USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 639 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 10 HIS : no HE2:sc= -0.797 K(o=-0.29,f=-4.6!) USER MOD Set 1.2: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 59 ASN : amide:sc= 0.504 K(o=-0.29,f=-9.6!) USER MOD Single : A 22 THR OG1 : rot -40:sc= 0.932 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -1.8 K(o=-1.8,f=-11!) USER MOD Single : A 36 HIS : no HE2:sc= -0.895 K(o=-0.9,f=-2.7) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 30:sc= -0.61 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.431 F(o=-1.9,f=-0.43) USER MOD Single : A 76 TYR OH : rot 125:sc= -1.18 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 49:sc= -0.735 USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 12.833 9.190 -1.557 1.00 65.11 N ATOM 147 CA HIS A 10 11.960 8.283 -0.799 1.00 4.34 C ATOM 148 C HIS A 10 10.636 7.992 -1.534 1.00 31.34 C ATOM 149 O HIS A 10 9.676 7.513 -0.928 1.00 71.34 O ATOM 150 CB HIS A 10 11.673 8.880 0.585 1.00 33.45 C ATOM 151 CG HIS A 10 10.794 10.099 0.565 1.00 21.21 C ATOM 152 ND1 HIS A 10 9.420 10.039 0.649 1.00 62.22 N ATOM 153 CD2 HIS A 10 11.100 11.416 0.492 1.00 32.20 C ATOM 154 CE1 HIS A 10 8.924 11.258 0.629 1.00 24.10 C ATOM 155 NE2 HIS A 10 9.920 12.115 0.535 1.00 73.32 N ATOM 0 HA HIS A 10 12.485 7.333 -0.694 1.00 4.34 H new ATOM 0 HB2 HIS A 10 11.202 8.118 1.206 1.00 33.45 H new ATOM 0 HB3 HIS A 10 12.620 9.137 1.060 1.00 33.45 H new ATOM 0 HD1 HIS A 10 8.872 9.182 0.716 1.00 62.22 H new ATOM 0 HD2 HIS A 10 12.091 11.839 0.414 1.00 32.20 H new ATOM 0 HE1 HIS A 10 7.876 11.513 0.681 1.00 24.10 H new ATOM 164 N MET A 11 10.595 8.266 -2.834 1.00 44.13 N ATOM 165 CA MET A 11 9.374 8.075 -3.624 1.00 24.22 C ATOM 166 C MET A 11 9.246 6.618 -4.098 1.00 23.32 C ATOM 167 O MET A 11 9.832 6.227 -5.103 1.00 11.15 O ATOM 168 CB MET A 11 9.363 9.028 -4.827 1.00 63.51 C ATOM 169 CG MET A 11 9.631 10.483 -4.458 1.00 60.52 C ATOM 170 SD MET A 11 8.529 11.098 -3.166 1.00 73.24 S ATOM 171 CE MET A 11 9.115 12.784 -2.988 1.00 10.43 C ATOM 0 H MET A 11 11.390 8.621 -3.366 1.00 44.13 H new ATOM 0 HA MET A 11 8.519 8.301 -2.986 1.00 24.22 H new ATOM 0 HB2 MET A 11 10.114 8.700 -5.546 1.00 63.51 H new ATOM 0 HB3 MET A 11 8.395 8.961 -5.324 1.00 63.51 H new ATOM 0 HG2 MET A 11 10.664 10.583 -4.125 1.00 60.52 H new ATOM 0 HG3 MET A 11 9.521 11.104 -5.347 1.00 60.52 H new ATOM 0 HE1 MET A 11 8.530 13.294 -2.223 1.00 10.43 H new ATOM 0 HE2 MET A 11 10.165 12.775 -2.696 1.00 10.43 H new ATOM 0 HE3 MET A 11 9.007 13.309 -3.937 1.00 10.43 H new ATOM 181 N VAL A 12 8.492 5.814 -3.354 1.00 24.12 N ATOM 182 CA VAL A 12 8.298 4.395 -3.681 1.00 3.53 C ATOM 183 C VAL A 12 6.806 4.027 -3.666 1.00 30.42 C ATOM 184 O VAL A 12 6.119 4.224 -2.665 1.00 41.21 O ATOM 185 CB VAL A 12 9.062 3.480 -2.688 1.00 70.52 C ATOM 186 CG1 VAL A 12 8.918 2.011 -3.079 1.00 72.43 C ATOM 187 CG2 VAL A 12 10.536 3.874 -2.606 1.00 55.44 C ATOM 0 H VAL A 12 8.000 6.119 -2.514 1.00 24.12 H new ATOM 0 HA VAL A 12 8.696 4.238 -4.684 1.00 3.53 H new ATOM 0 HB VAL A 12 8.619 3.614 -1.701 1.00 70.52 H new ATOM 0 HG11 VAL A 12 9.462 1.390 -2.368 1.00 72.43 H new ATOM 0 HG12 VAL A 12 7.864 1.734 -3.070 1.00 72.43 H new ATOM 0 HG13 VAL A 12 9.325 1.859 -4.079 1.00 72.43 H new ATOM 0 HG21 VAL A 12 11.050 3.218 -1.903 1.00 55.44 H new ATOM 0 HG22 VAL A 12 10.993 3.780 -3.591 1.00 55.44 H new ATOM 0 HG23 VAL A 12 10.618 4.906 -2.265 1.00 55.44 H new ATOM 197 N VAL A 13 6.310 3.478 -4.774 1.00 62.24 N ATOM 198 CA VAL A 13 4.878 3.183 -4.926 1.00 4.43 C ATOM 199 C VAL A 13 4.575 1.675 -4.909 1.00 33.41 C ATOM 200 O VAL A 13 5.428 0.845 -5.240 1.00 71.23 O ATOM 201 CB VAL A 13 4.314 3.791 -6.235 1.00 63.23 C ATOM 202 CG1 VAL A 13 4.405 5.315 -6.203 1.00 44.24 C ATOM 203 CG2 VAL A 13 5.042 3.224 -7.456 1.00 13.21 C ATOM 0 H VAL A 13 6.877 3.226 -5.584 1.00 62.24 H new ATOM 0 HA VAL A 13 4.391 3.640 -4.065 1.00 4.43 H new ATOM 0 HB VAL A 13 3.262 3.516 -6.314 1.00 63.23 H new ATOM 0 HG11 VAL A 13 4.004 5.723 -7.131 1.00 44.24 H new ATOM 0 HG12 VAL A 13 3.829 5.696 -5.360 1.00 44.24 H new ATOM 0 HG13 VAL A 13 5.447 5.615 -6.095 1.00 44.24 H new ATOM 0 HG21 VAL A 13 4.629 3.665 -8.363 1.00 13.21 H new ATOM 0 HG22 VAL A 13 6.104 3.460 -7.389 1.00 13.21 H new ATOM 0 HG23 VAL A 13 4.912 2.142 -7.487 1.00 13.21 H new ATOM 213 N ILE A 14 3.345 1.338 -4.522 1.00 34.52 N ATOM 214 CA ILE A 14 2.867 -0.050 -4.532 1.00 23.43 C ATOM 215 C ILE A 14 1.956 -0.280 -5.760 1.00 13.33 C ATOM 216 O ILE A 14 1.096 0.547 -6.068 1.00 43.01 O ATOM 217 CB ILE A 14 2.103 -0.382 -3.215 1.00 14.04 C ATOM 218 CG1 ILE A 14 1.940 -1.903 -3.033 1.00 34.41 C ATOM 219 CG2 ILE A 14 0.744 0.318 -3.162 1.00 12.21 C ATOM 220 CD1 ILE A 14 3.228 -2.615 -2.666 1.00 20.42 C ATOM 0 H ILE A 14 2.653 2.012 -4.194 1.00 34.52 H new ATOM 0 HA ILE A 14 3.727 -0.716 -4.598 1.00 23.43 H new ATOM 0 HB ILE A 14 2.705 -0.004 -2.388 1.00 14.04 H new ATOM 0 HG12 ILE A 14 1.198 -2.090 -2.256 1.00 34.41 H new ATOM 0 HG13 ILE A 14 1.549 -2.331 -3.956 1.00 34.41 H new ATOM 0 HG21 ILE A 14 0.240 0.063 -2.230 1.00 12.21 H new ATOM 0 HG22 ILE A 14 0.888 1.397 -3.213 1.00 12.21 H new ATOM 0 HG23 ILE A 14 0.134 -0.007 -4.005 1.00 12.21 H new ATOM 0 HD11 ILE A 14 3.035 -3.682 -2.555 1.00 20.42 H new ATOM 0 HD12 ILE A 14 3.966 -2.460 -3.453 1.00 20.42 H new ATOM 0 HD13 ILE A 14 3.610 -2.215 -1.726 1.00 20.42 H new ATOM 232 N ARG A 15 2.152 -1.387 -6.473 1.00 42.34 N ATOM 233 CA ARG A 15 1.467 -1.603 -7.758 1.00 53.41 C ATOM 234 C ARG A 15 0.838 -3.003 -7.888 1.00 34.15 C ATOM 235 O ARG A 15 1.155 -3.921 -7.130 1.00 32.11 O ATOM 236 CB ARG A 15 2.458 -1.361 -8.906 1.00 62.10 C ATOM 237 CG ARG A 15 2.758 0.117 -9.159 1.00 44.34 C ATOM 238 CD ARG A 15 3.996 0.308 -10.027 1.00 52.42 C ATOM 239 NE ARG A 15 4.031 -0.621 -11.155 1.00 64.44 N ATOM 240 CZ ARG A 15 3.848 -0.282 -12.402 1.00 33.10 C ATOM 241 NH1 ARG A 15 3.531 0.933 -12.719 1.00 53.35 N ATOM 242 NH2 ARG A 15 3.977 -1.174 -13.332 1.00 51.54 N ATOM 0 H ARG A 15 2.773 -2.146 -6.191 1.00 42.34 H new ATOM 0 HA ARG A 15 0.642 -0.893 -7.806 1.00 53.41 H new ATOM 0 HB2 ARG A 15 3.391 -1.879 -8.684 1.00 62.10 H new ATOM 0 HB3 ARG A 15 2.058 -1.803 -9.819 1.00 62.10 H new ATOM 0 HG2 ARG A 15 1.900 0.583 -9.644 1.00 44.34 H new ATOM 0 HG3 ARG A 15 2.901 0.626 -8.206 1.00 44.34 H new ATOM 0 HD2 ARG A 15 4.020 1.331 -10.401 1.00 52.42 H new ATOM 0 HD3 ARG A 15 4.889 0.170 -9.418 1.00 52.42 H new ATOM 0 HE ARG A 15 4.211 -1.604 -10.953 1.00 64.44 H new ATOM 0 HH11 ARG A 15 3.422 1.638 -11.990 1.00 53.35 H new ATOM 0 HH12 ARG A 15 3.391 1.185 -13.697 1.00 53.35 H new ATOM 0 HH21 ARG A 15 4.220 -2.134 -13.088 1.00 51.54 H new ATOM 0 HH22 ARG A 15 3.836 -0.917 -14.309 1.00 51.54 H new ATOM 256 N ARG A 16 -0.062 -3.131 -8.874 1.00 53.13 N ATOM 257 CA ARG A 16 -0.757 -4.391 -9.187 1.00 4.34 C ATOM 258 C ARG A 16 -1.719 -4.837 -8.074 1.00 42.32 C ATOM 259 O ARG A 16 -1.952 -6.030 -7.884 1.00 54.22 O ATOM 260 CB ARG A 16 0.245 -5.508 -9.525 1.00 4.12 C ATOM 261 CG ARG A 16 0.987 -5.276 -10.842 1.00 11.25 C ATOM 262 CD ARG A 16 1.668 -6.545 -11.351 1.00 5.41 C ATOM 263 NE ARG A 16 0.745 -7.683 -11.415 1.00 75.55 N ATOM 264 CZ ARG A 16 -0.278 -7.774 -12.230 1.00 12.41 C ATOM 265 NH1 ARG A 16 -0.543 -6.835 -13.084 1.00 33.44 N ATOM 266 NH2 ARG A 16 -1.043 -8.816 -12.190 1.00 12.15 N ATOM 0 H ARG A 16 -0.331 -2.358 -9.482 1.00 53.13 H new ATOM 0 HA ARG A 16 -1.368 -4.194 -10.068 1.00 4.34 H new ATOM 0 HB2 ARG A 16 0.971 -5.592 -8.717 1.00 4.12 H new ATOM 0 HB3 ARG A 16 -0.285 -6.459 -9.577 1.00 4.12 H new ATOM 0 HG2 ARG A 16 0.285 -4.916 -11.594 1.00 11.25 H new ATOM 0 HG3 ARG A 16 1.735 -4.495 -10.703 1.00 11.25 H new ATOM 0 HD2 ARG A 16 2.083 -6.360 -12.342 1.00 5.41 H new ATOM 0 HD3 ARG A 16 2.504 -6.794 -10.697 1.00 5.41 H new ATOM 0 HE ARG A 16 0.911 -8.462 -10.778 1.00 75.55 H new ATOM 0 HH11 ARG A 16 0.049 -6.006 -13.131 1.00 33.44 H new ATOM 0 HH12 ARG A 16 -1.344 -6.925 -13.709 1.00 33.44 H new ATOM 0 HH21 ARG A 16 -0.850 -9.565 -11.525 1.00 12.15 H new ATOM 0 HH22 ARG A 16 -1.839 -8.889 -12.823 1.00 12.15 H new ATOM 280 N LEU A 17 -2.302 -3.869 -7.368 1.00 44.23 N ATOM 281 CA LEU A 17 -3.334 -4.155 -6.362 1.00 10.35 C ATOM 282 C LEU A 17 -4.708 -4.371 -7.026 1.00 13.24 C ATOM 283 O LEU A 17 -5.215 -3.490 -7.726 1.00 62.42 O ATOM 284 CB LEU A 17 -3.430 -3.012 -5.334 1.00 3.21 C ATOM 285 CG LEU A 17 -2.381 -3.028 -4.207 1.00 14.43 C ATOM 286 CD1 LEU A 17 -2.505 -4.299 -3.367 1.00 61.00 C ATOM 287 CD2 LEU A 17 -0.968 -2.887 -4.765 1.00 52.23 C ATOM 0 H LEU A 17 -2.080 -2.879 -7.471 1.00 44.23 H new ATOM 0 HA LEU A 17 -3.045 -5.071 -5.847 1.00 10.35 H new ATOM 0 HB2 LEU A 17 -3.349 -2.064 -5.866 1.00 3.21 H new ATOM 0 HB3 LEU A 17 -4.421 -3.039 -4.881 1.00 3.21 H new ATOM 0 HG LEU A 17 -2.574 -2.171 -3.562 1.00 14.43 H new ATOM 0 HD11 LEU A 17 -1.754 -4.288 -2.577 1.00 61.00 H new ATOM 0 HD12 LEU A 17 -3.499 -4.345 -2.922 1.00 61.00 H new ATOM 0 HD13 LEU A 17 -2.351 -5.171 -4.002 1.00 61.00 H new ATOM 0 HD21 LEU A 17 -0.250 -2.902 -3.945 1.00 52.23 H new ATOM 0 HD22 LEU A 17 -0.761 -3.714 -5.444 1.00 52.23 H new ATOM 0 HD23 LEU A 17 -0.883 -1.944 -5.305 1.00 52.23 H new ATOM 299 N PRO A 18 -5.319 -5.555 -6.837 1.00 40.11 N ATOM 300 CA PRO A 18 -6.671 -5.830 -7.332 1.00 41.33 C ATOM 301 C PRO A 18 -7.768 -5.318 -6.372 1.00 34.53 C ATOM 302 O PRO A 18 -7.662 -5.475 -5.152 1.00 54.45 O ATOM 303 CB PRO A 18 -6.690 -7.359 -7.428 1.00 72.24 C ATOM 304 CG PRO A 18 -5.761 -7.822 -6.351 1.00 44.22 C ATOM 305 CD PRO A 18 -4.737 -6.724 -6.147 1.00 11.43 C ATOM 0 HA PRO A 18 -6.881 -5.326 -8.275 1.00 41.33 H new ATOM 0 HB2 PRO A 18 -7.696 -7.752 -7.279 1.00 72.24 H new ATOM 0 HB3 PRO A 18 -6.358 -7.698 -8.409 1.00 72.24 H new ATOM 0 HG2 PRO A 18 -6.307 -8.016 -5.428 1.00 44.22 H new ATOM 0 HG3 PRO A 18 -5.275 -8.755 -6.636 1.00 44.22 H new ATOM 0 HD2 PRO A 18 -4.575 -6.522 -5.088 1.00 11.43 H new ATOM 0 HD3 PRO A 18 -3.771 -6.997 -6.571 1.00 11.43 H new ATOM 313 N PRO A 19 -8.840 -4.698 -6.907 1.00 41.52 N ATOM 314 CA PRO A 19 -9.935 -4.153 -6.080 1.00 44.33 C ATOM 315 C PRO A 19 -10.680 -5.236 -5.278 1.00 42.34 C ATOM 316 O PRO A 19 -11.398 -6.062 -5.845 1.00 24.23 O ATOM 317 CB PRO A 19 -10.875 -3.502 -7.107 1.00 72.20 C ATOM 318 CG PRO A 19 -10.542 -4.156 -8.409 1.00 25.12 C ATOM 319 CD PRO A 19 -9.073 -4.476 -8.346 1.00 2.01 C ATOM 0 HA PRO A 19 -9.558 -3.462 -5.326 1.00 44.33 H new ATOM 0 HB2 PRO A 19 -11.920 -3.662 -6.842 1.00 72.20 H new ATOM 0 HB3 PRO A 19 -10.720 -2.424 -7.156 1.00 72.20 H new ATOM 0 HG2 PRO A 19 -11.133 -5.060 -8.554 1.00 25.12 H new ATOM 0 HG3 PRO A 19 -10.762 -3.494 -9.246 1.00 25.12 H new ATOM 0 HD2 PRO A 19 -8.827 -5.360 -8.935 1.00 2.01 H new ATOM 0 HD3 PRO A 19 -8.465 -3.657 -8.731 1.00 2.01 H new ATOM 327 N GLY A 20 -10.504 -5.226 -3.956 1.00 31.14 N ATOM 328 CA GLY A 20 -11.161 -6.213 -3.111 1.00 73.32 C ATOM 329 C GLY A 20 -11.352 -5.750 -1.669 1.00 60.51 C ATOM 330 O GLY A 20 -12.315 -5.051 -1.361 1.00 44.03 O ATOM 0 H GLY A 20 -9.920 -4.555 -3.457 1.00 31.14 H new ATOM 0 HA2 GLY A 20 -12.134 -6.455 -3.538 1.00 73.32 H new ATOM 0 HA3 GLY A 20 -10.574 -7.131 -3.115 1.00 73.32 H new ATOM 334 N LEU A 21 -10.438 -6.147 -0.787 1.00 0.13 N ATOM 335 CA LEU A 21 -10.533 -5.813 0.643 1.00 14.44 C ATOM 336 C LEU A 21 -10.570 -4.293 0.902 1.00 72.34 C ATOM 337 O LEU A 21 -10.197 -3.479 0.051 1.00 12.30 O ATOM 338 CB LEU A 21 -9.374 -6.454 1.433 1.00 40.23 C ATOM 339 CG LEU A 21 -7.973 -5.847 1.214 1.00 30.44 C ATOM 340 CD1 LEU A 21 -6.961 -6.498 2.153 1.00 5.40 C ATOM 341 CD2 LEU A 21 -7.519 -5.991 -0.238 1.00 73.52 C ATOM 0 H LEU A 21 -9.618 -6.702 -1.033 1.00 0.13 H new ATOM 0 HA LEU A 21 -11.481 -6.223 0.992 1.00 14.44 H new ATOM 0 HB2 LEU A 21 -9.610 -6.392 2.495 1.00 40.23 H new ATOM 0 HB3 LEU A 21 -9.331 -7.513 1.177 1.00 40.23 H new ATOM 0 HG LEU A 21 -8.033 -4.782 1.439 1.00 30.44 H new ATOM 0 HD11 LEU A 21 -5.977 -6.060 1.987 1.00 5.40 H new ATOM 0 HD12 LEU A 21 -7.264 -6.330 3.187 1.00 5.40 H new ATOM 0 HD13 LEU A 21 -6.919 -7.569 1.956 1.00 5.40 H new ATOM 0 HD21 LEU A 21 -6.528 -5.552 -0.355 1.00 73.52 H new ATOM 0 HD22 LEU A 21 -7.482 -7.047 -0.505 1.00 73.52 H new ATOM 0 HD23 LEU A 21 -8.223 -5.476 -0.892 1.00 73.52 H new ATOM 353 N THR A 22 -11.010 -3.924 2.102 1.00 31.13 N ATOM 354 CA THR A 22 -11.158 -2.515 2.490 1.00 74.40 C ATOM 355 C THR A 22 -9.869 -1.989 3.135 1.00 61.03 C ATOM 356 O THR A 22 -9.153 -2.744 3.794 1.00 15.55 O ATOM 357 CB THR A 22 -12.337 -2.338 3.484 1.00 44.04 C ATOM 358 OG1 THR A 22 -13.521 -2.953 2.950 1.00 35.32 O ATOM 359 CG2 THR A 22 -12.615 -0.861 3.762 1.00 44.33 C ATOM 0 H THR A 22 -11.274 -4.585 2.832 1.00 31.13 H new ATOM 0 HA THR A 22 -11.364 -1.944 1.585 1.00 74.40 H new ATOM 0 HB THR A 22 -12.059 -2.818 4.422 1.00 44.04 H new ATOM 0 HG1 THR A 22 -13.575 -2.777 1.987 1.00 35.32 H new ATOM 0 HG21 THR A 22 -13.446 -0.773 4.462 1.00 44.33 H new ATOM 0 HG22 THR A 22 -11.727 -0.399 4.193 1.00 44.33 H new ATOM 0 HG23 THR A 22 -12.870 -0.357 2.830 1.00 44.33 H new ATOM 367 N LYS A 23 -9.588 -0.691 2.955 1.00 3.32 N ATOM 368 CA LYS A 23 -8.358 -0.061 3.469 1.00 20.13 C ATOM 369 C LYS A 23 -8.006 -0.512 4.904 1.00 12.33 C ATOM 370 O LYS A 23 -6.838 -0.705 5.223 1.00 44.44 O ATOM 371 CB LYS A 23 -8.470 1.471 3.409 1.00 31.02 C ATOM 372 CG LYS A 23 -9.619 2.047 4.230 1.00 30.23 C ATOM 373 CD LYS A 23 -9.651 3.574 4.167 1.00 73.52 C ATOM 374 CE LYS A 23 -8.361 4.187 4.707 1.00 71.01 C ATOM 375 NZ LYS A 23 -8.397 5.672 4.689 1.00 33.00 N ATOM 0 H LYS A 23 -10.201 -0.049 2.452 1.00 3.32 H new ATOM 0 HA LYS A 23 -7.546 -0.393 2.822 1.00 20.13 H new ATOM 0 HB2 LYS A 23 -7.534 1.906 3.759 1.00 31.02 H new ATOM 0 HB3 LYS A 23 -8.593 1.775 2.369 1.00 31.02 H new ATOM 0 HG2 LYS A 23 -10.564 1.648 3.862 1.00 30.23 H new ATOM 0 HG3 LYS A 23 -9.520 1.728 5.268 1.00 30.23 H new ATOM 0 HD2 LYS A 23 -9.802 3.893 3.136 1.00 73.52 H new ATOM 0 HD3 LYS A 23 -10.499 3.945 4.743 1.00 73.52 H new ATOM 0 HE2 LYS A 23 -8.195 3.841 5.727 1.00 71.01 H new ATOM 0 HE3 LYS A 23 -7.517 3.838 4.111 1.00 71.01 H new ATOM 0 HZ1 LYS A 23 -7.502 6.046 5.064 1.00 33.00 H new ATOM 0 HZ2 LYS A 23 -8.529 6.004 3.712 1.00 33.00 H new ATOM 0 HZ3 LYS A 23 -9.186 6.007 5.278 1.00 33.00 H new ATOM 389 N GLU A 24 -9.024 -0.705 5.746 1.00 24.44 N ATOM 390 CA GLU A 24 -8.830 -1.170 7.132 1.00 73.21 C ATOM 391 C GLU A 24 -7.903 -2.399 7.215 1.00 0.30 C ATOM 392 O GLU A 24 -6.948 -2.419 7.991 1.00 34.23 O ATOM 393 CB GLU A 24 -10.192 -1.511 7.750 1.00 23.14 C ATOM 394 CG GLU A 24 -11.159 -0.332 7.794 1.00 72.40 C ATOM 395 CD GLU A 24 -12.546 -0.725 8.274 1.00 4.35 C ATOM 396 OE1 GLU A 24 -12.786 -0.719 9.500 1.00 61.42 O ATOM 397 OE2 GLU A 24 -13.411 -1.033 7.426 1.00 21.33 O ATOM 0 H GLU A 24 -10.000 -0.547 5.495 1.00 24.44 H new ATOM 0 HA GLU A 24 -8.351 -0.363 7.686 1.00 73.21 H new ATOM 0 HB2 GLU A 24 -10.647 -2.321 7.180 1.00 23.14 H new ATOM 0 HB3 GLU A 24 -10.038 -1.881 8.764 1.00 23.14 H new ATOM 0 HG2 GLU A 24 -10.756 0.438 8.452 1.00 72.40 H new ATOM 0 HG3 GLU A 24 -11.235 0.107 6.799 1.00 72.40 H new ATOM 404 N GLN A 25 -8.191 -3.423 6.408 1.00 14.31 N ATOM 405 CA GLN A 25 -7.392 -4.662 6.398 1.00 23.01 C ATOM 406 C GLN A 25 -6.345 -4.641 5.274 1.00 53.20 C ATOM 407 O GLN A 25 -5.588 -5.592 5.095 1.00 22.31 O ATOM 408 CB GLN A 25 -8.307 -5.880 6.207 1.00 64.43 C ATOM 409 CG GLN A 25 -9.490 -5.936 7.164 1.00 50.25 C ATOM 410 CD GLN A 25 -10.330 -7.184 6.960 1.00 5.34 C ATOM 411 OE1 GLN A 25 -10.112 -8.207 7.600 1.00 13.30 O ATOM 412 NE2 GLN A 25 -11.277 -7.119 6.049 1.00 2.03 N ATOM 0 H GLN A 25 -8.971 -3.424 5.751 1.00 14.31 H new ATOM 0 HA GLN A 25 -6.877 -4.731 7.356 1.00 23.01 H new ATOM 0 HB2 GLN A 25 -8.683 -5.879 5.184 1.00 64.43 H new ATOM 0 HB3 GLN A 25 -7.714 -6.787 6.328 1.00 64.43 H new ATOM 0 HG2 GLN A 25 -9.127 -5.908 8.191 1.00 50.25 H new ATOM 0 HG3 GLN A 25 -10.113 -5.053 7.022 1.00 50.25 H new ATOM 0 HE21 GLN A 25 -11.431 -6.252 5.535 1.00 2.03 H new ATOM 0 HE22 GLN A 25 -11.857 -7.936 5.857 1.00 2.03 H new ATOM 421 N LEU A 26 -6.329 -3.556 4.513 1.00 4.53 N ATOM 422 CA LEU A 26 -5.442 -3.419 3.352 1.00 40.32 C ATOM 423 C LEU A 26 -4.160 -2.633 3.683 1.00 25.31 C ATOM 424 O LEU A 26 -3.066 -2.999 3.250 1.00 23.10 O ATOM 425 CB LEU A 26 -6.220 -2.730 2.221 1.00 64.40 C ATOM 426 CG LEU A 26 -5.381 -2.136 1.077 1.00 71.15 C ATOM 427 CD1 LEU A 26 -4.762 -3.238 0.222 1.00 41.03 C ATOM 428 CD2 LEU A 26 -6.234 -1.193 0.231 1.00 32.24 C ATOM 0 H LEU A 26 -6.926 -2.745 4.677 1.00 4.53 H new ATOM 0 HA LEU A 26 -5.122 -4.414 3.042 1.00 40.32 H new ATOM 0 HB2 LEU A 26 -6.915 -3.453 1.795 1.00 64.40 H new ATOM 0 HB3 LEU A 26 -6.819 -1.930 2.656 1.00 64.40 H new ATOM 0 HG LEU A 26 -4.563 -1.561 1.511 1.00 71.15 H new ATOM 0 HD11 LEU A 26 -4.174 -2.790 -0.579 1.00 41.03 H new ATOM 0 HD12 LEU A 26 -4.116 -3.860 0.842 1.00 41.03 H new ATOM 0 HD13 LEU A 26 -5.553 -3.852 -0.208 1.00 41.03 H new ATOM 0 HD21 LEU A 26 -5.628 -0.779 -0.575 1.00 32.24 H new ATOM 0 HD22 LEU A 26 -7.074 -1.743 -0.192 1.00 32.24 H new ATOM 0 HD23 LEU A 26 -6.609 -0.382 0.856 1.00 32.24 H new ATOM 440 N GLU A 27 -4.289 -1.559 4.451 1.00 73.03 N ATOM 441 CA GLU A 27 -3.145 -0.696 4.753 1.00 71.13 C ATOM 442 C GLU A 27 -2.238 -1.292 5.837 1.00 41.51 C ATOM 443 O GLU A 27 -1.051 -0.979 5.893 1.00 44.21 O ATOM 444 CB GLU A 27 -3.622 0.694 5.181 1.00 65.22 C ATOM 445 CG GLU A 27 -4.406 0.711 6.486 1.00 73.44 C ATOM 446 CD GLU A 27 -4.991 2.077 6.788 1.00 63.03 C ATOM 447 OE1 GLU A 27 -6.030 2.430 6.194 1.00 75.22 O ATOM 448 OE2 GLU A 27 -4.405 2.815 7.605 1.00 11.43 O ATOM 0 H GLU A 27 -5.167 -1.262 4.876 1.00 73.03 H new ATOM 0 HA GLU A 27 -2.557 -0.614 3.839 1.00 71.13 H new ATOM 0 HB2 GLU A 27 -2.756 1.348 5.282 1.00 65.22 H new ATOM 0 HB3 GLU A 27 -4.246 1.111 4.390 1.00 65.22 H new ATOM 0 HG2 GLU A 27 -5.210 -0.023 6.434 1.00 73.44 H new ATOM 0 HG3 GLU A 27 -3.752 0.409 7.304 1.00 73.44 H new ATOM 455 N GLU A 28 -2.787 -2.159 6.684 1.00 22.23 N ATOM 456 CA GLU A 28 -2.020 -2.736 7.796 1.00 64.41 C ATOM 457 C GLU A 28 -0.779 -3.513 7.304 1.00 23.24 C ATOM 458 O GLU A 28 0.219 -3.609 8.018 1.00 63.10 O ATOM 459 CB GLU A 28 -2.912 -3.632 8.674 1.00 45.20 C ATOM 460 CG GLU A 28 -3.570 -4.790 7.938 1.00 1.45 C ATOM 461 CD GLU A 28 -4.299 -5.742 8.875 1.00 24.22 C ATOM 462 OE1 GLU A 28 -5.487 -5.504 9.176 1.00 62.51 O ATOM 463 OE2 GLU A 28 -3.676 -6.728 9.331 1.00 43.22 O ATOM 0 H GLU A 28 -3.754 -2.479 6.626 1.00 22.23 H new ATOM 0 HA GLU A 28 -1.662 -1.904 8.403 1.00 64.41 H new ATOM 0 HB2 GLU A 28 -2.310 -4.033 9.490 1.00 45.20 H new ATOM 0 HB3 GLU A 28 -3.690 -3.016 9.125 1.00 45.20 H new ATOM 0 HG2 GLU A 28 -4.275 -4.396 7.206 1.00 1.45 H new ATOM 0 HG3 GLU A 28 -2.810 -5.342 7.384 1.00 1.45 H new ATOM 470 N GLN A 29 -0.846 -4.056 6.085 1.00 34.14 N ATOM 471 CA GLN A 29 0.315 -4.721 5.468 1.00 74.44 C ATOM 472 C GLN A 29 1.082 -3.767 4.534 1.00 10.32 C ATOM 473 O GLN A 29 2.276 -3.943 4.302 1.00 53.50 O ATOM 474 CB GLN A 29 -0.100 -5.997 4.699 1.00 33.31 C ATOM 475 CG GLN A 29 -1.123 -5.786 3.577 1.00 23.13 C ATOM 476 CD GLN A 29 -2.562 -5.811 4.062 1.00 62.22 C ATOM 477 OE1 GLN A 29 -2.856 -5.431 5.181 1.00 14.43 O ATOM 478 NE2 GLN A 29 -3.471 -6.264 3.224 1.00 62.02 N ATOM 0 H GLN A 29 -1.685 -4.051 5.505 1.00 34.14 H new ATOM 0 HA GLN A 29 0.978 -5.013 6.282 1.00 74.44 H new ATOM 0 HB2 GLN A 29 0.794 -6.450 4.271 1.00 33.31 H new ATOM 0 HB3 GLN A 29 -0.510 -6.713 5.411 1.00 33.31 H new ATOM 0 HG2 GLN A 29 -0.927 -4.830 3.092 1.00 23.13 H new ATOM 0 HG3 GLN A 29 -0.988 -6.560 2.822 1.00 23.13 H new ATOM 0 HE21 GLN A 29 -3.196 -6.576 2.293 1.00 62.02 H new ATOM 0 HE22 GLN A 29 -4.450 -6.303 3.506 1.00 62.02 H new ATOM 487 N LEU A 30 0.393 -2.757 3.996 1.00 70.21 N ATOM 488 CA LEU A 30 1.037 -1.757 3.128 1.00 21.53 C ATOM 489 C LEU A 30 1.855 -0.732 3.936 1.00 63.04 C ATOM 490 O LEU A 30 2.753 -0.082 3.398 1.00 50.40 O ATOM 491 CB LEU A 30 -0.010 -1.029 2.270 1.00 33.05 C ATOM 492 CG LEU A 30 -0.771 -1.911 1.265 1.00 34.24 C ATOM 493 CD1 LEU A 30 -1.743 -1.072 0.440 1.00 61.34 C ATOM 494 CD2 LEU A 30 0.199 -2.667 0.357 1.00 72.14 C ATOM 0 H LEU A 30 -0.605 -2.607 4.143 1.00 70.21 H new ATOM 0 HA LEU A 30 1.725 -2.296 2.477 1.00 21.53 H new ATOM 0 HB2 LEU A 30 -0.734 -0.557 2.934 1.00 33.05 H new ATOM 0 HB3 LEU A 30 0.488 -0.229 1.721 1.00 33.05 H new ATOM 0 HG LEU A 30 -1.347 -2.646 1.828 1.00 34.24 H new ATOM 0 HD11 LEU A 30 -2.271 -1.715 -0.265 1.00 61.34 H new ATOM 0 HD12 LEU A 30 -2.463 -0.592 1.103 1.00 61.34 H new ATOM 0 HD13 LEU A 30 -1.190 -0.309 -0.109 1.00 61.34 H new ATOM 0 HD21 LEU A 30 -0.364 -3.283 -0.344 1.00 72.14 H new ATOM 0 HD22 LEU A 30 0.810 -1.954 -0.196 1.00 72.14 H new ATOM 0 HD23 LEU A 30 0.843 -3.304 0.963 1.00 72.14 H new ATOM 506 N ARG A 31 1.549 -0.585 5.227 1.00 43.40 N ATOM 507 CA ARG A 31 2.332 0.302 6.104 1.00 33.40 C ATOM 508 C ARG A 31 2.738 -0.387 7.426 1.00 62.43 C ATOM 509 O ARG A 31 2.256 -0.034 8.503 1.00 14.55 O ATOM 510 CB ARG A 31 1.589 1.627 6.388 1.00 24.31 C ATOM 511 CG ARG A 31 0.201 1.479 7.020 1.00 62.14 C ATOM 512 CD ARG A 31 -0.288 2.805 7.597 1.00 61.24 C ATOM 513 NE ARG A 31 -1.605 2.703 8.226 1.00 51.21 N ATOM 514 CZ ARG A 31 -1.829 2.882 9.501 1.00 70.23 C ATOM 515 NH1 ARG A 31 -0.852 3.082 10.331 1.00 20.14 N ATOM 516 NH2 ARG A 31 -3.039 2.859 9.949 1.00 4.13 N ATOM 0 H ARG A 31 0.774 -1.061 5.689 1.00 43.40 H new ATOM 0 HA ARG A 31 3.248 0.535 5.561 1.00 33.40 H new ATOM 0 HB2 ARG A 31 2.207 2.236 7.048 1.00 24.31 H new ATOM 0 HB3 ARG A 31 1.487 2.175 5.451 1.00 24.31 H new ATOM 0 HG2 ARG A 31 -0.506 1.123 6.271 1.00 62.14 H new ATOM 0 HG3 ARG A 31 0.236 0.727 7.809 1.00 62.14 H new ATOM 0 HD2 ARG A 31 0.433 3.163 8.332 1.00 61.24 H new ATOM 0 HD3 ARG A 31 -0.328 3.549 6.801 1.00 61.24 H new ATOM 0 HE ARG A 31 -2.401 2.477 7.630 1.00 51.21 H new ATOM 0 HH11 ARG A 31 0.110 3.101 9.992 1.00 20.14 H new ATOM 0 HH12 ARG A 31 -1.046 3.220 11.323 1.00 20.14 H new ATOM 0 HH21 ARG A 31 -3.817 2.701 9.309 1.00 4.13 H new ATOM 0 HH22 ARG A 31 -3.217 2.998 10.944 1.00 4.13 H new ATOM 530 N PRO A 32 3.632 -1.398 7.359 1.00 53.44 N ATOM 531 CA PRO A 32 4.212 -2.032 8.549 1.00 1.44 C ATOM 532 C PRO A 32 5.534 -1.370 8.979 1.00 1.41 C ATOM 533 O PRO A 32 6.291 -1.922 9.780 1.00 44.23 O ATOM 534 CB PRO A 32 4.452 -3.456 8.056 1.00 31.43 C ATOM 535 CG PRO A 32 4.829 -3.288 6.617 1.00 3.25 C ATOM 536 CD PRO A 32 4.123 -2.042 6.123 1.00 14.41 C ATOM 0 HA PRO A 32 3.573 -1.959 9.429 1.00 1.44 H new ATOM 0 HB2 PRO A 32 5.246 -3.945 8.621 1.00 31.43 H new ATOM 0 HB3 PRO A 32 3.559 -4.071 8.164 1.00 31.43 H new ATOM 0 HG2 PRO A 32 5.909 -3.189 6.509 1.00 3.25 H new ATOM 0 HG3 PRO A 32 4.529 -4.159 6.034 1.00 3.25 H new ATOM 0 HD2 PRO A 32 4.802 -1.389 5.575 1.00 14.41 H new ATOM 0 HD3 PRO A 32 3.303 -2.288 5.448 1.00 14.41 H new ATOM 544 N LEU A 33 5.801 -0.184 8.433 1.00 42.12 N ATOM 545 CA LEU A 33 7.025 0.567 8.737 1.00 53.51 C ATOM 546 C LEU A 33 7.099 0.936 10.232 1.00 52.32 C ATOM 547 O LEU A 33 6.084 1.286 10.840 1.00 71.14 O ATOM 548 CB LEU A 33 7.107 1.841 7.870 1.00 31.23 C ATOM 549 CG LEU A 33 7.383 1.621 6.363 1.00 63.22 C ATOM 550 CD1 LEU A 33 6.237 0.879 5.678 1.00 24.31 C ATOM 551 CD2 LEU A 33 7.645 2.954 5.662 1.00 32.43 C ATOM 0 H LEU A 33 5.181 0.283 7.771 1.00 42.12 H new ATOM 0 HA LEU A 33 7.875 -0.075 8.504 1.00 53.51 H new ATOM 0 HB2 LEU A 33 6.169 2.386 7.971 1.00 31.23 H new ATOM 0 HB3 LEU A 33 7.892 2.481 8.273 1.00 31.23 H new ATOM 0 HG LEU A 33 8.275 0.999 6.285 1.00 63.22 H new ATOM 0 HD11 LEU A 33 6.470 0.745 4.622 1.00 24.31 H new ATOM 0 HD12 LEU A 33 6.103 -0.096 6.147 1.00 24.31 H new ATOM 0 HD13 LEU A 33 5.319 1.458 5.776 1.00 24.31 H new ATOM 0 HD21 LEU A 33 7.837 2.777 4.604 1.00 32.43 H new ATOM 0 HD22 LEU A 33 6.773 3.599 5.770 1.00 32.43 H new ATOM 0 HD23 LEU A 33 8.512 3.437 6.112 1.00 32.43 H new ATOM 563 N PRO A 34 8.306 0.872 10.839 1.00 0.41 N ATOM 564 CA PRO A 34 8.497 1.130 12.279 1.00 72.45 C ATOM 565 C PRO A 34 7.870 2.457 12.741 1.00 30.15 C ATOM 566 O PRO A 34 7.039 2.481 13.649 1.00 34.02 O ATOM 567 CB PRO A 34 10.033 1.154 12.447 1.00 52.13 C ATOM 568 CG PRO A 34 10.586 1.227 11.056 1.00 14.22 C ATOM 569 CD PRO A 34 9.580 0.541 10.178 1.00 41.55 C ATOM 0 HA PRO A 34 8.005 0.373 12.890 1.00 72.45 H new ATOM 0 HB2 PRO A 34 10.350 2.011 13.041 1.00 52.13 H new ATOM 0 HB3 PRO A 34 10.385 0.261 12.963 1.00 52.13 H new ATOM 0 HG2 PRO A 34 10.732 2.262 10.748 1.00 14.22 H new ATOM 0 HG3 PRO A 34 11.557 0.736 10.995 1.00 14.22 H new ATOM 0 HD2 PRO A 34 9.615 0.912 9.154 1.00 41.55 H new ATOM 0 HD3 PRO A 34 9.747 -0.535 10.133 1.00 41.55 H new ATOM 577 N ALA A 35 8.267 3.557 12.106 1.00 21.34 N ATOM 578 CA ALA A 35 7.706 4.874 12.417 1.00 55.50 C ATOM 579 C ALA A 35 7.908 5.852 11.250 1.00 24.40 C ATOM 580 O ALA A 35 8.669 6.811 11.351 1.00 22.13 O ATOM 581 CB ALA A 35 8.325 5.426 13.701 1.00 15.21 C ATOM 0 H ALA A 35 8.975 3.565 11.372 1.00 21.34 H new ATOM 0 HA ALA A 35 6.633 4.759 12.571 1.00 55.50 H new ATOM 0 HB1 ALA A 35 7.898 6.405 13.919 1.00 15.21 H new ATOM 0 HB2 ALA A 35 8.115 4.747 14.527 1.00 15.21 H new ATOM 0 HB3 ALA A 35 9.403 5.521 13.574 1.00 15.21 H new ATOM 587 N HIS A 36 7.242 5.586 10.124 1.00 51.23 N ATOM 588 CA HIS A 36 7.361 6.437 8.930 1.00 43.22 C ATOM 589 C HIS A 36 5.976 6.781 8.351 1.00 74.45 C ATOM 590 O HIS A 36 4.966 6.202 8.755 1.00 35.21 O ATOM 591 CB HIS A 36 8.241 5.751 7.868 1.00 61.35 C ATOM 592 CG HIS A 36 9.635 5.445 8.350 1.00 74.34 C ATOM 593 ND1 HIS A 36 10.308 4.273 8.058 1.00 50.33 N ATOM 594 CD2 HIS A 36 10.481 6.166 9.126 1.00 61.41 C ATOM 595 CE1 HIS A 36 11.493 4.289 8.639 1.00 23.35 C ATOM 596 NE2 HIS A 36 11.620 5.421 9.291 1.00 65.33 N ATOM 0 H HIS A 36 6.615 4.790 10.011 1.00 51.23 H new ATOM 0 HA HIS A 36 7.838 7.371 9.226 1.00 43.22 H new ATOM 0 HB2 HIS A 36 7.762 4.824 7.554 1.00 61.35 H new ATOM 0 HB3 HIS A 36 8.302 6.392 6.988 1.00 61.35 H new ATOM 0 HD1 HIS A 36 9.945 3.513 7.482 1.00 50.33 H new ATOM 0 HD2 HIS A 36 10.293 7.146 9.538 1.00 61.41 H new ATOM 0 HE1 HIS A 36 12.233 3.504 8.587 1.00 23.35 H new ATOM 605 N ASP A 37 5.943 7.716 7.401 1.00 52.35 N ATOM 606 CA ASP A 37 4.679 8.234 6.856 1.00 41.12 C ATOM 607 C ASP A 37 3.981 7.216 5.929 1.00 4.21 C ATOM 608 O ASP A 37 4.557 6.195 5.551 1.00 50.51 O ATOM 609 CB ASP A 37 4.944 9.550 6.106 1.00 14.11 C ATOM 610 CG ASP A 37 3.666 10.285 5.727 1.00 45.24 C ATOM 611 OD1 ASP A 37 3.000 10.827 6.630 1.00 60.42 O ATOM 612 OD2 ASP A 37 3.318 10.332 4.529 1.00 30.23 O ATOM 0 H ASP A 37 6.777 8.134 6.989 1.00 52.35 H new ATOM 0 HA ASP A 37 4.004 8.416 7.692 1.00 41.12 H new ATOM 0 HB2 ASP A 37 5.559 10.199 6.729 1.00 14.11 H new ATOM 0 HB3 ASP A 37 5.517 9.338 5.203 1.00 14.11 H new ATOM 617 N TYR A 38 2.734 7.511 5.573 1.00 31.33 N ATOM 618 CA TYR A 38 1.947 6.653 4.682 1.00 34.23 C ATOM 619 C TYR A 38 1.065 7.496 3.746 1.00 40.45 C ATOM 620 O TYR A 38 0.604 8.584 4.114 1.00 61.12 O ATOM 621 CB TYR A 38 1.076 5.687 5.501 1.00 74.01 C ATOM 622 CG TYR A 38 0.136 6.384 6.471 1.00 11.24 C ATOM 623 CD1 TYR A 38 0.574 6.778 7.732 1.00 52.25 C ATOM 624 CD2 TYR A 38 -1.184 6.659 6.122 1.00 54.11 C ATOM 625 CE1 TYR A 38 -0.271 7.420 8.615 1.00 5.14 C ATOM 626 CE2 TYR A 38 -2.035 7.305 7.000 1.00 15.32 C ATOM 627 CZ TYR A 38 -1.574 7.682 8.245 1.00 12.11 C ATOM 628 OH TYR A 38 -2.413 8.332 9.121 1.00 41.41 O ATOM 0 H TYR A 38 2.240 8.345 5.890 1.00 31.33 H new ATOM 0 HA TYR A 38 2.640 6.073 4.072 1.00 34.23 H new ATOM 0 HB2 TYR A 38 0.489 5.073 4.818 1.00 74.01 H new ATOM 0 HB3 TYR A 38 1.724 5.012 6.059 1.00 74.01 H new ATOM 0 HD1 TYR A 38 1.594 6.578 8.025 1.00 52.25 H new ATOM 0 HD2 TYR A 38 -1.549 6.363 5.150 1.00 54.11 H new ATOM 0 HE1 TYR A 38 0.086 7.716 9.590 1.00 5.14 H new ATOM 0 HE2 TYR A 38 -3.055 7.513 6.713 1.00 15.32 H new ATOM 0 HH TYR A 38 -3.295 8.441 8.709 1.00 41.41 H new ATOM 638 N PHE A 39 0.821 6.986 2.541 1.00 14.44 N ATOM 639 CA PHE A 39 0.005 7.690 1.544 1.00 21.04 C ATOM 640 C PHE A 39 -1.463 7.213 1.608 1.00 22.12 C ATOM 641 O PHE A 39 -1.856 6.536 2.558 1.00 43.10 O ATOM 642 CB PHE A 39 0.606 7.461 0.143 1.00 73.34 C ATOM 643 CG PHE A 39 0.609 8.690 -0.738 1.00 14.42 C ATOM 644 CD1 PHE A 39 1.623 9.632 -0.630 1.00 73.13 C ATOM 645 CD2 PHE A 39 -0.397 8.903 -1.668 1.00 71.20 C ATOM 646 CE1 PHE A 39 1.632 10.756 -1.431 1.00 20.43 C ATOM 647 CE2 PHE A 39 -0.392 10.026 -2.472 1.00 12.54 C ATOM 648 CZ PHE A 39 0.623 10.954 -2.353 1.00 42.51 C ATOM 0 H PHE A 39 1.177 6.083 2.227 1.00 14.44 H new ATOM 0 HA PHE A 39 0.010 8.759 1.759 1.00 21.04 H new ATOM 0 HB2 PHE A 39 1.630 7.104 0.253 1.00 73.34 H new ATOM 0 HB3 PHE A 39 0.045 6.671 -0.356 1.00 73.34 H new ATOM 0 HD1 PHE A 39 2.415 9.484 0.090 1.00 73.13 H new ATOM 0 HD2 PHE A 39 -1.195 8.182 -1.765 1.00 71.20 H new ATOM 0 HE1 PHE A 39 2.428 11.480 -1.337 1.00 20.43 H new ATOM 0 HE2 PHE A 39 -1.181 10.178 -3.193 1.00 12.54 H new ATOM 0 HZ PHE A 39 0.628 11.833 -2.980 1.00 42.51 H new ATOM 658 N GLU A 40 -2.270 7.576 0.613 1.00 51.41 N ATOM 659 CA GLU A 40 -3.690 7.194 0.592 1.00 34.22 C ATOM 660 C GLU A 40 -3.895 5.720 0.194 1.00 23.35 C ATOM 661 O GLU A 40 -3.141 5.161 -0.613 1.00 31.43 O ATOM 662 CB GLU A 40 -4.474 8.109 -0.364 1.00 72.01 C ATOM 663 CG GLU A 40 -3.964 8.095 -1.804 1.00 30.32 C ATOM 664 CD GLU A 40 -4.790 8.969 -2.735 1.00 31.34 C ATOM 665 OE1 GLU A 40 -4.877 10.193 -2.489 1.00 13.43 O ATOM 666 OE2 GLU A 40 -5.350 8.447 -3.720 1.00 64.10 O ATOM 0 H GLU A 40 -1.971 8.132 -0.188 1.00 51.41 H new ATOM 0 HA GLU A 40 -4.069 7.314 1.607 1.00 34.22 H new ATOM 0 HB2 GLU A 40 -5.522 7.809 -0.359 1.00 72.01 H new ATOM 0 HB3 GLU A 40 -4.433 9.131 0.014 1.00 72.01 H new ATOM 0 HG2 GLU A 40 -2.928 8.434 -1.820 1.00 30.32 H new ATOM 0 HG3 GLU A 40 -3.970 7.070 -2.176 1.00 30.32 H new ATOM 673 N PHE A 41 -4.921 5.095 0.776 1.00 53.42 N ATOM 674 CA PHE A 41 -5.279 3.705 0.468 1.00 22.32 C ATOM 675 C PHE A 41 -6.737 3.616 -0.011 1.00 14.31 C ATOM 676 O PHE A 41 -7.620 4.285 0.532 1.00 42.40 O ATOM 677 CB PHE A 41 -5.077 2.818 1.707 1.00 61.44 C ATOM 678 CG PHE A 41 -3.701 2.937 2.317 1.00 51.52 C ATOM 679 CD1 PHE A 41 -2.614 2.283 1.751 1.00 45.41 C ATOM 680 CD2 PHE A 41 -3.494 3.706 3.453 1.00 63.21 C ATOM 681 CE1 PHE A 41 -1.353 2.397 2.307 1.00 73.44 C ATOM 682 CE2 PHE A 41 -2.235 3.822 4.012 1.00 11.20 C ATOM 683 CZ PHE A 41 -1.164 3.166 3.437 1.00 62.24 C ATOM 0 H PHE A 41 -5.525 5.534 1.471 1.00 53.42 H new ATOM 0 HA PHE A 41 -4.628 3.351 -0.332 1.00 22.32 H new ATOM 0 HB2 PHE A 41 -5.822 3.081 2.458 1.00 61.44 H new ATOM 0 HB3 PHE A 41 -5.255 1.778 1.432 1.00 61.44 H new ATOM 0 HD1 PHE A 41 -2.755 1.679 0.867 1.00 45.41 H new ATOM 0 HD2 PHE A 41 -4.328 4.221 3.907 1.00 63.21 H new ATOM 0 HE1 PHE A 41 -0.516 1.884 1.857 1.00 73.44 H new ATOM 0 HE2 PHE A 41 -2.089 4.424 4.896 1.00 11.20 H new ATOM 0 HZ PHE A 41 -0.179 3.255 3.872 1.00 62.24 H new ATOM 693 N PHE A 42 -6.994 2.787 -1.023 1.00 70.42 N ATOM 694 CA PHE A 42 -8.340 2.688 -1.605 1.00 41.21 C ATOM 695 C PHE A 42 -9.313 1.927 -0.687 1.00 4.23 C ATOM 696 O PHE A 42 -8.946 0.949 -0.034 1.00 13.44 O ATOM 697 CB PHE A 42 -8.295 2.034 -2.998 1.00 32.10 C ATOM 698 CG PHE A 42 -7.894 0.572 -3.018 1.00 44.41 C ATOM 699 CD1 PHE A 42 -6.561 0.202 -3.135 1.00 60.52 C ATOM 700 CD2 PHE A 42 -8.856 -0.432 -2.947 1.00 30.51 C ATOM 701 CE1 PHE A 42 -6.197 -1.133 -3.174 1.00 31.21 C ATOM 702 CE2 PHE A 42 -8.494 -1.765 -2.989 1.00 11.31 C ATOM 703 CZ PHE A 42 -7.164 -2.115 -3.103 1.00 10.30 C ATOM 0 H PHE A 42 -6.299 2.179 -1.456 1.00 70.42 H new ATOM 0 HA PHE A 42 -8.714 3.706 -1.710 1.00 41.21 H new ATOM 0 HB2 PHE A 42 -9.279 2.130 -3.457 1.00 32.10 H new ATOM 0 HB3 PHE A 42 -7.597 2.593 -3.621 1.00 32.10 H new ATOM 0 HD1 PHE A 42 -5.799 0.965 -3.196 1.00 60.52 H new ATOM 0 HD2 PHE A 42 -9.899 -0.166 -2.858 1.00 30.51 H new ATOM 0 HE1 PHE A 42 -5.156 -1.406 -3.260 1.00 31.21 H new ATOM 0 HE2 PHE A 42 -9.252 -2.533 -2.933 1.00 11.31 H new ATOM 0 HZ PHE A 42 -6.880 -3.156 -3.137 1.00 10.30 H new ATOM 713 N ALA A 43 -10.558 2.394 -0.640 1.00 14.35 N ATOM 714 CA ALA A 43 -11.602 1.746 0.159 1.00 0.21 C ATOM 715 C ALA A 43 -12.633 1.042 -0.737 1.00 72.44 C ATOM 716 O ALA A 43 -13.586 1.663 -1.216 1.00 75.15 O ATOM 717 CB ALA A 43 -12.288 2.768 1.062 1.00 62.20 C ATOM 0 H ALA A 43 -10.872 3.222 -1.147 1.00 14.35 H new ATOM 0 HA ALA A 43 -11.128 0.987 0.782 1.00 0.21 H new ATOM 0 HB1 ALA A 43 -13.061 2.273 1.650 1.00 62.20 H new ATOM 0 HB2 ALA A 43 -11.552 3.214 1.732 1.00 62.20 H new ATOM 0 HB3 ALA A 43 -12.741 3.548 0.450 1.00 62.20 H new ATOM 723 N ALA A 44 -12.423 -0.250 -0.974 1.00 11.54 N ATOM 724 CA ALA A 44 -13.326 -1.048 -1.810 1.00 22.51 C ATOM 725 C ALA A 44 -13.913 -2.231 -1.028 1.00 10.13 C ATOM 726 O ALA A 44 -13.621 -2.412 0.156 1.00 11.33 O ATOM 727 CB ALA A 44 -12.588 -1.543 -3.051 1.00 14.43 C ATOM 0 H ALA A 44 -11.632 -0.772 -0.598 1.00 11.54 H new ATOM 0 HA ALA A 44 -14.155 -0.411 -2.118 1.00 22.51 H new ATOM 0 HB1 ALA A 44 -13.266 -2.135 -3.666 1.00 14.43 H new ATOM 0 HB2 ALA A 44 -12.229 -0.689 -3.625 1.00 14.43 H new ATOM 0 HB3 ALA A 44 -11.741 -2.159 -2.749 1.00 14.43 H new ATOM 733 N ASP A 45 -14.744 -3.024 -1.695 1.00 34.31 N ATOM 734 CA ASP A 45 -15.353 -4.206 -1.081 1.00 24.41 C ATOM 735 C ASP A 45 -15.229 -5.423 -2.010 1.00 70.10 C ATOM 736 O ASP A 45 -15.586 -5.353 -3.190 1.00 2.31 O ATOM 737 CB ASP A 45 -16.827 -3.931 -0.759 1.00 44.15 C ATOM 738 CG ASP A 45 -17.502 -5.107 -0.073 1.00 45.31 C ATOM 739 OD1 ASP A 45 -17.104 -5.449 1.061 1.00 23.41 O ATOM 740 OD2 ASP A 45 -18.432 -5.700 -0.662 1.00 12.15 O ATOM 0 H ASP A 45 -15.015 -2.871 -2.667 1.00 34.31 H new ATOM 0 HA ASP A 45 -14.824 -4.427 -0.154 1.00 24.41 H new ATOM 0 HB2 ASP A 45 -16.898 -3.052 -0.119 1.00 44.15 H new ATOM 0 HB3 ASP A 45 -17.360 -3.698 -1.681 1.00 44.15 H new ATOM 745 N LEU A 46 -14.714 -6.531 -1.477 1.00 53.41 N ATOM 746 CA LEU A 46 -14.534 -7.757 -2.265 1.00 52.11 C ATOM 747 C LEU A 46 -15.881 -8.396 -2.647 1.00 3.31 C ATOM 748 O LEU A 46 -16.373 -9.316 -1.989 1.00 44.30 O ATOM 749 CB LEU A 46 -13.601 -8.758 -1.539 1.00 32.13 C ATOM 750 CG LEU A 46 -13.601 -8.713 0.007 1.00 13.40 C ATOM 751 CD1 LEU A 46 -14.928 -9.196 0.588 1.00 43.15 C ATOM 752 CD2 LEU A 46 -12.441 -9.533 0.569 1.00 22.44 C ATOM 0 H LEU A 46 -14.414 -6.608 -0.505 1.00 53.41 H new ATOM 0 HA LEU A 46 -14.046 -7.478 -3.199 1.00 52.11 H new ATOM 0 HB2 LEU A 46 -13.876 -9.766 -1.850 1.00 32.13 H new ATOM 0 HB3 LEU A 46 -12.582 -8.585 -1.884 1.00 32.13 H new ATOM 0 HG LEU A 46 -13.472 -7.672 0.303 1.00 13.40 H new ATOM 0 HD11 LEU A 46 -14.887 -9.149 1.676 1.00 43.15 H new ATOM 0 HD12 LEU A 46 -15.736 -8.560 0.227 1.00 43.15 H new ATOM 0 HD13 LEU A 46 -15.109 -10.225 0.276 1.00 43.15 H new ATOM 0 HD21 LEU A 46 -12.458 -9.489 1.658 1.00 22.44 H new ATOM 0 HD22 LEU A 46 -12.538 -10.570 0.246 1.00 22.44 H new ATOM 0 HD23 LEU A 46 -11.498 -9.126 0.204 1.00 22.44 H new ATOM 866 N TYR A 53 -12.227 -0.431 -10.127 1.00 65.12 N ATOM 867 CA TYR A 53 -10.775 -0.229 -10.227 1.00 33.14 C ATOM 868 C TYR A 53 -10.285 0.889 -9.291 1.00 1.13 C ATOM 869 O TYR A 53 -10.702 2.043 -9.407 1.00 72.41 O ATOM 870 CB TYR A 53 -10.385 0.077 -11.678 1.00 72.13 C ATOM 871 CG TYR A 53 -10.832 -1.000 -12.651 1.00 12.02 C ATOM 872 CD1 TYR A 53 -10.336 -2.296 -12.550 1.00 4.40 C ATOM 873 CD2 TYR A 53 -11.754 -0.728 -13.659 1.00 23.43 C ATOM 874 CE1 TYR A 53 -10.747 -3.288 -13.418 1.00 14.12 C ATOM 875 CE2 TYR A 53 -12.167 -1.715 -14.534 1.00 73.03 C ATOM 876 CZ TYR A 53 -11.660 -2.992 -14.409 1.00 25.14 C ATOM 877 OH TYR A 53 -12.077 -3.982 -15.272 1.00 40.11 O ATOM 0 HA TYR A 53 -10.289 -1.152 -9.911 1.00 33.14 H new ATOM 0 HB2 TYR A 53 -10.823 1.030 -11.973 1.00 72.13 H new ATOM 0 HB3 TYR A 53 -9.303 0.190 -11.742 1.00 72.13 H new ATOM 0 HD1 TYR A 53 -9.617 -2.530 -11.779 1.00 4.40 H new ATOM 0 HD2 TYR A 53 -12.153 0.271 -13.759 1.00 23.43 H new ATOM 0 HE1 TYR A 53 -10.356 -4.290 -13.322 1.00 14.12 H new ATOM 0 HE2 TYR A 53 -12.882 -1.488 -15.311 1.00 73.03 H new ATOM 0 HH TYR A 53 -12.721 -3.610 -15.910 1.00 40.11 H new ATOM 887 N SER A 54 -9.403 0.530 -8.358 1.00 42.30 N ATOM 888 CA SER A 54 -8.870 1.479 -7.368 1.00 70.42 C ATOM 889 C SER A 54 -7.425 1.122 -6.992 1.00 64.12 C ATOM 890 O SER A 54 -7.011 -0.032 -7.114 1.00 20.54 O ATOM 891 CB SER A 54 -9.747 1.485 -6.108 1.00 72.44 C ATOM 892 OG SER A 54 -11.090 1.849 -6.400 1.00 11.02 O ATOM 0 H SER A 54 -9.037 -0.418 -8.263 1.00 42.30 H new ATOM 0 HA SER A 54 -8.879 2.473 -7.815 1.00 70.42 H new ATOM 0 HB2 SER A 54 -9.730 0.497 -5.649 1.00 72.44 H new ATOM 0 HB3 SER A 54 -9.332 2.182 -5.380 1.00 72.44 H new ATOM 0 HG SER A 54 -11.618 1.840 -5.575 1.00 11.02 H new ATOM 898 N ARG A 55 -6.665 2.112 -6.526 1.00 22.44 N ATOM 899 CA ARG A 55 -5.239 1.924 -6.205 1.00 2.30 C ATOM 900 C ARG A 55 -4.832 2.640 -4.907 1.00 43.22 C ATOM 901 O ARG A 55 -5.566 3.479 -4.382 1.00 32.23 O ATOM 902 CB ARG A 55 -4.377 2.416 -7.379 1.00 61.22 C ATOM 903 CG ARG A 55 -4.870 3.728 -7.986 1.00 13.34 C ATOM 904 CD ARG A 55 -3.981 4.213 -9.127 1.00 41.34 C ATOM 905 NE ARG A 55 -4.653 5.230 -9.935 1.00 75.20 N ATOM 906 CZ ARG A 55 -4.664 6.508 -9.661 1.00 42.52 C ATOM 907 NH1 ARG A 55 -3.996 6.982 -8.658 1.00 23.23 N ATOM 908 NH2 ARG A 55 -5.335 7.322 -10.405 1.00 34.04 N ATOM 0 H ARG A 55 -7.009 3.058 -6.360 1.00 22.44 H new ATOM 0 HA ARG A 55 -5.073 0.859 -6.045 1.00 2.30 H new ATOM 0 HB2 ARG A 55 -3.350 2.546 -7.037 1.00 61.22 H new ATOM 0 HB3 ARG A 55 -4.360 1.650 -8.154 1.00 61.22 H new ATOM 0 HG2 ARG A 55 -5.888 3.595 -8.354 1.00 13.34 H new ATOM 0 HG3 ARG A 55 -4.909 4.492 -7.210 1.00 13.34 H new ATOM 0 HD2 ARG A 55 -3.056 4.622 -8.720 1.00 41.34 H new ATOM 0 HD3 ARG A 55 -3.705 3.369 -9.759 1.00 41.34 H new ATOM 0 HE ARG A 55 -5.148 4.920 -10.771 1.00 75.20 H new ATOM 0 HH11 ARG A 55 -3.450 6.355 -8.067 1.00 23.23 H new ATOM 0 HH12 ARG A 55 -4.016 7.982 -8.459 1.00 23.23 H new ATOM 0 HH21 ARG A 55 -5.857 6.968 -11.207 1.00 34.04 H new ATOM 0 HH22 ARG A 55 -5.344 8.319 -10.191 1.00 34.04 H new ATOM 922 N ALA A 56 -3.651 2.292 -4.395 1.00 72.20 N ATOM 923 CA ALA A 56 -3.118 2.882 -3.162 1.00 12.34 C ATOM 924 C ALA A 56 -1.621 3.195 -3.311 1.00 4.13 C ATOM 925 O ALA A 56 -1.001 2.810 -4.303 1.00 10.14 O ATOM 926 CB ALA A 56 -3.350 1.937 -1.988 1.00 44.31 C ATOM 0 H ALA A 56 -3.038 1.596 -4.820 1.00 72.20 H new ATOM 0 HA ALA A 56 -3.643 3.818 -2.970 1.00 12.34 H new ATOM 0 HB1 ALA A 56 -2.951 2.383 -1.077 1.00 44.31 H new ATOM 0 HB2 ALA A 56 -4.419 1.762 -1.868 1.00 44.31 H new ATOM 0 HB3 ALA A 56 -2.846 0.990 -2.178 1.00 44.31 H new ATOM 932 N TYR A 57 -1.041 3.896 -2.336 1.00 4.22 N ATOM 933 CA TYR A 57 0.392 4.234 -2.385 1.00 73.42 C ATOM 934 C TYR A 57 1.061 4.122 -1.006 1.00 52.34 C ATOM 935 O TYR A 57 0.397 4.114 0.029 1.00 24.42 O ATOM 936 CB TYR A 57 0.599 5.658 -2.921 1.00 52.41 C ATOM 937 CG TYR A 57 0.031 5.900 -4.306 1.00 52.45 C ATOM 938 CD1 TYR A 57 0.747 5.547 -5.444 1.00 15.23 C ATOM 939 CD2 TYR A 57 -1.218 6.491 -4.471 1.00 42.23 C ATOM 940 CE1 TYR A 57 0.234 5.774 -6.707 1.00 33.30 C ATOM 941 CE2 TYR A 57 -1.734 6.722 -5.728 1.00 71.51 C ATOM 942 CZ TYR A 57 -1.005 6.363 -6.842 1.00 32.23 C ATOM 943 OH TYR A 57 -1.518 6.600 -8.096 1.00 62.21 O ATOM 0 H TYR A 57 -1.530 4.240 -1.510 1.00 4.22 H new ATOM 0 HA TYR A 57 0.857 3.512 -3.057 1.00 73.42 H new ATOM 0 HB2 TYR A 57 0.142 6.363 -2.227 1.00 52.41 H new ATOM 0 HB3 TYR A 57 1.667 5.874 -2.938 1.00 52.41 H new ATOM 0 HD1 TYR A 57 1.719 5.088 -5.340 1.00 15.23 H new ATOM 0 HD2 TYR A 57 -1.792 6.773 -3.601 1.00 42.23 H new ATOM 0 HE1 TYR A 57 0.800 5.492 -7.582 1.00 33.30 H new ATOM 0 HE2 TYR A 57 -2.705 7.182 -5.840 1.00 71.51 H new ATOM 0 HH TYR A 57 -1.180 5.925 -8.721 1.00 62.21 H new ATOM 953 N ILE A 58 2.393 4.057 -1.015 1.00 51.33 N ATOM 954 CA ILE A 58 3.200 4.037 0.213 1.00 25.11 C ATOM 955 C ILE A 58 4.181 5.226 0.211 1.00 30.53 C ATOM 956 O ILE A 58 4.492 5.770 -0.848 1.00 4.22 O ATOM 957 CB ILE A 58 3.996 2.706 0.333 1.00 40.22 C ATOM 958 CG1 ILE A 58 3.048 1.499 0.218 1.00 35.30 C ATOM 959 CG2 ILE A 58 4.776 2.648 1.650 1.00 24.22 C ATOM 960 CD1 ILE A 58 3.755 0.159 0.225 1.00 3.32 C ATOM 0 H ILE A 58 2.946 4.017 -1.871 1.00 51.33 H new ATOM 0 HA ILE A 58 2.527 4.116 1.067 1.00 25.11 H new ATOM 0 HB ILE A 58 4.713 2.667 -0.487 1.00 40.22 H new ATOM 0 HG12 ILE A 58 2.337 1.528 1.044 1.00 35.30 H new ATOM 0 HG13 ILE A 58 2.471 1.589 -0.702 1.00 35.30 H new ATOM 0 HG21 ILE A 58 5.323 1.707 1.708 1.00 24.22 H new ATOM 0 HG22 ILE A 58 5.479 3.480 1.693 1.00 24.22 H new ATOM 0 HG23 ILE A 58 4.082 2.716 2.487 1.00 24.22 H new ATOM 0 HD11 ILE A 58 3.019 -0.641 0.141 1.00 3.32 H new ATOM 0 HD12 ILE A 58 4.445 0.107 -0.617 1.00 3.32 H new ATOM 0 HD13 ILE A 58 4.310 0.045 1.156 1.00 3.32 H new ATOM 972 N ASN A 59 4.656 5.642 1.385 1.00 33.41 N ATOM 973 CA ASN A 59 5.607 6.757 1.468 1.00 15.42 C ATOM 974 C ASN A 59 6.760 6.458 2.441 1.00 33.24 C ATOM 975 O ASN A 59 6.644 6.661 3.650 1.00 61.01 O ATOM 976 CB ASN A 59 4.891 8.049 1.884 1.00 71.42 C ATOM 977 CG ASN A 59 5.817 9.254 1.865 1.00 71.21 C ATOM 978 OD1 ASN A 59 6.767 9.316 1.090 1.00 24.14 O ATOM 979 ND2 ASN A 59 5.553 10.218 2.721 1.00 14.10 N ATOM 0 H ASN A 59 4.403 5.231 2.284 1.00 33.41 H new ATOM 0 HA ASN A 59 6.035 6.889 0.474 1.00 15.42 H new ATOM 0 HB2 ASN A 59 4.051 8.228 1.213 1.00 71.42 H new ATOM 0 HB3 ASN A 59 4.478 7.927 2.885 1.00 71.42 H new ATOM 0 HD21 ASN A 59 6.146 11.047 2.754 1.00 14.10 H new ATOM 0 HD22 ASN A 59 4.756 10.136 3.352 1.00 14.10 H new ATOM 986 N PHE A 60 7.869 5.961 1.902 1.00 51.32 N ATOM 987 CA PHE A 60 9.086 5.745 2.690 1.00 3.32 C ATOM 988 C PHE A 60 9.776 7.077 3.016 1.00 11.21 C ATOM 989 O PHE A 60 9.442 8.114 2.448 1.00 41.31 O ATOM 990 CB PHE A 60 10.058 4.833 1.930 1.00 5.03 C ATOM 991 CG PHE A 60 9.661 3.380 1.942 1.00 52.03 C ATOM 992 CD1 PHE A 60 8.768 2.869 1.010 1.00 25.44 C ATOM 993 CD2 PHE A 60 10.187 2.529 2.897 1.00 10.41 C ATOM 994 CE1 PHE A 60 8.414 1.532 1.036 1.00 75.44 C ATOM 995 CE2 PHE A 60 9.838 1.198 2.928 1.00 71.21 C ATOM 996 CZ PHE A 60 8.949 0.696 1.997 1.00 11.24 C ATOM 0 H PHE A 60 7.954 5.698 0.920 1.00 51.32 H new ATOM 0 HA PHE A 60 8.798 5.265 3.625 1.00 3.32 H new ATOM 0 HB2 PHE A 60 10.128 5.173 0.897 1.00 5.03 H new ATOM 0 HB3 PHE A 60 11.052 4.932 2.366 1.00 5.03 H new ATOM 0 HD1 PHE A 60 8.346 3.520 0.259 1.00 25.44 H new ATOM 0 HD2 PHE A 60 10.881 2.914 3.629 1.00 10.41 H new ATOM 0 HE1 PHE A 60 7.720 1.142 0.306 1.00 75.44 H new ATOM 0 HE2 PHE A 60 10.259 0.546 3.680 1.00 71.21 H new ATOM 0 HZ PHE A 60 8.673 -0.348 2.020 1.00 11.24 H new ATOM 1006 N ARG A 61 10.734 7.053 3.947 1.00 40.24 N ATOM 1007 CA ARG A 61 11.524 8.255 4.261 1.00 13.31 C ATOM 1008 C ARG A 61 13.014 7.927 4.478 1.00 1.02 C ATOM 1009 O ARG A 61 13.776 8.765 4.967 1.00 24.44 O ATOM 1010 CB ARG A 61 10.962 8.976 5.500 1.00 74.24 C ATOM 1011 CG ARG A 61 9.488 9.366 5.385 1.00 10.41 C ATOM 1012 CD ARG A 61 9.094 10.439 6.396 1.00 54.22 C ATOM 1013 NE ARG A 61 9.383 10.058 7.779 1.00 50.12 N ATOM 1014 CZ ARG A 61 8.866 10.654 8.820 1.00 11.34 C ATOM 1015 NH1 ARG A 61 8.049 11.647 8.669 1.00 70.34 N ATOM 1016 NH2 ARG A 61 9.184 10.270 10.012 1.00 33.34 N ATOM 0 H ARG A 61 10.982 6.227 4.492 1.00 40.24 H new ATOM 0 HA ARG A 61 11.447 8.916 3.398 1.00 13.31 H new ATOM 0 HB2 ARG A 61 11.089 8.331 6.370 1.00 74.24 H new ATOM 0 HB3 ARG A 61 11.551 9.875 5.681 1.00 74.24 H new ATOM 0 HG2 ARG A 61 9.288 9.728 4.377 1.00 10.41 H new ATOM 0 HG3 ARG A 61 8.868 8.483 5.535 1.00 10.41 H new ATOM 0 HD2 ARG A 61 9.623 11.363 6.162 1.00 54.22 H new ATOM 0 HD3 ARG A 61 8.029 10.648 6.298 1.00 54.22 H new ATOM 0 HE ARG A 61 10.025 9.282 7.939 1.00 50.12 H new ATOM 0 HH11 ARG A 61 7.805 11.969 7.732 1.00 70.34 H new ATOM 0 HH12 ARG A 61 7.649 12.107 9.487 1.00 70.34 H new ATOM 0 HH21 ARG A 61 9.840 9.500 10.142 1.00 33.34 H new ATOM 0 HH22 ARG A 61 8.779 10.737 10.823 1.00 33.34 H new ATOM 1030 N ASN A 62 13.439 6.720 4.102 1.00 72.31 N ATOM 1031 CA ASN A 62 14.840 6.316 4.269 1.00 33.44 C ATOM 1032 C ASN A 62 15.235 5.210 3.274 1.00 51.41 C ATOM 1033 O ASN A 62 14.554 4.193 3.174 1.00 0.14 O ATOM 1034 CB ASN A 62 15.077 5.836 5.706 1.00 72.44 C ATOM 1035 CG ASN A 62 16.555 5.695 6.025 1.00 62.45 C ATOM 1036 OD1 ASN A 62 17.053 4.475 6.038 1.00 53.41 O flip ATOM 1037 ND2 ASN A 62 17.241 6.676 6.291 1.00 23.11 N flip ATOM 0 H ASN A 62 12.840 6.008 3.683 1.00 72.31 H new ATOM 0 HA ASN A 62 15.465 7.186 4.066 1.00 33.44 H new ATOM 0 HB2 ASN A 62 14.622 6.540 6.403 1.00 72.44 H new ATOM 0 HB3 ASN A 62 14.582 4.876 5.854 1.00 72.44 H new ATOM 0 HD21 ASN A 62 16.827 7.608 6.273 1.00 23.11 H new ATOM 0 HD22 ASN A 62 18.226 6.560 6.531 1.00 23.11 H new ATOM 1044 N PRO A 63 16.353 5.389 2.537 1.00 1.35 N ATOM 1045 CA PRO A 63 16.835 4.389 1.562 1.00 74.13 C ATOM 1046 C PRO A 63 17.013 2.992 2.180 1.00 62.22 C ATOM 1047 O PRO A 63 16.604 1.984 1.598 1.00 32.22 O ATOM 1048 CB PRO A 63 18.191 4.955 1.112 1.00 73.21 C ATOM 1049 CG PRO A 63 18.095 6.421 1.367 1.00 64.44 C ATOM 1050 CD PRO A 63 17.229 6.574 2.587 1.00 1.31 C ATOM 0 HA PRO A 63 16.124 4.244 0.748 1.00 74.13 H new ATOM 0 HB2 PRO A 63 19.012 4.509 1.673 1.00 73.21 H new ATOM 0 HB3 PRO A 63 18.376 4.748 0.058 1.00 73.21 H new ATOM 0 HG2 PRO A 63 19.082 6.854 1.532 1.00 64.44 H new ATOM 0 HG3 PRO A 63 17.659 6.938 0.512 1.00 64.44 H new ATOM 0 HD2 PRO A 63 17.823 6.596 3.501 1.00 1.31 H new ATOM 0 HD3 PRO A 63 16.654 7.500 2.558 1.00 1.31 H new ATOM 1058 N ASP A 64 17.610 2.948 3.370 1.00 15.41 N ATOM 1059 CA ASP A 64 17.834 1.683 4.084 1.00 4.31 C ATOM 1060 C ASP A 64 16.502 1.053 4.533 1.00 51.21 C ATOM 1061 O ASP A 64 16.415 -0.154 4.759 1.00 40.24 O ATOM 1062 CB ASP A 64 18.739 1.928 5.292 1.00 21.15 C ATOM 1063 CG ASP A 64 19.929 2.796 4.934 1.00 51.01 C ATOM 1064 OD1 ASP A 64 20.847 2.303 4.247 1.00 4.14 O ATOM 1065 OD2 ASP A 64 19.937 3.987 5.312 1.00 21.44 O ATOM 0 H ASP A 64 17.949 3.773 3.864 1.00 15.41 H new ATOM 0 HA ASP A 64 18.320 0.984 3.403 1.00 4.31 H new ATOM 0 HB2 ASP A 64 18.165 2.407 6.086 1.00 21.15 H new ATOM 0 HB3 ASP A 64 19.090 0.973 5.684 1.00 21.15 H new ATOM 1070 N ASP A 65 15.473 1.886 4.649 1.00 22.24 N ATOM 1071 CA ASP A 65 14.128 1.429 5.008 1.00 21.23 C ATOM 1072 C ASP A 65 13.425 0.873 3.756 1.00 33.11 C ATOM 1073 O ASP A 65 12.718 -0.134 3.810 1.00 61.21 O ATOM 1074 CB ASP A 65 13.346 2.603 5.618 1.00 72.33 C ATOM 1075 CG ASP A 65 12.003 2.205 6.210 1.00 3.11 C ATOM 1076 OD1 ASP A 65 11.972 1.307 7.070 1.00 45.10 O ATOM 1077 OD2 ASP A 65 10.984 2.842 5.864 1.00 24.42 O ATOM 0 H ASP A 65 15.543 2.892 4.498 1.00 22.24 H new ATOM 0 HA ASP A 65 14.181 0.630 5.747 1.00 21.23 H new ATOM 0 HB2 ASP A 65 13.953 3.066 6.396 1.00 72.33 H new ATOM 0 HB3 ASP A 65 13.184 3.358 4.849 1.00 72.33 H new ATOM 1082 N ILE A 66 13.667 1.534 2.617 1.00 54.41 N ATOM 1083 CA ILE A 66 13.162 1.078 1.319 1.00 32.22 C ATOM 1084 C ILE A 66 13.629 -0.351 1.009 1.00 11.35 C ATOM 1085 O ILE A 66 12.814 -1.249 0.817 1.00 4.12 O ATOM 1086 CB ILE A 66 13.618 2.017 0.170 1.00 73.22 C ATOM 1087 CG1 ILE A 66 13.137 3.455 0.426 1.00 3.03 C ATOM 1088 CG2 ILE A 66 13.108 1.510 -1.179 1.00 54.41 C ATOM 1089 CD1 ILE A 66 13.606 4.457 -0.612 1.00 21.02 C ATOM 0 H ILE A 66 14.214 2.393 2.570 1.00 54.41 H new ATOM 0 HA ILE A 66 12.074 1.095 1.384 1.00 32.22 H new ATOM 0 HB ILE A 66 14.708 2.019 0.142 1.00 73.22 H new ATOM 0 HG12 ILE A 66 12.047 3.463 0.457 1.00 3.03 H new ATOM 0 HG13 ILE A 66 13.486 3.774 1.408 1.00 3.03 H new ATOM 0 HG21 ILE A 66 13.439 2.183 -1.970 1.00 54.41 H new ATOM 0 HG22 ILE A 66 13.502 0.511 -1.365 1.00 54.41 H new ATOM 0 HG23 ILE A 66 12.019 1.474 -1.166 1.00 54.41 H new ATOM 0 HD11 ILE A 66 13.225 5.447 -0.360 1.00 21.02 H new ATOM 0 HD12 ILE A 66 14.696 4.481 -0.628 1.00 21.02 H new ATOM 0 HD13 ILE A 66 13.235 4.164 -1.594 1.00 21.02 H new ATOM 1101 N LEU A 67 14.949 -0.559 0.974 1.00 2.30 N ATOM 1102 CA LEU A 67 15.512 -1.878 0.659 1.00 3.20 C ATOM 1103 C LEU A 67 15.124 -2.928 1.715 1.00 55.10 C ATOM 1104 O LEU A 67 15.017 -4.120 1.413 1.00 13.51 O ATOM 1105 CB LEU A 67 17.045 -1.788 0.482 1.00 61.02 C ATOM 1106 CG LEU A 67 17.852 -1.181 1.654 1.00 24.43 C ATOM 1107 CD1 LEU A 67 18.056 -2.186 2.789 1.00 35.01 C ATOM 1108 CD2 LEU A 67 19.200 -0.653 1.162 1.00 23.42 C ATOM 0 H LEU A 67 15.645 0.164 1.159 1.00 2.30 H new ATOM 0 HA LEU A 67 15.083 -2.208 -0.287 1.00 3.20 H new ATOM 0 HB2 LEU A 67 17.424 -2.793 0.294 1.00 61.02 H new ATOM 0 HB3 LEU A 67 17.249 -1.198 -0.411 1.00 61.02 H new ATOM 0 HG LEU A 67 17.270 -0.350 2.052 1.00 24.43 H new ATOM 0 HD11 LEU A 67 18.627 -1.718 3.591 1.00 35.01 H new ATOM 0 HD12 LEU A 67 17.086 -2.504 3.172 1.00 35.01 H new ATOM 0 HD13 LEU A 67 18.600 -3.053 2.414 1.00 35.01 H new ATOM 0 HD21 LEU A 67 19.753 -0.230 2.001 1.00 23.42 H new ATOM 0 HD22 LEU A 67 19.773 -1.470 0.725 1.00 23.42 H new ATOM 0 HD23 LEU A 67 19.036 0.118 0.410 1.00 23.42 H new ATOM 1120 N LEU A 68 14.904 -2.474 2.950 1.00 22.24 N ATOM 1121 CA LEU A 68 14.453 -3.348 4.038 1.00 63.33 C ATOM 1122 C LEU A 68 13.093 -3.985 3.714 1.00 51.00 C ATOM 1123 O LEU A 68 12.965 -5.210 3.637 1.00 1.20 O ATOM 1124 CB LEU A 68 14.361 -2.548 5.350 1.00 14.13 C ATOM 1125 CG LEU A 68 13.604 -3.235 6.502 1.00 63.55 C ATOM 1126 CD1 LEU A 68 14.255 -4.567 6.873 1.00 63.40 C ATOM 1127 CD2 LEU A 68 13.527 -2.315 7.721 1.00 50.24 C ATOM 0 H LEU A 68 15.031 -1.500 3.224 1.00 22.24 H new ATOM 0 HA LEU A 68 15.182 -4.150 4.153 1.00 63.33 H new ATOM 0 HB2 LEU A 68 15.373 -2.323 5.688 1.00 14.13 H new ATOM 0 HB3 LEU A 68 13.876 -1.595 5.139 1.00 14.13 H new ATOM 0 HG LEU A 68 12.590 -3.441 6.160 1.00 63.55 H new ATOM 0 HD11 LEU A 68 13.699 -5.029 7.689 1.00 63.40 H new ATOM 0 HD12 LEU A 68 14.247 -5.230 6.008 1.00 63.40 H new ATOM 0 HD13 LEU A 68 15.284 -4.394 7.188 1.00 63.40 H new ATOM 0 HD21 LEU A 68 12.988 -2.819 8.524 1.00 50.24 H new ATOM 0 HD22 LEU A 68 14.535 -2.071 8.057 1.00 50.24 H new ATOM 0 HD23 LEU A 68 13.003 -1.398 7.452 1.00 50.24 H new ATOM 1139 N PHE A 69 12.082 -3.147 3.517 1.00 33.34 N ATOM 1140 CA PHE A 69 10.726 -3.627 3.260 1.00 14.13 C ATOM 1141 C PHE A 69 10.542 -4.137 1.825 1.00 43.52 C ATOM 1142 O PHE A 69 9.776 -5.070 1.596 1.00 23.11 O ATOM 1143 CB PHE A 69 9.712 -2.532 3.596 1.00 14.24 C ATOM 1144 CG PHE A 69 9.467 -2.417 5.076 1.00 62.12 C ATOM 1145 CD1 PHE A 69 8.622 -3.313 5.709 1.00 52.21 C ATOM 1146 CD2 PHE A 69 10.096 -1.440 5.836 1.00 31.23 C ATOM 1147 CE1 PHE A 69 8.401 -3.238 7.066 1.00 34.33 C ATOM 1148 CE2 PHE A 69 9.880 -1.364 7.197 1.00 35.53 C ATOM 1149 CZ PHE A 69 9.032 -2.264 7.814 1.00 11.54 C ATOM 0 H PHE A 69 12.174 -2.131 3.530 1.00 33.34 H new ATOM 0 HA PHE A 69 10.551 -4.484 3.910 1.00 14.13 H new ATOM 0 HB2 PHE A 69 10.072 -1.577 3.214 1.00 14.24 H new ATOM 0 HB3 PHE A 69 8.770 -2.744 3.089 1.00 14.24 H new ATOM 0 HD1 PHE A 69 8.130 -4.081 5.131 1.00 52.21 H new ATOM 0 HD2 PHE A 69 10.759 -0.734 5.358 1.00 31.23 H new ATOM 0 HE1 PHE A 69 7.735 -3.940 7.545 1.00 34.33 H new ATOM 0 HE2 PHE A 69 10.374 -0.601 7.780 1.00 35.53 H new ATOM 0 HZ PHE A 69 8.863 -2.206 8.879 1.00 11.54 H new ATOM 1159 N ARG A 70 11.253 -3.549 0.865 1.00 0.43 N ATOM 1160 CA ARG A 70 11.207 -4.026 -0.525 1.00 51.40 C ATOM 1161 C ARG A 70 11.653 -5.500 -0.592 1.00 21.20 C ATOM 1162 O ARG A 70 11.177 -6.269 -1.421 1.00 12.23 O ATOM 1163 CB ARG A 70 12.101 -3.147 -1.429 1.00 72.44 C ATOM 1164 CG ARG A 70 11.594 -2.981 -2.865 1.00 62.04 C ATOM 1165 CD ARG A 70 11.669 -4.269 -3.687 1.00 33.02 C ATOM 1166 NE ARG A 70 11.021 -4.118 -4.987 1.00 12.11 N ATOM 1167 CZ ARG A 70 11.125 -4.969 -5.971 1.00 13.34 C ATOM 1168 NH1 ARG A 70 11.871 -6.021 -5.869 1.00 41.55 N ATOM 1169 NH2 ARG A 70 10.481 -4.753 -7.069 1.00 31.15 N ATOM 0 H ARG A 70 11.865 -2.747 1.017 1.00 0.43 H new ATOM 0 HA ARG A 70 10.181 -3.954 -0.887 1.00 51.40 H new ATOM 0 HB2 ARG A 70 12.194 -2.160 -0.975 1.00 72.44 H new ATOM 0 HB3 ARG A 70 13.101 -3.580 -1.459 1.00 72.44 H new ATOM 0 HG2 ARG A 70 10.561 -2.634 -2.840 1.00 62.04 H new ATOM 0 HG3 ARG A 70 12.179 -2.207 -3.362 1.00 62.04 H new ATOM 0 HD2 ARG A 70 12.713 -4.549 -3.831 1.00 33.02 H new ATOM 0 HD3 ARG A 70 11.194 -5.081 -3.136 1.00 33.02 H new ATOM 0 HE ARG A 70 10.446 -3.289 -5.137 1.00 12.11 H new ATOM 0 HH11 ARG A 70 12.390 -6.197 -5.009 1.00 41.55 H new ATOM 0 HH12 ARG A 70 11.940 -6.675 -6.649 1.00 41.55 H new ATOM 0 HH21 ARG A 70 9.897 -3.922 -7.162 1.00 31.15 H new ATOM 0 HH22 ARG A 70 10.557 -5.413 -7.843 1.00 31.15 H new ATOM 1183 N ASP A 71 12.564 -5.877 0.307 1.00 24.13 N ATOM 1184 CA ASP A 71 13.041 -7.261 0.416 1.00 64.11 C ATOM 1185 C ASP A 71 11.912 -8.224 0.843 1.00 74.24 C ATOM 1186 O ASP A 71 11.701 -9.263 0.219 1.00 3.22 O ATOM 1187 CB ASP A 71 14.205 -7.313 1.416 1.00 73.22 C ATOM 1188 CG ASP A 71 14.671 -8.726 1.716 1.00 73.42 C ATOM 1189 OD1 ASP A 71 15.265 -9.370 0.825 1.00 0.22 O ATOM 1190 OD2 ASP A 71 14.447 -9.200 2.848 1.00 11.51 O ATOM 0 H ASP A 71 12.991 -5.238 0.977 1.00 24.13 H new ATOM 0 HA ASP A 71 13.384 -7.589 -0.565 1.00 64.11 H new ATOM 0 HB2 ASP A 71 15.042 -6.737 1.020 1.00 73.22 H new ATOM 0 HB3 ASP A 71 13.899 -6.833 2.346 1.00 73.22 H new ATOM 1195 N ARG A 72 11.189 -7.872 1.904 1.00 70.25 N ATOM 1196 CA ARG A 72 10.109 -8.730 2.428 1.00 20.21 C ATOM 1197 C ARG A 72 8.767 -8.491 1.707 1.00 35.45 C ATOM 1198 O ARG A 72 7.800 -9.225 1.926 1.00 72.13 O ATOM 1199 CB ARG A 72 9.943 -8.520 3.944 1.00 21.45 C ATOM 1200 CG ARG A 72 9.880 -7.054 4.368 1.00 4.13 C ATOM 1201 CD ARG A 72 9.675 -6.897 5.875 1.00 21.43 C ATOM 1202 NE ARG A 72 8.338 -7.317 6.300 1.00 24.32 N ATOM 1203 CZ ARG A 72 7.842 -7.110 7.492 1.00 44.45 C ATOM 1204 NH1 ARG A 72 8.555 -6.554 8.418 1.00 23.04 N ATOM 1205 NH2 ARG A 72 6.629 -7.471 7.760 1.00 74.11 N ATOM 0 H ARG A 72 11.325 -7.004 2.422 1.00 70.25 H new ATOM 0 HA ARG A 72 10.400 -9.763 2.236 1.00 20.21 H new ATOM 0 HB2 ARG A 72 9.032 -9.021 4.272 1.00 21.45 H new ATOM 0 HB3 ARG A 72 10.774 -9.001 4.460 1.00 21.45 H new ATOM 0 HG2 ARG A 72 10.802 -6.553 4.074 1.00 4.13 H new ATOM 0 HG3 ARG A 72 9.066 -6.559 3.839 1.00 4.13 H new ATOM 0 HD2 ARG A 72 10.424 -7.486 6.405 1.00 21.43 H new ATOM 0 HD3 ARG A 72 9.832 -5.855 6.154 1.00 21.43 H new ATOM 0 HE ARG A 72 7.754 -7.804 5.620 1.00 24.32 H new ATOM 0 HH11 ARG A 72 9.515 -6.272 8.222 1.00 23.04 H new ATOM 0 HH12 ARG A 72 8.157 -6.398 9.344 1.00 23.04 H new ATOM 0 HH21 ARG A 72 6.059 -7.917 7.041 1.00 74.11 H new ATOM 0 HH22 ARG A 72 6.242 -7.309 8.690 1.00 74.11 H new ATOM 1219 N PHE A 73 8.707 -7.472 0.850 1.00 4.20 N ATOM 1220 CA PHE A 73 7.476 -7.146 0.108 1.00 60.23 C ATOM 1221 C PHE A 73 7.714 -7.067 -1.408 1.00 24.33 C ATOM 1222 O PHE A 73 7.043 -6.323 -2.123 1.00 33.20 O ATOM 1223 CB PHE A 73 6.901 -5.821 0.598 1.00 4.12 C ATOM 1224 CG PHE A 73 6.217 -5.901 1.942 1.00 43.14 C ATOM 1225 CD1 PHE A 73 4.901 -6.330 2.036 1.00 53.13 C ATOM 1226 CD2 PHE A 73 6.884 -5.555 3.111 1.00 5.25 C ATOM 1227 CE1 PHE A 73 4.265 -6.412 3.259 1.00 24.02 C ATOM 1228 CE2 PHE A 73 6.249 -5.635 4.335 1.00 41.30 C ATOM 1229 CZ PHE A 73 4.939 -6.065 4.409 1.00 23.50 C ATOM 0 H PHE A 73 9.493 -6.854 0.648 1.00 4.20 H new ATOM 0 HA PHE A 73 6.768 -7.953 0.295 1.00 60.23 H new ATOM 0 HB2 PHE A 73 7.706 -5.088 0.656 1.00 4.12 H new ATOM 0 HB3 PHE A 73 6.187 -5.453 -0.139 1.00 4.12 H new ATOM 0 HD1 PHE A 73 4.366 -6.604 1.139 1.00 53.13 H new ATOM 0 HD2 PHE A 73 7.910 -5.220 3.062 1.00 5.25 H new ATOM 0 HE1 PHE A 73 3.240 -6.748 3.314 1.00 24.02 H new ATOM 0 HE2 PHE A 73 6.778 -5.361 5.236 1.00 41.30 H new ATOM 0 HZ PHE A 73 4.444 -6.129 5.367 1.00 23.50 H new ATOM 1239 N ASP A 74 8.629 -7.883 -1.888 1.00 32.14 N ATOM 1240 CA ASP A 74 9.028 -7.901 -3.308 1.00 42.34 C ATOM 1241 C ASP A 74 7.972 -8.567 -4.221 1.00 43.04 C ATOM 1242 O ASP A 74 8.302 -9.070 -5.299 1.00 20.32 O ATOM 1243 CB ASP A 74 10.371 -8.634 -3.443 1.00 13.23 C ATOM 1244 CG ASP A 74 10.277 -10.104 -3.064 1.00 51.31 C ATOM 1245 OD1 ASP A 74 9.953 -10.404 -1.897 1.00 45.01 O ATOM 1246 OD2 ASP A 74 10.516 -10.967 -3.939 1.00 30.23 O ATOM 0 H ASP A 74 9.128 -8.562 -1.313 1.00 32.14 H new ATOM 0 HA ASP A 74 9.119 -6.866 -3.637 1.00 42.34 H new ATOM 0 HB2 ASP A 74 10.725 -8.550 -4.471 1.00 13.23 H new ATOM 0 HB3 ASP A 74 11.112 -8.146 -2.810 1.00 13.23 H new ATOM 1251 N GLY A 75 6.704 -8.538 -3.812 1.00 1.21 N ATOM 1252 CA GLY A 75 5.642 -9.180 -4.584 1.00 61.34 C ATOM 1253 C GLY A 75 5.034 -10.384 -3.870 1.00 2.40 C ATOM 1254 O GLY A 75 5.106 -11.512 -4.360 1.00 64.35 O ATOM 0 H GLY A 75 6.389 -8.080 -2.957 1.00 1.21 H new ATOM 0 HA2 GLY A 75 4.858 -8.451 -4.789 1.00 61.34 H new ATOM 0 HA3 GLY A 75 6.041 -9.498 -5.547 1.00 61.34 H new ATOM 1258 N TYR A 76 4.432 -10.140 -2.709 1.00 70.35 N ATOM 1259 CA TYR A 76 3.828 -11.211 -1.902 1.00 64.31 C ATOM 1260 C TYR A 76 2.350 -11.431 -2.274 1.00 4.33 C ATOM 1261 O TYR A 76 1.748 -10.620 -2.981 1.00 75.03 O ATOM 1262 CB TYR A 76 3.934 -10.861 -0.410 1.00 43.52 C ATOM 1263 CG TYR A 76 2.997 -9.745 0.016 1.00 32.33 C ATOM 1264 CD1 TYR A 76 3.257 -8.426 -0.333 1.00 2.45 C ATOM 1265 CD2 TYR A 76 1.852 -10.013 0.759 1.00 21.10 C ATOM 1266 CE1 TYR A 76 2.402 -7.411 0.038 1.00 74.55 C ATOM 1267 CE2 TYR A 76 0.994 -8.997 1.136 1.00 44.33 C ATOM 1268 CZ TYR A 76 1.275 -7.700 0.774 1.00 71.11 C ATOM 1269 OH TYR A 76 0.421 -6.687 1.137 1.00 35.12 O ATOM 0 H TYR A 76 4.346 -9.209 -2.300 1.00 70.35 H new ATOM 0 HA TYR A 76 4.372 -12.133 -2.107 1.00 64.31 H new ATOM 0 HB2 TYR A 76 3.719 -11.751 0.181 1.00 43.52 H new ATOM 0 HB3 TYR A 76 4.960 -10.570 -0.185 1.00 43.52 H new ATOM 0 HD1 TYR A 76 4.143 -8.192 -0.904 1.00 2.45 H new ATOM 0 HD2 TYR A 76 1.630 -11.030 1.046 1.00 21.10 H new ATOM 0 HE1 TYR A 76 2.615 -6.392 -0.248 1.00 74.55 H new ATOM 0 HE2 TYR A 76 0.108 -9.220 1.712 1.00 44.33 H new ATOM 0 HH TYR A 76 -0.485 -6.897 0.829 1.00 35.12 H new ATOM 1279 N ILE A 77 1.769 -12.529 -1.790 1.00 21.42 N ATOM 1280 CA ILE A 77 0.341 -12.809 -1.986 1.00 72.50 C ATOM 1281 C ILE A 77 -0.429 -12.726 -0.653 1.00 74.21 C ATOM 1282 O ILE A 77 -0.173 -13.497 0.275 1.00 54.33 O ATOM 1283 CB ILE A 77 0.121 -14.212 -2.614 1.00 60.11 C ATOM 1284 CG1 ILE A 77 0.825 -14.316 -3.982 1.00 43.11 C ATOM 1285 CG2 ILE A 77 -1.372 -14.520 -2.748 1.00 33.44 C ATOM 1286 CD1 ILE A 77 0.296 -13.352 -5.026 1.00 43.03 C ATOM 0 H ILE A 77 2.265 -13.243 -1.257 1.00 21.42 H new ATOM 0 HA ILE A 77 -0.040 -12.050 -2.669 1.00 72.50 H new ATOM 0 HB ILE A 77 0.562 -14.954 -1.948 1.00 60.11 H new ATOM 0 HG12 ILE A 77 1.891 -14.136 -3.844 1.00 43.11 H new ATOM 0 HG13 ILE A 77 0.719 -15.334 -4.356 1.00 43.11 H new ATOM 0 HG21 ILE A 77 -1.501 -15.508 -3.190 1.00 33.44 H new ATOM 0 HG22 ILE A 77 -1.838 -14.500 -1.763 1.00 33.44 H new ATOM 0 HG23 ILE A 77 -1.842 -13.772 -3.387 1.00 33.44 H new ATOM 0 HD11 ILE A 77 0.844 -13.489 -5.958 1.00 43.03 H new ATOM 0 HD12 ILE A 77 -0.763 -13.545 -5.196 1.00 43.03 H new ATOM 0 HD13 ILE A 77 0.427 -12.328 -4.675 1.00 43.03 H new ATOM 1298 N PHE A 78 -1.360 -11.780 -0.559 1.00 64.40 N ATOM 1299 CA PHE A 78 -2.205 -11.630 0.634 1.00 43.20 C ATOM 1300 C PHE A 78 -3.557 -12.336 0.434 1.00 74.15 C ATOM 1301 O PHE A 78 -4.143 -12.274 -0.648 1.00 21.11 O ATOM 1302 CB PHE A 78 -2.422 -10.141 0.946 1.00 0.31 C ATOM 1303 CG PHE A 78 -3.091 -9.886 2.275 1.00 51.34 C ATOM 1304 CD1 PHE A 78 -2.356 -9.924 3.454 1.00 25.44 C ATOM 1305 CD2 PHE A 78 -4.448 -9.608 2.347 1.00 71.20 C ATOM 1306 CE1 PHE A 78 -2.963 -9.687 4.674 1.00 65.33 C ATOM 1307 CE2 PHE A 78 -5.057 -9.373 3.565 1.00 13.31 C ATOM 1308 CZ PHE A 78 -4.314 -9.413 4.728 1.00 4.32 C ATOM 0 H PHE A 78 -1.553 -11.101 -1.295 1.00 64.40 H new ATOM 0 HA PHE A 78 -1.696 -12.096 1.478 1.00 43.20 H new ATOM 0 HB2 PHE A 78 -1.458 -9.633 0.932 1.00 0.31 H new ATOM 0 HB3 PHE A 78 -3.027 -9.698 0.155 1.00 0.31 H new ATOM 0 HD1 PHE A 78 -1.299 -10.141 3.417 1.00 25.44 H new ATOM 0 HD2 PHE A 78 -5.035 -9.575 1.441 1.00 71.20 H new ATOM 0 HE1 PHE A 78 -2.380 -9.716 5.583 1.00 65.33 H new ATOM 0 HE2 PHE A 78 -6.115 -9.158 3.607 1.00 13.31 H new ATOM 0 HZ PHE A 78 -4.790 -9.230 5.680 1.00 4.32 H new ATOM 1318 N LEU A 79 -4.041 -13.015 1.476 1.00 61.22 N ATOM 1319 CA LEU A 79 -5.303 -13.761 1.399 1.00 74.03 C ATOM 1320 C LEU A 79 -6.242 -13.433 2.580 1.00 2.41 C ATOM 1321 O LEU A 79 -5.965 -13.792 3.730 1.00 33.20 O ATOM 1322 CB LEU A 79 -5.005 -15.268 1.373 1.00 21.22 C ATOM 1323 CG LEU A 79 -4.194 -15.761 0.161 1.00 72.43 C ATOM 1324 CD1 LEU A 79 -3.653 -17.163 0.409 1.00 14.53 C ATOM 1325 CD2 LEU A 79 -5.049 -15.735 -1.104 1.00 21.24 C ATOM 0 H LEU A 79 -3.579 -13.065 2.384 1.00 61.22 H new ATOM 0 HA LEU A 79 -5.813 -13.463 0.483 1.00 74.03 H new ATOM 0 HB2 LEU A 79 -4.463 -15.529 2.282 1.00 21.22 H new ATOM 0 HB3 LEU A 79 -5.951 -15.809 1.400 1.00 21.22 H new ATOM 0 HG LEU A 79 -3.349 -15.087 0.020 1.00 72.43 H new ATOM 0 HD11 LEU A 79 -3.083 -17.492 -0.460 1.00 14.53 H new ATOM 0 HD12 LEU A 79 -3.005 -17.153 1.285 1.00 14.53 H new ATOM 0 HD13 LEU A 79 -4.483 -17.849 0.579 1.00 14.53 H new ATOM 0 HD21 LEU A 79 -4.458 -16.087 -1.950 1.00 21.24 H new ATOM 0 HD22 LEU A 79 -5.915 -16.384 -0.971 1.00 21.24 H new ATOM 0 HD23 LEU A 79 -5.385 -14.716 -1.295 1.00 21.24 H new ATOM 1337 N ASP A 80 -7.351 -12.750 2.289 1.00 23.54 N ATOM 1338 CA ASP A 80 -8.381 -12.467 3.302 1.00 62.33 C ATOM 1339 C ASP A 80 -9.247 -13.708 3.591 1.00 50.14 C ATOM 1340 O ASP A 80 -8.958 -14.806 3.118 1.00 71.03 O ATOM 1341 CB ASP A 80 -9.278 -11.312 2.838 1.00 32.20 C ATOM 1342 CG ASP A 80 -8.541 -9.988 2.799 1.00 23.04 C ATOM 1343 OD1 ASP A 80 -7.868 -9.715 1.789 1.00 61.14 O ATOM 1344 OD2 ASP A 80 -8.636 -9.225 3.786 1.00 15.21 O ATOM 0 H ASP A 80 -7.563 -12.381 1.362 1.00 23.54 H new ATOM 0 HA ASP A 80 -7.869 -12.186 4.222 1.00 62.33 H new ATOM 0 HB2 ASP A 80 -9.670 -11.536 1.846 1.00 32.20 H new ATOM 0 HB3 ASP A 80 -10.134 -11.229 3.508 1.00 32.20 H new ATOM 1349 N SER A 81 -10.317 -13.516 4.364 1.00 21.24 N ATOM 1350 CA SER A 81 -11.259 -14.606 4.690 1.00 73.33 C ATOM 1351 C SER A 81 -11.943 -15.172 3.439 1.00 30.52 C ATOM 1352 O SER A 81 -12.513 -16.262 3.471 1.00 74.10 O ATOM 1353 CB SER A 81 -12.333 -14.118 5.672 1.00 44.42 C ATOM 1354 OG SER A 81 -11.759 -13.674 6.892 1.00 72.23 O ATOM 0 H SER A 81 -10.560 -12.617 4.780 1.00 21.24 H new ATOM 0 HA SER A 81 -10.671 -15.401 5.149 1.00 73.33 H new ATOM 0 HB2 SER A 81 -12.900 -13.305 5.218 1.00 44.42 H new ATOM 0 HB3 SER A 81 -13.038 -14.925 5.873 1.00 44.42 H new ATOM 0 HG SER A 81 -12.468 -13.368 7.495 1.00 72.23 H new ATOM 1360 N LYS A 82 -11.906 -14.418 2.344 1.00 45.43 N ATOM 1361 CA LYS A 82 -12.465 -14.876 1.064 1.00 21.21 C ATOM 1362 C LYS A 82 -11.413 -15.631 0.230 1.00 21.32 C ATOM 1363 O LYS A 82 -11.721 -16.175 -0.829 1.00 45.32 O ATOM 1364 CB LYS A 82 -13.022 -13.680 0.274 1.00 22.42 C ATOM 1365 CG LYS A 82 -14.190 -12.975 0.963 1.00 21.22 C ATOM 1366 CD LYS A 82 -15.395 -13.903 1.135 1.00 21.54 C ATOM 1367 CE LYS A 82 -16.561 -13.205 1.832 1.00 2.10 C ATOM 1368 NZ LYS A 82 -17.743 -14.102 1.976 1.00 30.01 N ATOM 0 H LYS A 82 -11.495 -13.485 2.312 1.00 45.43 H new ATOM 0 HA LYS A 82 -13.278 -15.570 1.278 1.00 21.21 H new ATOM 0 HB2 LYS A 82 -12.220 -12.960 0.111 1.00 22.42 H new ATOM 0 HB3 LYS A 82 -13.346 -14.025 -0.708 1.00 22.42 H new ATOM 0 HG2 LYS A 82 -13.870 -12.611 1.939 1.00 21.22 H new ATOM 0 HG3 LYS A 82 -14.484 -12.103 0.379 1.00 21.22 H new ATOM 0 HD2 LYS A 82 -15.719 -14.261 0.158 1.00 21.54 H new ATOM 0 HD3 LYS A 82 -15.099 -14.778 1.713 1.00 21.54 H new ATOM 0 HE2 LYS A 82 -16.243 -12.864 2.817 1.00 2.10 H new ATOM 0 HE3 LYS A 82 -16.845 -12.319 1.264 1.00 2.10 H new ATOM 0 HZ1 LYS A 82 -18.512 -13.590 2.454 1.00 30.01 H new ATOM 0 HZ2 LYS A 82 -18.063 -14.408 1.035 1.00 30.01 H new ATOM 0 HZ3 LYS A 82 -17.480 -14.935 2.540 1.00 30.01 H new ATOM 1382 N GLY A 83 -10.172 -15.649 0.719 1.00 51.31 N ATOM 1383 CA GLY A 83 -9.099 -16.396 0.064 1.00 61.03 C ATOM 1384 C GLY A 83 -8.791 -15.935 -1.361 1.00 21.53 C ATOM 1385 O GLY A 83 -8.446 -16.752 -2.220 1.00 53.53 O ATOM 0 H GLY A 83 -9.886 -15.156 1.565 1.00 51.31 H new ATOM 0 HA2 GLY A 83 -8.194 -16.311 0.665 1.00 61.03 H new ATOM 0 HA3 GLY A 83 -9.368 -17.452 0.042 1.00 61.03 H new ATOM 1389 N LEU A 84 -8.908 -14.634 -1.613 1.00 60.15 N ATOM 1390 CA LEU A 84 -8.596 -14.067 -2.930 1.00 22.43 C ATOM 1391 C LEU A 84 -7.126 -13.622 -2.994 1.00 54.15 C ATOM 1392 O LEU A 84 -6.625 -13.000 -2.062 1.00 4.15 O ATOM 1393 CB LEU A 84 -9.519 -12.874 -3.223 1.00 2.15 C ATOM 1394 CG LEU A 84 -11.027 -13.176 -3.167 1.00 24.11 C ATOM 1395 CD1 LEU A 84 -11.843 -11.910 -3.425 1.00 23.31 C ATOM 1396 CD2 LEU A 84 -11.397 -14.272 -4.166 1.00 42.14 C ATOM 0 H LEU A 84 -9.217 -13.948 -0.924 1.00 60.15 H new ATOM 0 HA LEU A 84 -8.758 -14.837 -3.684 1.00 22.43 H new ATOM 0 HB2 LEU A 84 -9.298 -12.081 -2.508 1.00 2.15 H new ATOM 0 HB3 LEU A 84 -9.280 -12.486 -4.213 1.00 2.15 H new ATOM 0 HG LEU A 84 -11.265 -13.535 -2.166 1.00 24.11 H new ATOM 0 HD11 LEU A 84 -12.906 -12.147 -3.381 1.00 23.31 H new ATOM 0 HD12 LEU A 84 -11.606 -11.163 -2.667 1.00 23.31 H new ATOM 0 HD13 LEU A 84 -11.600 -11.515 -4.412 1.00 23.31 H new ATOM 0 HD21 LEU A 84 -12.467 -14.470 -4.110 1.00 42.14 H new ATOM 0 HD22 LEU A 84 -11.141 -13.947 -5.174 1.00 42.14 H new ATOM 0 HD23 LEU A 84 -10.847 -15.182 -3.928 1.00 42.14 H new ATOM 1408 N GLU A 85 -6.438 -13.950 -4.087 1.00 54.42 N ATOM 1409 CA GLU A 85 -5.025 -13.583 -4.247 1.00 4.13 C ATOM 1410 C GLU A 85 -4.847 -12.067 -4.417 1.00 44.41 C ATOM 1411 O GLU A 85 -5.185 -11.505 -5.461 1.00 60.14 O ATOM 1412 CB GLU A 85 -4.411 -14.306 -5.454 1.00 34.14 C ATOM 1413 CG GLU A 85 -4.447 -15.828 -5.361 1.00 63.24 C ATOM 1414 CD GLU A 85 -3.820 -16.497 -6.575 1.00 4.13 C ATOM 1415 OE1 GLU A 85 -4.456 -16.499 -7.651 1.00 22.33 O ATOM 1416 OE2 GLU A 85 -2.686 -17.015 -6.463 1.00 12.33 O ATOM 0 H GLU A 85 -6.831 -14.467 -4.874 1.00 54.42 H new ATOM 0 HA GLU A 85 -4.510 -13.890 -3.337 1.00 4.13 H new ATOM 0 HB2 GLU A 85 -4.940 -13.996 -6.355 1.00 34.14 H new ATOM 0 HB3 GLU A 85 -3.375 -13.985 -5.566 1.00 34.14 H new ATOM 0 HG2 GLU A 85 -3.921 -16.147 -4.461 1.00 63.24 H new ATOM 0 HG3 GLU A 85 -5.481 -16.159 -5.260 1.00 63.24 H new ATOM 1423 N TYR A 86 -4.331 -11.405 -3.386 1.00 13.14 N ATOM 1424 CA TYR A 86 -3.989 -9.980 -3.472 1.00 24.23 C ATOM 1425 C TYR A 86 -2.466 -9.778 -3.565 1.00 62.12 C ATOM 1426 O TYR A 86 -1.771 -9.754 -2.547 1.00 1.13 O ATOM 1427 CB TYR A 86 -4.554 -9.215 -2.264 1.00 74.04 C ATOM 1428 CG TYR A 86 -6.070 -9.210 -2.209 1.00 71.23 C ATOM 1429 CD1 TYR A 86 -6.809 -8.361 -3.024 1.00 65.04 C ATOM 1430 CD2 TYR A 86 -6.761 -10.059 -1.350 1.00 14.33 C ATOM 1431 CE1 TYR A 86 -8.189 -8.356 -2.987 1.00 35.10 C ATOM 1432 CE2 TYR A 86 -8.143 -10.057 -1.307 1.00 42.12 C ATOM 1433 CZ TYR A 86 -8.850 -9.204 -2.127 1.00 61.11 C ATOM 1434 OH TYR A 86 -10.226 -9.200 -2.091 1.00 53.10 O ATOM 0 H TYR A 86 -4.139 -11.829 -2.478 1.00 13.14 H new ATOM 0 HA TYR A 86 -4.440 -9.583 -4.381 1.00 24.23 H new ATOM 0 HB2 TYR A 86 -4.166 -9.660 -1.348 1.00 74.04 H new ATOM 0 HB3 TYR A 86 -4.196 -8.186 -2.295 1.00 74.04 H new ATOM 0 HD1 TYR A 86 -6.294 -7.693 -3.699 1.00 65.04 H new ATOM 0 HD2 TYR A 86 -6.210 -10.729 -0.707 1.00 14.33 H new ATOM 0 HE1 TYR A 86 -8.747 -7.691 -3.629 1.00 35.10 H new ATOM 0 HE2 TYR A 86 -8.666 -10.721 -0.634 1.00 42.12 H new ATOM 0 HH TYR A 86 -10.577 -9.258 -3.004 1.00 53.10 H new ATOM 1444 N PRO A 87 -1.917 -9.674 -4.796 1.00 44.41 N ATOM 1445 CA PRO A 87 -0.489 -9.402 -5.000 1.00 51.32 C ATOM 1446 C PRO A 87 -0.140 -7.919 -4.805 1.00 30.31 C ATOM 1447 O PRO A 87 -0.987 -7.039 -4.968 1.00 64.31 O ATOM 1448 CB PRO A 87 -0.263 -9.828 -6.454 1.00 11.13 C ATOM 1449 CG PRO A 87 -1.573 -9.573 -7.122 1.00 53.02 C ATOM 1450 CD PRO A 87 -2.637 -9.822 -6.079 1.00 33.01 C ATOM 0 HA PRO A 87 0.139 -9.930 -4.282 1.00 51.32 H new ATOM 0 HB2 PRO A 87 0.538 -9.252 -6.917 1.00 11.13 H new ATOM 0 HB3 PRO A 87 0.020 -10.879 -6.521 1.00 11.13 H new ATOM 0 HG2 PRO A 87 -1.626 -8.550 -7.495 1.00 53.02 H new ATOM 0 HG3 PRO A 87 -1.707 -10.233 -7.979 1.00 53.02 H new ATOM 0 HD2 PRO A 87 -3.455 -9.106 -6.163 1.00 33.01 H new ATOM 0 HD3 PRO A 87 -3.072 -10.816 -6.181 1.00 33.01 H new ATOM 1458 N ALA A 88 1.111 -7.648 -4.450 1.00 4.45 N ATOM 1459 CA ALA A 88 1.574 -6.273 -4.255 1.00 42.24 C ATOM 1460 C ALA A 88 3.029 -6.097 -4.708 1.00 73.45 C ATOM 1461 O ALA A 88 3.964 -6.499 -4.011 1.00 21.12 O ATOM 1462 CB ALA A 88 1.410 -5.869 -2.794 1.00 53.42 C ATOM 0 H ALA A 88 1.824 -8.359 -4.291 1.00 4.45 H new ATOM 0 HA ALA A 88 0.961 -5.619 -4.874 1.00 42.24 H new ATOM 0 HB1 ALA A 88 1.757 -4.845 -2.659 1.00 53.42 H new ATOM 0 HB2 ALA A 88 0.359 -5.936 -2.514 1.00 53.42 H new ATOM 0 HB3 ALA A 88 1.997 -6.537 -2.164 1.00 53.42 H new ATOM 1468 N VAL A 89 3.213 -5.509 -5.886 1.00 1.30 N ATOM 1469 CA VAL A 89 4.551 -5.257 -6.431 1.00 1.41 C ATOM 1470 C VAL A 89 5.016 -3.830 -6.103 1.00 43.11 C ATOM 1471 O VAL A 89 4.468 -2.856 -6.615 1.00 44.23 O ATOM 1472 CB VAL A 89 4.583 -5.465 -7.968 1.00 14.53 C ATOM 1473 CG1 VAL A 89 5.990 -5.225 -8.525 1.00 14.24 C ATOM 1474 CG2 VAL A 89 4.078 -6.862 -8.332 1.00 11.14 C ATOM 0 H VAL A 89 2.451 -5.195 -6.487 1.00 1.30 H new ATOM 0 HA VAL A 89 5.228 -5.973 -5.965 1.00 1.41 H new ATOM 0 HB VAL A 89 3.916 -4.734 -8.425 1.00 14.53 H new ATOM 0 HG11 VAL A 89 5.985 -5.377 -9.604 1.00 14.24 H new ATOM 0 HG12 VAL A 89 6.299 -4.203 -8.304 1.00 14.24 H new ATOM 0 HG13 VAL A 89 6.688 -5.923 -8.063 1.00 14.24 H new ATOM 0 HG21 VAL A 89 4.108 -6.989 -9.414 1.00 11.14 H new ATOM 0 HG22 VAL A 89 4.713 -7.613 -7.861 1.00 11.14 H new ATOM 0 HG23 VAL A 89 3.053 -6.981 -7.981 1.00 11.14 H new ATOM 1484 N VAL A 90 6.018 -3.715 -5.237 1.00 71.00 N ATOM 1485 CA VAL A 90 6.537 -2.407 -4.819 1.00 1.30 C ATOM 1486 C VAL A 90 7.791 -2.008 -5.622 1.00 73.31 C ATOM 1487 O VAL A 90 8.697 -2.823 -5.829 1.00 65.24 O ATOM 1488 CB VAL A 90 6.859 -2.406 -3.300 1.00 55.44 C ATOM 1489 CG1 VAL A 90 7.931 -3.442 -2.960 1.00 23.25 C ATOM 1490 CG2 VAL A 90 7.271 -1.014 -2.823 1.00 0.13 C ATOM 0 H VAL A 90 6.491 -4.510 -4.808 1.00 71.00 H new ATOM 0 HA VAL A 90 5.759 -1.671 -5.020 1.00 1.30 H new ATOM 0 HB VAL A 90 5.948 -2.684 -2.770 1.00 55.44 H new ATOM 0 HG11 VAL A 90 8.135 -3.417 -1.889 1.00 23.25 H new ATOM 0 HG12 VAL A 90 7.579 -4.435 -3.239 1.00 23.25 H new ATOM 0 HG13 VAL A 90 8.845 -3.213 -3.508 1.00 23.25 H new ATOM 0 HG21 VAL A 90 7.490 -1.045 -1.756 1.00 0.13 H new ATOM 0 HG22 VAL A 90 8.159 -0.691 -3.366 1.00 0.13 H new ATOM 0 HG23 VAL A 90 6.458 -0.311 -3.006 1.00 0.13 H new ATOM 1500 N GLU A 91 7.836 -0.756 -6.082 1.00 33.44 N ATOM 1501 CA GLU A 91 8.987 -0.253 -6.851 1.00 24.44 C ATOM 1502 C GLU A 91 9.136 1.277 -6.740 1.00 72.34 C ATOM 1503 O GLU A 91 8.188 1.987 -6.396 1.00 40.52 O ATOM 1504 CB GLU A 91 8.869 -0.661 -8.330 1.00 74.32 C ATOM 1505 CG GLU A 91 7.620 -0.130 -9.030 1.00 65.30 C ATOM 1506 CD GLU A 91 7.582 -0.485 -10.508 1.00 14.33 C ATOM 1507 OE1 GLU A 91 8.117 0.296 -11.327 1.00 3.42 O ATOM 1508 OE2 GLU A 91 7.024 -1.548 -10.862 1.00 21.23 O ATOM 0 H GLU A 91 7.094 -0.071 -5.939 1.00 33.44 H new ATOM 0 HA GLU A 91 9.880 -0.706 -6.421 1.00 24.44 H new ATOM 0 HB2 GLU A 91 9.750 -0.305 -8.864 1.00 74.32 H new ATOM 0 HB3 GLU A 91 8.874 -1.749 -8.396 1.00 74.32 H new ATOM 0 HG2 GLU A 91 6.734 -0.534 -8.540 1.00 65.30 H new ATOM 0 HG3 GLU A 91 7.579 0.954 -8.919 1.00 65.30 H new ATOM 1515 N PHE A 92 10.337 1.772 -7.037 1.00 34.33 N ATOM 1516 CA PHE A 92 10.637 3.208 -6.971 1.00 45.42 C ATOM 1517 C PHE A 92 9.864 4.011 -8.036 1.00 43.22 C ATOM 1518 O PHE A 92 9.604 3.522 -9.139 1.00 25.55 O ATOM 1519 CB PHE A 92 12.150 3.423 -7.135 1.00 53.03 C ATOM 1520 CG PHE A 92 12.585 4.870 -7.050 1.00 34.30 C ATOM 1521 CD1 PHE A 92 12.729 5.492 -5.818 1.00 31.20 C ATOM 1522 CD2 PHE A 92 12.849 5.604 -8.200 1.00 64.02 C ATOM 1523 CE1 PHE A 92 13.124 6.814 -5.734 1.00 61.01 C ATOM 1524 CE2 PHE A 92 13.246 6.926 -8.120 1.00 14.41 C ATOM 1525 CZ PHE A 92 13.383 7.533 -6.886 1.00 21.41 C ATOM 0 H PHE A 92 11.127 1.196 -7.329 1.00 34.33 H new ATOM 0 HA PHE A 92 10.315 3.575 -5.997 1.00 45.42 H new ATOM 0 HB2 PHE A 92 12.672 2.853 -6.366 1.00 53.03 H new ATOM 0 HB3 PHE A 92 12.461 3.018 -8.098 1.00 53.03 H new ATOM 0 HD1 PHE A 92 12.530 4.936 -4.914 1.00 31.20 H new ATOM 0 HD2 PHE A 92 12.743 5.136 -9.168 1.00 64.02 H new ATOM 0 HE1 PHE A 92 13.230 7.285 -4.768 1.00 61.01 H new ATOM 0 HE2 PHE A 92 13.449 7.484 -9.022 1.00 14.41 H new ATOM 0 HZ PHE A 92 13.691 8.566 -6.822 1.00 21.41 H new ATOM 1535 N ALA A 93 9.514 5.250 -7.705 1.00 75.23 N ATOM 1536 CA ALA A 93 8.789 6.140 -8.620 1.00 41.12 C ATOM 1537 C ALA A 93 9.539 7.472 -8.811 1.00 75.33 C ATOM 1538 O ALA A 93 10.166 7.976 -7.877 1.00 32.41 O ATOM 1539 CB ALA A 93 7.382 6.396 -8.091 1.00 73.31 C ATOM 0 H ALA A 93 9.722 5.669 -6.799 1.00 75.23 H new ATOM 0 HA ALA A 93 8.722 5.651 -9.592 1.00 41.12 H new ATOM 0 HB1 ALA A 93 6.851 7.057 -8.776 1.00 73.31 H new ATOM 0 HB2 ALA A 93 6.846 5.450 -8.010 1.00 73.31 H new ATOM 0 HB3 ALA A 93 7.442 6.864 -7.108 1.00 73.31 H new