1.00 0.00 N ATOM 420 CA LYS A 29 12.902 -1.959 0.711 1.00 0.00 C ATOM 421 C LYS A 29 12.106 -0.866 0.008 1.00 0.00 C ATOM 422 O LYS A 29 11.465 -1.108 -1.011 1.00 0.00 O ATOM 423 CB LYS A 29 14.405 -1.647 0.638 1.00 0.00 C ATOM 424 CG LYS A 29 15.290 -2.712 1.294 1.00 0.00 C ATOM 425 CD LYS A 29 15.713 -3.787 0.291 1.00 0.00 C ATOM 426 CE LYS A 29 16.614 -4.813 0.973 1.00 0.00 C ATOM 427 NZ LYS A 29 17.057 -5.843 0.012 1.00 0.00 N ATOM 0 H LYS A 29 12.605 -3.240 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 29 12.609 -1.994 1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.694 -1.541 -0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.591 -0.687 1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.176 -2.239 1.717 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.751 -3.176 2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.832 -4.280 -0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.239 -3.328 -0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.482 -4.313 1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.078 -5.284 1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.722 -6.491 0.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.233 -6.378 -0.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.529 -5.386 -0.794 1.00 0.00 H new ATOM 441 N LYS A 30 12.151 0.350 0.557 1.00 0.00 N ATOM 442 CA LYS A 30 11.480 1.516 -0.008 1.00 0.00 C ATOM 443 C LYS A 30 12.094 1.944 -1.340 1.00 0.00 C ATOM 444 O LYS A 30 11.591 2.859 -1.989 1.00 0.00 O ATOM 445 CB LYS A 30 11.478 2.641 1.031 1.00 0.00 C ATOM 446 CG LYS A 30 12.894 3.003 1.486 1.00 0.00 C ATOM 447 CD LYS A 30 12.897 3.343 2.975 1.00 0.00 C ATOM 448 CE LYS A 30 12.024 4.564 3.278 1.00 0.00 C ATOM 449 NZ LYS A 30 11.992 4.851 4.727 1.00 0.00 N ATOM 0 H LYS A 30 12.661 0.552 1.417 1.00 0.00 H new ATOM 0 HA LYS A 30 10.447 1.257 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.996 3.523 0.610 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.886 2.336 1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.570 2.170 1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.263 3.852 0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.536 2.487 3.545 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.919 3.536 3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.408 5.431 2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.011 4.389 2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.393 5.683 4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.603 4.031 5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.957 5.041 5.065 1.00 0.00 H new ATOM 463 N SER A 31 13.180 1.280 -1.745 1.00 0.00 N ATOM 464 CA SER A 31 13.804 1.482 -3.045 1.00 0.00 C ATOM 465 C SER A 31 13.364 0.398 -4.032 1.00 0.00 C ATOM 466 O SER A 31 13.801 0.402 -5.182 1.00 0.00 O ATOM 467 CB SER A 31 15.328 1.502 -2.894 1.00 0.00 C ATOM 468 OG SER A 31 15.705 2.494 -1.961 1.00 0.00 O ATOM 0 H SER A 31 13.651 0.581 -1.170 1.00 0.00 H new ATOM 0 HA SER A 31 13.482 2.444 -3.445 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.682 0.526 -2.563 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.795 1.701 -3.858 1.00 0.00 H new ATOM 0 HG SER A 31 16.680 2.501 -1.867 1.00 0.00 H new ATOM 474 N ASP A 32 12.503 -0.526 -3.588 1.00 0.00 N ATOM 475 CA ASP A 32 11.992 -1.614 -4.402 1.00 0.00 C ATOM 476 C ASP A 32 10.477 -1.505 -4.570 1.00 0.00 C ATOM 477 O ASP A 32 9.940 -1.877 -5.612 1.00 0.00 O ATOM 478 CB ASP A 32 12.352 -2.926 -3.707 1.00 0.00 C ATOM 479 CG ASP A 32 13.847 -3.218 -3.810 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.288 -3.602 -4.915 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.538 -3.051 -2.780 1.00 0.00 O ATOM 0 H ASP A 32 12.141 -0.530 -2.634 1.00 0.00 H new ATOM 0 HA ASP A 32 12.435 -1.572 -5.397 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.061 -2.876 -2.658 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.788 -3.744 -4.155 1.00 0.00 H new ATOM 486 N VAL A 33 9.777 -0.992 -3.556 1.00 0.00 N ATOM 487 CA VAL A 33 8.337 -0.798 -3.641 1.00 0.00 C ATOM 488 C VAL A 33 8.025 0.201 -4.754 1.00 0.00 C ATOM 489 O VAL A 33 6.987 0.107 -5.407 1.00 0.00 O ATOM 490 CB VAL A 33 7.817 -0.302 -2.287 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.335 0.054 -2.352 1.00 0.00 C ATOM 492 CG2 VAL A 33 7.991 -1.393 -1.235 1.00 0.00 C ATOM 0 H VAL A 33 10.189 -0.705 -2.668 1.00 0.00 H new ATOM 0 HA VAL A 33 7.840 -1.739 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 33 8.390 0.588 -2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.001 0.402 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.182 0.842 -3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.761 -0.827 -2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.620 -1.035 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.430 -2.279 -1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.047 -1.646 -1.144 1.00 0.00 H new ATOM 502 N GLU A 34 8.923 1.161 -4.982 1.00 0.00 N ATOM 503 CA GLU A 34 8.752 2.154 -6.035 1.00 0.00 C ATOM 504 C GLU A 34 9.084 1.591 -7.420 1.00 0.00 C ATOM 505 O GLU A 34 9.085 2.334 -8.402 1.00 0.00 O ATOM 506 CB GLU A 34 9.576 3.405 -5.724 1.00 0.00 C ATOM 507 CG GLU A 34 11.074 3.094 -5.676 1.00 0.00 C ATOM 508 CD GLU A 34 11.916 4.353 -5.453 1.00 0.00 C ATOM 509 OE1 GLU A 34 11.321 5.440 -5.277 1.00 0.00 O ATOM 510 OE2 GLU A 34 13.161 4.218 -5.461 1.00 0.00 O ATOM 0 H GLU A 34 9.783 1.269 -4.444 1.00 0.00 H new ATOM 0 HA GLU A 34 7.699 2.433 -6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.385 4.165 -6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.259 3.822 -4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.270 2.381 -4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.375 2.617 -6.609 1.00 0.00 H new ATOM 517 N ALA A 35 9.365 0.288 -7.507 1.00 0.00 N ATOM 518 CA ALA A 35 9.638 -0.377 -8.772 1.00 0.00 C ATOM 519 C ALA A 35 8.713 -1.578 -8.976 1.00 0.00 C ATOM 520 O ALA A 35 8.696 -2.169 -10.055 1.00 0.00 O ATOM 521 CB ALA A 35 11.110 -0.797 -8.803 1.00 0.00 C ATOM 0 H ALA A 35 9.408 -0.331 -6.698 1.00 0.00 H new ATOM 0 HA ALA A 35 9.444 0.314 -9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.326 -1.297 -9.747 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.742 0.086 -8.707 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.311 -1.479 -7.977 1.00 0.00 H new ATOM 527 N ILE A 36 7.943 -1.945 -7.947 1.00 0.00 N ATOM 528 CA ILE A 36 7.012 -3.067 -8.004 1.00 0.00 C ATOM 529 C ILE A 36 5.566 -2.576 -8.024 1.00 0.00 C ATOM 530 O ILE A 36 4.692 -3.255 -8.560 1.00 0.00 O ATOM 531 CB ILE A 36 7.273 -3.979 -6.799 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.695 -4.544 -6.884 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.253 -5.122 -6.749 1.00 0.00 C ATOM 534 CD1 ILE A 36 9.142 -5.144 -5.549 1.00 0.00 C ATOM 0 H ILE A 36 7.951 -1.466 -7.047 1.00 0.00 H new ATOM 0 HA ILE A 36 7.169 -3.629 -8.924 1.00 0.00 H new ATOM 0 HB ILE A 36 7.169 -3.392 -5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.738 -5.308 -7.660 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.385 -3.753 -7.177 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.458 -5.755 -5.886 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.248 -4.709 -6.665 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.327 -5.715 -7.660 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.155 -5.535 -5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.123 -4.373 -4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.467 -5.952 -5.269 1.00 0.00 H new ATOM 546 N PHE A 37 5.313 -1.400 -7.442 1.00 0.00 N ATOM 547 CA PHE A 37 3.981 -0.822 -7.395 1.00 0.00 C ATOM 548 C PHE A 37 3.846 0.315 -8.406 1.00 0.00 C ATOM 549 O PHE A 37 2.745 0.810 -8.644 1.00 0.00 O ATOM 550 CB PHE A 37 3.688 -0.367 -5.965 1.00 0.00 C ATOM 551 CG PHE A 37 3.473 -1.514 -5.001 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.570 -2.211 -4.478 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.171 -1.884 -4.635 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.368 -3.281 -3.597 1.00 0.00 C ATOM 555 CE2 PHE A 37 1.966 -2.955 -3.753 1.00 0.00 C ATOM 556 CZ PHE A 37 3.066 -3.654 -3.235 1.00 0.00 C ATOM 0 H PHE A 37 6.029 -0.829 -6.993 1.00 0.00 H new ATOM 0 HA PHE A 37 3.240 -1.571 -7.675 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.516 0.246 -5.610 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.801 0.267 -5.968 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.573 -1.923 -4.755 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.325 -1.344 -5.033 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.215 -3.818 -3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.963 -3.241 -3.473 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.910 -4.480 -2.557 1.00 0.00 H new ATOM 566 N SER A 38 4.961 0.740 -9.013 1.00 0.00 N ATOM 567 CA SER A 38 4.953 1.838 -9.973 1.00 0.00 C ATOM 568 C SER A 38 4.373 1.392 -11.315 1.00 0.00 C ATOM 569 O SER A 38 4.147 2.214 -12.202 1.00 0.00 O ATOM 570 CB SER A 38 6.372 2.382 -10.135 1.00 0.00 C ATOM 571 OG SER A 38 6.366 3.552 -10.927 1.00 0.00 O ATOM 0 H SER A 38 5.883 0.334 -8.851 1.00 0.00 H new ATOM 0 HA SER A 38 4.312 2.635 -9.596 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.798 2.601 -9.156 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.007 1.626 -10.597 1.00 0.00 H new ATOM 0 HG SER A 38 5.670 3.479 -11.613 1.00 0.00 H new ATOM 577 N LYS A 39 4.130 0.086 -11.472 1.00 0.00 N ATOM 578 CA LYS A 39 3.544 -0.467 -12.686 1.00 0.00 C ATOM 579 C LYS A 39 2.018 -0.398 -12.668 1.00 0.00 C ATOM 580 O LYS A 39 1.392 -0.630 -13.699 1.00 0.00 O ATOM 581 CB LYS A 39 4.044 -1.900 -12.853 1.00 0.00 C ATOM 582 CG LYS A 39 3.503 -2.780 -11.726 1.00 0.00 C ATOM 583 CD LYS A 39 4.328 -4.058 -11.602 1.00 0.00 C ATOM 584 CE LYS A 39 4.257 -4.914 -12.868 1.00 0.00 C ATOM 585 NZ LYS A 39 2.884 -5.398 -13.120 1.00 0.00 N ATOM 0 H LYS A 39 4.336 -0.613 -10.758 1.00 0.00 H new ATOM 0 HA LYS A 39 3.857 0.131 -13.542 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.725 -2.294 -13.818 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.134 -1.916 -12.846 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.528 -2.231 -10.784 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.460 -3.031 -11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.367 -3.800 -11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.970 -4.639 -10.752 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.600 -4.331 -13.722 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.931 -5.765 -12.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.922 -6.351 -13.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.358 -5.431 -12.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.404 -4.753 -13.780 1.00 0.00 H new ATOM 599 N TYR A 40 1.423 -0.082 -11.510 1.00 0.00 N ATOM 600 CA TYR A 40 -0.026 0.045 -11.381 1.00 0.00 C ATOM 601 C TYR A 40 -0.451 1.507 -11.273 1.00 0.00 C ATOM 602 O TYR A 40 -1.628 1.828 -11.445 1.00 0.00 O ATOM 603 CB TYR A 40 -0.490 -0.758 -10.165 1.00 0.00 C ATOM 604 CG TYR A 40 -0.063 -2.204 -10.243 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.683 -3.073 -11.154 1.00 0.00 C ATOM 606 CD2 TYR A 40 0.967 -2.669 -9.415 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.261 -4.406 -11.252 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.400 -3.998 -9.511 1.00 0.00 C ATOM 609 CZ TYR A 40 0.786 -4.873 -10.431 1.00 0.00 C ATOM 610 OH TYR A 40 1.205 -6.167 -10.532 1.00 0.00 O ATOM 0 H TYR A 40 1.933 0.091 -10.644 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.500 -0.354 -12.278 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.084 -0.309 -9.258 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.576 -0.705 -10.089 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.486 -2.714 -11.780 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.428 -2.002 -8.702 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.737 -5.074 -11.955 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.203 -4.352 -8.881 1.00 0.00 H new ATOM 0 HH TYR A 40 1.587 -6.455 -9.677 1.00 0.00 H new ATOM 620 N GLY A 41 0.502 2.396 -10.991 1.00 0.00 N ATOM 621 CA GLY A 41 0.235 3.825 -10.975 1.00 0.00 C ATOM 622 C GLY A 41 1.503 4.621 -10.715 1.00 0.00 C ATOM 623 O GLY A 41 2.497 4.075 -10.240 1.00 0.00 O ATOM 0 H GLY A 41 1.466 2.146 -10.771 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.197 4.127 -11.929 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.503 4.051 -10.205 1.00 0.00 H new ATOM 627 N LYS A 42 1.466 5.918 -11.027 1.00 0.00 N ATOM 628 CA LYS A 42 2.585 6.813 -10.801 1.00 0.00 C ATOM 629 C LYS A 42 2.699 7.082 -9.307 1.00 0.00 C ATOM 630 O LYS A 42 1.809 7.685 -8.712 1.00 0.00 O ATOM 631 CB LYS A 42 2.337 8.094 -11.599 1.00 0.00 C ATOM 632 CG LYS A 42 3.340 9.186 -11.232 1.00 0.00 C ATOM 633 CD LYS A 42 3.058 10.426 -12.078 1.00 0.00 C ATOM 634 CE LYS A 42 3.847 11.613 -11.533 1.00 0.00 C ATOM 635 NZ LYS A 42 5.302 11.430 -11.710 1.00 0.00 N ATOM 0 H LYS A 42 0.653 6.371 -11.444 1.00 0.00 H new ATOM 0 HA LYS A 42 3.527 6.377 -11.134 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.406 7.879 -12.665 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.324 8.451 -11.411 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.262 9.428 -10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.358 8.836 -11.405 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.334 10.240 -13.116 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.991 10.650 -12.067 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.531 12.524 -12.041 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.623 11.744 -10.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.800 12.291 -11.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.623 10.624 -11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.509 11.246 -12.712 1.00 0.00 H new ATOM 649 N ILE A 43 3.800 6.634 -8.704 1.00 0.00 N ATOM 650 CA ILE A 43 4.028 6.803 -7.279 1.00 0.00 C ATOM 651 C ILE A 43 4.589 8.195 -7.008 1.00 0.00 C ATOM 652 O ILE A 43 5.546 8.620 -7.654 1.00 0.00 O ATOM 653 CB ILE A 43 4.947 5.681 -6.773 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.215 4.345 -6.951 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.303 5.882 -5.301 1.00 0.00 C ATOM 656 CD1 ILE A 43 5.052 3.146 -6.505 1.00 0.00 C ATOM 0 H ILE A 43 4.552 6.147 -9.191 1.00 0.00 H new ATOM 0 HA ILE A 43 3.090 6.726 -6.730 1.00 0.00 H new ATOM 0 HB ILE A 43 5.875 5.691 -7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.286 4.366 -6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.943 4.222 -7.999 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.954 5.073 -4.970 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.817 6.835 -5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.392 5.882 -4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.482 2.229 -6.654 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.969 3.103 -7.093 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.302 3.250 -5.449 1.00 0.00 H new ATOM 668 N VAL A 44 3.984 8.898 -6.046 1.00 0.00 N ATOM 669 CA VAL A 44 4.410 10.233 -5.645 1.00 0.00 C ATOM 670 C VAL A 44 5.058 10.199 -4.264 1.00 0.00 C ATOM 671 O VAL A 44 5.583 11.208 -3.798 1.00 0.00 O ATOM 672 CB VAL A 44 3.228 11.209 -5.682 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.639 11.282 -7.089 1.00 0.00 C ATOM 674 CG2 VAL A 44 2.128 10.788 -4.705 1.00 0.00 C ATOM 0 H VAL A 44 3.180 8.550 -5.523 1.00 0.00 H new ATOM 0 HA VAL A 44 5.158 10.586 -6.355 1.00 0.00 H new ATOM 0 HB VAL A 44 3.606 12.188 -5.389 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.801 11.979 -7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.403 11.625 -7.786 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.291 10.294 -7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.304 11.500 -4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.766 9.795 -4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.529 10.768 -3.692 1.00 0.00 H new ATOM 684 N GLY A 45 5.028 9.032 -3.613 1.00 0.00 N ATOM 685 CA GLY A 45 5.646 8.822 -2.316 1.00 0.00 C ATOM 686 C GLY A 45 5.618 7.339 -1.964 1.00 0.00 C ATOM 687 O GLY A 45 4.674 6.636 -2.314 1.00 0.00 O ATOM 0 H GLY A 45 4.566 8.201 -3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.675 9.182 -2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.118 9.396 -1.554 1.00 0.00 H new ATOM 691 N CYS A 46 6.653 6.862 -1.271 1.00 0.00 N ATOM 692 CA CYS A 46 6.753 5.467 -0.881 1.00 0.00 C ATOM 693 C CYS A 46 7.504 5.346 0.441 1.00 0.00 C ATOM 694 O CYS A 46 8.331 6.194 0.772 1.00 0.00 O ATOM 695 CB CYS A 46 7.465 4.683 -1.987 1.00 0.00 C ATOM 696 SG CYS A 46 9.197 5.211 -2.094 1.00 0.00 S ATOM 0 H CYS A 46 7.440 7.435 -0.968 1.00 0.00 H new ATOM 0 HA CYS A 46 5.755 5.052 -0.742 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.413 3.614 -1.779 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.965 4.847 -2.942 1.00 0.00 H new ATOM 0 HG CYS A 46 9.973 4.169 -2.035 1.00 0.00 H new ATOM 702 N SER A 47 7.223 4.289 1.205 1.00 0.00 N ATOM 703 CA SER A 47 7.936 4.032 2.444 1.00 0.00 C ATOM 704 C SER A 47 7.791 2.571 2.847 1.00 0.00 C ATOM 705 O SER A 47 6.801 1.925 2.516 1.00 0.00 O ATOM 706 CB SER A 47 7.400 4.939 3.551 1.00 0.00 C ATOM 707 OG SER A 47 8.229 4.821 4.689 1.00 0.00 O ATOM 0 H SER A 47 6.505 3.600 0.982 1.00 0.00 H new ATOM 0 HA SER A 47 8.994 4.246 2.290 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.375 5.974 3.210 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.376 4.661 3.801 1.00 0.00 H new ATOM 0 HG SER A 47 7.768 4.297 5.377 1.00 0.00 H new ATOM 713 N VAL A 48 8.787 2.053 3.566 1.00 0.00 N ATOM 714 CA VAL A 48 8.770 0.698 4.100 1.00 0.00 C ATOM 715 C VAL A 48 9.090 0.742 5.587 1.00 0.00 C ATOM 716 O VAL A 48 9.869 1.579 6.040 1.00 0.00 O ATOM 717 CB VAL A 48 9.747 -0.202 3.338 1.00 0.00 C ATOM 718 CG1 VAL A 48 9.815 -1.598 3.953 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.283 -0.347 1.893 1.00 0.00 C ATOM 0 H VAL A 48 9.636 2.571 3.794 1.00 0.00 H new ATOM 0 HA VAL A 48 7.777 0.269 3.969 1.00 0.00 H new ATOM 0 HB VAL A 48 10.732 0.261 3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.517 -2.211 3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.149 -1.524 4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.827 -2.057 3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.978 -0.988 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.288 -0.792 1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.250 0.635 1.421 1.00 0.00 H new ATOM 729 N HIS A 49 8.475 -0.175 6.332 1.00 0.00 N ATOM 730 CA HIS A 49 8.578 -0.261 7.775 1.00 0.00 C ATOM 731 C HIS A 49 8.816 -1.722 8.148 1.00 0.00 C ATOM 732 O HIS A 49 9.180 -2.520 7.287 1.00 0.00 O ATOM 733 CB HIS A 49 7.280 0.281 8.378 1.00 0.00 C ATOM 734 CG HIS A 49 6.936 1.664 7.884 1.00 0.00 C ATOM 735 ND1 HIS A 49 7.208 2.854 8.558 1.00 0.00 N ATOM 736 CD2 HIS A 49 6.315 1.950 6.700 1.00 0.00 C ATOM 737 CE1 HIS A 49 6.747 3.832 7.755 1.00 0.00 C ATOM 738 NE2 HIS A 49 6.200 3.318 6.640 1.00 0.00 N ATOM 0 H HIS A 49 7.876 -0.896 5.930 1.00 0.00 H new ATOM 0 HA HIS A 49 9.408 0.330 8.163 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.462 -0.399 8.138 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.370 0.301 9.464 1.00 0.00 H new ATOM 0 HD2 HIS A 49 5.981 1.240 5.958 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.809 4.887 7.977 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.774 3.851 5.882 1.00 0.00 H new ATOM 746 N LYS A 50 8.621 -2.091 9.416 1.00 0.00 N ATOM 747 CA LYS A 50 8.769 -3.477 9.829 1.00 0.00 C ATOM 748 C LYS A 50 7.430 -4.192 9.710 1.00 0.00 C ATOM 749 O LYS A 50 6.469 -3.842 10.392 1.00 0.00 O ATOM 750 CB LYS A 50 9.324 -3.548 11.256 1.00 0.00 C ATOM 751 CG LYS A 50 10.733 -2.953 11.311 1.00 0.00 C ATOM 752 CD LYS A 50 11.308 -3.094 12.722 1.00 0.00 C ATOM 753 CE LYS A 50 12.731 -2.539 12.781 1.00 0.00 C ATOM 754 NZ LYS A 50 12.762 -1.086 12.529 1.00 0.00 N ATOM 0 H LYS A 50 8.362 -1.450 10.166 1.00 0.00 H new ATOM 0 HA LYS A 50 9.481 -3.980 9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.667 -3.006 11.936 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.347 -4.584 11.593 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.379 -3.460 10.594 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.704 -1.902 11.025 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.675 -2.563 13.433 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.309 -4.143 13.017 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.162 -2.748 13.760 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.351 -3.049 12.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.700 -0.711 12.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.569 -0.904 11.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.039 -0.617 13.111 1.00 0.00 H new ATOM 768 N GLY A 51 7.373 -5.201 8.840 1.00 0.00 N ATOM 769 CA GLY A 51 6.181 -6.007 8.627 1.00 0.00 C ATOM 770 C GLY A 51 5.160 -5.353 7.693 1.00 0.00 C ATOM 771 O GLY A 51 4.198 -6.009 7.300 1.00 0.00 O ATOM 0 H GLY A 51 8.164 -5.481 8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.474 -6.972 8.213 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.708 -6.203 9.589 1.00 0.00 H new ATOM 775 N PHE A 52 5.345 -4.082 7.327 1.00 0.00 N ATOM 776 CA PHE A 52 4.439 -3.401 6.409 1.00 0.00 C ATOM 777 C PHE A 52 5.160 -2.323 5.601 1.00 0.00 C ATOM 778 O PHE A 52 6.306 -1.981 5.882 1.00 0.00 O ATOM 779 CB PHE A 52 3.269 -2.773 7.171 1.00 0.00 C ATOM 780 CG PHE A 52 3.658 -1.732 8.191 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.049 -2.122 9.480 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.624 -0.371 7.850 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.415 -1.152 10.423 1.00 0.00 C ATOM 784 CE2 PHE A 52 3.986 0.596 8.796 1.00 0.00 C ATOM 785 CZ PHE A 52 4.384 0.208 10.083 1.00 0.00 C ATOM 0 H PHE A 52 6.119 -3.505 7.656 1.00 0.00 H new ATOM 0 HA PHE A 52 4.058 -4.152 5.717 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.588 -2.318 6.451 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.716 -3.566 7.675 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.068 -3.169 9.746 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.319 -0.070 6.859 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.722 -1.453 11.414 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.959 1.643 8.533 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.666 0.955 10.811 1.00 0.00 H new ATOM 795 N ALA A 53 4.467 -1.786 4.594 1.00 0.00 N ATOM 796 CA ALA A 53 4.945 -0.683 3.777 1.00 0.00 C ATOM 797 C ALA A 53 3.768 0.180 3.317 1.00 0.00 C ATOM 798 O ALA A 53 2.611 -0.175 3.530 1.00 0.00 O ATOM 799 CB ALA A 53 5.719 -1.241 2.584 1.00 0.00 C ATOM 0 H ALA A 53 3.541 -2.117 4.324 1.00 0.00 H new ATOM 0 HA ALA A 53 5.612 -0.051 4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.080 -0.418 1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.567 -1.826 2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.063 -1.878 1.991 1.00 0.00 H new ATOM 805 N PHE A 54 4.072 1.314 2.680 1.00 0.00 N ATOM 806 CA PHE A 54 3.075 2.253 2.191 1.00 0.00 C ATOM 807 C PHE A 54 3.472 2.807 0.828 1.00 0.00 C ATOM 808 O PHE A 54 4.657 2.944 0.517 1.00 0.00 O ATOM 809 CB PHE A 54 2.911 3.399 3.193 1.00 0.00 C ATOM 810 CG PHE A 54 1.887 3.132 4.269 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.525 3.216 3.948 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.284 2.809 5.575 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.446 2.974 4.929 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.312 2.561 6.555 1.00 0.00 C ATOM 815 CZ PHE A 54 -0.048 2.647 6.232 1.00 0.00 C ATOM 0 H PHE A 54 5.031 1.604 2.490 1.00 0.00 H new ATOM 0 HA PHE A 54 2.127 1.726 2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.874 3.597 3.663 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.628 4.303 2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.223 3.468 2.942 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.333 2.752 5.825 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.495 3.039 4.682 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.613 2.303 7.560 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.793 2.460 6.991 1.00 0.00 H new ATOM 825 N VAL A 55 2.464 3.128 0.017 1.00 0.00 N ATOM 826 CA VAL A 55 2.635 3.721 -1.303 1.00 0.00 C ATOM 827 C VAL A 55 1.606 4.822 -1.490 1.00 0.00 C ATOM 828 O VAL A 55 0.494 4.730 -0.979 1.00 0.00 O ATOM 829 CB VAL A 55 2.494 2.653 -2.400 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.600 3.271 -3.795 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.609 1.624 -2.263 1.00 0.00 C ATOM 0 H VAL A 55 1.487 2.979 0.268 1.00 0.00 H new ATOM 0 HA VAL A 55 3.636 4.146 -1.381 1.00 0.00 H new ATOM 0 HB VAL A 55 1.515 2.189 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.496 2.490 -4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.809 4.009 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.570 3.755 -3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.505 0.869 -3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.575 2.119 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.546 1.147 -1.285 1.00 0.00 H new ATOM 841 N GLN A 56 1.983 5.863 -2.230 1.00 0.00 N ATOM 842 CA GLN A 56 1.124 6.994 -2.505 1.00 0.00 C ATOM 843 C GLN A 56 1.059 7.221 -4.011 1.00 0.00 C ATOM 844 O GLN A 56 2.094 7.214 -4.679 1.00 0.00 O ATOM 845 CB GLN A 56 1.687 8.216 -1.772 1.00 0.00 C ATOM 846 CG GLN A 56 0.742 9.417 -1.838 1.00 0.00 C ATOM 847 CD GLN A 56 -0.483 9.218 -0.958 1.00 0.00 C ATOM 848 OE1 GLN A 56 -0.375 8.872 0.214 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.667 9.443 -1.518 1.00 0.00 N ATOM 0 H GLN A 56 2.906 5.938 -2.657 1.00 0.00 H new ATOM 0 HA GLN A 56 0.109 6.812 -2.152 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.872 7.958 -0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.648 8.488 -2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.273 10.316 -1.524 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.427 9.576 -2.869 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.723 9.730 -2.495 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.520 9.329 -0.971 1.00 0.00 H new ATOM 858 N TYR A 57 -0.148 7.421 -4.540 1.00 0.00 N ATOM 859 CA TYR A 57 -0.374 7.641 -5.959 1.00 0.00 C ATOM 860 C TYR A 57 -0.938 9.037 -6.203 1.00 0.00 C ATOM 861 O TYR A 57 -1.231 9.774 -5.264 1.00 0.00 O ATOM 862 CB TYR A 57 -1.342 6.590 -6.498 1.00 0.00 C ATOM 863 CG TYR A 57 -0.792 5.186 -6.487 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.359 4.896 -7.231 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.429 4.175 -5.752 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.897 3.604 -7.219 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.892 2.884 -5.730 1.00 0.00 C ATOM 868 CZ TYR A 57 0.280 2.598 -6.457 1.00 0.00 C ATOM 869 OH TYR A 57 0.818 1.352 -6.423 1.00 0.00 O ATOM 0 H TYR A 57 -1.003 7.434 -3.984 1.00 0.00 H new ATOM 0 HA TYR A 57 0.580 7.556 -6.480 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.257 6.616 -5.905 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.616 6.854 -7.519 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.832 5.671 -7.815 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.333 4.394 -5.204 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.784 3.381 -7.794 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.375 2.107 -5.156 1.00 0.00 H new ATOM 0 HH TYR A 57 1.433 1.240 -7.178 1.00 0.00 H new ATOM 879 N VAL A 58 -1.092 9.397 -7.481 1.00 0.00 N ATOM 880 CA VAL A 58 -1.661 10.678 -7.870 1.00 0.00 C ATOM 881 C VAL A 58 -3.151 10.712 -7.528 1.00 0.00 C ATOM 882 O VAL A 58 -3.678 11.778 -7.217 1.00 0.00 O ATOM 883 CB VAL A 58 -1.431 10.894 -9.371 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.160 12.142 -9.865 1.00 0.00 C ATOM 885 CG2 VAL A 58 0.061 11.058 -9.652 1.00 0.00 C ATOM 0 H VAL A 58 -0.825 8.806 -8.268 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.174 11.485 -7.322 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.820 10.022 -9.896 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.979 12.270 -10.932 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.230 12.032 -9.689 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.792 13.015 -9.327 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.215 11.211 -10.720 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.442 11.919 -9.103 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.592 10.161 -9.333 1.00 0.00 H new ATOM 895 N ASN A 59 -3.835 9.563 -7.579 1.00 0.00 N ATOM 896 CA ASN A 59 -5.245 9.511 -7.237 1.00 0.00 C ATOM 897 C ASN A 59 -5.677 8.119 -6.786 1.00 0.00 C ATOM 898 O ASN A 59 -4.950 7.142 -6.964 1.00 0.00 O ATOM 899 CB ASN A 59 -6.089 10.014 -8.411 1.00 0.00 C ATOM 900 CG ASN A 59 -6.502 8.923 -9.382 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.691 8.659 -9.528 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.546 8.283 -10.045 1.00 0.00 N ATOM 0 H ASN A 59 -3.431 8.667 -7.853 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.410 10.171 -6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.984 10.498 -8.021 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.525 10.774 -8.952 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.790 7.543 -10.703 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.568 8.532 -9.896 1.00 0.00 H new ATOM 909 N GLU A 60 -6.874 8.036 -6.200 1.00 0.00 N ATOM 910 CA GLU A 60 -7.445 6.797 -5.691 1.00 0.00 C ATOM 911 C GLU A 60 -7.561 5.715 -6.766 1.00 0.00 C ATOM 912 O GLU A 60 -7.463 4.536 -6.440 1.00 0.00 O ATOM 913 CB GLU A 60 -8.817 7.127 -5.099 1.00 0.00 C ATOM 914 CG GLU A 60 -9.530 5.874 -4.582 1.00 0.00 C ATOM 915 CD GLU A 60 -10.865 6.203 -3.916 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.184 7.408 -3.781 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.569 5.238 -3.539 1.00 0.00 O ATOM 0 H GLU A 60 -7.480 8.845 -6.066 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.781 6.386 -4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.699 7.840 -4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.434 7.609 -5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.699 5.186 -5.411 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.886 5.360 -3.868 1.00 0.00 H new ATOM 924 N ARG A 61 -7.761 6.075 -8.038 1.00 0.00 N ATOM 925 CA ARG A 61 -7.867 5.069 -9.092 1.00 0.00 C ATOM 926 C ARG A 61 -6.588 4.239 -9.140 1.00 0.00 C ATOM 927 O ARG A 61 -6.639 3.028 -9.337 1.00 0.00 O ATOM 928 CB ARG A 61 -8.119 5.764 -10.432 1.00 0.00 C ATOM 929 CG ARG A 61 -7.945 4.845 -11.644 1.00 0.00 C ATOM 930 CD ARG A 61 -8.796 3.587 -11.516 1.00 0.00 C ATOM 931 NE ARG A 61 -8.719 2.769 -12.732 1.00 0.00 N ATOM 932 CZ ARG A 61 -9.183 1.520 -12.819 1.00 0.00 C ATOM 933 NH1 ARG A 61 -9.749 0.927 -11.771 1.00 0.00 N ATOM 934 NH2 ARG A 61 -9.079 0.854 -13.965 1.00 0.00 N ATOM 0 H ARG A 61 -7.851 7.040 -8.356 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.702 4.399 -8.884 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.131 6.169 -10.437 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.437 6.609 -10.527 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.221 5.382 -12.552 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.896 4.567 -11.744 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.460 3.003 -10.659 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.833 3.864 -11.326 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.286 3.179 -13.559 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.833 1.427 -10.886 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.099 -0.028 -11.853 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.646 1.297 -14.775 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.433 -0.100 -14.034 1.00 0.00 H new ATOM 948 N ASN A 62 -5.437 4.886 -8.958 1.00 0.00 N ATOM 949 CA ASN A 62 -4.175 4.172 -8.994 1.00 0.00 C ATOM 950 C ASN A 62 -4.006 3.294 -7.754 1.00 0.00 C ATOM 951 O ASN A 62 -3.274 2.309 -7.794 1.00 0.00 O ATOM 952 CB ASN A 62 -3.049 5.194 -9.112 1.00 0.00 C ATOM 953 CG ASN A 62 -2.966 5.769 -10.515 1.00 0.00 C ATOM 954 OD1 ASN A 62 -3.047 6.978 -10.699 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.802 4.900 -11.507 1.00 0.00 N ATOM 0 H ASN A 62 -5.359 5.889 -8.787 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.151 3.504 -9.855 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.211 6.000 -8.396 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.100 4.724 -8.853 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.738 5.231 -12.470 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.740 3.902 -11.306 1.00 0.00 H new ATOM 962 N ALA A 63 -4.680 3.642 -6.655 1.00 0.00 N ATOM 963 CA ALA A 63 -4.632 2.848 -5.438 1.00 0.00 C ATOM 964 C ALA A 63 -5.477 1.587 -5.598 1.00 0.00 C ATOM 965 O ALA A 63 -5.092 0.522 -5.126 1.00 0.00 O ATOM 966 CB ALA A 63 -5.123 3.687 -4.258 1.00 0.00 C ATOM 0 H ALA A 63 -5.267 4.474 -6.589 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.603 2.543 -5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.086 3.090 -3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.485 4.563 -4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.149 4.007 -4.441 1.00 0.00 H new ATOM 972 N ARG A 64 -6.627 1.701 -6.267 1.00 0.00 N ATOM 973 CA ARG A 64 -7.505 0.556 -6.493 1.00 0.00 C ATOM 974 C ARG A 64 -6.859 -0.426 -7.470 1.00 0.00 C ATOM 975 O ARG A 64 -7.174 -1.615 -7.449 1.00 0.00 O ATOM 976 CB ARG A 64 -8.848 1.029 -7.056 1.00 0.00 C ATOM 977 CG ARG A 64 -9.598 1.978 -6.120 1.00 0.00 C ATOM 978 CD ARG A 64 -9.965 1.323 -4.792 1.00 0.00 C ATOM 979 NE ARG A 64 -10.698 2.270 -3.946 1.00 0.00 N ATOM 980 CZ ARG A 64 -11.273 1.966 -2.781 1.00 0.00 C ATOM 981 NH1 ARG A 64 -11.215 0.736 -2.279 1.00 0.00 N ATOM 982 NH2 ARG A 64 -11.920 2.903 -2.100 1.00 0.00 N ATOM 0 H ARG A 64 -6.970 2.577 -6.661 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.669 0.052 -5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.678 1.530 -8.009 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.475 0.161 -7.259 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.982 2.857 -5.930 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.506 2.326 -6.613 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.574 0.437 -4.971 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.062 0.991 -4.280 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.774 3.233 -4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.723 0.001 -2.787 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.662 0.528 -1.386 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.977 3.853 -2.467 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.361 2.673 -1.209 1.00 0.00 H new ATOM 996 N ALA A 65 -5.955 0.063 -8.325 1.00 0.00 N ATOM 997 CA ALA A 65 -5.288 -0.782 -9.302 1.00 0.00 C ATOM 998 C ALA A 65 -4.131 -1.550 -8.661 1.00 0.00 C ATOM 999 O ALA A 65 -3.845 -2.678 -9.055 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.800 0.095 -10.452 1.00 0.00 C ATOM 0 H ALA A 65 -5.673 1.043 -8.355 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.989 -1.524 -9.685 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.297 -0.525 -11.194 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.651 0.596 -10.914 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.103 0.841 -10.070 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.463 -0.952 -7.671 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.363 -1.615 -6.992 1.00 0.00 C ATOM 1008 C ALA A 66 -2.879 -2.572 -5.917 1.00 0.00 C ATOM 1009 O ALA A 66 -2.283 -3.619 -5.686 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.451 -0.549 -6.405 1.00 0.00 C ATOM 0 H ALA A 66 -3.669 -0.014 -7.328 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.799 -2.221 -7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.617 -1.027 -5.890 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.068 0.084 -7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.013 0.061 -5.698 1.00 0.00 H new ATOM 1016 N VAL A 67 -3.987 -2.216 -5.262 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.628 -3.094 -4.295 1.00 0.00 C ATOM 1018 C VAL A 67 -5.155 -4.346 -4.996 1.00 0.00 C ATOM 1019 O VAL A 67 -5.134 -5.429 -4.421 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.772 -2.344 -3.603 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.665 -3.291 -2.801 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.199 -1.305 -2.640 1.00 0.00 C ATOM 0 H VAL A 67 -4.457 -1.320 -5.389 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.900 -3.400 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.367 -1.869 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.464 -2.722 -2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.098 -4.036 -3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.071 -3.791 -2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.015 -0.774 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.588 -1.804 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.585 -0.595 -3.194 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.625 -4.209 -6.237 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.123 -5.349 -6.992 1.00 0.00 C ATOM 1034 C ALA A 68 -5.016 -6.016 -7.815 1.00 0.00 C ATOM 1035 O ALA A 68 -5.228 -7.097 -8.363 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.279 -4.893 -7.883 1.00 0.00 C ATOM 0 H ALA A 68 -5.669 -3.320 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.483 -6.102 -6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.657 -5.743 -8.452 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.078 -4.487 -7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.927 -4.124 -8.571 1.00 0.00 H new ATOM 1042 N GLY A 69 -3.842 -5.382 -7.907 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.740 -5.895 -8.706 1.00 0.00 C ATOM 1044 C GLY A 69 -1.651 -6.588 -7.884 1.00 0.00 C ATOM 1045 O GLY A 69 -0.818 -7.283 -8.459 1.00 0.00 O ATOM 0 H GLY A 69 -3.636 -4.504 -7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.132 -6.600 -9.439 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.293 -5.071 -9.263 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.639 -6.415 -6.555 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.556 -6.925 -5.717 1.00 0.00 C ATOM 1051 C GLU A 70 -1.068 -7.649 -4.471 1.00 0.00 C ATOM 1052 O GLU A 70 -0.330 -8.432 -3.877 1.00 0.00 O ATOM 1053 CB GLU A 70 0.337 -5.759 -5.297 1.00 0.00 C ATOM 1054 CG GLU A 70 1.168 -5.232 -6.463 1.00 0.00 C ATOM 1055 CD GLU A 70 2.305 -6.191 -6.811 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.207 -6.348 -5.958 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.279 -6.765 -7.924 1.00 0.00 O ATOM 0 H GLU A 70 -2.371 -5.924 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 70 0.004 -7.653 -6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.280 -4.954 -4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.000 -6.080 -4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.528 -5.091 -7.334 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.578 -4.255 -6.208 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.313 -7.415 -4.053 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.840 -8.102 -2.883 1.00 0.00 C ATOM 1066 C ASP A 71 -2.867 -9.610 -3.130 1.00 0.00 C ATOM 1067 O ASP A 71 -3.575 -10.088 -4.017 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.236 -7.570 -2.571 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.836 -8.249 -1.344 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -4.057 -8.534 -0.409 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -6.063 -8.481 -1.341 1.00 0.00 O ATOM 0 H ASP A 71 -2.961 -6.767 -4.500 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.196 -7.914 -2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.187 -6.494 -2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.887 -7.730 -3.430 1.00 0.00 H new ATOM 1076 N GLY A 72 -2.095 -10.368 -2.343 1.00 0.00 N ATOM 1077 CA GLY A 72 -2.035 -11.815 -2.483 1.00 0.00 C ATOM 1078 C GLY A 72 -0.954 -12.229 -3.469 1.00 0.00 C ATOM 1079 O GLY A 72 -0.875 -13.397 -3.846 1.00 0.00 O ATOM 0 H GLY A 72 -1.503 -9.995 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.838 -12.269 -1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.001 -12.191 -2.820 1.00 0.00 H new ATOM 1083 N ARG A 73 -0.114 -11.276 -3.890 1.00 0.00 N ATOM 1084 CA ARG A 73 1.056 -11.583 -4.693 1.00 0.00 C ATOM 1085 C ARG A 73 2.087 -12.175 -3.745 1.00 0.00 C ATOM 1086 O ARG A 73 1.906 -12.114 -2.530 1.00 0.00 O ATOM 1087 CB ARG A 73 1.549 -10.324 -5.410 1.00 0.00 C ATOM 1088 CG ARG A 73 2.308 -9.390 -4.462 1.00 0.00 C ATOM 1089 CD ARG A 73 3.809 -9.489 -4.707 1.00 0.00 C ATOM 1090 NE ARG A 73 4.142 -8.920 -6.015 1.00 0.00 N ATOM 1091 CZ ARG A 73 5.026 -9.402 -6.894 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.735 -10.499 -6.646 1.00 0.00 N ATOM 1093 NH2 ARG A 73 5.200 -8.768 -8.049 1.00 0.00 N ATOM 0 H ARG A 73 -0.231 -10.284 -3.682 1.00 0.00 H new ATOM 0 HA ARG A 73 0.839 -12.302 -5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.199 -10.608 -6.238 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.699 -9.794 -5.839 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.976 -8.363 -4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.084 -9.651 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.349 -8.959 -3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.125 -10.531 -4.664 1.00 0.00 H new ATOM 0 HE ARG A 73 3.649 -8.068 -6.283 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.612 -10.997 -5.765 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.402 -10.842 -7.337 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.663 -7.926 -8.254 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.871 -9.124 -8.730 1.00 0.00 H new ATOM 1107 N MET A 74 3.168 -12.746 -4.269 1.00 0.00 N ATOM 1108 CA MET A 74 4.154 -13.386 -3.423 1.00 0.00 C ATOM 1109 C MET A 74 5.462 -12.623 -3.515 1.00 0.00 C ATOM 1110 O MET A 74 6.012 -12.450 -4.601 1.00 0.00 O ATOM 1111 CB MET A 74 4.287 -14.855 -3.819 1.00 0.00 C ATOM 1112 CG MET A 74 5.138 -15.603 -2.792 1.00 0.00 C ATOM 1113 SD MET A 74 4.908 -17.397 -2.828 1.00 0.00 S ATOM 1114 CE MET A 74 3.232 -17.467 -2.146 1.00 0.00 C ATOM 0 H MET A 74 3.377 -12.776 -5.267 1.00 0.00 H new ATOM 0 HA MET A 74 3.844 -13.366 -2.378 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.300 -15.312 -3.886 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.743 -14.933 -4.806 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.189 -15.376 -2.970 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.897 -15.234 -1.795 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.933 -18.508 -2.021 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.212 -16.965 -1.179 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.541 -16.970 -2.827 1.00 0.00 H new ATOM 1124 N ILE A 75 5.957 -12.165 -2.365 1.00 0.00 N ATOM 1125 CA ILE A 75 7.201 -11.421 -2.296 1.00 0.00 C ATOM 1126 C ILE A 75 8.088 -12.020 -1.214 1.00 0.00 C ATOM 1127 O ILE A 75 7.622 -12.332 -0.121 1.00 0.00 O ATOM 1128 CB ILE A 75 6.890 -9.928 -2.099 1.00 0.00 C ATOM 1129 CG1 ILE A 75 7.186 -9.222 -3.426 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.678 -9.322 -0.937 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.861 -7.726 -3.401 1.00 0.00 C ATOM 0 H ILE A 75 5.504 -12.302 -1.462 1.00 0.00 H new ATOM 0 HA ILE A 75 7.762 -11.497 -3.227 1.00 0.00 H new ATOM 0 HB ILE A 75 5.842 -9.797 -1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.239 -9.354 -3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.611 -9.699 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.425 -8.267 -0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.426 -9.845 -0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.746 -9.422 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.094 -7.287 -4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.802 -7.587 -3.185 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.456 -7.237 -2.629 1.00 0.00 H new ATOM 1143 N ALA A 76 9.376 -12.178 -1.530 1.00 0.00 N ATOM 1144 CA ALA A 76 10.332 -12.840 -0.653 1.00 0.00 C ATOM 1145 C ALA A 76 9.875 -14.247 -0.251 1.00 0.00 C ATOM 1146 O ALA A 76 10.383 -14.813 0.717 1.00 0.00 O ATOM 1147 CB ALA A 76 10.635 -11.959 0.553 1.00 0.00 C ATOM 0 H ALA A 76 9.782 -11.847 -2.406 1.00 0.00 H new ATOM 0 HA ALA A 76 11.260 -12.981 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.351 -12.464 1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.056 -11.012 0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.715 -11.770 1.106 1.00 0.00 H new ATOM 1153 N GLY A 77 8.915 -14.813 -0.989 1.00 0.00 N ATOM 1154 CA GLY A 77 8.376 -16.136 -0.716 1.00 0.00 C ATOM 1155 C GLY A 77 7.187 -16.082 0.240 1.00 0.00 C ATOM 1156 O GLY A 77 6.679 -17.130 0.640 1.00 0.00 O ATOM 0 H GLY A 77 8.491 -14.357 -1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.068 -16.602 -1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.157 -16.765 -0.288 1.00 0.00 H new ATOM 1160 N GLN A 78 6.738 -14.879 0.612 1.00 0.00 N ATOM 1161 CA GLN A 78 5.625 -14.694 1.525 1.00 0.00 C ATOM 1162 C GLN A 78 4.553 -13.807 0.882 1.00 0.00 C ATOM 1163 O GLN A 78 4.851 -12.743 0.340 1.00 0.00 O ATOM 1164 CB GLN A 78 6.197 -14.128 2.828 1.00 0.00 C ATOM 1165 CG GLN A 78 5.123 -13.692 3.824 1.00 0.00 C ATOM 1166 CD GLN A 78 5.253 -12.201 4.101 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.445 -11.777 5.238 1.00 0.00 O ATOM 1168 NE2 GLN A 78 5.153 -11.394 3.049 1.00 0.00 N ATOM 0 H GLN A 78 7.146 -14.005 0.281 1.00 0.00 H new ATOM 0 HA GLN A 78 5.120 -15.633 1.751 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.831 -14.882 3.295 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.834 -13.275 2.596 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.133 -13.912 3.425 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.225 -14.254 4.752 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.993 -11.784 2.120 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.236 -10.385 3.171 1.00 0.00 H new ATOM 1177 N VAL A 79 3.297 -14.255 0.947 1.00 0.00 N ATOM 1178 CA VAL A 79 2.145 -13.560 0.379 1.00 0.00 C ATOM 1179 C VAL A 79 1.954 -12.214 1.065 1.00 0.00 C ATOM 1180 O VAL A 79 2.114 -12.110 2.279 1.00 0.00 O ATOM 1181 CB VAL A 79 0.893 -14.425 0.561 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.319 -13.766 -0.087 1.00 0.00 C ATOM 1183 CG2 VAL A 79 1.081 -15.798 -0.087 1.00 0.00 C ATOM 0 H VAL A 79 3.050 -15.131 1.407 1.00 0.00 H new ATOM 0 HA VAL A 79 2.315 -13.387 -0.684 1.00 0.00 H new ATOM 0 HB VAL A 79 0.733 -14.535 1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.196 -14.398 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.494 -12.794 0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.135 -13.635 -1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.179 -16.394 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.270 -15.674 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.928 -16.305 0.375 1.00 0.00 H new ATOM 1193 N LEU A 80 1.613 -11.185 0.288 1.00 0.00 N ATOM 1194 CA LEU A 80 1.343 -9.860 0.839 1.00 0.00 C ATOM 1195 C LEU A 80 -0.144 -9.679 1.110 1.00 0.00 C ATOM 1196 O LEU A 80 -0.980 -10.350 0.503 1.00 0.00 O ATOM 1197 CB LEU A 80 1.842 -8.762 -0.101 1.00 0.00 C ATOM 1198 CG LEU A 80 3.319 -8.919 -0.460 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.771 -7.672 -1.209 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.179 -9.072 0.791 1.00 0.00 C ATOM 0 H LEU A 80 1.518 -11.246 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 80 1.883 -9.778 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.247 -8.773 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.688 -7.790 0.368 1.00 0.00 H new ATOM 0 HG LEU A 80 3.435 -9.813 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.824 -7.768 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.178 -7.558 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.634 -6.797 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.224 -9.182 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.067 -8.189 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.861 -9.955 1.345 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.471 -8.763 2.020 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.847 -8.394 2.298 1.00 0.00 C ATOM 1214 C ASP A 81 -1.987 -6.888 2.097 1.00 0.00 C ATOM 1215 O ASP A 81 -1.582 -6.097 2.946 1.00 0.00 O ATOM 1216 CB ASP A 81 -2.248 -8.838 3.704 1.00 0.00 C ATOM 1217 CG ASP A 81 -3.757 -8.709 3.880 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -4.483 -9.313 3.061 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -4.173 -8.009 4.831 1.00 0.00 O ATOM 0 H ASP A 81 0.215 -8.259 2.582 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.528 -8.901 1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.941 -9.871 3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.733 -8.229 4.447 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.566 -6.498 0.962 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.589 -5.116 0.513 1.00 0.00 C ATOM 1226 C ILE A 82 -4.027 -4.607 0.430 1.00 0.00 C ATOM 1227 O ILE A 82 -4.915 -5.326 -0.022 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.857 -5.033 -0.826 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.383 -5.368 -0.578 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -1.974 -3.638 -1.451 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.311 -5.802 -1.860 1.00 0.00 C ATOM 0 H ILE A 82 -3.035 -7.143 0.326 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.077 -4.470 1.226 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.308 -5.738 -1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.125 -4.497 -0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.309 -6.162 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.441 -3.619 -2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.025 -3.402 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.540 -2.900 -0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.355 -6.032 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.182 -6.688 -2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.258 -4.997 -2.593 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.253 -3.365 0.866 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.573 -2.755 0.828 1.00 0.00 C ATOM 1245 C ASN A 83 -5.477 -1.230 0.829 1.00 0.00 C ATOM 1246 O ASN A 83 -4.432 -0.659 1.135 1.00 0.00 O ATOM 1247 CB ASN A 83 -6.397 -3.242 2.025 1.00 0.00 C ATOM 1248 CG ASN A 83 -5.763 -2.895 3.365 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -5.085 -3.720 3.968 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -5.976 -1.675 3.843 1.00 0.00 N ATOM 0 H ASN A 83 -3.527 -2.762 1.252 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.068 -3.053 -0.096 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.393 -2.802 1.976 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.522 -4.323 1.957 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.571 -1.400 4.738 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.545 -1.013 3.316 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.586 -0.573 0.483 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.713 0.873 0.530 1.00 0.00 C ATOM 1259 C LEU A 84 -6.462 1.334 1.967 1.00 0.00 C ATOM 1260 O LEU A 84 -7.032 0.767 2.894 1.00 0.00 O ATOM 1261 CB LEU A 84 -8.135 1.186 0.046 1.00 0.00 C ATOM 1262 CG LEU A 84 -8.378 2.584 -0.521 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -8.181 3.679 0.525 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -7.480 2.847 -1.726 1.00 0.00 C ATOM 0 H LEU A 84 -7.430 -1.044 0.158 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.993 1.396 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.401 0.458 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.819 1.034 0.881 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.421 2.614 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.365 4.653 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.878 3.525 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.159 3.642 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.672 3.848 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.435 2.768 -1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.690 2.113 -2.504 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.620 2.354 2.158 1.00 0.00 N ATOM 1277 CA ALA A 85 -5.207 2.829 3.475 1.00 0.00 C ATOM 1278 C ALA A 85 -6.351 3.380 4.333 1.00 0.00 C ATOM 1279 O ALA A 85 -6.104 3.840 5.447 1.00 0.00 O ATOM 1280 CB ALA A 85 -4.129 3.891 3.294 1.00 0.00 C ATOM 0 H ALA A 85 -5.202 2.878 1.389 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.826 1.965 4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.810 4.256 4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.276 3.458 2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.529 4.720 2.710 1.00 0.00 H new ATOM 1463 N LYS A 98 -1.799 -19.431 8.843 1.00 0.00 N ATOM 1464 CA LYS A 98 -0.869 -20.249 9.616 1.00 0.00 C ATOM 1465 C LYS A 98 -0.204 -21.325 8.757 1.00 0.00 C ATOM 1466 O LYS A 98 0.396 -22.255 9.293 1.00 0.00 O ATOM 1467 CB LYS A 98 -1.596 -20.866 10.817 1.00 0.00 C ATOM 1468 CG LYS A 98 -2.261 -19.826 11.723 1.00 0.00 C ATOM 1469 CD LYS A 98 -1.236 -18.880 12.349 1.00 0.00 C ATOM 1470 CE LYS A 98 -1.919 -17.893 13.298 1.00 0.00 C ATOM 1471 NZ LYS A 98 -2.521 -18.584 14.453 1.00 0.00 N ATOM 0 HA LYS A 98 -0.070 -19.604 9.980 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.354 -21.561 10.456 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.885 -21.447 11.404 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.983 -19.249 11.145 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.817 -20.333 12.512 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.487 -19.456 12.893 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.711 -18.334 11.565 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.192 -17.161 13.649 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.690 -17.343 12.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.717 -17.895 15.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.409 -19.039 14.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.862 -19.306 14.807 1.00 0.00 H new ATOM 1485 N ARG A 99 -0.309 -21.200 7.433 1.00 0.00 N ATOM 1486 CA ARG A 99 0.248 -22.153 6.487 1.00 0.00 C ATOM 1487 C ARG A 99 0.821 -21.432 5.271 1.00 0.00 C ATOM 1488 O ARG A 99 0.607 -20.233 5.097 1.00 0.00 O ATOM 1489 CB ARG A 99 -0.828 -23.156 6.098 1.00 0.00 C ATOM 1490 CG ARG A 99 -2.039 -22.477 5.471 1.00 0.00 C ATOM 1491 CD ARG A 99 -3.015 -23.589 5.122 1.00 0.00 C ATOM 1492 NE ARG A 99 -4.229 -23.066 4.482 1.00 0.00 N ATOM 1493 CZ ARG A 99 -5.278 -23.820 4.141 1.00 0.00 C ATOM 1494 NH1 ARG A 99 -5.278 -25.132 4.375 1.00 0.00 N ATOM 1495 NH2 ARG A 99 -6.335 -23.265 3.560 1.00 0.00 N ATOM 0 H ARG A 99 -0.792 -20.420 6.987 1.00 0.00 H new ATOM 0 HA ARG A 99 1.073 -22.694 6.951 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.413 -23.879 5.396 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -1.141 -23.713 6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -2.490 -21.767 6.164 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.753 -21.916 4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.531 -24.302 4.455 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -3.286 -24.132 6.027 1.00 0.00 H new ATOM 0 HE ARG A 99 -4.274 -22.066 4.286 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -4.471 -25.571 4.819 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.085 -25.697 4.110 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.347 -22.262 3.374 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.135 -23.841 3.300 1.00 0.00 H new ATOM 1509 N SER A 100 1.552 -22.160 4.426 1.00 0.00 N ATOM 1510 CA SER A 100 2.126 -21.606 3.208 1.00 0.00 C ATOM 1511 C SER A 100 1.047 -21.298 2.170 1.00 0.00 C ATOM 1512 O SER A 100 1.320 -20.623 1.179 1.00 0.00 O ATOM 1513 CB SER A 100 3.115 -22.616 2.630 1.00 0.00 C ATOM 1514 OG SER A 100 4.239 -22.719 3.477 1.00 0.00 O ATOM 0 H SER A 100 1.760 -23.148 4.570 1.00 0.00 H new ATOM 0 HA SER A 100 2.629 -20.671 3.454 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.636 -23.590 2.525 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.426 -22.305 1.633 1.00 0.00 H new ATOM 0 HG SER A 100 4.871 -23.369 3.104 1.00 0.00 H new ATOM 1520 N ALA A 101 -0.172 -21.797 2.400 1.00 0.00 N ATOM 1521 CA ALA A 101 -1.302 -21.686 1.482 1.00 0.00 C ATOM 1522 C ALA A 101 -0.975 -22.171 0.065 1.00 0.00 C ATOM 1523 O ALA A 101 -1.753 -21.936 -0.860 1.00 0.00 O ATOM 1524 CB ALA A 101 -1.852 -20.258 1.511 1.00 0.00 C ATOM 0 H ALA A 101 -0.403 -22.303 3.255 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.085 -22.361 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.695 -20.179 0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.182 -20.016 2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.071 -19.561 1.208 1.00 0.00 H new ATOM 1530 N ALA A 102 0.165 -22.847 -0.114 1.00 0.00 N ATOM 1531 CA ALA A 102 0.611 -23.351 -1.406 1.00 0.00 C ATOM 1532 C ALA A 102 1.386 -24.664 -1.251 1.00 0.00 C ATOM 1533 O ALA A 102 1.972 -25.159 -2.212 1.00 0.00 O ATOM 1534 CB ALA A 102 1.457 -22.282 -2.093 1.00 0.00 C ATOM 0 H ALA A 102 0.809 -23.059 0.648 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.258 -23.569 -2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.795 -22.652 -3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.859 -21.382 -2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.322 -22.048 -1.472 1.00 0.00 H new ATOM 1540 N GLU A 103 1.390 -25.230 -0.040 1.00 0.00 N ATOM 1541 CA GLU A 103 2.131 -26.446 0.271 1.00 0.00 C ATOM 1542 C GLU A 103 1.418 -27.703 -0.232 1.00 0.00 C ATOM 1543 O GLU A 103 1.934 -28.809 -0.076 1.00 0.00 O ATOM 1544 CB GLU A 103 2.363 -26.513 1.781 1.00 0.00 C ATOM 1545 CG GLU A 103 1.037 -26.503 2.548 1.00 0.00 C ATOM 1546 CD GLU A 103 1.289 -26.478 4.055 1.00 0.00 C ATOM 1547 OE1 GLU A 103 1.542 -25.369 4.575 1.00 0.00 O ATOM 1548 OE2 GLU A 103 1.225 -27.566 4.670 1.00 0.00 O ATOM 0 H GLU A 103 0.874 -24.851 0.754 1.00 0.00 H new ATOM 0 HA GLU A 103 3.089 -26.410 -0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.921 -27.417 2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.974 -25.667 2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 103 0.449 -25.632 2.257 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.452 -27.385 2.286 1.00 0.00 H new ATOM 1555 N MET A 104 0.237 -27.539 -0.831 1.00 0.00 N ATOM 1556 CA MET A 104 -0.565 -28.642 -1.332 1.00 0.00 C ATOM 1557 C MET A 104 -0.935 -28.467 -2.806 1.00 0.00 C ATOM 1558 O MET A 104 -1.739 -29.236 -3.335 1.00 0.00 O ATOM 1559 CB MET A 104 -1.802 -28.811 -0.449 1.00 0.00 C ATOM 1560 CG MET A 104 -2.683 -27.558 -0.466 1.00 0.00 C ATOM 1561 SD MET A 104 -4.182 -27.687 0.549 1.00 0.00 S ATOM 1562 CE MET A 104 -3.434 -27.830 2.190 1.00 0.00 C ATOM 0 H MET A 104 -0.189 -26.624 -0.980 1.00 0.00 H new ATOM 0 HA MET A 104 0.031 -29.553 -1.283 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.381 -29.668 -0.793 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.493 -29.025 0.574 1.00 0.00 H new ATOM 0 HG2 MET A 104 -2.094 -26.709 -0.118 1.00 0.00 H new ATOM 0 HG3 MET A 104 -2.972 -27.345 -1.495 1.00 0.00 H new ATOM 0 HE1 MET A 104 -4.192 -27.652 2.952 1.00 0.00 H new ATOM 0 HE2 MET A 104 -3.021 -28.831 2.316 1.00 0.00 H new ATOM 0 HE3 MET A 104 -2.637 -27.093 2.292 1.00 0.00 H new ATOM 1572 N TYR A 105 -0.353 -27.464 -3.468 1.00 0.00 N ATOM 1573 CA TYR A 105 -0.598 -27.198 -4.881 1.00 0.00 C ATOM 1574 C TYR A 105 0.714 -27.140 -5.666 1.00 0.00 C ATOM 1575 O TYR A 105 0.693 -27.053 -6.893 1.00 0.00 O ATOM 1576 CB TYR A 105 -1.364 -25.884 -5.031 1.00 0.00 C ATOM 1577 CG TYR A 105 -2.601 -25.783 -4.168 1.00 0.00 C ATOM 1578 CD1 TYR A 105 -3.659 -26.689 -4.339 1.00 0.00 C ATOM 1579 CD2 TYR A 105 -2.684 -24.779 -3.194 1.00 0.00 C ATOM 1580 CE1 TYR A 105 -4.803 -26.590 -3.531 1.00 0.00 C ATOM 1581 CE2 TYR A 105 -3.820 -24.675 -2.380 1.00 0.00 C ATOM 1582 CZ TYR A 105 -4.887 -25.585 -2.547 1.00 0.00 C ATOM 1583 OH TYR A 105 -5.997 -25.496 -1.761 1.00 0.00 O ATOM 0 H TYR A 105 0.303 -26.814 -3.035 1.00 0.00 H new ATOM 0 HA TYR A 105 -1.196 -28.013 -5.289 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -0.696 -25.058 -4.787 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -1.653 -25.762 -6.075 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -3.593 -27.461 -5.091 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -1.868 -24.082 -3.070 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.619 -27.285 -3.664 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -3.879 -23.902 -1.628 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.895 -24.750 -1.133 1.00 0.00 H new ATOM 1593 N GLY A 106 1.853 -27.187 -4.965 1.00 0.00 N ATOM 1594 CA GLY A 106 3.171 -27.147 -5.580 1.00 0.00 C ATOM 1595 C GLY A 106 3.462 -28.432 -6.349 1.00 0.00 C ATOM 1596 O GLY A 106 2.627 -29.332 -6.387 1.00 0.00 O ATOM 1597 OXT GLY A 106 4.517 -28.593 -6.938 1.00 0.00 O ATOM 0 H GLY A 106 1.879 -27.254 -3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.234 -26.294 -6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.929 -27.001 -4.811 1.00 0.00 H new