USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=16 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= -0.952 K(o=-1.2,f=-6.5!) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.248 K(o=-1.2,f=-2.8) 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 180:sc= 0 USER MOD Set 2.3: A 49 HIS :FLIP no HD1:sc= -0.903 F(o=-1.6,f=-0.9) USER MOD Set 3.1: A 39 LYS NZ :NH3+ -141:sc= 0.184 (180deg=-0.0884) USER MOD Set 3.2: A 40 TYR OH : rot -84:sc= 0.155 USER MOD Single : A 4 ASN : amide:sc= -0.0829 X(o=-0.083,f=0) USER MOD Single : A 6 THR OG1 : rot 130:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.37 K(o=-0.37,f=-3!) USER MOD Single : A 16 SER OG : rot 35:sc= -0.151 USER MOD Single : A 22 ASN : amide:sc= -0.229 K(o=-0.23,f=-1.5!) USER MOD Single : A 24 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.57) USER MOD Single : A 25 THR OG1 : rot -9:sc= 0.672 USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= -0.0242 (180deg=-0.224) 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 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 123:sc= 0.0763 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.652 K(o=0.65,f=-3.8!) USER MOD Single : A 57 TYR OH : rot -17:sc= -0.652 USER MOD Single : A 74 MET CE :methyl 180:sc= -1.08 (180deg=-1.08) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.083 F(o=-0.84,f=-0.083) USER MOD Single : A 83 ASN : amide:sc= 0.668 K(o=0.67,f=-0.0016) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -165:sc= -0.0136 (180deg=-0.297) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N ASN A 4 9.839 10.131 0.199 1.00 0.00 N ATOM 25 CA ASN A 4 9.843 9.284 1.385 1.00 0.00 C ATOM 26 C ASN A 4 8.611 9.524 2.263 1.00 0.00 C ATOM 27 O ASN A 4 8.526 8.971 3.357 1.00 0.00 O ATOM 28 CB ASN A 4 11.143 9.505 2.158 1.00 0.00 C ATOM 29 CG ASN A 4 11.284 10.946 2.632 1.00 0.00 C ATOM 30 OD1 ASN A 4 11.892 11.766 1.954 1.00 0.00 O ATOM 31 ND2 ASN A 4 10.724 11.266 3.795 1.00 0.00 N ATOM 0 HA ASN A 4 9.792 8.241 1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.173 8.836 3.018 1.00 0.00 H new ATOM 0 HB3 ASN A 4 11.991 9.247 1.524 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.793 12.220 4.149 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.225 10.557 4.333 1.00 0.00 H new ATOM 38 N VAL A 5 7.665 10.342 1.793 1.00 0.00 N ATOM 39 CA VAL A 5 6.483 10.718 2.558 1.00 0.00 C ATOM 40 C VAL A 5 5.262 9.929 2.096 1.00 0.00 C ATOM 41 O VAL A 5 5.019 9.805 0.897 1.00 0.00 O ATOM 42 CB VAL A 5 6.268 12.231 2.442 1.00 0.00 C ATOM 43 CG1 VAL A 5 4.978 12.666 3.136 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.440 12.962 3.096 1.00 0.00 C ATOM 0 H VAL A 5 7.702 10.762 0.864 1.00 0.00 H new ATOM 0 HA VAL A 5 6.634 10.471 3.609 1.00 0.00 H new ATOM 0 HB VAL A 5 6.198 12.479 1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.856 13.744 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.129 12.160 2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.027 12.404 4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.289 14.038 3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.502 12.683 4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.367 12.687 2.593 1.00 0.00 H new ATOM 54 N THR A 6 4.497 9.398 3.056 1.00 0.00 N ATOM 55 CA THR A 6 3.295 8.617 2.785 1.00 0.00 C ATOM 56 C THR A 6 2.235 8.794 3.875 1.00 0.00 C ATOM 57 O THR A 6 1.265 8.040 3.890 1.00 0.00 O ATOM 58 CB THR A 6 3.625 7.124 2.644 1.00 0.00 C ATOM 59 OG1 THR A 6 4.303 6.664 3.794 1.00 0.00 O ATOM 60 CG2 THR A 6 4.509 6.833 1.433 1.00 0.00 C ATOM 0 H THR A 6 4.700 9.502 4.050 1.00 0.00 H new ATOM 0 HA THR A 6 2.891 8.992 1.845 1.00 0.00 H new ATOM 0 HB THR A 6 2.673 6.609 2.516 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.871 5.849 4.125 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.712 5.763 1.380 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.998 7.151 0.524 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.449 7.377 1.529 1.00 0.00 H new ATOM 68 N ASN A 7 2.384 9.764 4.787 1.00 0.00 N ATOM 69 CA ASN A 7 1.411 9.948 5.857 1.00 0.00 C ATOM 70 C ASN A 7 0.784 11.345 5.822 1.00 0.00 C ATOM 71 O ASN A 7 1.432 12.338 6.150 1.00 0.00 O ATOM 72 CB ASN A 7 2.066 9.654 7.209 1.00 0.00 C ATOM 73 CG ASN A 7 1.057 9.661 8.349 1.00 0.00 C ATOM 74 OD1 ASN A 7 -0.111 9.999 8.170 1.00 0.00 O ATOM 75 ND2 ASN A 7 1.503 9.284 9.541 1.00 0.00 N ATOM 0 H ASN A 7 3.162 10.424 4.801 1.00 0.00 H new ATOM 0 HA ASN A 7 0.595 9.241 5.707 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.559 8.683 7.168 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.839 10.397 7.406 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.870 9.269 10.341 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.478 9.009 9.657 1.00 0.00 H new ATOM 210 N SER A 16 -5.788 7.885 -2.081 1.00 0.00 N ATOM 211 CA SER A 16 -4.827 7.662 -3.152 1.00 0.00 C ATOM 212 C SER A 16 -3.597 6.922 -2.628 1.00 0.00 C ATOM 213 O SER A 16 -2.572 6.861 -3.302 1.00 0.00 O ATOM 214 CB SER A 16 -4.444 8.997 -3.780 1.00 0.00 C ATOM 215 OG SER A 16 -5.613 9.697 -4.147 1.00 0.00 O ATOM 0 HA SER A 16 -5.283 7.035 -3.919 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.860 9.588 -3.075 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.816 8.832 -4.656 1.00 0.00 H new ATOM 0 HG SER A 16 -6.323 9.510 -3.498 1.00 0.00 H new ATOM 221 N ARG A 17 -3.698 6.362 -1.420 1.00 0.00 N ATOM 222 CA ARG A 17 -2.618 5.675 -0.734 1.00 0.00 C ATOM 223 C ARG A 17 -2.943 4.192 -0.610 1.00 0.00 C ATOM 224 O ARG A 17 -4.111 3.808 -0.626 1.00 0.00 O ATOM 225 CB ARG A 17 -2.475 6.303 0.644 1.00 0.00 C ATOM 226 CG ARG A 17 -1.226 5.824 1.387 1.00 0.00 C ATOM 227 CD ARG A 17 -1.170 6.506 2.750 1.00 0.00 C ATOM 228 NE ARG A 17 -1.253 7.958 2.576 1.00 0.00 N ATOM 229 CZ ARG A 17 -1.880 8.793 3.400 1.00 0.00 C ATOM 230 NH1 ARG A 17 -2.405 8.374 4.548 1.00 0.00 N ATOM 231 NH2 ARG A 17 -1.979 10.074 3.063 1.00 0.00 N ATOM 0 H ARG A 17 -4.564 6.379 -0.881 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.686 5.770 -1.290 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.438 7.388 0.542 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.358 6.069 1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.252 4.741 1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.331 6.059 0.811 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.991 6.157 3.377 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.244 6.243 3.262 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.794 8.360 1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.332 7.392 4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.881 9.035 5.162 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.578 10.403 2.185 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.456 10.729 3.682 1.00 0.00 H new ATOM 245 N VAL A 18 -1.915 3.353 -0.484 1.00 0.00 N ATOM 246 CA VAL A 18 -2.095 1.922 -0.334 1.00 0.00 C ATOM 247 C VAL A 18 -1.281 1.409 0.846 1.00 0.00 C ATOM 248 O VAL A 18 -0.100 1.722 0.979 1.00 0.00 O ATOM 249 CB VAL A 18 -1.714 1.207 -1.632 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.881 -0.302 -1.486 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.622 1.698 -2.758 1.00 0.00 C ATOM 0 H VAL A 18 -0.940 3.652 -0.484 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.145 1.711 -0.130 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.671 1.427 -1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.605 -0.791 -2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.238 -0.663 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.920 -0.532 -1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.356 1.193 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.660 1.479 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.498 2.774 -2.882 1.00 0.00 H new ATOM 261 N PHE A 19 -1.931 0.614 1.697 1.00 0.00 N ATOM 262 CA PHE A 19 -1.293 -0.065 2.809 1.00 0.00 C ATOM 263 C PHE A 19 -0.818 -1.436 2.346 1.00 0.00 C ATOM 264 O PHE A 19 -1.563 -2.160 1.689 1.00 0.00 O ATOM 265 CB PHE A 19 -2.291 -0.188 3.964 1.00 0.00 C ATOM 266 CG PHE A 19 -1.778 -0.954 5.163 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.544 -0.616 5.734 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.532 -2.004 5.706 1.00 0.00 C ATOM 269 CE1 PHE A 19 -0.065 -1.322 6.847 1.00 0.00 C ATOM 270 CE2 PHE A 19 -2.052 -2.710 6.816 1.00 0.00 C ATOM 271 CZ PHE A 19 -0.820 -2.371 7.389 1.00 0.00 C ATOM 0 H PHE A 19 -2.931 0.425 1.626 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.430 0.502 3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.579 0.813 4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.193 -0.677 3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.040 0.191 5.316 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.483 -2.268 5.268 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.885 -1.057 7.286 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.634 -3.519 7.232 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.453 -2.916 8.246 1.00 0.00 H new ATOM 281 N ILE A 20 0.422 -1.794 2.685 1.00 0.00 N ATOM 282 CA ILE A 20 1.008 -3.077 2.324 1.00 0.00 C ATOM 283 C ILE A 20 1.401 -3.787 3.612 1.00 0.00 C ATOM 284 O ILE A 20 2.547 -3.720 4.051 1.00 0.00 O ATOM 285 CB ILE A 20 2.207 -2.866 1.389 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.772 -2.137 0.111 1.00 0.00 C ATOM 287 CG2 ILE A 20 2.859 -4.206 1.026 1.00 0.00 C ATOM 288 CD1 ILE A 20 2.974 -1.532 -0.610 1.00 0.00 C ATOM 0 H ILE A 20 1.049 -1.194 3.222 1.00 0.00 H new ATOM 0 HA ILE A 20 0.294 -3.696 1.780 1.00 0.00 H new ATOM 0 HB ILE A 20 2.938 -2.253 1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.258 -2.833 -0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.060 -1.351 0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.706 -4.031 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.205 -4.700 1.934 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.130 -4.841 0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.638 -1.021 -1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.471 -0.818 0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.673 -2.324 -0.880 1.00 0.00 H new ATOM 300 N GLY A 21 0.430 -4.466 4.216 1.00 0.00 N ATOM 301 CA GLY A 21 0.648 -5.224 5.432 1.00 0.00 C ATOM 302 C GLY A 21 1.194 -6.612 5.113 1.00 0.00 C ATOM 303 O GLY A 21 1.276 -7.008 3.950 1.00 0.00 O ATOM 0 H GLY A 21 -0.529 -4.503 3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.347 -4.692 6.077 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.288 -5.314 5.983 1.00 0.00 H new ATOM 307 N ASN A 22 1.565 -7.353 6.159 1.00 0.00 N ATOM 308 CA ASN A 22 2.124 -8.688 6.025 1.00 0.00 C ATOM 309 C ASN A 22 3.263 -8.700 5.004 1.00 0.00 C ATOM 310 O ASN A 22 3.314 -9.569 4.140 1.00 0.00 O ATOM 311 CB ASN A 22 1.017 -9.689 5.680 1.00 0.00 C ATOM 312 CG ASN A 22 1.502 -11.131 5.798 1.00 0.00 C ATOM 313 OD1 ASN A 22 2.453 -11.423 6.513 1.00 0.00 O ATOM 314 ND2 ASN A 22 0.842 -12.047 5.091 1.00 0.00 N ATOM 0 H ASN A 22 1.483 -7.037 7.125 1.00 0.00 H new ATOM 0 HA ASN A 22 2.556 -8.994 6.978 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.167 -9.535 6.345 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.664 -9.506 4.665 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.124 -13.026 5.135 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.054 -11.769 4.506 1.00 0.00 H new ATOM 321 N LEU A 23 4.177 -7.733 5.096 1.00 0.00 N ATOM 322 CA LEU A 23 5.319 -7.635 4.201 1.00 0.00 C ATOM 323 C LEU A 23 6.550 -8.236 4.880 1.00 0.00 C ATOM 324 O LEU A 23 6.715 -8.098 6.092 1.00 0.00 O ATOM 325 CB LEU A 23 5.506 -6.164 3.814 1.00 0.00 C ATOM 326 CG LEU A 23 6.656 -5.921 2.832 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.457 -6.661 1.515 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.741 -4.428 2.538 1.00 0.00 C ATOM 0 H LEU A 23 4.141 -6.995 5.799 1.00 0.00 H new ATOM 0 HA LEU A 23 5.158 -8.202 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.580 -5.794 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.684 -5.581 4.718 1.00 0.00 H new ATOM 0 HG LEU A 23 7.571 -6.293 3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.298 -6.457 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.396 -7.733 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.534 -6.323 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.556 -4.241 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.802 -4.090 2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.925 -3.885 3.465 1.00 0.00 H new ATOM 340 N ASN A 24 7.415 -8.903 4.107 1.00 0.00 N ATOM 341 CA ASN A 24 8.583 -9.561 4.677 1.00 0.00 C ATOM 342 C ASN A 24 9.595 -8.538 5.195 1.00 0.00 C ATOM 343 O ASN A 24 10.243 -8.774 6.210 1.00 0.00 O ATOM 344 CB ASN A 24 9.234 -10.442 3.608 1.00 0.00 C ATOM 345 CG ASN A 24 10.293 -11.347 4.224 1.00 0.00 C ATOM 346 OD1 ASN A 24 10.090 -11.926 5.288 1.00 0.00 O ATOM 347 ND2 ASN A 24 11.439 -11.471 3.561 1.00 0.00 N ATOM 0 H ASN A 24 7.325 -8.998 3.095 1.00 0.00 H new ATOM 0 HA ASN A 24 8.263 -10.173 5.520 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.473 -11.048 3.117 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.687 -9.815 2.840 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.183 -12.061 3.934 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.574 -10.976 2.680 1.00 0.00 H new ATOM 354 N THR A 25 9.715 -7.412 4.481 1.00 0.00 N ATOM 355 CA THR A 25 10.589 -6.275 4.783 1.00 0.00 C ATOM 356 C THR A 25 12.059 -6.631 5.010 1.00 0.00 C ATOM 357 O THR A 25 12.860 -5.753 5.334 1.00 0.00 O ATOM 358 CB THR A 25 10.019 -5.413 5.913 1.00 0.00 C ATOM 359 OG1 THR A 25 9.975 -6.110 7.138 1.00 0.00 O ATOM 360 CG2 THR A 25 8.602 -4.979 5.564 1.00 0.00 C ATOM 0 H THR A 25 9.174 -7.263 3.629 1.00 0.00 H new ATOM 0 HA THR A 25 10.599 -5.678 3.871 1.00 0.00 H new ATOM 0 HB THR A 25 10.677 -4.551 6.023 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.184 -7.055 6.984 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.200 -4.366 6.371 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.616 -4.400 4.641 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.974 -5.860 5.431 1.00 0.00 H new ATOM 368 N LEU A 26 12.432 -7.904 4.841 1.00 0.00 N ATOM 369 CA LEU A 26 13.811 -8.358 4.964 1.00 0.00 C ATOM 370 C LEU A 26 14.480 -8.462 3.591 1.00 0.00 C ATOM 371 O LEU A 26 15.704 -8.533 3.511 1.00 0.00 O ATOM 372 CB LEU A 26 13.830 -9.716 5.672 1.00 0.00 C ATOM 373 CG LEU A 26 14.113 -9.591 7.173 1.00 0.00 C ATOM 374 CD1 LEU A 26 13.050 -8.765 7.899 1.00 0.00 C ATOM 375 CD2 LEU A 26 14.147 -10.985 7.795 1.00 0.00 C ATOM 0 H LEU A 26 11.775 -8.651 4.613 1.00 0.00 H new ATOM 0 HA LEU A 26 14.373 -7.631 5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.870 -10.211 5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.589 -10.350 5.214 1.00 0.00 H new ATOM 0 HG LEU A 26 15.071 -9.083 7.282 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.296 -8.706 8.959 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.019 -7.760 7.477 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.076 -9.239 7.778 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.348 -10.902 8.863 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.185 -11.474 7.644 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.932 -11.575 7.323 1.00 0.00 H new ATOM 387 N VAL A 27 13.683 -8.469 2.517 1.00 0.00 N ATOM 388 CA VAL A 27 14.202 -8.557 1.156 1.00 0.00 C ATOM 389 C VAL A 27 13.675 -7.405 0.306 1.00 0.00 C ATOM 390 O VAL A 27 14.265 -7.077 -0.719 1.00 0.00 O ATOM 391 CB VAL A 27 13.824 -9.921 0.564 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.356 -10.088 -0.858 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.408 -11.049 1.417 1.00 0.00 C ATOM 0 H VAL A 27 12.666 -8.414 2.570 1.00 0.00 H new ATOM 0 HA VAL A 27 15.289 -8.473 1.168 1.00 0.00 H new ATOM 0 HB VAL A 27 12.735 -9.968 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.067 -11.066 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 27 13.938 -9.310 -1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.443 -10.007 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.132 -12.011 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.494 -10.961 1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.014 -10.980 2.431 1.00 0.00 H new ATOM 403 N VAL A 28 12.567 -6.787 0.730 1.00 0.00 N ATOM 404 CA VAL A 28 12.002 -5.636 0.033 1.00 0.00 C ATOM 405 C VAL A 28 12.257 -4.363 0.830 1.00 0.00 C ATOM 406 O VAL A 28 12.189 -4.376 2.058 1.00 0.00 O ATOM 407 CB VAL A 28 10.509 -5.851 -0.227 1.00 0.00 C ATOM 408 CG1 VAL A 28 9.914 -4.679 -1.006 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.304 -7.119 -1.054 1.00 0.00 C ATOM 0 H VAL A 28 12.044 -7.070 1.559 1.00 0.00 H new ATOM 0 HA VAL A 28 12.492 -5.527 -0.935 1.00 0.00 H new ATOM 0 HB VAL A 28 10.013 -5.936 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.852 -4.857 -1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.040 -3.760 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.425 -4.582 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.239 -7.267 -1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.825 -7.020 -2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.702 -7.976 -0.510 1.00 0.00 H new ATOM 419 N LYS A 29 12.553 -3.265 0.124 1.00 0.00 N ATOM 420 CA LYS A 29 12.829 -1.968 0.726 1.00 0.00 C ATOM 421 C LYS A 29 12.070 -0.877 -0.018 1.00 0.00 C ATOM 422 O LYS A 29 11.451 -1.132 -1.047 1.00 0.00 O ATOM 423 CB LYS A 29 14.338 -1.669 0.709 1.00 0.00 C ATOM 424 CG LYS A 29 15.138 -2.526 1.694 1.00 0.00 C ATOM 425 CD LYS A 29 15.562 -3.874 1.101 1.00 0.00 C ATOM 426 CE LYS A 29 16.420 -4.654 2.098 1.00 0.00 C ATOM 427 NZ LYS A 29 15.682 -4.940 3.345 1.00 0.00 N ATOM 0 H LYS A 29 12.607 -3.259 -0.895 1.00 0.00 H new ATOM 0 HA LYS A 29 12.496 -1.991 1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.722 -1.832 -0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.495 -0.616 0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.026 -1.977 2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.538 -2.700 2.587 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.679 -4.456 0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.122 -3.712 0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.745 -5.590 1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.319 -4.083 2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.202 -5.648 3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.586 -4.066 3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.738 -5.308 3.113 1.00 0.00 H new ATOM 441 N LYS A 30 12.120 0.349 0.506 1.00 0.00 N ATOM 442 CA LYS A 30 11.461 1.509 -0.089 1.00 0.00 C ATOM 443 C LYS A 30 12.094 1.903 -1.423 1.00 0.00 C ATOM 444 O LYS A 30 11.606 2.812 -2.093 1.00 0.00 O ATOM 445 CB LYS A 30 11.466 2.653 0.927 1.00 0.00 C ATOM 446 CG LYS A 30 12.879 3.003 1.396 1.00 0.00 C ATOM 447 CD LYS A 30 12.863 3.374 2.881 1.00 0.00 C ATOM 448 CE LYS A 30 11.992 4.604 3.139 1.00 0.00 C ATOM 449 NZ LYS A 30 11.937 4.933 4.578 1.00 0.00 N ATOM 0 H LYS A 30 12.625 0.565 1.365 1.00 0.00 H new ATOM 0 HA LYS A 30 10.427 1.257 -0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.004 3.534 0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.858 2.375 1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.545 2.156 1.232 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.270 3.835 0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.489 2.532 3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.880 3.569 3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.388 5.455 2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.984 4.422 2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.339 5.772 4.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.537 4.129 5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.897 5.130 4.926 1.00 0.00 H new ATOM 463 N SER A 31 13.171 1.220 -1.806 1.00 0.00 N ATOM 464 CA SER A 31 13.812 1.384 -3.106 1.00 0.00 C ATOM 465 C SER A 31 13.348 0.296 -4.080 1.00 0.00 C ATOM 466 O SER A 31 13.784 0.270 -5.229 1.00 0.00 O ATOM 467 CB SER A 31 15.331 1.363 -2.937 1.00 0.00 C ATOM 468 OG SER A 31 15.728 2.371 -2.028 1.00 0.00 O ATOM 0 H SER A 31 13.628 0.528 -1.213 1.00 0.00 H new ATOM 0 HA SER A 31 13.522 2.347 -3.527 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.652 0.387 -2.574 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.815 1.519 -3.901 1.00 0.00 H new ATOM 0 HG SER A 31 16.702 2.351 -1.923 1.00 0.00 H new ATOM 474 N ASP A 32 12.470 -0.604 -3.620 1.00 0.00 N ATOM 475 CA ASP A 32 11.945 -1.705 -4.410 1.00 0.00 C ATOM 476 C ASP A 32 10.435 -1.573 -4.582 1.00 0.00 C ATOM 477 O ASP A 32 9.887 -1.954 -5.615 1.00 0.00 O ATOM 478 CB ASP A 32 12.285 -3.006 -3.683 1.00 0.00 C ATOM 479 CG ASP A 32 13.782 -3.298 -3.731 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.263 -3.657 -4.829 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.430 -3.161 -2.668 1.00 0.00 O ATOM 0 H ASP A 32 12.103 -0.580 -2.669 1.00 0.00 H new ATOM 0 HA ASP A 32 12.391 -1.697 -5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.959 -2.940 -2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.737 -3.832 -4.137 1.00 0.00 H new ATOM 486 N VAL A 33 9.743 -1.028 -3.578 1.00 0.00 N ATOM 487 CA VAL A 33 8.302 -0.823 -3.662 1.00 0.00 C ATOM 488 C VAL A 33 7.990 0.158 -4.789 1.00 0.00 C ATOM 489 O VAL A 33 6.941 0.061 -5.425 1.00 0.00 O ATOM 490 CB VAL A 33 7.797 -0.303 -2.312 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.316 0.062 -2.375 1.00 0.00 C ATOM 492 CG2 VAL A 33 7.968 -1.378 -1.238 1.00 0.00 C ATOM 0 H VAL A 33 10.161 -0.722 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 33 7.795 -1.762 -3.885 1.00 0.00 H new ATOM 0 HB VAL A 33 8.381 0.585 -2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.990 0.427 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.164 0.840 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.735 -0.820 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.606 -0.998 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.397 -2.264 -1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.023 -1.639 -1.149 1.00 0.00 H new ATOM 502 N GLU A 34 8.894 1.105 -5.046 1.00 0.00 N ATOM 503 CA GLU A 34 8.723 2.073 -6.123 1.00 0.00 C ATOM 504 C GLU A 34 9.068 1.477 -7.489 1.00 0.00 C ATOM 505 O GLU A 34 9.098 2.198 -8.486 1.00 0.00 O ATOM 506 CB GLU A 34 9.529 3.343 -5.839 1.00 0.00 C ATOM 507 CG GLU A 34 11.036 3.077 -5.815 1.00 0.00 C ATOM 508 CD GLU A 34 11.842 4.360 -5.595 1.00 0.00 C ATOM 509 OE1 GLU A 34 11.269 5.457 -5.768 1.00 0.00 O ATOM 510 OE2 GLU A 34 13.039 4.229 -5.253 1.00 0.00 O ATOM 0 H GLU A 34 9.758 1.220 -4.516 1.00 0.00 H new ATOM 0 HA GLU A 34 7.668 2.345 -6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.306 4.091 -6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.220 3.761 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.266 2.364 -5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.338 2.616 -6.756 1.00 0.00 H new ATOM 517 N ALA A 35 9.326 0.165 -7.546 1.00 0.00 N ATOM 518 CA ALA A 35 9.609 -0.535 -8.788 1.00 0.00 C ATOM 519 C ALA A 35 8.690 -1.742 -8.969 1.00 0.00 C ATOM 520 O ALA A 35 8.692 -2.368 -10.030 1.00 0.00 O ATOM 521 CB ALA A 35 11.081 -0.951 -8.799 1.00 0.00 C ATOM 0 H ALA A 35 9.343 -0.437 -6.723 1.00 0.00 H new ATOM 0 HA ALA A 35 9.418 0.133 -9.627 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.303 -1.477 -9.727 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.710 -0.064 -8.725 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.280 -1.609 -7.953 1.00 0.00 H new ATOM 527 N ILE A 36 7.903 -2.074 -7.941 1.00 0.00 N ATOM 528 CA ILE A 36 6.964 -3.189 -7.992 1.00 0.00 C ATOM 529 C ILE A 36 5.523 -2.684 -8.019 1.00 0.00 C ATOM 530 O ILE A 36 4.649 -3.348 -8.573 1.00 0.00 O ATOM 531 CB ILE A 36 7.208 -4.096 -6.781 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.638 -4.649 -6.838 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.191 -5.241 -6.757 1.00 0.00 C ATOM 534 CD1 ILE A 36 9.065 -5.234 -5.491 1.00 0.00 C ATOM 0 H ILE A 36 7.902 -1.575 -7.052 1.00 0.00 H new ATOM 0 HA ILE A 36 7.123 -3.759 -8.907 1.00 0.00 H new ATOM 0 HB ILE A 36 7.085 -3.515 -5.867 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.701 -5.419 -7.607 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.326 -3.854 -7.125 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.378 -5.876 -5.891 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.183 -4.831 -6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.287 -5.832 -7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.083 -5.617 -5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.025 -4.457 -4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.391 -6.046 -5.217 1.00 0.00 H new ATOM 546 N PHE A 37 5.266 -1.514 -7.428 1.00 0.00 N ATOM 547 CA PHE A 37 3.933 -0.932 -7.395 1.00 0.00 C ATOM 548 C PHE A 37 3.802 0.184 -8.429 1.00 0.00 C ATOM 549 O PHE A 37 2.704 0.679 -8.670 1.00 0.00 O ATOM 550 CB PHE A 37 3.644 -0.441 -5.975 1.00 0.00 C ATOM 551 CG PHE A 37 3.422 -1.564 -4.984 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.512 -2.261 -4.447 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.115 -1.909 -4.604 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.303 -3.305 -3.538 1.00 0.00 C ATOM 555 CE2 PHE A 37 1.902 -2.954 -3.694 1.00 0.00 C ATOM 556 CZ PHE A 37 2.995 -3.652 -3.158 1.00 0.00 C ATOM 0 H PHE A 37 5.977 -0.950 -6.962 1.00 0.00 H new ATOM 0 HA PHE A 37 3.191 -1.686 -7.659 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.477 0.174 -5.635 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.761 0.198 -5.992 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.517 -1.992 -4.735 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.274 -1.369 -5.013 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.146 -3.843 -3.129 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.896 -3.222 -3.405 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.831 -4.455 -2.454 1.00 0.00 H new ATOM 566 N SER A 38 4.916 0.587 -9.049 1.00 0.00 N ATOM 567 CA SER A 38 4.921 1.661 -10.036 1.00 0.00 C ATOM 568 C SER A 38 4.275 1.223 -11.348 1.00 0.00 C ATOM 569 O SER A 38 3.948 2.058 -12.192 1.00 0.00 O ATOM 570 CB SER A 38 6.358 2.098 -10.287 1.00 0.00 C ATOM 571 OG SER A 38 7.128 0.993 -10.708 1.00 0.00 O ATOM 0 H SER A 38 5.834 0.177 -8.879 1.00 0.00 H new ATOM 0 HA SER A 38 4.337 2.493 -9.643 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.382 2.880 -11.046 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.782 2.523 -9.377 1.00 0.00 H new ATOM 0 HG SER A 38 8.051 1.280 -10.870 1.00 0.00 H new ATOM 577 N LYS A 39 4.090 -0.090 -11.519 1.00 0.00 N ATOM 578 CA LYS A 39 3.467 -0.659 -12.704 1.00 0.00 C ATOM 579 C LYS A 39 1.943 -0.627 -12.627 1.00 0.00 C ATOM 580 O LYS A 39 1.277 -0.900 -13.625 1.00 0.00 O ATOM 581 CB LYS A 39 3.998 -2.081 -12.892 1.00 0.00 C ATOM 582 CG LYS A 39 3.540 -2.970 -11.734 1.00 0.00 C ATOM 583 CD LYS A 39 4.423 -4.211 -11.635 1.00 0.00 C ATOM 584 CE LYS A 39 4.346 -5.076 -12.893 1.00 0.00 C ATOM 585 NZ LYS A 39 2.996 -5.642 -13.076 1.00 0.00 N ATOM 0 H LYS A 39 4.373 -0.787 -10.830 1.00 0.00 H new ATOM 0 HA LYS A 39 3.728 -0.054 -13.572 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.641 -2.489 -13.837 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.087 -2.067 -12.942 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.582 -2.411 -10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.501 -3.266 -11.883 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.456 -3.907 -11.468 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.121 -4.802 -10.771 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.612 -4.478 -13.764 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.075 -5.884 -12.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.073 -6.619 -13.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.492 -5.638 -12.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.470 -5.069 -13.766 1.00 0.00 H new ATOM 599 N TYR A 40 1.388 -0.296 -11.454 1.00 0.00 N ATOM 600 CA TYR A 40 -0.057 -0.188 -11.271 1.00 0.00 C ATOM 601 C TYR A 40 -0.495 1.270 -11.158 1.00 0.00 C ATOM 602 O TYR A 40 -1.683 1.569 -11.275 1.00 0.00 O ATOM 603 CB TYR A 40 -0.481 -0.989 -10.045 1.00 0.00 C ATOM 604 CG TYR A 40 -0.085 -2.442 -10.150 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.841 -3.320 -10.941 1.00 0.00 C ATOM 606 CD2 TYR A 40 1.044 -2.906 -9.466 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.450 -4.661 -11.073 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.446 -4.241 -9.598 1.00 0.00 C ATOM 609 CZ TYR A 40 0.705 -5.120 -10.409 1.00 0.00 C ATOM 610 OH TYR A 40 1.107 -6.414 -10.563 1.00 0.00 O ATOM 0 H TYR A 40 1.928 -0.097 -10.612 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.552 -0.603 -12.149 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.028 -0.554 -9.154 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.562 -0.916 -9.921 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.725 -2.963 -11.449 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.606 -2.234 -8.835 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.032 -5.338 -11.681 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.324 -4.595 -9.078 1.00 0.00 H new ATOM 0 HH TYR A 40 0.619 -6.985 -9.934 1.00 0.00 H new ATOM 620 N GLY A 41 0.457 2.175 -10.932 1.00 0.00 N ATOM 621 CA GLY A 41 0.170 3.597 -10.923 1.00 0.00 C ATOM 622 C GLY A 41 1.432 4.428 -10.725 1.00 0.00 C ATOM 623 O GLY A 41 2.455 3.916 -10.274 1.00 0.00 O ATOM 0 H GLY A 41 1.434 1.941 -10.753 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.306 3.878 -11.862 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.540 3.819 -10.127 1.00 0.00 H new ATOM 627 N LYS A 42 1.355 5.717 -11.063 1.00 0.00 N ATOM 628 CA LYS A 42 2.463 6.639 -10.884 1.00 0.00 C ATOM 629 C LYS A 42 2.608 6.954 -9.400 1.00 0.00 C ATOM 630 O LYS A 42 1.734 7.582 -8.809 1.00 0.00 O ATOM 631 CB LYS A 42 2.183 7.894 -11.712 1.00 0.00 C ATOM 632 CG LYS A 42 3.178 9.012 -11.397 1.00 0.00 C ATOM 633 CD LYS A 42 2.910 10.197 -12.324 1.00 0.00 C ATOM 634 CE LYS A 42 3.708 11.400 -11.829 1.00 0.00 C ATOM 635 NZ LYS A 42 3.525 12.567 -12.713 1.00 0.00 N ATOM 0 H LYS A 42 0.522 6.144 -11.467 1.00 0.00 H new ATOM 0 HA LYS A 42 3.403 6.205 -11.226 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.234 7.649 -12.773 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.169 8.242 -11.514 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.080 9.320 -10.356 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.199 8.655 -11.529 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.197 9.949 -13.346 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.845 10.431 -12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.394 11.655 -10.817 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.766 11.142 -11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.080 13.368 -12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.847 12.329 -13.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.518 12.827 -12.740 1.00 0.00 H new ATOM 649 N ILE A 43 3.716 6.511 -8.803 1.00 0.00 N ATOM 650 CA ILE A 43 3.973 6.697 -7.387 1.00 0.00 C ATOM 651 C ILE A 43 4.558 8.084 -7.151 1.00 0.00 C ATOM 652 O ILE A 43 5.498 8.491 -7.835 1.00 0.00 O ATOM 653 CB ILE A 43 4.888 5.577 -6.871 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.147 4.244 -7.014 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.256 5.801 -5.404 1.00 0.00 C ATOM 656 CD1 ILE A 43 4.996 3.052 -6.569 1.00 0.00 C ATOM 0 H ILE A 43 4.458 6.013 -9.295 1.00 0.00 H new ATOM 0 HA ILE A 43 3.041 6.636 -6.824 1.00 0.00 H new ATOM 0 HB ILE A 43 5.809 5.571 -7.453 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.232 4.275 -6.423 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.850 4.107 -8.054 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.904 4.993 -5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.777 6.753 -5.301 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.349 5.817 -4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.424 2.132 -6.691 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.899 3.001 -7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.271 3.172 -5.521 1.00 0.00 H new ATOM 668 N VAL A 44 3.993 8.808 -6.179 1.00 0.00 N ATOM 669 CA VAL A 44 4.456 10.140 -5.805 1.00 0.00 C ATOM 670 C VAL A 44 5.138 10.108 -4.439 1.00 0.00 C ATOM 671 O VAL A 44 5.741 11.093 -4.020 1.00 0.00 O ATOM 672 CB VAL A 44 3.286 11.132 -5.827 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.683 11.201 -7.229 1.00 0.00 C ATOM 674 CG2 VAL A 44 2.199 10.726 -4.830 1.00 0.00 C ATOM 0 H VAL A 44 3.198 8.481 -5.630 1.00 0.00 H new ATOM 0 HA VAL A 44 5.195 10.475 -6.533 1.00 0.00 H new ATOM 0 HB VAL A 44 3.673 12.111 -5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.853 11.908 -7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.444 11.530 -7.937 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.321 10.214 -7.518 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.383 11.447 -4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.821 9.736 -5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.618 10.704 -3.824 1.00 0.00 H new ATOM 684 N GLY A 45 5.043 8.972 -3.743 1.00 0.00 N ATOM 685 CA GLY A 45 5.679 8.772 -2.454 1.00 0.00 C ATOM 686 C GLY A 45 5.604 7.300 -2.064 1.00 0.00 C ATOM 687 O GLY A 45 4.639 6.617 -2.400 1.00 0.00 O ATOM 0 H GLY A 45 4.515 8.162 -4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.720 9.093 -2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.188 9.384 -1.697 1.00 0.00 H new ATOM 691 N CYS A 46 6.619 6.809 -1.355 1.00 0.00 N ATOM 692 CA CYS A 46 6.653 5.428 -0.910 1.00 0.00 C ATOM 693 C CYS A 46 7.482 5.316 0.367 1.00 0.00 C ATOM 694 O CYS A 46 8.381 6.123 0.606 1.00 0.00 O ATOM 695 CB CYS A 46 7.241 4.552 -2.019 1.00 0.00 C ATOM 696 SG CYS A 46 8.989 4.960 -2.275 1.00 0.00 S ATOM 0 H CYS A 46 7.433 7.358 -1.077 1.00 0.00 H new ATOM 0 HA CYS A 46 5.641 5.086 -0.692 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.140 3.500 -1.754 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.685 4.702 -2.945 1.00 0.00 H new ATOM 0 HG CYS A 46 9.711 3.889 -2.124 1.00 0.00 H new ATOM 702 N SER A 47 7.185 4.314 1.193 1.00 0.00 N ATOM 703 CA SER A 47 7.948 4.073 2.403 1.00 0.00 C ATOM 704 C SER A 47 7.796 2.624 2.837 1.00 0.00 C ATOM 705 O SER A 47 6.778 1.992 2.566 1.00 0.00 O ATOM 706 CB SER A 47 7.488 5.021 3.508 1.00 0.00 C ATOM 707 OG SER A 47 8.362 4.899 4.612 1.00 0.00 O ATOM 0 H SER A 47 6.419 3.658 1.040 1.00 0.00 H new ATOM 0 HA SER A 47 9.003 4.262 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.482 6.049 3.144 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.467 4.783 3.808 1.00 0.00 H new ATOM 0 HG SER A 47 8.074 5.506 5.326 1.00 0.00 H new ATOM 713 N VAL A 48 8.817 2.099 3.520 1.00 0.00 N ATOM 714 CA VAL A 48 8.804 0.751 4.062 1.00 0.00 C ATOM 715 C VAL A 48 9.165 0.804 5.538 1.00 0.00 C ATOM 716 O VAL A 48 9.957 1.642 5.968 1.00 0.00 O ATOM 717 CB VAL A 48 9.753 -0.164 3.287 1.00 0.00 C ATOM 718 CG1 VAL A 48 9.824 -1.566 3.897 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.246 -0.299 1.852 1.00 0.00 C ATOM 0 H VAL A 48 9.680 2.608 3.710 1.00 0.00 H new ATOM 0 HA VAL A 48 7.804 0.331 3.957 1.00 0.00 H new ATOM 0 HB VAL A 48 10.747 0.281 3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.509 -2.182 3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.181 -1.498 4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.832 -2.018 3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.915 -0.950 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.244 -0.728 1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.217 0.684 1.383 1.00 0.00 H new ATOM 729 N HIS A 49 8.565 -0.106 6.301 1.00 0.00 N ATOM 730 CA HIS A 49 8.710 -0.193 7.742 1.00 0.00 C ATOM 731 C HIS A 49 8.966 -1.655 8.095 1.00 0.00 C ATOM 732 O HIS A 49 9.317 -2.442 7.218 1.00 0.00 O ATOM 733 CB HIS A 49 7.417 0.324 8.378 1.00 0.00 C ATOM 734 CG HIS A 49 7.042 1.708 7.907 1.00 0.00 C ATOM 735 ND1 HIS A 49 6.425 2.002 6.723 1.00 0.00 N flip ATOM 736 CD2 HIS A 49 7.263 2.890 8.613 1.00 0.00 C flip ATOM 737 CE1 HIS A 49 6.263 3.367 6.698 1.00 0.00 C flip ATOM 738 NE2 HIS A 49 6.774 3.868 7.836 1.00 0.00 N flip ATOM 0 H HIS A 49 7.948 -0.822 5.918 1.00 0.00 H new ATOM 0 HA HIS A 49 9.541 0.407 8.113 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.604 -0.365 8.148 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.530 0.333 9.462 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.730 2.996 9.581 1.00 0.00 H new ATOM 0 HE1 HIS A 49 5.805 3.937 5.903 1.00 0.00 H new ATOM 0 HE2 HIS A 49 6.788 4.859 8.076 1.00 0.00 H new ATOM 746 N LYS A 50 8.797 -2.039 9.361 1.00 0.00 N ATOM 747 CA LYS A 50 8.923 -3.438 9.736 1.00 0.00 C ATOM 748 C LYS A 50 7.561 -4.116 9.661 1.00 0.00 C ATOM 749 O LYS A 50 6.621 -3.707 10.335 1.00 0.00 O ATOM 750 CB LYS A 50 9.552 -3.578 11.118 1.00 0.00 C ATOM 751 CG LYS A 50 11.018 -3.158 11.035 1.00 0.00 C ATOM 752 CD LYS A 50 11.711 -3.329 12.384 1.00 0.00 C ATOM 753 CE LYS A 50 11.744 -4.798 12.810 1.00 0.00 C ATOM 754 NZ LYS A 50 12.449 -4.961 14.096 1.00 0.00 N ATOM 0 H LYS A 50 8.576 -1.407 10.131 1.00 0.00 H new ATOM 0 HA LYS A 50 9.590 -3.937 9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.021 -2.956 11.839 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.473 -4.608 11.466 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.529 -3.756 10.281 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.085 -2.118 10.717 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.728 -2.943 12.324 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.191 -2.741 13.140 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.726 -5.177 12.899 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.240 -5.392 12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.457 -5.966 14.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.427 -4.620 14.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.960 -4.412 14.832 1.00 0.00 H new ATOM 768 N GLY A 51 7.473 -5.155 8.834 1.00 0.00 N ATOM 769 CA GLY A 51 6.259 -5.939 8.651 1.00 0.00 C ATOM 770 C GLY A 51 5.230 -5.269 7.737 1.00 0.00 C ATOM 771 O GLY A 51 4.244 -5.911 7.370 1.00 0.00 O ATOM 0 H GLY A 51 8.255 -5.479 8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.523 -6.911 8.235 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.804 -6.121 9.624 1.00 0.00 H new ATOM 775 N PHE A 52 5.427 -4.001 7.358 1.00 0.00 N ATOM 776 CA PHE A 52 4.506 -3.315 6.461 1.00 0.00 C ATOM 777 C PHE A 52 5.209 -2.235 5.641 1.00 0.00 C ATOM 778 O PHE A 52 6.365 -1.895 5.892 1.00 0.00 O ATOM 779 CB PHE A 52 3.353 -2.685 7.249 1.00 0.00 C ATOM 780 CG PHE A 52 3.775 -1.610 8.228 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.204 -1.959 9.517 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.730 -0.263 7.841 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.599 -0.960 10.414 1.00 0.00 C ATOM 784 CE2 PHE A 52 4.122 0.732 8.743 1.00 0.00 C ATOM 785 CZ PHE A 52 4.560 0.385 10.029 1.00 0.00 C ATOM 0 H PHE A 52 6.218 -3.434 7.662 1.00 0.00 H new ATOM 0 HA PHE A 52 4.113 -4.065 5.774 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.639 -2.257 6.545 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.831 -3.471 7.795 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.229 -2.996 9.817 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.394 0.005 6.850 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.935 -1.227 11.405 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.087 1.770 8.448 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.867 1.155 10.722 1.00 0.00 H new ATOM 795 N ALA A 53 4.491 -1.696 4.653 1.00 0.00 N ATOM 796 CA ALA A 53 4.951 -0.611 3.805 1.00 0.00 C ATOM 797 C ALA A 53 3.763 0.240 3.344 1.00 0.00 C ATOM 798 O ALA A 53 2.611 -0.120 3.573 1.00 0.00 O ATOM 799 CB ALA A 53 5.696 -1.191 2.606 1.00 0.00 C ATOM 0 H ALA A 53 3.551 -2.015 4.420 1.00 0.00 H new ATOM 0 HA ALA A 53 5.628 0.031 4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.043 -0.380 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.551 -1.770 2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.026 -1.838 2.040 1.00 0.00 H new ATOM 805 N PHE A 54 4.060 1.367 2.694 1.00 0.00 N ATOM 806 CA PHE A 54 3.057 2.292 2.191 1.00 0.00 C ATOM 807 C PHE A 54 3.452 2.830 0.820 1.00 0.00 C ATOM 808 O PHE A 54 4.636 2.971 0.510 1.00 0.00 O ATOM 809 CB PHE A 54 2.877 3.445 3.180 1.00 0.00 C ATOM 810 CG PHE A 54 1.873 3.149 4.268 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.503 3.208 3.969 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.295 2.823 5.565 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.445 2.941 4.964 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.347 2.547 6.558 1.00 0.00 C ATOM 815 CZ PHE A 54 -0.022 2.611 6.256 1.00 0.00 C ATOM 0 H PHE A 54 5.018 1.662 2.503 1.00 0.00 H new ATOM 0 HA PHE A 54 2.113 1.758 2.085 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.839 3.676 3.637 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.561 4.335 2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.180 3.460 2.970 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.349 2.785 5.798 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.499 2.990 4.735 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.669 2.285 7.555 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.752 2.405 7.024 1.00 0.00 H new ATOM 825 N VAL A 55 2.442 3.131 0.000 1.00 0.00 N ATOM 826 CA VAL A 55 2.618 3.705 -1.329 1.00 0.00 C ATOM 827 C VAL A 55 1.595 4.809 -1.528 1.00 0.00 C ATOM 828 O VAL A 55 0.479 4.721 -1.019 1.00 0.00 O ATOM 829 CB VAL A 55 2.462 2.625 -2.405 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.570 3.227 -3.804 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.568 1.588 -2.255 1.00 0.00 C ATOM 0 H VAL A 55 1.464 2.979 0.248 1.00 0.00 H new ATOM 0 HA VAL A 55 3.622 4.121 -1.416 1.00 0.00 H new ATOM 0 HB VAL A 55 1.481 2.168 -2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.456 2.439 -4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.786 3.972 -3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.545 3.700 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.454 0.821 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.538 2.072 -2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.504 1.128 -1.269 1.00 0.00 H new ATOM 841 N GLN A 56 1.977 5.848 -2.271 1.00 0.00 N ATOM 842 CA GLN A 56 1.119 6.983 -2.551 1.00 0.00 C ATOM 843 C GLN A 56 1.052 7.200 -4.060 1.00 0.00 C ATOM 844 O GLN A 56 2.082 7.191 -4.731 1.00 0.00 O ATOM 845 CB GLN A 56 1.705 8.202 -1.828 1.00 0.00 C ATOM 846 CG GLN A 56 0.819 9.441 -1.950 1.00 0.00 C ATOM 847 CD GLN A 56 -0.448 9.312 -1.121 1.00 0.00 C ATOM 848 OE1 GLN A 56 -0.398 9.095 0.086 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.600 9.448 -1.767 1.00 0.00 N ATOM 0 H GLN A 56 2.901 5.919 -2.696 1.00 0.00 H new ATOM 0 HA GLN A 56 0.102 6.814 -2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.844 7.962 -0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.691 8.423 -2.237 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.377 10.320 -1.627 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.555 9.598 -2.996 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.604 9.628 -2.771 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.481 9.373 -1.259 1.00 0.00 H new ATOM 858 N TYR A 57 -0.157 7.392 -4.586 1.00 0.00 N ATOM 859 CA TYR A 57 -0.394 7.593 -6.006 1.00 0.00 C ATOM 860 C TYR A 57 -0.951 8.986 -6.271 1.00 0.00 C ATOM 861 O TYR A 57 -1.227 9.744 -5.339 1.00 0.00 O ATOM 862 CB TYR A 57 -1.373 6.533 -6.516 1.00 0.00 C ATOM 863 CG TYR A 57 -0.830 5.125 -6.501 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.310 4.826 -7.262 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.456 4.122 -5.743 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.839 3.531 -7.257 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.918 2.830 -5.727 1.00 0.00 C ATOM 868 CZ TYR A 57 0.235 2.531 -6.475 1.00 0.00 C ATOM 869 OH TYR A 57 0.767 1.281 -6.441 1.00 0.00 O ATOM 0 H TYR A 57 -1.009 7.412 -4.025 1.00 0.00 H new ATOM 0 HA TYR A 57 0.554 7.499 -6.535 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.277 6.568 -5.907 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.665 6.786 -7.535 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.780 5.598 -7.853 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.347 4.346 -5.176 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.710 3.300 -7.853 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.391 2.059 -5.137 1.00 0.00 H new ATOM 0 HH TYR A 57 1.378 1.165 -7.198 1.00 0.00 H new ATOM 879 N VAL A 58 -1.119 9.318 -7.553 1.00 0.00 N ATOM 880 CA VAL A 58 -1.652 10.604 -7.971 1.00 0.00 C ATOM 881 C VAL A 58 -3.141 10.691 -7.646 1.00 0.00 C ATOM 882 O VAL A 58 -3.648 11.782 -7.392 1.00 0.00 O ATOM 883 CB VAL A 58 -1.399 10.790 -9.474 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.063 12.063 -10.002 1.00 0.00 C ATOM 885 CG2 VAL A 58 0.101 10.882 -9.743 1.00 0.00 C ATOM 0 H VAL A 58 -0.887 8.697 -8.328 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.149 11.405 -7.429 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.828 9.928 -9.985 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.863 12.162 -11.069 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.139 12.007 -9.838 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.661 12.928 -9.475 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.272 11.014 -10.811 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.516 11.732 -9.202 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.588 9.966 -9.408 1.00 0.00 H new ATOM 895 N ASN A 59 -3.850 9.554 -7.650 1.00 0.00 N ATOM 896 CA ASN A 59 -5.260 9.526 -7.295 1.00 0.00 C ATOM 897 C ASN A 59 -5.706 8.135 -6.841 1.00 0.00 C ATOM 898 O ASN A 59 -4.979 7.156 -7.004 1.00 0.00 O ATOM 899 CB ASN A 59 -6.107 10.026 -8.468 1.00 0.00 C ATOM 900 CG ASN A 59 -6.508 8.934 -9.441 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.693 8.661 -9.592 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.543 8.307 -10.099 1.00 0.00 N ATOM 0 H ASN A 59 -3.462 8.644 -7.897 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.408 10.195 -6.447 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.007 10.501 -8.078 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.550 10.793 -9.006 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.775 7.566 -10.761 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.569 8.565 -9.944 1.00 0.00 H new ATOM 909 N GLU A 60 -6.912 8.054 -6.270 1.00 0.00 N ATOM 910 CA GLU A 60 -7.479 6.815 -5.759 1.00 0.00 C ATOM 911 C GLU A 60 -7.563 5.724 -6.827 1.00 0.00 C ATOM 912 O GLU A 60 -7.439 4.549 -6.497 1.00 0.00 O ATOM 913 CB GLU A 60 -8.863 7.135 -5.194 1.00 0.00 C ATOM 914 CG GLU A 60 -9.543 5.888 -4.616 1.00 0.00 C ATOM 915 CD GLU A 60 -10.926 6.197 -4.053 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.150 7.350 -3.619 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.763 5.265 -4.060 1.00 0.00 O ATOM 0 H GLU A 60 -7.525 8.861 -6.151 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.826 6.418 -4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.772 7.893 -4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.488 7.559 -5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.630 5.130 -5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.918 5.467 -3.829 1.00 0.00 H new ATOM 924 N ARG A 61 -7.765 6.079 -8.102 1.00 0.00 N ATOM 925 CA ARG A 61 -7.863 5.070 -9.156 1.00 0.00 C ATOM 926 C ARG A 61 -6.589 4.234 -9.199 1.00 0.00 C ATOM 927 O ARG A 61 -6.639 3.020 -9.384 1.00 0.00 O ATOM 928 CB ARG A 61 -8.101 5.771 -10.496 1.00 0.00 C ATOM 929 CG ARG A 61 -7.941 4.848 -11.705 1.00 0.00 C ATOM 930 CD ARG A 61 -8.810 3.600 -11.575 1.00 0.00 C ATOM 931 NE ARG A 61 -8.779 2.808 -12.810 1.00 0.00 N ATOM 932 CZ ARG A 61 -9.374 1.618 -12.947 1.00 0.00 C ATOM 933 NH1 ARG A 61 -10.050 1.071 -11.941 1.00 0.00 N ATOM 934 NH2 ARG A 61 -9.294 0.964 -14.104 1.00 0.00 N ATOM 0 H ARG A 61 -7.862 7.042 -8.422 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.698 4.400 -8.952 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.106 6.194 -10.502 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.404 6.604 -10.590 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.210 5.387 -12.614 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.896 4.556 -11.805 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.459 2.993 -10.740 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.837 3.889 -11.349 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.274 3.187 -13.611 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.121 1.560 -11.049 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.498 0.163 -12.062 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.779 1.371 -14.885 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.747 0.056 -14.209 1.00 0.00 H new ATOM 948 N ASN A 62 -5.435 4.879 -9.027 1.00 0.00 N ATOM 949 CA ASN A 62 -4.174 4.164 -9.067 1.00 0.00 C ATOM 950 C ASN A 62 -4.009 3.288 -7.825 1.00 0.00 C ATOM 951 O ASN A 62 -3.289 2.292 -7.864 1.00 0.00 O ATOM 952 CB ASN A 62 -3.050 5.184 -9.187 1.00 0.00 C ATOM 953 CG ASN A 62 -2.967 5.749 -10.595 1.00 0.00 C ATOM 954 OD1 ASN A 62 -3.041 6.957 -10.791 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.813 4.873 -11.583 1.00 0.00 N ATOM 0 H ASN A 62 -5.354 5.882 -8.861 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.148 3.496 -9.928 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.214 5.994 -8.477 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.101 4.716 -8.924 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.752 5.198 -12.548 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.756 3.876 -11.376 1.00 0.00 H new ATOM 962 N ALA A 63 -4.672 3.646 -6.723 1.00 0.00 N ATOM 963 CA ALA A 63 -4.622 2.857 -5.503 1.00 0.00 C ATOM 964 C ALA A 63 -5.499 1.615 -5.637 1.00 0.00 C ATOM 965 O ALA A 63 -5.145 0.552 -5.133 1.00 0.00 O ATOM 966 CB ALA A 63 -5.063 3.724 -4.322 1.00 0.00 C ATOM 0 H ALA A 63 -5.251 4.483 -6.657 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.600 2.520 -5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.027 3.136 -3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.395 4.581 -4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.082 4.074 -4.488 1.00 0.00 H new ATOM 972 N ARG A 64 -6.644 1.739 -6.317 1.00 0.00 N ATOM 973 CA ARG A 64 -7.540 0.606 -6.541 1.00 0.00 C ATOM 974 C ARG A 64 -6.891 -0.405 -7.479 1.00 0.00 C ATOM 975 O ARG A 64 -7.213 -1.589 -7.420 1.00 0.00 O ATOM 976 CB ARG A 64 -8.855 1.095 -7.161 1.00 0.00 C ATOM 977 CG ARG A 64 -9.628 2.070 -6.269 1.00 0.00 C ATOM 978 CD ARG A 64 -10.123 1.418 -4.980 1.00 0.00 C ATOM 979 NE ARG A 64 -10.913 2.379 -4.206 1.00 0.00 N ATOM 980 CZ ARG A 64 -11.478 2.124 -3.023 1.00 0.00 C ATOM 981 NH1 ARG A 64 -11.358 0.934 -2.443 1.00 0.00 N ATOM 982 NH2 ARG A 64 -12.173 3.081 -2.420 1.00 0.00 N ATOM 0 H ARG A 64 -6.970 2.617 -6.722 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.741 0.129 -5.582 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.640 1.580 -8.113 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.487 0.234 -7.377 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.987 2.916 -6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.480 2.466 -6.822 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.728 0.542 -5.214 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.275 1.071 -4.389 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.041 3.311 -4.600 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.826 0.194 -2.902 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.798 0.761 -1.539 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.270 3.996 -2.861 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.610 2.901 -1.516 1.00 0.00 H new ATOM 996 N ALA A 65 -5.979 0.054 -8.340 1.00 0.00 N ATOM 997 CA ALA A 65 -5.323 -0.816 -9.300 1.00 0.00 C ATOM 998 C ALA A 65 -4.185 -1.593 -8.639 1.00 0.00 C ATOM 999 O ALA A 65 -3.922 -2.734 -9.012 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.825 0.033 -10.465 1.00 0.00 C ATOM 0 H ALA A 65 -5.682 1.029 -8.386 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.030 -1.555 -9.676 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.329 -0.606 -11.195 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.670 0.535 -10.936 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.119 0.778 -10.097 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.509 -0.990 -7.659 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.435 -1.667 -6.953 1.00 0.00 C ATOM 1008 C ALA A 66 -2.984 -2.602 -5.876 1.00 0.00 C ATOM 1009 O ALA A 66 -2.422 -3.669 -5.641 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.523 -0.610 -6.352 1.00 0.00 C ATOM 0 H ALA A 66 -3.690 -0.038 -7.342 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.871 -2.289 -7.648 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.707 -1.095 -5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.114 0.013 -7.148 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.092 0.012 -5.661 1.00 0.00 H new ATOM 1016 N VAL A 67 -4.079 -2.213 -5.217 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.741 -3.067 -4.236 1.00 0.00 C ATOM 1018 C VAL A 67 -5.284 -4.316 -4.919 1.00 0.00 C ATOM 1019 O VAL A 67 -5.306 -5.386 -4.320 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.868 -2.278 -3.565 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.787 -3.197 -2.756 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.275 -1.237 -2.619 1.00 0.00 C ATOM 0 H VAL A 67 -4.526 -1.305 -5.349 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.027 -3.381 -3.474 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.449 -1.797 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.576 -2.605 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.232 -3.941 -3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.208 -3.700 -1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.080 -0.677 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.680 -1.737 -1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.641 -0.552 -3.183 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.725 -4.199 -6.174 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.221 -5.344 -6.916 1.00 0.00 C ATOM 1034 C ALA A 68 -5.116 -6.030 -7.724 1.00 0.00 C ATOM 1035 O ALA A 68 -5.338 -7.117 -8.260 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.368 -4.888 -7.820 1.00 0.00 C ATOM 0 H ALA A 68 -5.746 -3.320 -6.691 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.586 -6.088 -6.208 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.749 -5.740 -8.383 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.168 -4.470 -7.209 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.005 -4.129 -8.513 1.00 0.00 H new ATOM 1042 N GLY A 69 -3.937 -5.411 -7.819 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.835 -5.941 -8.611 1.00 0.00 C ATOM 1044 C GLY A 69 -1.746 -6.619 -7.776 1.00 0.00 C ATOM 1045 O GLY A 69 -0.913 -7.324 -8.341 1.00 0.00 O ATOM 0 H GLY A 69 -3.724 -4.531 -7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.229 -6.659 -9.330 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.388 -5.129 -9.184 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.731 -6.421 -6.455 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.659 -6.922 -5.597 1.00 0.00 C ATOM 1051 C GLU A 70 -1.181 -7.618 -4.343 1.00 0.00 C ATOM 1052 O GLU A 70 -0.449 -8.387 -3.728 1.00 0.00 O ATOM 1053 CB GLU A 70 0.242 -5.749 -5.196 1.00 0.00 C ATOM 1054 CG GLU A 70 1.143 -5.303 -6.347 1.00 0.00 C ATOM 1055 CD GLU A 70 2.298 -6.287 -6.536 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.219 -6.254 -5.691 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.263 -7.066 -7.512 1.00 0.00 O ATOM 0 H GLU A 70 -2.459 -5.911 -5.954 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.102 -7.667 -6.164 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.375 -4.911 -4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.858 -6.039 -4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.561 -5.235 -7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.536 -4.307 -6.144 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.428 -7.378 -3.935 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.961 -8.042 -2.755 1.00 0.00 C ATOM 1066 C ASP A 71 -2.995 -9.552 -2.975 1.00 0.00 C ATOM 1067 O ASP A 71 -3.697 -10.041 -3.862 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.362 -7.507 -2.461 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.983 -8.189 -1.244 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -4.246 -8.377 -0.253 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -6.189 -8.517 -1.315 1.00 0.00 O ATOM 0 H ASP A 71 -3.075 -6.739 -4.398 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.318 -7.837 -1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.312 -6.432 -2.290 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.001 -7.662 -3.331 1.00 0.00 H new ATOM 1076 N GLY A 72 -2.233 -10.298 -2.166 1.00 0.00 N ATOM 1077 CA GLY A 72 -2.189 -11.748 -2.272 1.00 0.00 C ATOM 1078 C GLY A 72 -1.134 -12.192 -3.273 1.00 0.00 C ATOM 1079 O GLY A 72 -1.082 -13.368 -3.631 1.00 0.00 O ATOM 0 H GLY A 72 -1.640 -9.913 -1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.973 -12.181 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.166 -12.123 -2.578 1.00 0.00 H new ATOM 1083 N ARG A 73 -0.292 -11.259 -3.726 1.00 0.00 N ATOM 1084 CA ARG A 73 0.862 -11.592 -4.543 1.00 0.00 C ATOM 1085 C ARG A 73 1.909 -12.168 -3.600 1.00 0.00 C ATOM 1086 O ARG A 73 1.759 -12.074 -2.384 1.00 0.00 O ATOM 1087 CB ARG A 73 1.348 -10.360 -5.303 1.00 0.00 C ATOM 1088 CG ARG A 73 2.135 -9.410 -4.399 1.00 0.00 C ATOM 1089 CD ARG A 73 3.630 -9.523 -4.686 1.00 0.00 C ATOM 1090 NE ARG A 73 3.933 -8.986 -6.015 1.00 0.00 N ATOM 1091 CZ ARG A 73 4.823 -9.470 -6.885 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.562 -10.540 -6.604 1.00 0.00 N ATOM 1093 NH2 ARG A 73 4.977 -8.865 -8.058 1.00 0.00 N ATOM 0 H ARG A 73 -0.395 -10.262 -3.535 1.00 0.00 H new ATOM 0 HA ARG A 73 0.625 -12.329 -5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.976 -10.672 -6.137 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.493 -9.834 -5.727 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.803 -8.384 -4.561 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.940 -9.647 -3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.195 -8.979 -3.929 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.941 -10.566 -4.628 1.00 0.00 H new ATOM 0 HE ARG A 73 3.411 -8.159 -6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.456 -11.011 -5.706 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.235 -10.889 -7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.419 -8.042 -8.284 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.653 -9.224 -8.732 1.00 0.00 H new ATOM 1107 N MET A 74 2.967 -12.759 -4.139 1.00 0.00 N ATOM 1108 CA MET A 74 3.973 -13.394 -3.309 1.00 0.00 C ATOM 1109 C MET A 74 5.278 -12.628 -3.433 1.00 0.00 C ATOM 1110 O MET A 74 5.811 -12.469 -4.530 1.00 0.00 O ATOM 1111 CB MET A 74 4.097 -14.861 -3.708 1.00 0.00 C ATOM 1112 CG MET A 74 4.978 -15.606 -2.708 1.00 0.00 C ATOM 1113 SD MET A 74 4.707 -17.394 -2.708 1.00 0.00 S ATOM 1114 CE MET A 74 3.065 -17.421 -1.942 1.00 0.00 C ATOM 0 H MET A 74 3.147 -12.810 -5.142 1.00 0.00 H new ATOM 0 HA MET A 74 3.689 -13.372 -2.257 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.109 -15.320 -3.746 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.523 -14.939 -4.708 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.025 -15.404 -2.936 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.789 -15.217 -1.708 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.721 -18.452 -1.854 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.118 -16.971 -0.951 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.366 -16.857 -2.560 1.00 0.00 H new ATOM 1124 N ILE A 75 5.785 -12.157 -2.295 1.00 0.00 N ATOM 1125 CA ILE A 75 7.031 -11.412 -2.252 1.00 0.00 C ATOM 1126 C ILE A 75 7.939 -11.999 -1.178 1.00 0.00 C ATOM 1127 O ILE A 75 7.486 -12.305 -0.079 1.00 0.00 O ATOM 1128 CB ILE A 75 6.721 -9.920 -2.059 1.00 0.00 C ATOM 1129 CG1 ILE A 75 6.987 -9.223 -3.397 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.533 -9.306 -0.919 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.657 -7.730 -3.372 1.00 0.00 C ATOM 0 H ILE A 75 5.343 -12.283 -1.385 1.00 0.00 H new ATOM 0 HA ILE A 75 7.576 -11.498 -3.192 1.00 0.00 H new ATOM 0 HB ILE A 75 5.679 -9.788 -1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.035 -9.353 -3.665 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.397 -9.706 -4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.280 -8.250 -0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.302 -9.823 0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.597 -9.406 -1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.867 -7.295 -4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.602 -7.594 -3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.266 -7.235 -2.616 1.00 0.00 H new ATOM 1143 N ALA A 76 9.222 -12.154 -1.506 1.00 0.00 N ATOM 1144 CA ALA A 76 10.192 -12.810 -0.641 1.00 0.00 C ATOM 1145 C ALA A 76 9.739 -14.215 -0.227 1.00 0.00 C ATOM 1146 O ALA A 76 10.254 -14.769 0.741 1.00 0.00 O ATOM 1147 CB ALA A 76 10.502 -11.917 0.557 1.00 0.00 C ATOM 0 H ALA A 76 9.616 -11.824 -2.387 1.00 0.00 H new ATOM 0 HA ALA A 76 11.115 -12.955 -1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.228 -12.412 1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.913 -10.970 0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.586 -11.731 1.118 1.00 0.00 H new ATOM 1153 N GLY A 77 8.778 -14.787 -0.959 1.00 0.00 N ATOM 1154 CA GLY A 77 8.239 -16.105 -0.662 1.00 0.00 C ATOM 1155 C GLY A 77 7.062 -16.048 0.310 1.00 0.00 C ATOM 1156 O GLY A 77 6.558 -17.092 0.717 1.00 0.00 O ATOM 0 H GLY A 77 8.355 -14.343 -1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.918 -16.581 -1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.026 -16.729 -0.239 1.00 0.00 H new ATOM 1160 N GLN A 78 6.622 -14.840 0.688 1.00 0.00 N ATOM 1161 CA GLN A 78 5.523 -14.653 1.615 1.00 0.00 C ATOM 1162 C GLN A 78 4.446 -13.760 0.990 1.00 0.00 C ATOM 1163 O GLN A 78 4.740 -12.709 0.425 1.00 0.00 O ATOM 1164 CB GLN A 78 6.117 -14.096 2.910 1.00 0.00 C ATOM 1165 CG GLN A 78 5.070 -13.651 3.932 1.00 0.00 C ATOM 1166 CD GLN A 78 5.217 -12.159 4.198 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.097 -11.352 3.150 1.00 0.00 O flip ATOM 1168 NE2 GLN A 78 5.437 -11.736 5.329 1.00 0.00 N flip ATOM 0 H GLN A 78 7.028 -13.967 0.351 1.00 0.00 H new ATOM 0 HA GLN A 78 5.015 -15.590 1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.752 -14.857 3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.758 -13.248 2.669 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.069 -13.867 3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.192 -14.210 4.860 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.523 -12.387 6.109 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.534 -10.733 5.489 1.00 0.00 H new ATOM 1177 N VAL A 79 3.183 -14.187 1.093 1.00 0.00 N ATOM 1178 CA VAL A 79 2.029 -13.480 0.544 1.00 0.00 C ATOM 1179 C VAL A 79 1.852 -12.130 1.229 1.00 0.00 C ATOM 1180 O VAL A 79 2.055 -12.018 2.437 1.00 0.00 O ATOM 1181 CB VAL A 79 0.777 -14.343 0.742 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.449 -13.674 0.128 1.00 0.00 C ATOM 1183 CG2 VAL A 79 0.948 -15.707 0.077 1.00 0.00 C ATOM 0 H VAL A 79 2.933 -15.053 1.571 1.00 0.00 H new ATOM 0 HA VAL A 79 2.188 -13.300 -0.519 1.00 0.00 H new ATOM 0 HB VAL A 79 0.638 -14.463 1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.324 -14.306 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.612 -12.707 0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.288 -13.531 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.048 -16.302 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.116 -15.572 -0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.802 -16.222 0.517 1.00 0.00 H new ATOM 1193 N LEU A 80 1.476 -11.110 0.454 1.00 0.00 N ATOM 1194 CA LEU A 80 1.212 -9.785 1.003 1.00 0.00 C ATOM 1195 C LEU A 80 -0.271 -9.588 1.291 1.00 0.00 C ATOM 1196 O LEU A 80 -1.119 -10.269 0.717 1.00 0.00 O ATOM 1197 CB LEU A 80 1.712 -8.698 0.047 1.00 0.00 C ATOM 1198 CG LEU A 80 3.183 -8.873 -0.335 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.631 -7.638 -1.105 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.060 -9.024 0.902 1.00 0.00 C ATOM 0 H LEU A 80 1.348 -11.180 -0.556 1.00 0.00 H new ATOM 0 HA LEU A 80 1.753 -9.704 1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.103 -8.708 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.576 -7.722 0.512 1.00 0.00 H new ATOM 0 HG LEU A 80 3.283 -9.774 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.679 -7.745 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.023 -7.529 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.512 -6.755 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.100 -9.147 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.967 -8.135 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.742 -9.899 1.469 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.581 -8.644 2.181 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.950 -8.267 2.488 1.00 0.00 C ATOM 1214 C ASP A 81 -2.097 -6.768 2.231 1.00 0.00 C ATOM 1215 O ASP A 81 -1.687 -5.951 3.054 1.00 0.00 O ATOM 1216 CB ASP A 81 -2.287 -8.630 3.933 1.00 0.00 C ATOM 1217 CG ASP A 81 -3.763 -8.379 4.226 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -4.590 -8.689 3.339 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -4.054 -7.880 5.335 1.00 0.00 O ATOM 0 H ASP A 81 0.118 -8.121 2.708 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.651 -8.809 1.853 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.049 -9.678 4.114 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.672 -8.041 4.613 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.680 -6.409 1.087 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.711 -5.036 0.608 1.00 0.00 C ATOM 1226 C ILE A 82 -4.147 -4.527 0.521 1.00 0.00 C ATOM 1227 O ILE A 82 -5.046 -5.253 0.094 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.982 -4.981 -0.734 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.505 -5.304 -0.478 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -2.111 -3.599 -1.377 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.188 -5.742 -1.757 1.00 0.00 C ATOM 0 H ILE A 82 -3.146 -7.071 0.466 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.200 -4.373 1.307 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.424 -5.703 -1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.003 -4.427 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.426 -6.092 0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.582 -3.590 -2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.164 -3.372 -1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.679 -2.848 -0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.234 -5.965 -1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.301 -6.634 -2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.129 -4.942 -2.495 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.367 -3.273 0.927 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.672 -2.631 0.862 1.00 0.00 C ATOM 1245 C ASN A 83 -5.502 -1.113 0.900 1.00 0.00 C ATOM 1246 O ASN A 83 -4.421 -0.616 1.211 1.00 0.00 O ATOM 1247 CB ASN A 83 -6.551 -3.113 2.022 1.00 0.00 C ATOM 1248 CG ASN A 83 -5.923 -2.869 3.385 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -5.323 -3.769 3.963 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -6.052 -1.657 3.914 1.00 0.00 N ATOM 0 H ASN A 83 -3.636 -2.675 1.312 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.163 -2.900 -0.073 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.514 -2.605 1.976 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.747 -4.179 1.904 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.646 -1.453 4.827 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.557 -0.930 3.407 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.567 -0.370 0.587 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.543 1.080 0.651 1.00 0.00 C ATOM 1259 C LEU A 84 -6.225 1.524 2.076 1.00 0.00 C ATOM 1260 O LEU A 84 -6.724 0.929 3.028 1.00 0.00 O ATOM 1261 CB LEU A 84 -7.915 1.614 0.233 1.00 0.00 C ATOM 1262 CG LEU A 84 -7.786 2.918 -0.547 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -7.340 2.609 -1.974 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -9.134 3.635 -0.581 1.00 0.00 C ATOM 0 H LEU A 84 -7.460 -0.760 0.285 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.777 1.470 -0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.426 0.871 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.530 1.776 1.118 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.050 3.559 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.247 3.539 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.376 2.100 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.078 1.967 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.037 4.566 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.873 2.997 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.455 3.854 0.437 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.405 2.569 2.228 1.00 0.00 N ATOM 1277 CA ALA A 85 -5.000 3.056 3.541 1.00 0.00 C ATOM 1278 C ALA A 85 -6.162 3.665 4.330 1.00 0.00 C ATOM 1279 O ALA A 85 -5.965 4.093 5.467 1.00 0.00 O ATOM 1280 CB ALA A 85 -3.878 4.074 3.370 1.00 0.00 C ATOM 0 H ALA A 85 -5.009 3.094 1.448 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.649 2.203 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.569 4.443 4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.029 3.601 2.877 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.232 4.907 2.763 1.00 0.00 H new ATOM 1463 N LYS A 98 -2.620 -17.709 10.630 1.00 0.00 N ATOM 1464 CA LYS A 98 -3.729 -17.319 11.491 1.00 0.00 C ATOM 1465 C LYS A 98 -4.454 -18.556 12.021 1.00 0.00 C ATOM 1466 O LYS A 98 -5.649 -18.511 12.305 1.00 0.00 O ATOM 1467 CB LYS A 98 -4.648 -16.371 10.714 1.00 0.00 C ATOM 1468 CG LYS A 98 -3.862 -15.127 10.288 1.00 0.00 C ATOM 1469 CD LYS A 98 -4.645 -14.322 9.259 1.00 0.00 C ATOM 1470 CE LYS A 98 -3.782 -13.147 8.804 1.00 0.00 C ATOM 1471 NZ LYS A 98 -4.457 -12.356 7.756 1.00 0.00 N ATOM 0 HA LYS A 98 -3.364 -16.784 12.368 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.051 -16.877 9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.497 -16.082 11.334 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.653 -14.507 11.160 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.900 -15.424 9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.909 -14.950 8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.579 -13.961 9.691 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.558 -12.507 9.657 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.830 -13.518 8.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.845 -11.566 7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.649 -12.962 6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.354 -11.982 8.127 1.00 0.00 H new ATOM 1485 N ARG A 99 -3.711 -19.660 12.147 1.00 0.00 N ATOM 1486 CA ARG A 99 -4.222 -20.945 12.609 1.00 0.00 C ATOM 1487 C ARG A 99 -3.350 -21.446 13.761 1.00 0.00 C ATOM 1488 O ARG A 99 -2.341 -20.824 14.091 1.00 0.00 O ATOM 1489 CB ARG A 99 -4.235 -21.915 11.420 1.00 0.00 C ATOM 1490 CG ARG A 99 -5.210 -23.084 11.596 1.00 0.00 C ATOM 1491 CD ARG A 99 -6.655 -22.588 11.632 1.00 0.00 C ATOM 1492 NE ARG A 99 -7.599 -23.709 11.706 1.00 0.00 N ATOM 1493 CZ ARG A 99 -8.928 -23.568 11.720 1.00 0.00 C ATOM 1494 NH1 ARG A 99 -9.484 -22.360 11.672 1.00 0.00 N ATOM 1495 NH2 ARG A 99 -9.712 -24.640 11.781 1.00 0.00 N ATOM 0 H ARG A 99 -2.716 -19.681 11.924 1.00 0.00 H new ATOM 0 HA ARG A 99 -5.241 -20.857 12.987 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -4.498 -21.366 10.516 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -3.230 -22.310 11.272 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -5.085 -23.793 10.778 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.981 -23.618 12.518 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.796 -21.933 12.492 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.861 -21.994 10.742 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.217 -24.654 11.749 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -8.895 -21.529 11.624 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.500 -22.265 11.683 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.299 -25.572 11.817 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.726 -24.530 11.792 1.00 0.00 H new ATOM 1509 N SER A 100 -3.735 -22.569 14.373 1.00 0.00 N ATOM 1510 CA SER A 100 -3.023 -23.149 15.503 1.00 0.00 C ATOM 1511 C SER A 100 -1.609 -23.602 15.139 1.00 0.00 C ATOM 1512 O SER A 100 -0.815 -23.885 16.034 1.00 0.00 O ATOM 1513 CB SER A 100 -3.824 -24.350 16.003 1.00 0.00 C ATOM 1514 OG SER A 100 -5.035 -23.910 16.577 1.00 0.00 O ATOM 0 H SER A 100 -4.558 -23.102 14.092 1.00 0.00 H new ATOM 0 HA SER A 100 -2.924 -22.383 16.272 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.029 -25.032 15.177 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.243 -24.906 16.739 1.00 0.00 H new ATOM 0 HG SER A 100 -5.546 -24.683 16.895 1.00 0.00 H new ATOM 1520 N ALA A 101 -1.291 -23.672 13.841 1.00 0.00 N ATOM 1521 CA ALA A 101 -0.015 -24.164 13.340 1.00 0.00 C ATOM 1522 C ALA A 101 0.327 -25.556 13.887 1.00 0.00 C ATOM 1523 O ALA A 101 1.481 -25.980 13.827 1.00 0.00 O ATOM 1524 CB ALA A 101 1.088 -23.135 13.600 1.00 0.00 C ATOM 0 H ALA A 101 -1.930 -23.381 13.101 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.099 -24.291 12.261 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.037 -23.515 13.221 1.00 0.00 H new ATOM 0 HB2 ALA A 101 0.842 -22.202 13.093 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.172 -22.954 14.672 1.00 0.00 H new ATOM 1530 N ALA A 102 -0.676 -26.264 14.422 1.00 0.00 N ATOM 1531 CA ALA A 102 -0.495 -27.581 15.012 1.00 0.00 C ATOM 1532 C ALA A 102 -1.757 -28.439 14.876 1.00 0.00 C ATOM 1533 O ALA A 102 -1.821 -29.539 15.420 1.00 0.00 O ATOM 1534 CB ALA A 102 -0.125 -27.410 16.480 1.00 0.00 C ATOM 0 H ALA A 102 -1.639 -25.930 14.454 1.00 0.00 H new ATOM 0 HA ALA A 102 0.303 -28.099 14.481 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.014 -28.390 16.937 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.800 -26.839 16.558 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.924 -26.879 16.997 1.00 0.00 H new ATOM 1540 N GLU A 103 -2.760 -27.938 14.151 1.00 0.00 N ATOM 1541 CA GLU A 103 -4.050 -28.586 13.980 1.00 0.00 C ATOM 1542 C GLU A 103 -3.970 -29.894 13.191 1.00 0.00 C ATOM 1543 O GLU A 103 -4.968 -30.607 13.078 1.00 0.00 O ATOM 1544 CB GLU A 103 -5.011 -27.605 13.300 1.00 0.00 C ATOM 1545 CG GLU A 103 -4.531 -27.182 11.907 1.00 0.00 C ATOM 1546 CD GLU A 103 -3.309 -26.265 11.939 1.00 0.00 C ATOM 1547 OE1 GLU A 103 -3.211 -25.463 12.893 1.00 0.00 O ATOM 1548 OE2 GLU A 103 -2.482 -26.374 11.009 1.00 0.00 O ATOM 0 H GLU A 103 -2.690 -27.048 13.657 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.417 -28.857 14.970 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.996 -28.065 13.217 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.124 -26.720 13.926 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.292 -28.073 11.327 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.344 -26.673 11.389 1.00 0.00 H new ATOM 1555 N MET A 104 -2.799 -30.221 12.640 1.00 0.00 N ATOM 1556 CA MET A 104 -2.573 -31.458 11.906 1.00 0.00 C ATOM 1557 C MET A 104 -1.698 -32.423 12.706 1.00 0.00 C ATOM 1558 O MET A 104 -1.273 -33.453 12.183 1.00 0.00 O ATOM 1559 CB MET A 104 -1.961 -31.145 10.537 1.00 0.00 C ATOM 1560 CG MET A 104 -2.968 -30.390 9.664 1.00 0.00 C ATOM 1561 SD MET A 104 -2.341 -29.937 8.026 1.00 0.00 S ATOM 1562 CE MET A 104 -1.114 -28.698 8.516 1.00 0.00 C ATOM 0 H MET A 104 -1.974 -29.624 12.694 1.00 0.00 H new ATOM 0 HA MET A 104 -3.531 -31.954 11.749 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.058 -30.547 10.663 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.664 -32.071 10.044 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.859 -31.006 9.542 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.276 -29.484 10.186 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.814 -28.118 7.643 1.00 0.00 H new ATOM 0 HE2 MET A 104 -1.547 -28.032 9.263 1.00 0.00 H new ATOM 0 HE3 MET A 104 -0.241 -29.197 8.937 1.00 0.00 H new ATOM 1572 N TYR A 105 -1.423 -32.093 13.973 1.00 0.00 N ATOM 1573 CA TYR A 105 -0.569 -32.905 14.830 1.00 0.00 C ATOM 1574 C TYR A 105 -1.196 -33.131 16.211 1.00 0.00 C ATOM 1575 O TYR A 105 -0.587 -33.785 17.057 1.00 0.00 O ATOM 1576 CB TYR A 105 0.799 -32.230 14.956 1.00 0.00 C ATOM 1577 CG TYR A 105 1.408 -31.835 13.630 1.00 0.00 C ATOM 1578 CD1 TYR A 105 1.105 -30.581 13.080 1.00 0.00 C ATOM 1579 CD2 TYR A 105 2.265 -32.711 12.949 1.00 0.00 C ATOM 1580 CE1 TYR A 105 1.660 -30.192 11.856 1.00 0.00 C ATOM 1581 CE2 TYR A 105 2.827 -32.331 11.720 1.00 0.00 C ATOM 1582 CZ TYR A 105 2.528 -31.066 11.171 1.00 0.00 C ATOM 1583 OH TYR A 105 3.073 -30.689 9.981 1.00 0.00 O ATOM 0 H TYR A 105 -1.788 -31.256 14.427 1.00 0.00 H new ATOM 0 HA TYR A 105 -0.452 -33.888 14.374 1.00 0.00 H new ATOM 0 HB2 TYR A 105 0.699 -31.341 15.579 1.00 0.00 H new ATOM 0 HB3 TYR A 105 1.481 -32.906 15.472 1.00 0.00 H new ATOM 0 HD1 TYR A 105 0.439 -29.912 13.604 1.00 0.00 H new ATOM 0 HD2 TYR A 105 2.493 -33.679 13.370 1.00 0.00 H new ATOM 0 HE1 TYR A 105 1.424 -29.225 11.437 1.00 0.00 H new ATOM 0 HE2 TYR A 105 3.487 -33.006 11.195 1.00 0.00 H new ATOM 0 HH TYR A 105 3.648 -31.407 9.643 1.00 0.00 H new ATOM 1593 N GLY A 106 -2.400 -32.597 16.439 1.00 0.00 N ATOM 1594 CA GLY A 106 -3.101 -32.735 17.704 1.00 0.00 C ATOM 1595 C GLY A 106 -4.392 -31.925 17.707 1.00 0.00 C ATOM 1596 O GLY A 106 -4.713 -31.270 16.718 1.00 0.00 O ATOM 1597 OXT GLY A 106 -5.127 -31.909 18.679 1.00 0.00 O ATOM 0 H GLY A 106 -2.912 -32.055 15.743 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.327 -33.786 17.885 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.457 -32.402 18.518 1.00 0.00 H new