USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=9 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 Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 11 MET CE :methyl 161:sc= -0.218 (180deg=-0.715) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 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= -3.86! C(o=-3.9!,f=-11!) USER MOD Single : A 36 HIS : no HD1:sc= -5.42! K(o=-5.4!,f=-4.7) 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= -0.0168 USER MOD Single : A 57 TYR OH : rot 30:sc= 0.212 USER MOD Single : A 59 ASN : amide:sc= -1.33! K(o=-1.3!,f=0) USER MOD Single : A 62 ASN : amide:sc= -4.33! C(o=-4.3!,f=-6.9!) USER MOD Single : A 76 TYR OH : rot 155:sc= 0.0234 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 180:sc= -0.607 USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 13.380 8.904 -1.347 1.00 62.31 N ATOM 147 CA HIS A 10 12.581 8.685 -2.563 1.00 73.52 C ATOM 148 C HIS A 10 11.224 8.040 -2.241 1.00 14.41 C ATOM 149 O HIS A 10 11.128 7.165 -1.379 1.00 43.13 O ATOM 150 CB HIS A 10 13.350 7.807 -3.562 1.00 60.21 C ATOM 151 CG HIS A 10 14.604 8.445 -4.077 1.00 32.02 C ATOM 152 ND1 HIS A 10 15.848 7.867 -3.961 1.00 42.23 N ATOM 153 CD2 HIS A 10 14.800 9.625 -4.712 1.00 63.14 C ATOM 154 CE1 HIS A 10 16.752 8.661 -4.497 1.00 61.11 C ATOM 155 NE2 HIS A 10 16.145 9.734 -4.961 1.00 4.32 N ATOM 0 HA HIS A 10 12.395 9.662 -3.010 1.00 73.52 H new ATOM 0 HB2 HIS A 10 13.603 6.862 -3.082 1.00 60.21 H new ATOM 0 HB3 HIS A 10 12.699 7.573 -4.404 1.00 60.21 H new ATOM 0 HD2 HIS A 10 14.040 10.346 -4.974 1.00 63.14 H new ATOM 0 HE1 HIS A 10 17.813 8.465 -4.548 1.00 61.11 H new ATOM 0 HE2 HIS A 10 16.600 10.518 -5.429 1.00 4.32 H new ATOM 164 N MET A 11 10.183 8.471 -2.949 1.00 62.25 N ATOM 165 CA MET A 11 8.829 7.942 -2.736 1.00 62.04 C ATOM 166 C MET A 11 8.626 6.585 -3.440 1.00 22.13 C ATOM 167 O MET A 11 8.352 6.519 -4.644 1.00 12.13 O ATOM 168 CB MET A 11 7.765 8.959 -3.198 1.00 14.54 C ATOM 169 CG MET A 11 7.926 9.438 -4.639 1.00 72.32 C ATOM 170 SD MET A 11 6.596 10.546 -5.164 1.00 64.42 S ATOM 171 CE MET A 11 6.718 11.835 -3.923 1.00 23.21 C ATOM 0 H MET A 11 10.246 9.184 -3.675 1.00 62.25 H new ATOM 0 HA MET A 11 8.710 7.776 -1.665 1.00 62.04 H new ATOM 0 HB2 MET A 11 6.779 8.509 -3.087 1.00 14.54 H new ATOM 0 HB3 MET A 11 7.797 9.824 -2.536 1.00 14.54 H new ATOM 0 HG2 MET A 11 8.882 9.952 -4.741 1.00 72.32 H new ATOM 0 HG3 MET A 11 7.956 8.574 -5.303 1.00 72.32 H new ATOM 0 HE1 MET A 11 6.218 12.734 -4.282 1.00 23.21 H new ATOM 0 HE2 MET A 11 6.243 11.499 -3.001 1.00 23.21 H new ATOM 0 HE3 MET A 11 7.768 12.056 -3.730 1.00 23.21 H new ATOM 181 N VAL A 12 8.799 5.503 -2.686 1.00 33.11 N ATOM 182 CA VAL A 12 8.548 4.153 -3.199 1.00 33.41 C ATOM 183 C VAL A 12 7.096 3.724 -2.923 1.00 31.50 C ATOM 184 O VAL A 12 6.639 3.744 -1.779 1.00 33.24 O ATOM 185 CB VAL A 12 9.523 3.121 -2.576 1.00 51.04 C ATOM 186 CG1 VAL A 12 9.275 1.721 -3.133 1.00 5.54 C ATOM 187 CG2 VAL A 12 10.974 3.549 -2.796 1.00 41.32 C ATOM 0 H VAL A 12 9.112 5.532 -1.716 1.00 33.11 H new ATOM 0 HA VAL A 12 8.714 4.180 -4.276 1.00 33.41 H new ATOM 0 HB VAL A 12 9.337 3.087 -1.503 1.00 51.04 H new ATOM 0 HG11 VAL A 12 9.974 1.019 -2.678 1.00 5.54 H new ATOM 0 HG12 VAL A 12 8.254 1.415 -2.906 1.00 5.54 H new ATOM 0 HG13 VAL A 12 9.420 1.728 -4.213 1.00 5.54 H new ATOM 0 HG21 VAL A 12 11.642 2.812 -2.351 1.00 41.32 H new ATOM 0 HG22 VAL A 12 11.174 3.622 -3.865 1.00 41.32 H new ATOM 0 HG23 VAL A 12 11.142 4.519 -2.329 1.00 41.32 H new ATOM 197 N VAL A 13 6.381 3.338 -3.980 1.00 41.23 N ATOM 198 CA VAL A 13 4.955 2.997 -3.887 1.00 23.22 C ATOM 199 C VAL A 13 4.699 1.483 -4.048 1.00 20.55 C ATOM 200 O VAL A 13 5.631 0.678 -4.121 1.00 30.30 O ATOM 201 CB VAL A 13 4.129 3.769 -4.952 1.00 32.41 C ATOM 202 CG1 VAL A 13 4.255 5.279 -4.748 1.00 21.12 C ATOM 203 CG2 VAL A 13 4.555 3.371 -6.370 1.00 54.24 C ATOM 0 H VAL A 13 6.767 3.252 -4.920 1.00 41.23 H new ATOM 0 HA VAL A 13 4.635 3.292 -2.887 1.00 23.22 H new ATOM 0 HB VAL A 13 3.081 3.498 -4.828 1.00 32.41 H new ATOM 0 HG11 VAL A 13 3.668 5.799 -5.505 1.00 21.12 H new ATOM 0 HG12 VAL A 13 3.886 5.544 -3.757 1.00 21.12 H new ATOM 0 HG13 VAL A 13 5.301 5.572 -4.836 1.00 21.12 H new ATOM 0 HG21 VAL A 13 3.962 3.925 -7.097 1.00 54.24 H new ATOM 0 HG22 VAL A 13 5.611 3.602 -6.511 1.00 54.24 H new ATOM 0 HG23 VAL A 13 4.396 2.302 -6.511 1.00 54.24 H new ATOM 213 N ILE A 14 3.420 1.107 -4.099 1.00 34.51 N ATOM 214 CA ILE A 14 3.020 -0.296 -4.255 1.00 33.12 C ATOM 215 C ILE A 14 2.200 -0.478 -5.553 1.00 41.24 C ATOM 216 O ILE A 14 1.558 0.462 -6.027 1.00 2.41 O ATOM 217 CB ILE A 14 2.197 -0.765 -3.020 1.00 14.24 C ATOM 218 CG1 ILE A 14 2.154 -2.300 -2.921 1.00 71.44 C ATOM 219 CG2 ILE A 14 0.785 -0.186 -3.044 1.00 65.43 C ATOM 220 CD1 ILE A 14 3.455 -2.921 -2.455 1.00 11.33 C ATOM 0 H ILE A 14 2.637 1.758 -4.034 1.00 34.51 H new ATOM 0 HA ILE A 14 3.918 -0.910 -4.324 1.00 33.12 H new ATOM 0 HB ILE A 14 2.703 -0.387 -2.132 1.00 14.24 H new ATOM 0 HG12 ILE A 14 1.358 -2.588 -2.234 1.00 71.44 H new ATOM 0 HG13 ILE A 14 1.896 -2.710 -3.897 1.00 71.44 H new ATOM 0 HG21 ILE A 14 0.235 -0.532 -2.169 1.00 65.43 H new ATOM 0 HG22 ILE A 14 0.838 0.903 -3.033 1.00 65.43 H new ATOM 0 HG23 ILE A 14 0.272 -0.515 -3.948 1.00 65.43 H new ATOM 0 HD11 ILE A 14 3.346 -4.005 -2.411 1.00 11.33 H new ATOM 0 HD12 ILE A 14 4.251 -2.665 -3.154 1.00 11.33 H new ATOM 0 HD13 ILE A 14 3.705 -2.541 -1.465 1.00 11.33 H new ATOM 232 N ARG A 15 2.222 -1.682 -6.127 1.00 62.31 N ATOM 233 CA ARG A 15 1.597 -1.927 -7.437 1.00 3.20 C ATOM 234 C ARG A 15 0.800 -3.247 -7.468 1.00 64.14 C ATOM 235 O ARG A 15 1.060 -4.157 -6.681 1.00 0.31 O ATOM 236 CB ARG A 15 2.690 -1.955 -8.521 1.00 20.04 C ATOM 237 CG ARG A 15 2.168 -2.145 -9.946 1.00 11.04 C ATOM 238 CD ARG A 15 1.456 -0.900 -10.468 1.00 72.33 C ATOM 239 NE ARG A 15 2.385 0.201 -10.704 1.00 22.33 N ATOM 240 CZ ARG A 15 2.029 1.388 -11.114 1.00 24.12 C ATOM 241 NH1 ARG A 15 0.784 1.677 -11.307 1.00 1.31 N ATOM 242 NH2 ARG A 15 2.928 2.291 -11.330 1.00 60.23 N ATOM 0 H ARG A 15 2.663 -2.502 -5.711 1.00 62.31 H new ATOM 0 HA ARG A 15 0.891 -1.118 -7.626 1.00 3.20 H new ATOM 0 HB2 ARG A 15 3.253 -1.023 -8.475 1.00 20.04 H new ATOM 0 HB3 ARG A 15 3.389 -2.760 -8.293 1.00 20.04 H new ATOM 0 HG2 ARG A 15 3.000 -2.390 -10.607 1.00 11.04 H new ATOM 0 HG3 ARG A 15 1.482 -2.991 -9.970 1.00 11.04 H new ATOM 0 HD2 ARG A 15 0.936 -1.141 -11.395 1.00 72.33 H new ATOM 0 HD3 ARG A 15 0.698 -0.588 -9.750 1.00 72.33 H new ATOM 0 HE ARG A 15 3.377 0.032 -10.538 1.00 22.33 H new ATOM 0 HH11 ARG A 15 0.065 0.973 -11.139 1.00 1.31 H new ATOM 0 HH12 ARG A 15 0.520 2.609 -11.628 1.00 1.31 H new ATOM 0 HH21 ARG A 15 3.914 2.075 -11.180 1.00 60.23 H new ATOM 0 HH22 ARG A 15 2.652 3.219 -11.650 1.00 60.23 H new ATOM 256 N ARG A 16 -0.180 -3.318 -8.385 1.00 61.25 N ATOM 257 CA ARG A 16 -0.940 -4.552 -8.678 1.00 65.40 C ATOM 258 C ARG A 16 -2.048 -4.849 -7.651 1.00 25.14 C ATOM 259 O ARG A 16 -2.604 -5.947 -7.643 1.00 64.40 O ATOM 260 CB ARG A 16 -0.003 -5.768 -8.821 1.00 31.33 C ATOM 261 CG ARG A 16 0.948 -5.676 -10.012 1.00 13.02 C ATOM 262 CD ARG A 16 0.207 -5.717 -11.345 1.00 51.24 C ATOM 263 NE ARG A 16 -0.380 -7.032 -11.607 1.00 32.12 N ATOM 264 CZ ARG A 16 -1.563 -7.221 -12.120 1.00 35.31 C ATOM 265 NH1 ARG A 16 -2.326 -6.220 -12.403 1.00 55.32 N ATOM 266 NH2 ARG A 16 -1.986 -8.420 -12.345 1.00 64.44 N ATOM 0 H ARG A 16 -0.471 -2.519 -8.948 1.00 61.25 H new ATOM 0 HA ARG A 16 -1.436 -4.371 -9.631 1.00 65.40 H new ATOM 0 HB2 ARG A 16 0.583 -5.873 -7.908 1.00 31.33 H new ATOM 0 HB3 ARG A 16 -0.606 -6.670 -8.919 1.00 31.33 H new ATOM 0 HG2 ARG A 16 1.522 -4.752 -9.946 1.00 13.02 H new ATOM 0 HG3 ARG A 16 1.662 -6.499 -9.969 1.00 13.02 H new ATOM 0 HD2 ARG A 16 -0.580 -4.962 -11.346 1.00 51.24 H new ATOM 0 HD3 ARG A 16 0.895 -5.461 -12.150 1.00 51.24 H new ATOM 0 HE ARG A 16 0.174 -7.856 -11.372 1.00 32.12 H new ATOM 0 HH11 ARG A 16 -2.005 -5.268 -12.226 1.00 55.32 H new ATOM 0 HH12 ARG A 16 -3.250 -6.380 -12.804 1.00 55.32 H new ATOM 0 HH21 ARG A 16 -1.394 -9.220 -12.121 1.00 64.44 H new ATOM 0 HH22 ARG A 16 -2.912 -8.567 -12.747 1.00 64.44 H new ATOM 280 N LEU A 17 -2.399 -3.864 -6.826 1.00 75.14 N ATOM 281 CA LEU A 17 -3.495 -4.019 -5.853 1.00 30.30 C ATOM 282 C LEU A 17 -4.874 -3.938 -6.538 1.00 14.22 C ATOM 283 O LEU A 17 -5.263 -2.879 -7.030 1.00 41.42 O ATOM 284 CB LEU A 17 -3.407 -2.944 -4.754 1.00 21.41 C ATOM 285 CG LEU A 17 -2.319 -3.154 -3.687 1.00 50.22 C ATOM 286 CD1 LEU A 17 -2.545 -4.463 -2.933 1.00 60.24 C ATOM 287 CD2 LEU A 17 -0.925 -3.120 -4.305 1.00 4.52 C ATOM 0 H LEU A 17 -1.946 -2.950 -6.807 1.00 75.14 H new ATOM 0 HA LEU A 17 -3.387 -5.006 -5.402 1.00 30.30 H new ATOM 0 HB2 LEU A 17 -3.238 -1.979 -5.231 1.00 21.41 H new ATOM 0 HB3 LEU A 17 -4.373 -2.887 -4.252 1.00 21.41 H new ATOM 0 HG LEU A 17 -2.388 -2.332 -2.975 1.00 50.22 H new ATOM 0 HD11 LEU A 17 -1.764 -4.591 -2.184 1.00 60.24 H new ATOM 0 HD12 LEU A 17 -3.518 -4.437 -2.442 1.00 60.24 H new ATOM 0 HD13 LEU A 17 -2.515 -5.297 -3.634 1.00 60.24 H new ATOM 0 HD21 LEU A 17 -0.178 -3.271 -3.526 1.00 4.52 H new ATOM 0 HD22 LEU A 17 -0.838 -3.911 -5.050 1.00 4.52 H new ATOM 0 HD23 LEU A 17 -0.762 -2.153 -4.781 1.00 4.52 H new ATOM 299 N PRO A 18 -5.628 -5.053 -6.588 1.00 30.04 N ATOM 300 CA PRO A 18 -6.975 -5.076 -7.170 1.00 34.41 C ATOM 301 C PRO A 18 -8.078 -4.713 -6.151 1.00 32.55 C ATOM 302 O PRO A 18 -7.897 -4.886 -4.943 1.00 3.31 O ATOM 303 CB PRO A 18 -7.105 -6.534 -7.620 1.00 13.42 C ATOM 304 CG PRO A 18 -6.320 -7.309 -6.612 1.00 73.41 C ATOM 305 CD PRO A 18 -5.231 -6.388 -6.098 1.00 22.31 C ATOM 0 HA PRO A 18 -7.099 -4.343 -7.967 1.00 34.41 H new ATOM 0 HB2 PRO A 18 -8.148 -6.851 -7.640 1.00 13.42 H new ATOM 0 HB3 PRO A 18 -6.709 -6.676 -8.626 1.00 13.42 H new ATOM 0 HG2 PRO A 18 -6.961 -7.641 -5.796 1.00 73.41 H new ATOM 0 HG3 PRO A 18 -5.889 -8.203 -7.063 1.00 73.41 H new ATOM 0 HD2 PRO A 18 -5.170 -6.411 -5.010 1.00 22.31 H new ATOM 0 HD3 PRO A 18 -4.251 -6.677 -6.479 1.00 22.31 H new ATOM 313 N PRO A 19 -9.235 -4.196 -6.624 1.00 61.41 N ATOM 314 CA PRO A 19 -10.372 -3.849 -5.744 1.00 21.24 C ATOM 315 C PRO A 19 -10.877 -5.044 -4.914 1.00 22.34 C ATOM 316 O PRO A 19 -11.343 -6.046 -5.461 1.00 53.34 O ATOM 317 CB PRO A 19 -11.457 -3.378 -6.728 1.00 54.01 C ATOM 318 CG PRO A 19 -10.707 -2.968 -7.953 1.00 12.41 C ATOM 319 CD PRO A 19 -9.527 -3.898 -8.040 1.00 40.25 C ATOM 0 HA PRO A 19 -10.091 -3.100 -5.004 1.00 21.24 H new ATOM 0 HB2 PRO A 19 -12.166 -4.176 -6.947 1.00 54.01 H new ATOM 0 HB3 PRO A 19 -12.030 -2.546 -6.318 1.00 54.01 H new ATOM 0 HG2 PRO A 19 -11.334 -3.048 -8.841 1.00 12.41 H new ATOM 0 HG3 PRO A 19 -10.383 -1.930 -7.884 1.00 12.41 H new ATOM 0 HD2 PRO A 19 -9.765 -4.801 -8.602 1.00 40.25 H new ATOM 0 HD3 PRO A 19 -8.678 -3.428 -8.537 1.00 40.25 H new ATOM 327 N GLY A 20 -10.769 -4.936 -3.590 1.00 23.41 N ATOM 328 CA GLY A 20 -11.228 -6.005 -2.710 1.00 72.01 C ATOM 329 C GLY A 20 -11.530 -5.526 -1.292 1.00 24.12 C ATOM 330 O GLY A 20 -12.564 -4.908 -1.048 1.00 15.32 O ATOM 0 H GLY A 20 -10.372 -4.128 -3.110 1.00 23.41 H new ATOM 0 HA2 GLY A 20 -12.125 -6.456 -3.134 1.00 72.01 H new ATOM 0 HA3 GLY A 20 -10.468 -6.785 -2.669 1.00 72.01 H new ATOM 334 N LEU A 21 -10.630 -5.820 -0.357 1.00 14.51 N ATOM 335 CA LEU A 21 -10.806 -5.419 1.048 1.00 25.13 C ATOM 336 C LEU A 21 -10.770 -3.889 1.229 1.00 22.03 C ATOM 337 O LEU A 21 -10.397 -3.141 0.321 1.00 23.20 O ATOM 338 CB LEU A 21 -9.736 -6.075 1.946 1.00 72.21 C ATOM 339 CG LEU A 21 -8.292 -5.542 1.818 1.00 75.31 C ATOM 340 CD1 LEU A 21 -7.388 -6.233 2.836 1.00 31.31 C ATOM 341 CD2 LEU A 21 -7.738 -5.721 0.403 1.00 13.32 C ATOM 0 H LEU A 21 -9.769 -6.335 -0.541 1.00 14.51 H new ATOM 0 HA LEU A 21 -11.794 -5.768 1.350 1.00 25.13 H new ATOM 0 HB2 LEU A 21 -10.049 -5.961 2.984 1.00 72.21 H new ATOM 0 HB3 LEU A 21 -9.723 -7.144 1.732 1.00 72.21 H new ATOM 0 HG LEU A 21 -8.315 -4.472 2.023 1.00 75.31 H new ATOM 0 HD11 LEU A 21 -6.372 -5.851 2.739 1.00 31.31 H new ATOM 0 HD12 LEU A 21 -7.755 -6.034 3.843 1.00 31.31 H new ATOM 0 HD13 LEU A 21 -7.391 -7.308 2.654 1.00 31.31 H new ATOM 0 HD21 LEU A 21 -6.721 -5.333 0.359 1.00 13.32 H new ATOM 0 HD22 LEU A 21 -7.734 -6.780 0.145 1.00 13.32 H new ATOM 0 HD23 LEU A 21 -8.365 -5.178 -0.304 1.00 13.32 H new ATOM 353 N THR A 22 -11.146 -3.440 2.423 1.00 52.31 N ATOM 354 CA THR A 22 -11.177 -2.011 2.751 1.00 31.04 C ATOM 355 C THR A 22 -9.811 -1.535 3.261 1.00 42.33 C ATOM 356 O THR A 22 -9.078 -2.296 3.900 1.00 74.33 O ATOM 357 CB THR A 22 -12.250 -1.703 3.832 1.00 40.34 C ATOM 358 OG1 THR A 22 -13.539 -2.150 3.389 1.00 41.20 O ATOM 359 CG2 THR A 22 -12.320 -0.211 4.146 1.00 21.43 C ATOM 0 H THR A 22 -11.437 -4.049 3.188 1.00 52.31 H new ATOM 0 HA THR A 22 -11.429 -1.480 1.833 1.00 31.04 H new ATOM 0 HB THR A 22 -11.962 -2.234 4.739 1.00 40.34 H new ATOM 0 HG1 THR A 22 -14.208 -1.953 4.078 1.00 41.20 H new ATOM 0 HG21 THR A 22 -13.081 -0.034 4.906 1.00 21.43 H new ATOM 0 HG22 THR A 22 -11.353 0.129 4.516 1.00 21.43 H new ATOM 0 HG23 THR A 22 -12.576 0.340 3.241 1.00 21.43 H new ATOM 367 N LYS A 23 -9.487 -0.270 2.988 1.00 14.10 N ATOM 368 CA LYS A 23 -8.222 0.345 3.424 1.00 64.04 C ATOM 369 C LYS A 23 -7.880 0.030 4.897 1.00 55.55 C ATOM 370 O LYS A 23 -6.713 -0.080 5.252 1.00 73.35 O ATOM 371 CB LYS A 23 -8.289 1.864 3.216 1.00 41.10 C ATOM 372 CG LYS A 23 -9.441 2.540 3.956 1.00 4.31 C ATOM 373 CD LYS A 23 -9.535 4.028 3.628 1.00 60.31 C ATOM 374 CE LYS A 23 -8.265 4.781 4.009 1.00 10.21 C ATOM 375 NZ LYS A 23 -8.386 6.239 3.747 1.00 40.23 N ATOM 0 H LYS A 23 -10.090 0.360 2.459 1.00 14.10 H new ATOM 0 HA LYS A 23 -7.427 -0.085 2.815 1.00 64.04 H new ATOM 0 HB2 LYS A 23 -7.349 2.308 3.545 1.00 41.10 H new ATOM 0 HB3 LYS A 23 -8.384 2.071 2.150 1.00 41.10 H new ATOM 0 HG2 LYS A 23 -10.378 2.050 3.692 1.00 4.31 H new ATOM 0 HG3 LYS A 23 -9.306 2.413 5.030 1.00 4.31 H new ATOM 0 HD2 LYS A 23 -9.724 4.152 2.562 1.00 60.31 H new ATOM 0 HD3 LYS A 23 -10.385 4.462 4.155 1.00 60.31 H new ATOM 0 HE2 LYS A 23 -8.049 4.618 5.065 1.00 10.21 H new ATOM 0 HE3 LYS A 23 -7.422 4.380 3.446 1.00 10.21 H new ATOM 0 HZ1 LYS A 23 -7.502 6.715 4.019 1.00 40.23 H new ATOM 0 HZ2 LYS A 23 -8.566 6.396 2.735 1.00 40.23 H new ATOM 0 HZ3 LYS A 23 -9.174 6.627 4.303 1.00 40.23 H new ATOM 389 N GLU A 24 -8.907 -0.133 5.734 1.00 14.44 N ATOM 390 CA GLU A 24 -8.725 -0.430 7.166 1.00 41.44 C ATOM 391 C GLU A 24 -7.860 -1.687 7.395 1.00 15.22 C ATOM 392 O GLU A 24 -6.977 -1.696 8.252 1.00 63.15 O ATOM 393 CB GLU A 24 -10.096 -0.620 7.828 1.00 10.11 C ATOM 394 CG GLU A 24 -11.037 0.569 7.652 1.00 45.32 C ATOM 395 CD GLU A 24 -12.448 0.278 8.135 1.00 14.13 C ATOM 396 OE1 GLU A 24 -13.175 -0.459 7.439 1.00 24.11 O ATOM 397 OE2 GLU A 24 -12.837 0.781 9.212 1.00 64.44 O ATOM 0 H GLU A 24 -9.883 -0.065 5.446 1.00 14.44 H new ATOM 0 HA GLU A 24 -8.202 0.414 7.615 1.00 41.44 H new ATOM 0 HB2 GLU A 24 -10.569 -1.510 7.413 1.00 10.11 H new ATOM 0 HB3 GLU A 24 -9.952 -0.803 8.893 1.00 10.11 H new ATOM 0 HG2 GLU A 24 -10.640 1.425 8.198 1.00 45.32 H new ATOM 0 HG3 GLU A 24 -11.069 0.849 6.599 1.00 45.32 H new ATOM 404 N GLN A 25 -8.128 -2.746 6.631 1.00 13.35 N ATOM 405 CA GLN A 25 -7.371 -4.009 6.739 1.00 31.55 C ATOM 406 C GLN A 25 -6.347 -4.140 5.606 1.00 20.30 C ATOM 407 O GLN A 25 -5.662 -5.152 5.480 1.00 53.14 O ATOM 408 CB GLN A 25 -8.335 -5.201 6.680 1.00 11.14 C ATOM 409 CG GLN A 25 -9.412 -5.182 7.753 1.00 24.30 C ATOM 410 CD GLN A 25 -10.475 -6.243 7.523 1.00 62.43 C ATOM 411 OE1 GLN A 25 -10.353 -7.377 7.977 1.00 10.34 O ATOM 412 NE2 GLN A 25 -11.520 -5.887 6.806 1.00 74.34 N ATOM 0 H GLN A 25 -8.865 -2.761 5.926 1.00 13.35 H new ATOM 0 HA GLN A 25 -6.841 -4.001 7.692 1.00 31.55 H new ATOM 0 HB2 GLN A 25 -8.813 -5.220 5.701 1.00 11.14 H new ATOM 0 HB3 GLN A 25 -7.761 -6.123 6.772 1.00 11.14 H new ATOM 0 HG2 GLN A 25 -8.952 -5.337 8.729 1.00 24.30 H new ATOM 0 HG3 GLN A 25 -9.882 -4.199 7.775 1.00 24.30 H new ATOM 0 HE21 GLN A 25 -11.590 -4.936 6.444 1.00 74.34 H new ATOM 0 HE22 GLN A 25 -12.260 -6.562 6.613 1.00 74.34 H new ATOM 421 N LEU A 26 -6.281 -3.116 4.772 1.00 52.01 N ATOM 422 CA LEU A 26 -5.365 -3.078 3.632 1.00 73.20 C ATOM 423 C LEU A 26 -4.120 -2.224 3.944 1.00 75.22 C ATOM 424 O LEU A 26 -3.039 -2.443 3.392 1.00 34.41 O ATOM 425 CB LEU A 26 -6.134 -2.542 2.414 1.00 20.30 C ATOM 426 CG LEU A 26 -5.285 -2.004 1.251 1.00 0.33 C ATOM 427 CD1 LEU A 26 -4.582 -3.147 0.520 1.00 15.01 C ATOM 428 CD2 LEU A 26 -6.147 -1.188 0.291 1.00 73.34 C ATOM 0 H LEU A 26 -6.861 -2.282 4.862 1.00 52.01 H new ATOM 0 HA LEU A 26 -5.000 -4.082 3.415 1.00 73.20 H new ATOM 0 HB2 LEU A 26 -6.769 -3.342 2.032 1.00 20.30 H new ATOM 0 HB3 LEU A 26 -6.795 -1.744 2.752 1.00 20.30 H new ATOM 0 HG LEU A 26 -4.518 -1.346 1.660 1.00 0.33 H new ATOM 0 HD11 LEU A 26 -3.987 -2.743 -0.299 1.00 15.01 H new ATOM 0 HD12 LEU A 26 -3.931 -3.677 1.215 1.00 15.01 H new ATOM 0 HD13 LEU A 26 -5.326 -3.837 0.122 1.00 15.01 H new ATOM 0 HD21 LEU A 26 -5.529 -0.815 -0.526 1.00 73.34 H new ATOM 0 HD22 LEU A 26 -6.939 -1.819 -0.112 1.00 73.34 H new ATOM 0 HD23 LEU A 26 -6.589 -0.347 0.825 1.00 73.34 H new ATOM 440 N GLU A 27 -4.280 -1.265 4.849 1.00 14.42 N ATOM 441 CA GLU A 27 -3.177 -0.405 5.292 1.00 72.32 C ATOM 442 C GLU A 27 -2.140 -1.191 6.114 1.00 12.01 C ATOM 443 O GLU A 27 -0.934 -1.027 5.937 1.00 1.32 O ATOM 444 CB GLU A 27 -3.737 0.740 6.151 1.00 63.13 C ATOM 445 CG GLU A 27 -4.496 0.249 7.388 1.00 61.32 C ATOM 446 CD GLU A 27 -5.181 1.356 8.176 1.00 22.52 C ATOM 447 OE1 GLU A 27 -5.822 2.230 7.555 1.00 73.12 O ATOM 448 OE2 GLU A 27 -5.091 1.347 9.424 1.00 5.02 O ATOM 0 H GLU A 27 -5.172 -1.058 5.298 1.00 14.42 H new ATOM 0 HA GLU A 27 -2.681 -0.010 4.405 1.00 72.32 H new ATOM 0 HB2 GLU A 27 -2.916 1.383 6.468 1.00 63.13 H new ATOM 0 HB3 GLU A 27 -4.404 1.350 5.542 1.00 63.13 H new ATOM 0 HG2 GLU A 27 -5.246 -0.478 7.076 1.00 61.32 H new ATOM 0 HG3 GLU A 27 -3.800 -0.273 8.045 1.00 61.32 H new ATOM 455 N GLU A 28 -2.633 -2.061 6.993 1.00 23.52 N ATOM 456 CA GLU A 28 -1.807 -2.727 8.009 1.00 24.15 C ATOM 457 C GLU A 28 -0.659 -3.571 7.412 1.00 61.14 C ATOM 458 O GLU A 28 0.369 -3.772 8.063 1.00 64.30 O ATOM 459 CB GLU A 28 -2.706 -3.592 8.913 1.00 71.23 C ATOM 460 CG GLU A 28 -3.582 -4.580 8.158 1.00 71.31 C ATOM 461 CD GLU A 28 -4.379 -5.483 9.085 1.00 53.43 C ATOM 462 OE1 GLU A 28 -5.229 -4.968 9.842 1.00 32.22 O ATOM 463 OE2 GLU A 28 -4.149 -6.708 9.071 1.00 60.43 O ATOM 0 H GLU A 28 -3.617 -2.327 7.024 1.00 23.52 H new ATOM 0 HA GLU A 28 -1.326 -1.945 8.596 1.00 24.15 H new ATOM 0 HB2 GLU A 28 -2.077 -4.142 9.613 1.00 71.23 H new ATOM 0 HB3 GLU A 28 -3.344 -2.937 9.506 1.00 71.23 H new ATOM 0 HG2 GLU A 28 -4.268 -4.032 7.513 1.00 71.31 H new ATOM 0 HG3 GLU A 28 -2.956 -5.193 7.510 1.00 71.31 H new ATOM 470 N GLN A 29 -0.827 -4.068 6.188 1.00 0.11 N ATOM 471 CA GLN A 29 0.234 -4.846 5.525 1.00 73.32 C ATOM 472 C GLN A 29 1.083 -3.970 4.591 1.00 3.23 C ATOM 473 O GLN A 29 2.244 -4.281 4.326 1.00 63.01 O ATOM 474 CB GLN A 29 -0.336 -6.056 4.751 1.00 53.12 C ATOM 475 CG GLN A 29 -1.339 -5.721 3.641 1.00 42.14 C ATOM 476 CD GLN A 29 -2.762 -5.560 4.150 1.00 42.14 C ATOM 477 OE1 GLN A 29 -2.992 -5.131 5.267 1.00 11.34 O ATOM 478 NE2 GLN A 29 -3.733 -5.910 3.333 1.00 31.41 N ATOM 0 H GLN A 29 -1.676 -3.951 5.635 1.00 0.11 H new ATOM 0 HA GLN A 29 0.879 -5.225 6.317 1.00 73.32 H new ATOM 0 HB2 GLN A 29 0.495 -6.607 4.311 1.00 53.12 H new ATOM 0 HB3 GLN A 29 -0.820 -6.725 5.463 1.00 53.12 H new ATOM 0 HG2 GLN A 29 -1.030 -4.800 3.147 1.00 42.14 H new ATOM 0 HG3 GLN A 29 -1.316 -6.510 2.889 1.00 42.14 H new ATOM 0 HE21 GLN A 29 -3.513 -6.266 2.403 1.00 31.41 H new ATOM 0 HE22 GLN A 29 -4.705 -5.825 3.630 1.00 31.41 H new ATOM 487 N LEU A 30 0.509 -2.873 4.099 1.00 74.12 N ATOM 488 CA LEU A 30 1.239 -1.960 3.212 1.00 11.21 C ATOM 489 C LEU A 30 2.076 -0.935 4.004 1.00 70.24 C ATOM 490 O LEU A 30 3.004 -0.330 3.464 1.00 23.21 O ATOM 491 CB LEU A 30 0.268 -1.238 2.266 1.00 74.51 C ATOM 492 CG LEU A 30 -0.544 -2.153 1.332 1.00 1.33 C ATOM 493 CD1 LEU A 30 -1.424 -1.329 0.394 1.00 5.34 C ATOM 494 CD2 LEU A 30 0.377 -3.082 0.539 1.00 44.52 C ATOM 0 H LEU A 30 -0.452 -2.594 4.296 1.00 74.12 H new ATOM 0 HA LEU A 30 1.929 -2.563 2.622 1.00 11.21 H new ATOM 0 HB2 LEU A 30 -0.427 -0.650 2.865 1.00 74.51 H new ATOM 0 HB3 LEU A 30 0.836 -0.536 1.656 1.00 74.51 H new ATOM 0 HG LEU A 30 -1.195 -2.772 1.950 1.00 1.33 H new ATOM 0 HD11 LEU A 30 -1.988 -1.997 -0.256 1.00 5.34 H new ATOM 0 HD12 LEU A 30 -2.116 -0.725 0.981 1.00 5.34 H new ATOM 0 HD13 LEU A 30 -0.797 -0.676 -0.213 1.00 5.34 H new ATOM 0 HD21 LEU A 30 -0.222 -3.718 -0.113 1.00 44.52 H new ATOM 0 HD22 LEU A 30 1.062 -2.487 -0.064 1.00 44.52 H new ATOM 0 HD23 LEU A 30 0.947 -3.704 1.229 1.00 44.52 H new ATOM 506 N ARG A 31 1.753 -0.735 5.283 1.00 1.12 N ATOM 507 CA ARG A 31 2.546 0.161 6.139 1.00 23.43 C ATOM 508 C ARG A 31 2.800 -0.415 7.548 1.00 10.24 C ATOM 509 O ARG A 31 2.360 0.153 8.551 1.00 14.45 O ATOM 510 CB ARG A 31 1.899 1.555 6.236 1.00 34.20 C ATOM 511 CG ARG A 31 0.424 1.565 6.650 1.00 15.04 C ATOM 512 CD ARG A 31 0.024 2.931 7.200 1.00 20.31 C ATOM 513 NE ARG A 31 -1.422 3.097 7.366 1.00 64.51 N ATOM 514 CZ ARG A 31 -2.001 3.385 8.503 1.00 42.30 C ATOM 515 NH1 ARG A 31 -1.331 3.348 9.612 1.00 33.54 N ATOM 516 NH2 ARG A 31 -3.264 3.667 8.530 1.00 31.23 N ATOM 0 H ARG A 31 0.958 -1.174 5.748 1.00 1.12 H new ATOM 0 HA ARG A 31 3.519 0.255 5.656 1.00 23.43 H new ATOM 0 HB2 ARG A 31 2.464 2.151 6.953 1.00 34.20 H new ATOM 0 HB3 ARG A 31 1.991 2.048 5.268 1.00 34.20 H new ATOM 0 HG2 ARG A 31 -0.201 1.316 5.792 1.00 15.04 H new ATOM 0 HG3 ARG A 31 0.248 0.799 7.405 1.00 15.04 H new ATOM 0 HD2 ARG A 31 0.511 3.082 8.163 1.00 20.31 H new ATOM 0 HD3 ARG A 31 0.395 3.706 6.530 1.00 20.31 H new ATOM 0 HE ARG A 31 -2.014 2.981 6.544 1.00 64.51 H new ATOM 0 HH11 ARG A 31 -0.344 3.093 9.603 1.00 33.54 H new ATOM 0 HH12 ARG A 31 -1.791 3.574 10.494 1.00 33.54 H new ATOM 0 HH21 ARG A 31 -3.806 3.664 7.666 1.00 31.23 H new ATOM 0 HH22 ARG A 31 -3.718 3.892 9.416 1.00 31.23 H new ATOM 530 N PRO A 32 3.525 -1.551 7.647 1.00 34.41 N ATOM 531 CA PRO A 32 3.970 -2.105 8.931 1.00 13.13 C ATOM 532 C PRO A 32 5.403 -1.667 9.305 1.00 54.02 C ATOM 533 O PRO A 32 6.102 -2.351 10.054 1.00 50.30 O ATOM 534 CB PRO A 32 3.913 -3.605 8.648 1.00 24.43 C ATOM 535 CG PRO A 32 4.309 -3.733 7.207 1.00 43.11 C ATOM 536 CD PRO A 32 3.931 -2.430 6.529 1.00 1.12 C ATOM 0 HA PRO A 32 3.364 -1.774 9.775 1.00 13.13 H new ATOM 0 HB2 PRO A 32 4.593 -4.157 9.297 1.00 24.43 H new ATOM 0 HB3 PRO A 32 2.913 -4.004 8.821 1.00 24.43 H new ATOM 0 HG2 PRO A 32 5.379 -3.920 7.116 1.00 43.11 H new ATOM 0 HG3 PRO A 32 3.798 -4.574 6.739 1.00 43.11 H new ATOM 0 HD2 PRO A 32 4.771 -2.010 5.975 1.00 1.12 H new ATOM 0 HD3 PRO A 32 3.118 -2.572 5.817 1.00 1.12 H new ATOM 544 N LEU A 33 5.834 -0.518 8.776 1.00 31.32 N ATOM 545 CA LEU A 33 7.197 -0.011 9.011 1.00 24.22 C ATOM 546 C LEU A 33 7.326 0.697 10.373 1.00 72.21 C ATOM 547 O LEU A 33 6.359 1.285 10.870 1.00 13.40 O ATOM 548 CB LEU A 33 7.627 0.952 7.889 1.00 32.42 C ATOM 549 CG LEU A 33 7.804 0.326 6.493 1.00 13.52 C ATOM 550 CD1 LEU A 33 6.456 0.026 5.845 1.00 33.43 C ATOM 551 CD2 LEU A 33 8.647 1.231 5.599 1.00 31.12 C ATOM 0 H LEU A 33 5.262 0.082 8.182 1.00 31.32 H new ATOM 0 HA LEU A 33 7.856 -0.879 9.016 1.00 24.22 H new ATOM 0 HB2 LEU A 33 6.886 1.748 7.817 1.00 32.42 H new ATOM 0 HB3 LEU A 33 8.569 1.418 8.178 1.00 32.42 H new ATOM 0 HG LEU A 33 8.330 -0.621 6.616 1.00 13.52 H new ATOM 0 HD11 LEU A 33 6.615 -0.415 4.861 1.00 33.43 H new ATOM 0 HD12 LEU A 33 5.899 -0.672 6.470 1.00 33.43 H new ATOM 0 HD13 LEU A 33 5.889 0.951 5.740 1.00 33.43 H new ATOM 0 HD21 LEU A 33 8.760 0.770 4.618 1.00 31.12 H new ATOM 0 HD22 LEU A 33 8.154 2.197 5.492 1.00 31.12 H new ATOM 0 HD23 LEU A 33 9.630 1.373 6.048 1.00 31.12 H new ATOM 563 N PRO A 34 8.534 0.671 10.978 1.00 11.02 N ATOM 564 CA PRO A 34 8.783 1.266 12.308 1.00 23.54 C ATOM 565 C PRO A 34 8.481 2.777 12.379 1.00 44.12 C ATOM 566 O PRO A 34 7.794 3.235 13.296 1.00 22.33 O ATOM 567 CB PRO A 34 10.281 1.005 12.551 1.00 32.54 C ATOM 568 CG PRO A 34 10.852 0.726 11.201 1.00 72.22 C ATOM 569 CD PRO A 34 9.757 0.053 10.423 1.00 60.13 C ATOM 0 HA PRO A 34 8.126 0.826 13.059 1.00 23.54 H new ATOM 0 HB2 PRO A 34 10.762 1.868 13.011 1.00 32.54 H new ATOM 0 HB3 PRO A 34 10.430 0.161 13.224 1.00 32.54 H new ATOM 0 HG2 PRO A 34 11.169 1.648 10.713 1.00 72.22 H new ATOM 0 HG3 PRO A 34 11.731 0.085 11.273 1.00 72.22 H new ATOM 0 HD2 PRO A 34 9.852 0.234 9.352 1.00 60.13 H new ATOM 0 HD3 PRO A 34 9.765 -1.028 10.566 1.00 60.13 H new ATOM 577 N ALA A 35 9.001 3.554 11.425 1.00 41.33 N ATOM 578 CA ALA A 35 8.818 5.014 11.442 1.00 62.54 C ATOM 579 C ALA A 35 9.008 5.642 10.051 1.00 53.21 C ATOM 580 O ALA A 35 10.133 5.766 9.561 1.00 74.10 O ATOM 581 CB ALA A 35 9.781 5.650 12.444 1.00 73.13 C ATOM 0 H ALA A 35 9.547 3.205 10.638 1.00 41.33 H new ATOM 0 HA ALA A 35 7.790 5.210 11.747 1.00 62.54 H new ATOM 0 HB1 ALA A 35 9.639 6.731 12.450 1.00 73.13 H new ATOM 0 HB2 ALA A 35 9.585 5.253 13.440 1.00 73.13 H new ATOM 0 HB3 ALA A 35 10.808 5.421 12.158 1.00 73.13 H new ATOM 587 N HIS A 36 7.901 6.031 9.420 1.00 61.50 N ATOM 588 CA HIS A 36 7.935 6.694 8.107 1.00 2.02 C ATOM 589 C HIS A 36 6.546 7.247 7.751 1.00 22.43 C ATOM 590 O HIS A 36 5.600 7.118 8.530 1.00 60.42 O ATOM 591 CB HIS A 36 8.412 5.719 7.014 1.00 21.53 C ATOM 592 CG HIS A 36 7.352 4.773 6.527 1.00 30.42 C ATOM 593 ND1 HIS A 36 6.434 4.169 7.360 1.00 32.34 N ATOM 594 CD2 HIS A 36 7.039 4.364 5.273 1.00 40.11 C ATOM 595 CE1 HIS A 36 5.604 3.439 6.645 1.00 33.25 C ATOM 596 NE2 HIS A 36 5.947 3.537 5.376 1.00 64.22 N ATOM 0 H HIS A 36 6.962 5.900 9.796 1.00 61.50 H new ATOM 0 HA HIS A 36 8.641 7.522 8.163 1.00 2.02 H new ATOM 0 HB2 HIS A 36 8.786 6.295 6.167 1.00 21.53 H new ATOM 0 HB3 HIS A 36 9.250 5.140 7.401 1.00 21.53 H new ATOM 0 HD2 HIS A 36 7.552 4.637 4.363 1.00 40.11 H new ATOM 0 HE1 HIS A 36 4.781 2.858 7.033 1.00 33.25 H new ATOM 0 HE2 HIS A 36 5.478 3.074 4.597 1.00 64.22 H new ATOM 605 N ASP A 37 6.426 7.852 6.573 1.00 3.13 N ATOM 606 CA ASP A 37 5.145 8.390 6.103 1.00 52.34 C ATOM 607 C ASP A 37 4.303 7.297 5.405 1.00 61.23 C ATOM 608 O ASP A 37 4.758 6.166 5.228 1.00 51.11 O ATOM 609 CB ASP A 37 5.408 9.566 5.154 1.00 71.31 C ATOM 610 CG ASP A 37 4.188 10.445 4.963 1.00 43.44 C ATOM 611 OD1 ASP A 37 3.956 11.335 5.809 1.00 23.35 O ATOM 612 OD2 ASP A 37 3.456 10.250 3.973 1.00 3.32 O ATOM 0 H ASP A 37 7.200 7.984 5.922 1.00 3.13 H new ATOM 0 HA ASP A 37 4.572 8.741 6.961 1.00 52.34 H new ATOM 0 HB2 ASP A 37 6.227 10.168 5.546 1.00 71.31 H new ATOM 0 HB3 ASP A 37 5.730 9.182 4.186 1.00 71.31 H new ATOM 617 N TYR A 38 3.075 7.636 5.015 1.00 11.00 N ATOM 618 CA TYR A 38 2.167 6.673 4.374 1.00 43.32 C ATOM 619 C TYR A 38 1.166 7.374 3.439 1.00 42.43 C ATOM 620 O TYR A 38 0.615 8.426 3.770 1.00 32.45 O ATOM 621 CB TYR A 38 1.428 5.840 5.439 1.00 43.52 C ATOM 622 CG TYR A 38 0.863 6.654 6.594 1.00 51.14 C ATOM 623 CD1 TYR A 38 1.650 6.959 7.701 1.00 34.00 C ATOM 624 CD2 TYR A 38 -0.452 7.115 6.581 1.00 14.01 C ATOM 625 CE1 TYR A 38 1.148 7.694 8.756 1.00 23.24 C ATOM 626 CE2 TYR A 38 -0.960 7.851 7.636 1.00 43.24 C ATOM 627 CZ TYR A 38 -0.155 8.136 8.718 1.00 63.02 C ATOM 628 OH TYR A 38 -0.656 8.866 9.770 1.00 60.43 O ATOM 0 H TYR A 38 2.681 8.570 5.130 1.00 11.00 H new ATOM 0 HA TYR A 38 2.771 6.002 3.763 1.00 43.32 H new ATOM 0 HB2 TYR A 38 0.612 5.300 4.958 1.00 43.52 H new ATOM 0 HB3 TYR A 38 2.114 5.093 5.838 1.00 43.52 H new ATOM 0 HD1 TYR A 38 2.673 6.614 7.735 1.00 34.00 H new ATOM 0 HD2 TYR A 38 -1.084 6.894 5.734 1.00 14.01 H new ATOM 0 HE1 TYR A 38 1.774 7.921 9.606 1.00 23.24 H new ATOM 0 HE2 TYR A 38 -1.982 8.200 7.612 1.00 43.24 H new ATOM 0 HH TYR A 38 -1.589 9.103 9.589 1.00 60.43 H new ATOM 638 N PHE A 39 0.939 6.777 2.270 1.00 25.33 N ATOM 639 CA PHE A 39 0.077 7.371 1.244 1.00 52.14 C ATOM 640 C PHE A 39 -1.361 6.819 1.342 1.00 62.25 C ATOM 641 O PHE A 39 -1.665 6.017 2.225 1.00 61.02 O ATOM 642 CB PHE A 39 0.681 7.100 -0.148 1.00 63.00 C ATOM 643 CG PHE A 39 0.477 8.222 -1.136 1.00 64.11 C ATOM 644 CD1 PHE A 39 1.294 9.342 -1.103 1.00 40.10 C ATOM 645 CD2 PHE A 39 -0.526 8.160 -2.093 1.00 43.01 C ATOM 646 CE1 PHE A 39 1.115 10.375 -2.004 1.00 10.23 C ATOM 647 CE2 PHE A 39 -0.708 9.189 -2.994 1.00 62.11 C ATOM 648 CZ PHE A 39 0.112 10.299 -2.951 1.00 64.00 C ATOM 0 H PHE A 39 1.342 5.877 2.007 1.00 25.33 H new ATOM 0 HA PHE A 39 0.022 8.448 1.404 1.00 52.14 H new ATOM 0 HB2 PHE A 39 1.750 6.916 -0.039 1.00 63.00 H new ATOM 0 HB3 PHE A 39 0.240 6.189 -0.553 1.00 63.00 H new ATOM 0 HD1 PHE A 39 2.079 9.408 -0.365 1.00 40.10 H new ATOM 0 HD2 PHE A 39 -1.172 7.296 -2.133 1.00 43.01 H new ATOM 0 HE1 PHE A 39 1.759 11.241 -1.968 1.00 10.23 H new ATOM 0 HE2 PHE A 39 -1.493 9.126 -3.734 1.00 62.11 H new ATOM 0 HZ PHE A 39 -0.030 11.105 -3.655 1.00 64.00 H new ATOM 658 N GLU A 40 -2.239 7.258 0.443 1.00 44.03 N ATOM 659 CA GLU A 40 -3.651 6.845 0.463 1.00 51.31 C ATOM 660 C GLU A 40 -3.842 5.362 0.085 1.00 40.13 C ATOM 661 O GLU A 40 -3.062 4.784 -0.679 1.00 62.34 O ATOM 662 CB GLU A 40 -4.474 7.728 -0.490 1.00 63.33 C ATOM 663 CG GLU A 40 -4.028 7.639 -1.948 1.00 53.54 C ATOM 664 CD GLU A 40 -4.930 8.416 -2.892 1.00 12.11 C ATOM 665 OE1 GLU A 40 -4.831 9.663 -2.932 1.00 54.50 O ATOM 666 OE2 GLU A 40 -5.735 7.786 -3.610 1.00 54.44 O ATOM 0 H GLU A 40 -2.002 7.901 -0.312 1.00 44.03 H new ATOM 0 HA GLU A 40 -4.002 6.969 1.487 1.00 51.31 H new ATOM 0 HB2 GLU A 40 -5.523 7.441 -0.422 1.00 63.33 H new ATOM 0 HB3 GLU A 40 -4.405 8.765 -0.161 1.00 63.33 H new ATOM 0 HG2 GLU A 40 -3.009 8.017 -2.034 1.00 53.54 H new ATOM 0 HG3 GLU A 40 -4.007 6.593 -2.253 1.00 53.54 H new ATOM 673 N PHE A 41 -4.900 4.757 0.629 1.00 74.14 N ATOM 674 CA PHE A 41 -5.268 3.369 0.315 1.00 11.41 C ATOM 675 C PHE A 41 -6.724 3.310 -0.184 1.00 62.22 C ATOM 676 O PHE A 41 -7.593 4.007 0.347 1.00 60.21 O ATOM 677 CB PHE A 41 -5.099 2.482 1.560 1.00 22.13 C ATOM 678 CG PHE A 41 -3.727 2.565 2.192 1.00 50.54 C ATOM 679 CD1 PHE A 41 -2.660 1.848 1.672 1.00 23.54 C ATOM 680 CD2 PHE A 41 -3.507 3.362 3.307 1.00 65.00 C ATOM 681 CE1 PHE A 41 -1.406 1.924 2.248 1.00 12.32 C ATOM 682 CE2 PHE A 41 -2.255 3.439 3.887 1.00 20.20 C ATOM 683 CZ PHE A 41 -1.204 2.720 3.356 1.00 41.20 C ATOM 0 H PHE A 41 -5.525 5.210 1.296 1.00 74.14 H new ATOM 0 HA PHE A 41 -4.610 2.999 -0.471 1.00 11.41 H new ATOM 0 HB2 PHE A 41 -5.847 2.766 2.300 1.00 22.13 H new ATOM 0 HB3 PHE A 41 -5.300 1.446 1.286 1.00 22.13 H new ATOM 0 HD1 PHE A 41 -2.811 1.222 0.805 1.00 23.54 H new ATOM 0 HD2 PHE A 41 -4.325 3.929 3.727 1.00 65.00 H new ATOM 0 HE1 PHE A 41 -0.585 1.360 1.831 1.00 12.32 H new ATOM 0 HE2 PHE A 41 -2.099 4.062 4.756 1.00 20.20 H new ATOM 0 HZ PHE A 41 -0.225 2.780 3.807 1.00 41.20 H new ATOM 693 N PHE A 42 -6.993 2.482 -1.195 1.00 14.01 N ATOM 694 CA PHE A 42 -8.329 2.432 -1.812 1.00 70.11 C ATOM 695 C PHE A 42 -9.378 1.803 -0.879 1.00 4.31 C ATOM 696 O PHE A 42 -9.046 1.088 0.069 1.00 53.52 O ATOM 697 CB PHE A 42 -8.287 1.675 -3.156 1.00 21.41 C ATOM 698 CG PHE A 42 -8.041 0.185 -3.044 1.00 51.03 C ATOM 699 CD1 PHE A 42 -9.102 -0.699 -2.890 1.00 64.41 C ATOM 700 CD2 PHE A 42 -6.754 -0.330 -3.107 1.00 23.05 C ATOM 701 CE1 PHE A 42 -8.881 -2.062 -2.797 1.00 5.51 C ATOM 702 CE2 PHE A 42 -6.530 -1.692 -3.013 1.00 42.24 C ATOM 703 CZ PHE A 42 -7.594 -2.558 -2.859 1.00 23.11 C ATOM 0 H PHE A 42 -6.314 1.841 -1.604 1.00 14.01 H new ATOM 0 HA PHE A 42 -8.630 3.463 -1.996 1.00 70.11 H new ATOM 0 HB2 PHE A 42 -9.232 1.834 -3.675 1.00 21.41 H new ATOM 0 HB3 PHE A 42 -7.505 2.111 -3.777 1.00 21.41 H new ATOM 0 HD1 PHE A 42 -10.111 -0.318 -2.842 1.00 64.41 H new ATOM 0 HD2 PHE A 42 -5.917 0.341 -3.231 1.00 23.05 H new ATOM 0 HE1 PHE A 42 -9.715 -2.737 -2.676 1.00 5.51 H new ATOM 0 HE2 PHE A 42 -5.522 -2.078 -3.060 1.00 42.24 H new ATOM 0 HZ PHE A 42 -7.420 -3.621 -2.787 1.00 23.11 H new ATOM 713 N ALA A 43 -10.649 2.079 -1.160 1.00 22.32 N ATOM 714 CA ALA A 43 -11.760 1.521 -0.386 1.00 50.21 C ATOM 715 C ALA A 43 -12.824 0.912 -1.310 1.00 1.44 C ATOM 716 O ALA A 43 -13.504 1.626 -2.050 1.00 42.15 O ATOM 717 CB ALA A 43 -12.375 2.600 0.500 1.00 74.20 C ATOM 0 H ALA A 43 -10.939 2.690 -1.923 1.00 22.32 H new ATOM 0 HA ALA A 43 -11.371 0.724 0.248 1.00 50.21 H new ATOM 0 HB1 ALA A 43 -13.200 2.175 1.071 1.00 74.20 H new ATOM 0 HB2 ALA A 43 -11.619 2.983 1.185 1.00 74.20 H new ATOM 0 HB3 ALA A 43 -12.746 3.414 -0.123 1.00 74.20 H new ATOM 723 N ALA A 44 -12.952 -0.411 -1.273 1.00 73.03 N ATOM 724 CA ALA A 44 -13.936 -1.127 -2.096 1.00 60.14 C ATOM 725 C ALA A 44 -14.494 -2.344 -1.348 1.00 5.31 C ATOM 726 O ALA A 44 -14.135 -2.589 -0.195 1.00 43.24 O ATOM 727 CB ALA A 44 -13.309 -1.557 -3.420 1.00 0.12 C ATOM 0 H ALA A 44 -12.385 -1.017 -0.680 1.00 73.03 H new ATOM 0 HA ALA A 44 -14.763 -0.449 -2.305 1.00 60.14 H new ATOM 0 HB1 ALA A 44 -14.050 -2.086 -4.019 1.00 0.12 H new ATOM 0 HB2 ALA A 44 -12.966 -0.676 -3.963 1.00 0.12 H new ATOM 0 HB3 ALA A 44 -12.463 -2.216 -3.225 1.00 0.12 H new ATOM 733 N ASP A 45 -15.389 -3.087 -1.996 1.00 32.32 N ATOM 734 CA ASP A 45 -15.931 -4.322 -1.415 1.00 22.43 C ATOM 735 C ASP A 45 -15.408 -5.564 -2.158 1.00 20.43 C ATOM 736 O ASP A 45 -15.300 -5.570 -3.388 1.00 45.00 O ATOM 737 CB ASP A 45 -17.461 -4.290 -1.440 1.00 13.32 C ATOM 738 CG ASP A 45 -18.069 -5.535 -0.822 1.00 42.40 C ATOM 739 OD1 ASP A 45 -17.953 -5.709 0.412 1.00 74.34 O ATOM 740 OD2 ASP A 45 -18.649 -6.355 -1.565 1.00 44.11 O ATOM 0 H ASP A 45 -15.756 -2.860 -2.920 1.00 32.32 H new ATOM 0 HA ASP A 45 -15.595 -4.385 -0.380 1.00 22.43 H new ATOM 0 HB2 ASP A 45 -17.813 -3.410 -0.902 1.00 13.32 H new ATOM 0 HB3 ASP A 45 -17.804 -4.193 -2.470 1.00 13.32 H new ATOM 745 N LEU A 46 -15.108 -6.619 -1.403 1.00 31.40 N ATOM 746 CA LEU A 46 -14.537 -7.854 -1.963 1.00 22.14 C ATOM 747 C LEU A 46 -15.601 -8.749 -2.636 1.00 32.33 C ATOM 748 O LEU A 46 -15.749 -9.931 -2.313 1.00 14.24 O ATOM 749 CB LEU A 46 -13.760 -8.618 -0.866 1.00 54.34 C ATOM 750 CG LEU A 46 -14.357 -8.569 0.560 1.00 23.31 C ATOM 751 CD1 LEU A 46 -15.693 -9.305 0.647 1.00 73.54 C ATOM 752 CD2 LEU A 46 -13.361 -9.131 1.572 1.00 12.32 C ATOM 0 H LEU A 46 -15.250 -6.648 -0.393 1.00 31.40 H new ATOM 0 HA LEU A 46 -13.843 -7.571 -2.754 1.00 22.14 H new ATOM 0 HB2 LEU A 46 -13.681 -9.662 -1.168 1.00 54.34 H new ATOM 0 HB3 LEU A 46 -12.746 -8.220 -0.826 1.00 54.34 H new ATOM 0 HG LEU A 46 -14.551 -7.524 0.800 1.00 23.31 H new ATOM 0 HD11 LEU A 46 -16.076 -9.245 1.666 1.00 73.54 H new ATOM 0 HD12 LEU A 46 -16.407 -8.845 -0.036 1.00 73.54 H new ATOM 0 HD13 LEU A 46 -15.551 -10.351 0.374 1.00 73.54 H new ATOM 0 HD21 LEU A 46 -13.795 -9.090 2.571 1.00 12.32 H new ATOM 0 HD22 LEU A 46 -13.130 -10.166 1.319 1.00 12.32 H new ATOM 0 HD23 LEU A 46 -12.446 -8.539 1.549 1.00 12.32 H new ATOM 866 N TYR A 53 -12.295 0.013 -10.725 1.00 1.14 N ATOM 867 CA TYR A 53 -10.834 0.072 -10.874 1.00 63.22 C ATOM 868 C TYR A 53 -10.203 0.976 -9.798 1.00 44.43 C ATOM 869 O TYR A 53 -10.519 2.165 -9.697 1.00 31.12 O ATOM 870 CB TYR A 53 -10.459 0.552 -12.287 1.00 34.25 C ATOM 871 CG TYR A 53 -11.010 1.920 -12.658 1.00 64.20 C ATOM 872 CD1 TYR A 53 -12.350 2.088 -13.007 1.00 21.01 C ATOM 873 CD2 TYR A 53 -10.187 3.042 -12.670 1.00 63.25 C ATOM 874 CE1 TYR A 53 -12.845 3.331 -13.352 1.00 12.43 C ATOM 875 CE2 TYR A 53 -10.679 4.285 -13.011 1.00 72.32 C ATOM 876 CZ TYR A 53 -12.005 4.425 -13.353 1.00 43.53 C ATOM 877 OH TYR A 53 -12.491 5.662 -13.699 1.00 44.42 O ATOM 0 HA TYR A 53 -10.435 -0.933 -10.735 1.00 63.22 H new ATOM 0 HB2 TYR A 53 -9.373 0.577 -12.371 1.00 34.25 H new ATOM 0 HB3 TYR A 53 -10.818 -0.179 -13.012 1.00 34.25 H new ATOM 0 HD1 TYR A 53 -13.011 1.234 -13.008 1.00 21.01 H new ATOM 0 HD2 TYR A 53 -9.145 2.938 -12.408 1.00 63.25 H new ATOM 0 HE1 TYR A 53 -13.885 3.445 -13.620 1.00 12.43 H new ATOM 0 HE2 TYR A 53 -10.026 5.145 -13.010 1.00 72.32 H new ATOM 0 HH TYR A 53 -11.769 6.323 -13.647 1.00 44.42 H new ATOM 887 N SER A 54 -9.322 0.398 -8.981 1.00 21.51 N ATOM 888 CA SER A 54 -8.681 1.134 -7.881 1.00 22.10 C ATOM 889 C SER A 54 -7.313 0.535 -7.524 1.00 2.34 C ATOM 890 O SER A 54 -6.996 -0.588 -7.920 1.00 43.11 O ATOM 891 CB SER A 54 -9.581 1.124 -6.632 1.00 42.01 C ATOM 892 OG SER A 54 -10.854 1.693 -6.895 1.00 74.51 O ATOM 0 H SER A 54 -9.033 -0.577 -9.057 1.00 21.51 H new ATOM 0 HA SER A 54 -8.533 2.160 -8.219 1.00 22.10 H new ATOM 0 HB2 SER A 54 -9.706 0.099 -6.282 1.00 42.01 H new ATOM 0 HB3 SER A 54 -9.094 1.678 -5.829 1.00 42.01 H new ATOM 0 HG SER A 54 -11.398 1.668 -6.080 1.00 74.51 H new ATOM 898 N ARG A 55 -6.506 1.299 -6.783 1.00 74.23 N ATOM 899 CA ARG A 55 -5.198 0.830 -6.291 1.00 64.41 C ATOM 900 C ARG A 55 -4.701 1.702 -5.123 1.00 31.34 C ATOM 901 O ARG A 55 -5.001 2.894 -5.050 1.00 11.32 O ATOM 902 CB ARG A 55 -4.140 0.810 -7.417 1.00 71.43 C ATOM 903 CG ARG A 55 -3.742 2.189 -7.954 1.00 25.43 C ATOM 904 CD ARG A 55 -4.840 2.835 -8.796 1.00 64.32 C ATOM 905 NE ARG A 55 -4.499 4.202 -9.188 1.00 12.31 N ATOM 906 CZ ARG A 55 -4.943 4.789 -10.267 1.00 72.31 C ATOM 907 NH1 ARG A 55 -5.681 4.146 -11.111 1.00 53.43 N ATOM 908 NH2 ARG A 55 -4.632 6.020 -10.508 1.00 34.40 N ATOM 0 H ARG A 55 -6.734 2.254 -6.506 1.00 74.23 H new ATOM 0 HA ARG A 55 -5.339 -0.191 -5.935 1.00 64.41 H new ATOM 0 HB2 ARG A 55 -3.246 0.309 -7.046 1.00 71.43 H new ATOM 0 HB3 ARG A 55 -4.522 0.211 -8.244 1.00 71.43 H new ATOM 0 HG2 ARG A 55 -3.500 2.844 -7.117 1.00 25.43 H new ATOM 0 HG3 ARG A 55 -2.838 2.093 -8.556 1.00 25.43 H new ATOM 0 HD2 ARG A 55 -5.012 2.234 -9.689 1.00 64.32 H new ATOM 0 HD3 ARG A 55 -5.773 2.842 -8.232 1.00 64.32 H new ATOM 0 HE ARG A 55 -3.874 4.731 -8.580 1.00 12.31 H new ATOM 0 HH11 ARG A 55 -5.922 3.170 -10.938 1.00 53.43 H new ATOM 0 HH12 ARG A 55 -6.022 4.614 -11.950 1.00 53.43 H new ATOM 0 HH21 ARG A 55 -4.040 6.533 -9.855 1.00 34.40 H new ATOM 0 HH22 ARG A 55 -4.979 6.478 -11.351 1.00 34.40 H new ATOM 922 N ALA A 56 -3.948 1.096 -4.208 1.00 44.02 N ATOM 923 CA ALA A 56 -3.395 1.811 -3.050 1.00 42.21 C ATOM 924 C ALA A 56 -1.944 2.239 -3.308 1.00 74.31 C ATOM 925 O ALA A 56 -1.326 1.794 -4.274 1.00 22.23 O ATOM 926 CB ALA A 56 -3.473 0.932 -1.808 1.00 21.22 C ATOM 0 H ALA A 56 -3.703 0.106 -4.243 1.00 44.02 H new ATOM 0 HA ALA A 56 -3.989 2.711 -2.888 1.00 42.21 H new ATOM 0 HB1 ALA A 56 -3.061 1.470 -0.955 1.00 21.22 H new ATOM 0 HB2 ALA A 56 -4.514 0.677 -1.608 1.00 21.22 H new ATOM 0 HB3 ALA A 56 -2.901 0.019 -1.972 1.00 21.22 H new ATOM 932 N TYR A 57 -1.401 3.099 -2.445 1.00 51.52 N ATOM 933 CA TYR A 57 -0.019 3.577 -2.604 1.00 14.14 C ATOM 934 C TYR A 57 0.724 3.664 -1.261 1.00 44.33 C ATOM 935 O TYR A 57 0.118 3.811 -0.201 1.00 52.33 O ATOM 936 CB TYR A 57 0.001 4.950 -3.284 1.00 65.34 C ATOM 937 CG TYR A 57 -0.471 4.935 -4.724 1.00 54.44 C ATOM 938 CD1 TYR A 57 0.407 4.624 -5.757 1.00 1.34 C ATOM 939 CD2 TYR A 57 -1.789 5.235 -5.050 1.00 1.20 C ATOM 940 CE1 TYR A 57 -0.015 4.613 -7.071 1.00 72.24 C ATOM 941 CE2 TYR A 57 -2.217 5.227 -6.362 1.00 14.44 C ATOM 942 CZ TYR A 57 -1.326 4.916 -7.369 1.00 62.24 C ATOM 943 OH TYR A 57 -1.750 4.911 -8.680 1.00 51.04 O ATOM 0 H TYR A 57 -1.889 3.479 -1.634 1.00 51.52 H new ATOM 0 HA TYR A 57 0.496 2.848 -3.229 1.00 14.14 H new ATOM 0 HB2 TYR A 57 -0.627 5.635 -2.714 1.00 65.34 H new ATOM 0 HB3 TYR A 57 1.016 5.346 -3.250 1.00 65.34 H new ATOM 0 HD1 TYR A 57 1.435 4.387 -5.527 1.00 1.34 H new ATOM 0 HD2 TYR A 57 -2.489 5.478 -4.264 1.00 1.20 H new ATOM 0 HE1 TYR A 57 0.679 4.368 -7.862 1.00 72.24 H new ATOM 0 HE2 TYR A 57 -3.244 5.463 -6.599 1.00 14.44 H new ATOM 0 HH TYR A 57 -1.226 4.260 -9.191 1.00 51.04 H new ATOM 953 N ILE A 58 2.050 3.581 -1.328 1.00 13.32 N ATOM 954 CA ILE A 58 2.911 3.739 -0.151 1.00 1.44 C ATOM 955 C ILE A 58 3.863 4.932 -0.353 1.00 64.13 C ATOM 956 O ILE A 58 4.183 5.290 -1.485 1.00 12.10 O ATOM 957 CB ILE A 58 3.746 2.457 0.114 1.00 31.23 C ATOM 958 CG1 ILE A 58 2.834 1.219 0.186 1.00 4.41 C ATOM 959 CG2 ILE A 58 4.562 2.599 1.400 1.00 32.51 C ATOM 960 CD1 ILE A 58 3.587 -0.086 0.358 1.00 34.05 C ATOM 0 H ILE A 58 2.560 3.403 -2.194 1.00 13.32 H new ATOM 0 HA ILE A 58 2.268 3.918 0.711 1.00 1.44 H new ATOM 0 HB ILE A 58 4.438 2.324 -0.717 1.00 31.23 H new ATOM 0 HG12 ILE A 58 2.139 1.339 1.017 1.00 4.41 H new ATOM 0 HG13 ILE A 58 2.237 1.166 -0.724 1.00 4.41 H new ATOM 0 HG21 ILE A 58 5.140 1.690 1.567 1.00 32.51 H new ATOM 0 HG22 ILE A 58 5.240 3.448 1.309 1.00 32.51 H new ATOM 0 HG23 ILE A 58 3.889 2.761 2.242 1.00 32.51 H new ATOM 0 HD11 ILE A 58 2.878 -0.913 0.400 1.00 34.05 H new ATOM 0 HD12 ILE A 58 4.262 -0.230 -0.485 1.00 34.05 H new ATOM 0 HD13 ILE A 58 4.163 -0.054 1.283 1.00 34.05 H new ATOM 972 N ASN A 59 4.297 5.557 0.741 1.00 63.32 N ATOM 973 CA ASN A 59 5.246 6.675 0.662 1.00 15.25 C ATOM 974 C ASN A 59 6.445 6.443 1.599 1.00 30.33 C ATOM 975 O ASN A 59 6.409 6.800 2.781 1.00 51.31 O ATOM 976 CB ASN A 59 4.545 7.998 1.005 1.00 15.12 C ATOM 977 CG ASN A 59 5.402 9.210 0.678 1.00 11.53 C ATOM 978 OD1 ASN A 59 5.333 9.757 -0.412 1.00 51.31 O ATOM 979 ND2 ASN A 59 6.224 9.631 1.617 1.00 10.22 N ATOM 0 H ASN A 59 4.011 5.313 1.689 1.00 63.32 H new ATOM 0 HA ASN A 59 5.620 6.733 -0.360 1.00 15.25 H new ATOM 0 HB2 ASN A 59 3.606 8.062 0.455 1.00 15.12 H new ATOM 0 HB3 ASN A 59 4.295 8.009 2.066 1.00 15.12 H new ATOM 0 HD21 ASN A 59 6.827 10.436 1.444 1.00 10.22 H new ATOM 0 HD22 ASN A 59 6.258 9.152 2.517 1.00 10.22 H new ATOM 986 N PHE A 60 7.489 5.807 1.071 1.00 22.33 N ATOM 987 CA PHE A 60 8.714 5.544 1.838 1.00 33.25 C ATOM 988 C PHE A 60 9.471 6.834 2.193 1.00 42.34 C ATOM 989 O PHE A 60 9.146 7.920 1.707 1.00 60.14 O ATOM 990 CB PHE A 60 9.630 4.583 1.066 1.00 64.15 C ATOM 991 CG PHE A 60 9.287 3.126 1.276 1.00 21.24 C ATOM 992 CD1 PHE A 60 8.206 2.541 0.634 1.00 64.41 C ATOM 993 CD2 PHE A 60 10.050 2.343 2.129 1.00 11.30 C ATOM 994 CE1 PHE A 60 7.898 1.207 0.837 1.00 71.24 C ATOM 995 CE2 PHE A 60 9.749 1.014 2.336 1.00 2.21 C ATOM 996 CZ PHE A 60 8.671 0.443 1.687 1.00 11.22 C ATOM 0 H PHE A 60 7.515 5.461 0.112 1.00 22.33 H new ATOM 0 HA PHE A 60 8.412 5.080 2.777 1.00 33.25 H new ATOM 0 HB2 PHE A 60 9.571 4.813 0.002 1.00 64.15 H new ATOM 0 HB3 PHE A 60 10.662 4.753 1.372 1.00 64.15 H new ATOM 0 HD1 PHE A 60 7.597 3.134 -0.033 1.00 64.41 H new ATOM 0 HD2 PHE A 60 10.894 2.782 2.640 1.00 11.30 H new ATOM 0 HE1 PHE A 60 7.053 0.764 0.330 1.00 71.24 H new ATOM 0 HE2 PHE A 60 10.355 0.420 3.004 1.00 2.21 H new ATOM 0 HZ PHE A 60 8.434 -0.599 1.845 1.00 11.22 H new ATOM 1006 N ARG A 61 10.484 6.703 3.051 1.00 2.52 N ATOM 1007 CA ARG A 61 11.233 7.862 3.551 1.00 4.24 C ATOM 1008 C ARG A 61 12.728 7.558 3.714 1.00 32.12 C ATOM 1009 O ARG A 61 13.577 8.262 3.166 1.00 24.42 O ATOM 1010 CB ARG A 61 10.659 8.319 4.903 1.00 42.11 C ATOM 1011 CG ARG A 61 9.268 8.943 4.819 1.00 41.24 C ATOM 1012 CD ARG A 61 9.295 10.288 4.096 1.00 11.03 C ATOM 1013 NE ARG A 61 10.218 11.226 4.731 1.00 23.12 N ATOM 1014 CZ ARG A 61 9.975 12.494 4.920 1.00 52.41 C ATOM 1015 NH1 ARG A 61 8.856 13.027 4.547 1.00 63.20 N ATOM 1016 NH2 ARG A 61 10.860 13.231 5.501 1.00 44.03 N ATOM 0 H ARG A 61 10.806 5.807 3.416 1.00 2.52 H new ATOM 0 HA ARG A 61 11.129 8.655 2.811 1.00 4.24 H new ATOM 0 HB2 ARG A 61 10.620 7.462 5.575 1.00 42.11 H new ATOM 0 HB3 ARG A 61 11.342 9.042 5.348 1.00 42.11 H new ATOM 0 HG2 ARG A 61 8.595 8.263 4.297 1.00 41.24 H new ATOM 0 HG3 ARG A 61 8.868 9.078 5.824 1.00 41.24 H new ATOM 0 HD2 ARG A 61 9.588 10.137 3.057 1.00 11.03 H new ATOM 0 HD3 ARG A 61 8.292 10.715 4.085 1.00 11.03 H new ATOM 0 HE ARG A 61 11.117 10.864 5.049 1.00 23.12 H new ATOM 0 HH11 ARG A 61 8.143 12.454 4.096 1.00 63.20 H new ATOM 0 HH12 ARG A 61 8.687 14.020 4.705 1.00 63.20 H new ATOM 0 HH21 ARG A 61 11.742 12.822 5.809 1.00 44.03 H new ATOM 0 HH22 ARG A 61 10.678 14.223 5.652 1.00 44.03 H new ATOM 1030 N ASN A 62 13.044 6.517 4.477 1.00 71.33 N ATOM 1031 CA ASN A 62 14.432 6.201 4.813 1.00 3.51 C ATOM 1032 C ASN A 62 15.054 5.234 3.789 1.00 15.24 C ATOM 1033 O ASN A 62 14.532 4.149 3.559 1.00 13.35 O ATOM 1034 CB ASN A 62 14.485 5.584 6.215 1.00 12.41 C ATOM 1035 CG ASN A 62 15.898 5.370 6.718 1.00 61.52 C ATOM 1036 OD1 ASN A 62 16.816 6.113 6.387 1.00 74.21 O ATOM 1037 ND2 ASN A 62 16.086 4.352 7.527 1.00 41.34 N ATOM 0 H ASN A 62 12.358 5.876 4.876 1.00 71.33 H new ATOM 0 HA ASN A 62 15.011 7.124 4.790 1.00 3.51 H new ATOM 0 HB2 ASN A 62 13.952 6.232 6.911 1.00 12.41 H new ATOM 0 HB3 ASN A 62 13.961 4.628 6.205 1.00 12.41 H new ATOM 0 HD21 ASN A 62 17.016 4.161 7.899 1.00 41.34 H new ATOM 0 HD22 ASN A 62 15.302 3.753 7.783 1.00 41.34 H new ATOM 1044 N PRO A 63 16.204 5.598 3.182 1.00 65.22 N ATOM 1045 CA PRO A 63 16.896 4.727 2.214 1.00 62.13 C ATOM 1046 C PRO A 63 17.196 3.327 2.788 1.00 60.55 C ATOM 1047 O PRO A 63 17.516 2.392 2.050 1.00 62.21 O ATOM 1048 CB PRO A 63 18.201 5.491 1.906 1.00 13.30 C ATOM 1049 CG PRO A 63 18.327 6.509 2.992 1.00 3.24 C ATOM 1050 CD PRO A 63 16.921 6.865 3.383 1.00 5.23 C ATOM 0 HA PRO A 63 16.287 4.537 1.330 1.00 62.13 H new ATOM 0 HB2 PRO A 63 19.058 4.818 1.897 1.00 13.30 H new ATOM 0 HB3 PRO A 63 18.157 5.965 0.925 1.00 13.30 H new ATOM 0 HG2 PRO A 63 18.880 6.108 3.842 1.00 3.24 H new ATOM 0 HG3 PRO A 63 18.871 7.387 2.644 1.00 3.24 H new ATOM 0 HD2 PRO A 63 16.861 7.205 4.417 1.00 5.23 H new ATOM 0 HD3 PRO A 63 16.517 7.663 2.761 1.00 5.23 H new ATOM 1058 N ASP A 64 17.095 3.195 4.112 1.00 13.35 N ATOM 1059 CA ASP A 64 17.297 1.914 4.785 1.00 34.02 C ATOM 1060 C ASP A 64 16.006 1.072 4.807 1.00 1.22 C ATOM 1061 O ASP A 64 16.033 -0.108 4.456 1.00 2.11 O ATOM 1062 CB ASP A 64 17.813 2.141 6.207 1.00 22.42 C ATOM 1063 CG ASP A 64 19.114 2.923 6.222 1.00 70.44 C ATOM 1064 OD1 ASP A 64 20.084 2.480 5.573 1.00 61.52 O ATOM 1065 OD2 ASP A 64 19.174 3.988 6.870 1.00 63.23 O ATOM 0 H ASP A 64 16.873 3.966 4.741 1.00 13.35 H new ATOM 0 HA ASP A 64 18.043 1.354 4.220 1.00 34.02 H new ATOM 0 HB2 ASP A 64 17.060 2.678 6.784 1.00 22.42 H new ATOM 0 HB3 ASP A 64 17.963 1.179 6.696 1.00 22.42 H new ATOM 1070 N ASP A 65 14.871 1.669 5.199 1.00 25.35 N ATOM 1071 CA ASP A 65 13.613 0.912 5.256 1.00 45.44 C ATOM 1072 C ASP A 65 13.142 0.514 3.844 1.00 74.33 C ATOM 1073 O ASP A 65 12.481 -0.512 3.666 1.00 32.31 O ATOM 1074 CB ASP A 65 12.508 1.658 6.046 1.00 35.42 C ATOM 1075 CG ASP A 65 12.126 3.037 5.511 1.00 72.42 C ATOM 1076 OD1 ASP A 65 12.100 3.236 4.287 1.00 20.51 O ATOM 1077 OD2 ASP A 65 11.826 3.926 6.337 1.00 40.32 O ATOM 0 H ASP A 65 14.797 2.648 5.475 1.00 25.35 H new ATOM 0 HA ASP A 65 13.815 -0.005 5.809 1.00 45.44 H new ATOM 0 HB2 ASP A 65 11.614 1.034 6.061 1.00 35.42 H new ATOM 0 HB3 ASP A 65 12.837 1.768 7.079 1.00 35.42 H new ATOM 1082 N ILE A 66 13.511 1.320 2.846 1.00 3.32 N ATOM 1083 CA ILE A 66 13.271 0.982 1.437 1.00 12.25 C ATOM 1084 C ILE A 66 13.837 -0.409 1.082 1.00 35.40 C ATOM 1085 O ILE A 66 13.099 -1.299 0.647 1.00 45.14 O ATOM 1086 CB ILE A 66 13.890 2.045 0.487 1.00 0.41 C ATOM 1087 CG1 ILE A 66 13.257 3.425 0.740 1.00 74.21 C ATOM 1088 CG2 ILE A 66 13.718 1.631 -0.978 1.00 62.13 C ATOM 1089 CD1 ILE A 66 13.834 4.537 -0.118 1.00 22.40 C ATOM 0 H ILE A 66 13.979 2.215 2.986 1.00 3.32 H new ATOM 0 HA ILE A 66 12.190 0.967 1.300 1.00 12.25 H new ATOM 0 HB ILE A 66 14.958 2.112 0.696 1.00 0.41 H new ATOM 0 HG12 ILE A 66 12.184 3.360 0.559 1.00 74.21 H new ATOM 0 HG13 ILE A 66 13.387 3.686 1.790 1.00 74.21 H new ATOM 0 HG21 ILE A 66 14.159 2.390 -1.625 1.00 62.13 H new ATOM 0 HG22 ILE A 66 14.216 0.676 -1.147 1.00 62.13 H new ATOM 0 HG23 ILE A 66 12.657 1.532 -1.206 1.00 62.13 H new ATOM 0 HD11 ILE A 66 13.335 5.476 0.120 1.00 22.40 H new ATOM 0 HD12 ILE A 66 14.902 4.632 0.080 1.00 22.40 H new ATOM 0 HD13 ILE A 66 13.680 4.301 -1.171 1.00 22.40 H new ATOM 1101 N LEU A 67 15.144 -0.602 1.278 1.00 21.44 N ATOM 1102 CA LEU A 67 15.777 -1.887 0.956 1.00 30.10 C ATOM 1103 C LEU A 67 15.410 -2.975 1.982 1.00 30.42 C ATOM 1104 O LEU A 67 15.294 -4.148 1.639 1.00 14.24 O ATOM 1105 CB LEU A 67 17.309 -1.732 0.804 1.00 65.23 C ATOM 1106 CG LEU A 67 18.077 -1.084 1.978 1.00 62.14 C ATOM 1107 CD1 LEU A 67 18.255 -2.054 3.145 1.00 3.01 C ATOM 1108 CD2 LEU A 67 19.436 -0.572 1.502 1.00 74.13 C ATOM 0 H LEU A 67 15.778 0.103 1.653 1.00 21.44 H new ATOM 0 HA LEU A 67 15.385 -2.216 -0.007 1.00 30.10 H new ATOM 0 HB2 LEU A 67 17.732 -2.721 0.630 1.00 65.23 H new ATOM 0 HB3 LEU A 67 17.501 -1.141 -0.091 1.00 65.23 H new ATOM 0 HG LEU A 67 17.483 -0.244 2.337 1.00 62.14 H new ATOM 0 HD11 LEU A 67 18.800 -1.559 3.949 1.00 3.01 H new ATOM 0 HD12 LEU A 67 17.277 -2.369 3.509 1.00 3.01 H new ATOM 0 HD13 LEU A 67 18.816 -2.927 2.810 1.00 3.01 H new ATOM 0 HD21 LEU A 67 19.967 -0.118 2.339 1.00 74.13 H new ATOM 0 HD22 LEU A 67 20.021 -1.404 1.109 1.00 74.13 H new ATOM 0 HD23 LEU A 67 19.291 0.171 0.718 1.00 74.13 H new ATOM 1120 N LEU A 68 15.199 -2.576 3.230 1.00 43.41 N ATOM 1121 CA LEU A 68 14.785 -3.511 4.281 1.00 3.22 C ATOM 1122 C LEU A 68 13.438 -4.170 3.951 1.00 64.50 C ATOM 1123 O LEU A 68 13.308 -5.397 3.987 1.00 41.52 O ATOM 1124 CB LEU A 68 14.692 -2.773 5.628 1.00 73.32 C ATOM 1125 CG LEU A 68 13.969 -3.525 6.761 1.00 1.12 C ATOM 1126 CD1 LEU A 68 14.682 -4.838 7.094 1.00 72.43 C ATOM 1127 CD2 LEU A 68 13.847 -2.641 8.005 1.00 71.41 C ATOM 0 H LEU A 68 15.307 -1.612 3.544 1.00 43.41 H new ATOM 0 HA LEU A 68 15.535 -4.299 4.345 1.00 3.22 H new ATOM 0 HB2 LEU A 68 15.703 -2.538 5.962 1.00 73.32 H new ATOM 0 HB3 LEU A 68 14.182 -1.824 5.465 1.00 73.32 H new ATOM 0 HG LEU A 68 12.965 -3.769 6.415 1.00 1.12 H new ATOM 0 HD11 LEU A 68 14.150 -5.348 7.897 1.00 72.43 H new ATOM 0 HD12 LEU A 68 14.702 -5.476 6.210 1.00 72.43 H new ATOM 0 HD13 LEU A 68 15.703 -4.627 7.412 1.00 72.43 H new ATOM 0 HD21 LEU A 68 13.333 -3.191 8.793 1.00 71.41 H new ATOM 0 HD22 LEU A 68 14.842 -2.358 8.349 1.00 71.41 H new ATOM 0 HD23 LEU A 68 13.279 -1.744 7.759 1.00 71.41 H new ATOM 1139 N PHE A 69 12.446 -3.352 3.627 1.00 24.43 N ATOM 1140 CA PHE A 69 11.090 -3.846 3.388 1.00 24.04 C ATOM 1141 C PHE A 69 10.891 -4.401 1.970 1.00 4.30 C ATOM 1142 O PHE A 69 10.070 -5.300 1.775 1.00 53.32 O ATOM 1143 CB PHE A 69 10.061 -2.760 3.718 1.00 25.42 C ATOM 1144 CG PHE A 69 9.642 -2.789 5.166 1.00 3.30 C ATOM 1145 CD1 PHE A 69 10.468 -2.279 6.156 1.00 54.40 C ATOM 1146 CD2 PHE A 69 8.433 -3.356 5.537 1.00 35.12 C ATOM 1147 CE1 PHE A 69 10.094 -2.331 7.485 1.00 52.15 C ATOM 1148 CE2 PHE A 69 8.052 -3.409 6.861 1.00 63.05 C ATOM 1149 CZ PHE A 69 8.885 -2.899 7.839 1.00 13.32 C ATOM 0 H PHE A 69 12.551 -2.343 3.523 1.00 24.43 H new ATOM 0 HA PHE A 69 10.935 -4.691 4.059 1.00 24.04 H new ATOM 0 HB2 PHE A 69 10.481 -1.782 3.483 1.00 25.42 H new ATOM 0 HB3 PHE A 69 9.183 -2.890 3.085 1.00 25.42 H new ATOM 0 HD1 PHE A 69 11.415 -1.836 5.885 1.00 54.40 H new ATOM 0 HD2 PHE A 69 7.780 -3.762 4.778 1.00 35.12 H new ATOM 0 HE1 PHE A 69 10.746 -1.928 8.246 1.00 52.15 H new ATOM 0 HE2 PHE A 69 7.104 -3.848 7.134 1.00 63.05 H new ATOM 0 HZ PHE A 69 8.592 -2.944 8.877 1.00 13.32 H new ATOM 1159 N ARG A 70 11.634 -3.896 0.983 1.00 25.50 N ATOM 1160 CA ARG A 70 11.595 -4.497 -0.361 1.00 13.22 C ATOM 1161 C ARG A 70 12.011 -5.974 -0.275 1.00 23.24 C ATOM 1162 O ARG A 70 11.445 -6.838 -0.943 1.00 1.32 O ATOM 1163 CB ARG A 70 12.536 -3.766 -1.339 1.00 71.43 C ATOM 1164 CG ARG A 70 14.000 -4.168 -1.178 1.00 1.04 C ATOM 1165 CD ARG A 70 14.900 -3.606 -2.267 1.00 3.11 C ATOM 1166 NE ARG A 70 16.250 -4.161 -2.169 1.00 61.54 N ATOM 1167 CZ ARG A 70 17.205 -3.942 -3.030 1.00 5.43 C ATOM 1168 NH1 ARG A 70 17.018 -3.148 -4.039 1.00 31.42 N ATOM 1169 NH2 ARG A 70 18.354 -4.519 -2.873 1.00 12.30 N ATOM 0 H ARG A 70 12.256 -3.093 1.079 1.00 25.50 H new ATOM 0 HA ARG A 70 10.575 -4.409 -0.736 1.00 13.22 H new ATOM 0 HB2 ARG A 70 12.219 -3.973 -2.361 1.00 71.43 H new ATOM 0 HB3 ARG A 70 12.442 -2.691 -1.188 1.00 71.43 H new ATOM 0 HG2 ARG A 70 14.359 -3.826 -0.207 1.00 1.04 H new ATOM 0 HG3 ARG A 70 14.074 -5.256 -1.180 1.00 1.04 H new ATOM 0 HD2 ARG A 70 14.479 -3.835 -3.246 1.00 3.11 H new ATOM 0 HD3 ARG A 70 14.942 -2.520 -2.184 1.00 3.11 H new ATOM 0 HE ARG A 70 16.459 -4.761 -1.371 1.00 61.54 H new ATOM 0 HH11 ARG A 70 16.117 -2.687 -4.165 1.00 31.42 H new ATOM 0 HH12 ARG A 70 17.772 -2.984 -4.706 1.00 31.42 H new ATOM 0 HH21 ARG A 70 18.508 -5.141 -2.079 1.00 12.30 H new ATOM 0 HH22 ARG A 70 19.105 -4.352 -3.543 1.00 12.30 H new ATOM 1183 N ASP A 71 12.995 -6.243 0.590 1.00 21.04 N ATOM 1184 CA ASP A 71 13.577 -7.575 0.741 1.00 4.20 C ATOM 1185 C ASP A 71 12.776 -8.465 1.714 1.00 42.40 C ATOM 1186 O ASP A 71 13.284 -9.476 2.209 1.00 32.44 O ATOM 1187 CB ASP A 71 15.037 -7.442 1.191 1.00 42.10 C ATOM 1188 CG ASP A 71 15.966 -7.128 0.028 1.00 13.33 C ATOM 1189 OD1 ASP A 71 16.078 -7.971 -0.890 1.00 24.35 O ATOM 1190 OD2 ASP A 71 16.603 -6.057 0.026 1.00 45.14 O ATOM 0 H ASP A 71 13.408 -5.541 1.204 1.00 21.04 H new ATOM 0 HA ASP A 71 13.536 -8.072 -0.228 1.00 4.20 H new ATOM 0 HB2 ASP A 71 15.115 -6.654 1.940 1.00 42.10 H new ATOM 0 HB3 ASP A 71 15.355 -8.369 1.669 1.00 42.10 H new ATOM 1195 N ARG A 72 11.521 -8.097 1.969 1.00 12.32 N ATOM 1196 CA ARG A 72 10.611 -8.929 2.771 1.00 43.34 C ATOM 1197 C ARG A 72 9.168 -8.828 2.241 1.00 22.41 C ATOM 1198 O ARG A 72 8.208 -9.163 2.937 1.00 41.44 O ATOM 1199 CB ARG A 72 10.682 -8.515 4.252 1.00 64.21 C ATOM 1200 CG ARG A 72 10.187 -7.099 4.527 1.00 3.24 C ATOM 1201 CD ARG A 72 10.537 -6.621 5.936 1.00 65.51 C ATOM 1202 NE ARG A 72 10.026 -7.508 6.980 1.00 70.20 N ATOM 1203 CZ ARG A 72 8.850 -7.388 7.540 1.00 1.31 C ATOM 1204 NH1 ARG A 72 7.999 -6.509 7.115 1.00 21.02 N ATOM 1205 NH2 ARG A 72 8.514 -8.157 8.518 1.00 20.22 N ATOM 0 H ARG A 72 11.106 -7.228 1.633 1.00 12.32 H new ATOM 0 HA ARG A 72 10.925 -9.969 2.687 1.00 43.34 H new ATOM 0 HB2 ARG A 72 10.092 -9.216 4.843 1.00 64.21 H new ATOM 0 HB3 ARG A 72 11.714 -8.600 4.593 1.00 64.21 H new ATOM 0 HG2 ARG A 72 10.622 -6.417 3.797 1.00 3.24 H new ATOM 0 HG3 ARG A 72 9.106 -7.063 4.392 1.00 3.24 H new ATOM 0 HD2 ARG A 72 11.620 -6.544 6.030 1.00 65.51 H new ATOM 0 HD3 ARG A 72 10.132 -5.620 6.086 1.00 65.51 H new ATOM 0 HE ARG A 72 10.626 -8.271 7.292 1.00 70.20 H new ATOM 0 HH11 ARG A 72 8.242 -5.899 6.334 1.00 21.02 H new ATOM 0 HH12 ARG A 72 7.085 -6.426 7.561 1.00 21.02 H new ATOM 0 HH21 ARG A 72 9.166 -8.863 8.859 1.00 20.22 H new ATOM 0 HH22 ARG A 72 7.596 -8.059 8.951 1.00 20.22 H new ATOM 1219 N PHE A 73 9.035 -8.383 0.988 1.00 62.24 N ATOM 1220 CA PHE A 73 7.723 -8.184 0.346 1.00 2.12 C ATOM 1221 C PHE A 73 7.796 -8.409 -1.178 1.00 14.22 C ATOM 1222 O PHE A 73 7.060 -9.230 -1.720 1.00 42.10 O ATOM 1223 CB PHE A 73 7.184 -6.767 0.636 1.00 72.53 C ATOM 1224 CG PHE A 73 6.501 -6.627 1.979 1.00 60.41 C ATOM 1225 CD1 PHE A 73 5.216 -7.114 2.159 1.00 24.15 C ATOM 1226 CD2 PHE A 73 7.130 -6.008 3.052 1.00 44.31 C ATOM 1227 CE1 PHE A 73 4.571 -6.987 3.373 1.00 50.33 C ATOM 1228 CE2 PHE A 73 6.489 -5.882 4.270 1.00 74.12 C ATOM 1229 CZ PHE A 73 5.209 -6.371 4.431 1.00 61.33 C ATOM 0 H PHE A 73 9.827 -8.150 0.389 1.00 62.24 H new ATOM 0 HA PHE A 73 7.042 -8.922 0.769 1.00 2.12 H new ATOM 0 HB2 PHE A 73 8.011 -6.058 0.586 1.00 72.53 H new ATOM 0 HB3 PHE A 73 6.479 -6.491 -0.148 1.00 72.53 H new ATOM 0 HD1 PHE A 73 4.712 -7.600 1.337 1.00 24.15 H new ATOM 0 HD2 PHE A 73 8.131 -5.621 2.933 1.00 44.31 H new ATOM 0 HE1 PHE A 73 3.568 -7.369 3.495 1.00 50.33 H new ATOM 0 HE2 PHE A 73 6.991 -5.400 5.096 1.00 74.12 H new ATOM 0 HZ PHE A 73 4.707 -6.272 5.382 1.00 61.33 H new ATOM 1239 N ASP A 74 8.693 -7.657 -1.838 1.00 53.44 N ATOM 1240 CA ASP A 74 8.909 -7.683 -3.308 1.00 20.21 C ATOM 1241 C ASP A 74 7.606 -7.708 -4.156 1.00 72.11 C ATOM 1242 O ASP A 74 7.293 -6.732 -4.845 1.00 35.24 O ATOM 1243 CB ASP A 74 9.877 -8.815 -3.716 1.00 34.23 C ATOM 1244 CG ASP A 74 9.375 -10.222 -3.424 1.00 0.14 C ATOM 1245 OD1 ASP A 74 9.609 -10.730 -2.313 1.00 1.22 O ATOM 1246 OD2 ASP A 74 8.765 -10.842 -4.324 1.00 75.52 O ATOM 0 H ASP A 74 9.306 -6.997 -1.360 1.00 53.44 H new ATOM 0 HA ASP A 74 9.375 -6.726 -3.543 1.00 20.21 H new ATOM 0 HB2 ASP A 74 10.081 -8.732 -4.783 1.00 34.23 H new ATOM 0 HB3 ASP A 74 10.825 -8.668 -3.198 1.00 34.23 H new ATOM 1251 N GLY A 75 6.877 -8.819 -4.130 1.00 41.30 N ATOM 1252 CA GLY A 75 5.638 -8.948 -4.890 1.00 34.24 C ATOM 1253 C GLY A 75 4.820 -10.157 -4.450 1.00 32.01 C ATOM 1254 O GLY A 75 4.348 -10.941 -5.277 1.00 71.40 O ATOM 0 H GLY A 75 7.124 -9.647 -3.588 1.00 41.30 H new ATOM 0 HA2 GLY A 75 5.042 -8.043 -4.768 1.00 34.24 H new ATOM 0 HA3 GLY A 75 5.871 -9.035 -5.951 1.00 34.24 H new ATOM 1258 N TYR A 76 4.658 -10.306 -3.137 1.00 25.43 N ATOM 1259 CA TYR A 76 3.981 -11.474 -2.559 1.00 13.42 C ATOM 1260 C TYR A 76 2.460 -11.453 -2.813 1.00 71.24 C ATOM 1261 O TYR A 76 1.886 -10.427 -3.188 1.00 72.53 O ATOM 1262 CB TYR A 76 4.255 -11.545 -1.046 1.00 54.31 C ATOM 1263 CG TYR A 76 3.369 -10.630 -0.213 1.00 55.02 C ATOM 1264 CD1 TYR A 76 3.457 -9.248 -0.324 1.00 24.25 C ATOM 1265 CD2 TYR A 76 2.443 -11.157 0.685 1.00 73.22 C ATOM 1266 CE1 TYR A 76 2.647 -8.420 0.428 1.00 42.22 C ATOM 1267 CE2 TYR A 76 1.631 -10.333 1.438 1.00 44.11 C ATOM 1268 CZ TYR A 76 1.737 -8.967 1.308 1.00 72.43 C ATOM 1269 OH TYR A 76 0.928 -8.144 2.058 1.00 45.31 O ATOM 0 H TYR A 76 4.987 -9.631 -2.447 1.00 25.43 H new ATOM 0 HA TYR A 76 4.384 -12.359 -3.052 1.00 13.42 H new ATOM 0 HB2 TYR A 76 4.116 -12.573 -0.710 1.00 54.31 H new ATOM 0 HB3 TYR A 76 5.298 -11.288 -0.864 1.00 54.31 H new ATOM 0 HD1 TYR A 76 4.170 -8.814 -1.009 1.00 24.25 H new ATOM 0 HD2 TYR A 76 2.359 -12.228 0.794 1.00 73.22 H new ATOM 0 HE1 TYR A 76 2.726 -7.348 0.327 1.00 42.22 H new ATOM 0 HE2 TYR A 76 0.916 -10.758 2.126 1.00 44.11 H new ATOM 0 HH TYR A 76 0.111 -8.625 2.305 1.00 45.31 H new ATOM 1279 N ILE A 77 1.815 -12.596 -2.584 1.00 21.22 N ATOM 1280 CA ILE A 77 0.363 -12.721 -2.736 1.00 42.32 C ATOM 1281 C ILE A 77 -0.341 -12.669 -1.367 1.00 55.40 C ATOM 1282 O ILE A 77 -0.159 -13.555 -0.529 1.00 70.43 O ATOM 1283 CB ILE A 77 -0.013 -14.045 -3.456 1.00 53.42 C ATOM 1284 CG1 ILE A 77 0.593 -14.082 -4.873 1.00 33.12 C ATOM 1285 CG2 ILE A 77 -1.529 -14.223 -3.514 1.00 31.40 C ATOM 1286 CD1 ILE A 77 0.098 -12.979 -5.788 1.00 34.23 C ATOM 0 H ILE A 77 2.278 -13.456 -2.290 1.00 21.22 H new ATOM 0 HA ILE A 77 0.028 -11.880 -3.343 1.00 42.32 H new ATOM 0 HB ILE A 77 0.403 -14.873 -2.882 1.00 53.42 H new ATOM 0 HG12 ILE A 77 1.678 -14.014 -4.794 1.00 33.12 H new ATOM 0 HG13 ILE A 77 0.366 -15.046 -5.328 1.00 33.12 H new ATOM 0 HG21 ILE A 77 -1.766 -15.157 -4.023 1.00 31.40 H new ATOM 0 HG22 ILE A 77 -1.931 -14.249 -2.501 1.00 31.40 H new ATOM 0 HG23 ILE A 77 -1.973 -13.390 -4.059 1.00 31.40 H new ATOM 0 HD11 ILE A 77 0.572 -13.076 -6.765 1.00 34.23 H new ATOM 0 HD12 ILE A 77 -0.983 -13.057 -5.900 1.00 34.23 H new ATOM 0 HD13 ILE A 77 0.349 -12.009 -5.358 1.00 34.23 H new ATOM 1298 N PHE A 78 -1.129 -11.620 -1.142 1.00 52.02 N ATOM 1299 CA PHE A 78 -1.891 -11.465 0.102 1.00 24.34 C ATOM 1300 C PHE A 78 -3.317 -12.013 -0.057 1.00 60.32 C ATOM 1301 O PHE A 78 -4.013 -11.685 -1.014 1.00 45.34 O ATOM 1302 CB PHE A 78 -1.936 -9.984 0.518 1.00 14.44 C ATOM 1303 CG PHE A 78 -2.691 -9.731 1.803 1.00 72.43 C ATOM 1304 CD1 PHE A 78 -2.088 -9.951 3.036 1.00 51.31 C ATOM 1305 CD2 PHE A 78 -4.003 -9.273 1.778 1.00 53.42 C ATOM 1306 CE1 PHE A 78 -2.778 -9.725 4.212 1.00 13.04 C ATOM 1307 CE2 PHE A 78 -4.695 -9.046 2.951 1.00 52.22 C ATOM 1308 CZ PHE A 78 -4.083 -9.270 4.169 1.00 35.02 C ATOM 0 H PHE A 78 -1.259 -10.858 -1.808 1.00 52.02 H new ATOM 0 HA PHE A 78 -1.389 -12.037 0.882 1.00 24.34 H new ATOM 0 HB2 PHE A 78 -0.916 -9.617 0.629 1.00 14.44 H new ATOM 0 HB3 PHE A 78 -2.397 -9.406 -0.283 1.00 14.44 H new ATOM 0 HD1 PHE A 78 -1.068 -10.303 3.075 1.00 51.31 H new ATOM 0 HD2 PHE A 78 -4.487 -9.092 0.830 1.00 53.42 H new ATOM 0 HE1 PHE A 78 -2.299 -9.904 5.163 1.00 13.04 H new ATOM 0 HE2 PHE A 78 -5.715 -8.693 2.916 1.00 52.22 H new ATOM 0 HZ PHE A 78 -4.623 -9.090 5.087 1.00 35.02 H new ATOM 1318 N LEU A 79 -3.737 -12.854 0.883 1.00 3.02 N ATOM 1319 CA LEU A 79 -5.087 -13.428 0.866 1.00 0.24 C ATOM 1320 C LEU A 79 -5.916 -12.940 2.065 1.00 42.30 C ATOM 1321 O LEU A 79 -5.424 -12.897 3.198 1.00 40.12 O ATOM 1322 CB LEU A 79 -5.002 -14.961 0.878 1.00 53.51 C ATOM 1323 CG LEU A 79 -4.262 -15.589 -0.319 1.00 33.25 C ATOM 1324 CD1 LEU A 79 -4.086 -17.092 -0.121 1.00 21.13 C ATOM 1325 CD2 LEU A 79 -5.004 -15.301 -1.621 1.00 21.15 C ATOM 0 H LEU A 79 -3.163 -13.157 1.670 1.00 3.02 H new ATOM 0 HA LEU A 79 -5.585 -13.098 -0.046 1.00 0.24 H new ATOM 0 HB2 LEU A 79 -4.505 -15.274 1.796 1.00 53.51 H new ATOM 0 HB3 LEU A 79 -6.014 -15.364 0.911 1.00 53.51 H new ATOM 0 HG LEU A 79 -3.272 -15.137 -0.381 1.00 33.25 H new ATOM 0 HD11 LEU A 79 -3.561 -17.513 -0.979 1.00 21.13 H new ATOM 0 HD12 LEU A 79 -3.507 -17.274 0.784 1.00 21.13 H new ATOM 0 HD13 LEU A 79 -5.064 -17.564 -0.027 1.00 21.13 H new ATOM 0 HD21 LEU A 79 -4.466 -15.753 -2.454 1.00 21.15 H new ATOM 0 HD22 LEU A 79 -6.009 -15.721 -1.568 1.00 21.15 H new ATOM 0 HD23 LEU A 79 -5.069 -14.223 -1.772 1.00 21.15 H new ATOM 1337 N ASP A 80 -7.168 -12.571 1.810 1.00 3.13 N ATOM 1338 CA ASP A 80 -8.084 -12.144 2.870 1.00 32.23 C ATOM 1339 C ASP A 80 -8.779 -13.369 3.504 1.00 50.45 C ATOM 1340 O ASP A 80 -8.298 -14.497 3.381 1.00 13.40 O ATOM 1341 CB ASP A 80 -9.122 -11.170 2.294 1.00 60.23 C ATOM 1342 CG ASP A 80 -10.129 -11.864 1.395 1.00 73.44 C ATOM 1343 OD1 ASP A 80 -9.722 -12.417 0.353 1.00 63.21 O ATOM 1344 OD2 ASP A 80 -11.325 -11.895 1.756 1.00 23.12 O ATOM 0 H ASP A 80 -7.575 -12.558 0.875 1.00 3.13 H new ATOM 0 HA ASP A 80 -7.517 -11.634 3.649 1.00 32.23 H new ATOM 0 HB2 ASP A 80 -9.648 -10.678 3.112 1.00 60.23 H new ATOM 0 HB3 ASP A 80 -8.611 -10.391 1.729 1.00 60.23 H new ATOM 1349 N SER A 81 -9.910 -13.149 4.177 1.00 23.21 N ATOM 1350 CA SER A 81 -10.674 -14.247 4.794 1.00 32.41 C ATOM 1351 C SER A 81 -11.279 -15.190 3.737 1.00 54.31 C ATOM 1352 O SER A 81 -11.511 -16.369 4.003 1.00 74.23 O ATOM 1353 CB SER A 81 -11.792 -13.686 5.683 1.00 23.43 C ATOM 1354 OG SER A 81 -11.272 -12.836 6.698 1.00 51.42 O ATOM 0 H SER A 81 -10.320 -12.225 4.311 1.00 23.21 H new ATOM 0 HA SER A 81 -9.977 -14.824 5.402 1.00 32.41 H new ATOM 0 HB2 SER A 81 -12.502 -13.131 5.070 1.00 23.43 H new ATOM 0 HB3 SER A 81 -12.341 -14.508 6.141 1.00 23.43 H new ATOM 0 HG SER A 81 -12.008 -12.493 7.246 1.00 51.42 H new ATOM 1360 N LYS A 82 -11.544 -14.661 2.543 1.00 62.24 N ATOM 1361 CA LYS A 82 -12.068 -15.464 1.431 1.00 21.43 C ATOM 1362 C LYS A 82 -10.933 -16.135 0.643 1.00 23.34 C ATOM 1363 O LYS A 82 -10.936 -17.351 0.431 1.00 22.54 O ATOM 1364 CB LYS A 82 -12.914 -14.582 0.497 1.00 43.24 C ATOM 1365 CG LYS A 82 -14.135 -13.966 1.176 1.00 30.13 C ATOM 1366 CD LYS A 82 -15.093 -15.041 1.682 1.00 41.11 C ATOM 1367 CE LYS A 82 -16.280 -14.444 2.427 1.00 13.22 C ATOM 1368 NZ LYS A 82 -17.247 -15.492 2.845 1.00 23.34 N ATOM 0 H LYS A 82 -11.405 -13.676 2.317 1.00 62.24 H new ATOM 0 HA LYS A 82 -12.696 -16.251 1.849 1.00 21.43 H new ATOM 0 HB2 LYS A 82 -12.288 -13.783 0.100 1.00 43.24 H new ATOM 0 HB3 LYS A 82 -13.244 -15.180 -0.353 1.00 43.24 H new ATOM 0 HG2 LYS A 82 -13.813 -13.342 2.010 1.00 30.13 H new ATOM 0 HG3 LYS A 82 -14.655 -13.315 0.473 1.00 30.13 H new ATOM 0 HD2 LYS A 82 -15.454 -15.631 0.839 1.00 41.11 H new ATOM 0 HD3 LYS A 82 -14.557 -15.723 2.342 1.00 41.11 H new ATOM 0 HE2 LYS A 82 -15.925 -13.905 3.305 1.00 13.22 H new ATOM 0 HE3 LYS A 82 -16.783 -13.718 1.789 1.00 13.22 H new ATOM 0 HZ1 LYS A 82 -18.042 -15.050 3.349 1.00 23.34 H new ATOM 0 HZ2 LYS A 82 -17.604 -15.990 2.005 1.00 23.34 H new ATOM 0 HZ3 LYS A 82 -16.773 -16.171 3.474 1.00 23.34 H new ATOM 1382 N GLY A 83 -9.962 -15.338 0.211 1.00 42.25 N ATOM 1383 CA GLY A 83 -8.815 -15.872 -0.516 1.00 74.13 C ATOM 1384 C GLY A 83 -8.591 -15.206 -1.869 1.00 44.44 C ATOM 1385 O GLY A 83 -8.178 -15.858 -2.831 1.00 34.30 O ATOM 0 H GLY A 83 -9.945 -14.328 0.350 1.00 42.25 H new ATOM 0 HA2 GLY A 83 -7.919 -15.750 0.093 1.00 74.13 H new ATOM 0 HA3 GLY A 83 -8.955 -16.943 -0.665 1.00 74.13 H new ATOM 1389 N LEU A 84 -8.861 -13.908 -1.950 1.00 35.23 N ATOM 1390 CA LEU A 84 -8.627 -13.139 -3.175 1.00 64.21 C ATOM 1391 C LEU A 84 -7.149 -12.740 -3.291 1.00 24.22 C ATOM 1392 O LEU A 84 -6.634 -11.996 -2.458 1.00 21.40 O ATOM 1393 CB LEU A 84 -9.516 -11.886 -3.195 1.00 1.42 C ATOM 1394 CG LEU A 84 -11.026 -12.150 -3.062 1.00 22.43 C ATOM 1395 CD1 LEU A 84 -11.809 -10.842 -3.106 1.00 71.12 C ATOM 1396 CD2 LEU A 84 -11.508 -13.105 -4.150 1.00 0.32 C ATOM 0 H LEU A 84 -9.244 -13.360 -1.180 1.00 35.23 H new ATOM 0 HA LEU A 84 -8.883 -13.767 -4.028 1.00 64.21 H new ATOM 0 HB2 LEU A 84 -9.206 -11.228 -2.384 1.00 1.42 H new ATOM 0 HB3 LEU A 84 -9.338 -11.349 -4.127 1.00 1.42 H new ATOM 0 HG LEU A 84 -11.203 -12.621 -2.095 1.00 22.43 H new ATOM 0 HD11 LEU A 84 -12.874 -11.052 -3.010 1.00 71.12 H new ATOM 0 HD12 LEU A 84 -11.491 -10.200 -2.285 1.00 71.12 H new ATOM 0 HD13 LEU A 84 -11.622 -10.338 -4.054 1.00 71.12 H new ATOM 0 HD21 LEU A 84 -12.578 -13.277 -4.035 1.00 0.32 H new ATOM 0 HD22 LEU A 84 -11.313 -12.669 -5.130 1.00 0.32 H new ATOM 0 HD23 LEU A 84 -10.977 -14.053 -4.063 1.00 0.32 H new ATOM 1408 N GLU A 85 -6.471 -13.244 -4.319 1.00 35.25 N ATOM 1409 CA GLU A 85 -5.040 -12.977 -4.508 1.00 24.33 C ATOM 1410 C GLU A 85 -4.748 -11.485 -4.754 1.00 23.02 C ATOM 1411 O GLU A 85 -4.973 -10.965 -5.852 1.00 55.34 O ATOM 1412 CB GLU A 85 -4.486 -13.817 -5.667 1.00 24.41 C ATOM 1413 CG GLU A 85 -4.591 -15.323 -5.445 1.00 40.34 C ATOM 1414 CD GLU A 85 -3.899 -16.126 -6.534 1.00 51.02 C ATOM 1415 OE1 GLU A 85 -2.663 -16.297 -6.460 1.00 3.21 O ATOM 1416 OE2 GLU A 85 -4.584 -16.582 -7.473 1.00 42.11 O ATOM 0 H GLU A 85 -6.885 -13.840 -5.036 1.00 35.25 H new ATOM 0 HA GLU A 85 -4.540 -13.259 -3.582 1.00 24.33 H new ATOM 0 HB2 GLU A 85 -5.021 -13.556 -6.580 1.00 24.41 H new ATOM 0 HB3 GLU A 85 -3.440 -13.555 -5.825 1.00 24.41 H new ATOM 0 HG2 GLU A 85 -4.153 -15.575 -4.479 1.00 40.34 H new ATOM 0 HG3 GLU A 85 -5.642 -15.607 -5.402 1.00 40.34 H new ATOM 1423 N TYR A 86 -4.267 -10.805 -3.712 1.00 41.55 N ATOM 1424 CA TYR A 86 -3.810 -9.415 -3.824 1.00 22.23 C ATOM 1425 C TYR A 86 -2.279 -9.363 -3.992 1.00 0.25 C ATOM 1426 O TYR A 86 -1.541 -9.539 -3.022 1.00 73.24 O ATOM 1427 CB TYR A 86 -4.206 -8.608 -2.572 1.00 24.31 C ATOM 1428 CG TYR A 86 -5.694 -8.611 -2.259 1.00 62.03 C ATOM 1429 CD1 TYR A 86 -6.597 -7.934 -3.071 1.00 72.10 C ATOM 1430 CD2 TYR A 86 -6.193 -9.274 -1.139 1.00 3.43 C ATOM 1431 CE1 TYR A 86 -7.948 -7.919 -2.783 1.00 14.42 C ATOM 1432 CE2 TYR A 86 -7.544 -9.266 -0.847 1.00 52.35 C ATOM 1433 CZ TYR A 86 -8.417 -8.586 -1.672 1.00 12.00 C ATOM 1434 OH TYR A 86 -9.762 -8.562 -1.377 1.00 22.41 O ATOM 0 H TYR A 86 -4.183 -11.196 -2.774 1.00 41.55 H new ATOM 0 HA TYR A 86 -4.288 -8.977 -4.700 1.00 22.23 H new ATOM 0 HB2 TYR A 86 -3.667 -9.008 -1.713 1.00 24.31 H new ATOM 0 HB3 TYR A 86 -3.878 -7.577 -2.702 1.00 24.31 H new ATOM 0 HD1 TYR A 86 -6.235 -7.410 -3.943 1.00 72.10 H new ATOM 0 HD2 TYR A 86 -5.512 -9.803 -0.488 1.00 3.43 H new ATOM 0 HE1 TYR A 86 -8.634 -7.387 -3.426 1.00 14.42 H new ATOM 0 HE2 TYR A 86 -7.915 -9.789 0.022 1.00 52.35 H new ATOM 0 HH TYR A 86 -9.928 -9.082 -0.563 1.00 22.41 H new ATOM 1444 N PRO A 87 -1.772 -9.138 -5.223 1.00 55.14 N ATOM 1445 CA PRO A 87 -0.332 -9.049 -5.474 1.00 63.32 C ATOM 1446 C PRO A 87 0.231 -7.662 -5.129 1.00 43.03 C ATOM 1447 O PRO A 87 -0.070 -6.674 -5.797 1.00 12.14 O ATOM 1448 CB PRO A 87 -0.199 -9.336 -6.984 1.00 2.14 C ATOM 1449 CG PRO A 87 -1.599 -9.446 -7.525 1.00 2.24 C ATOM 1450 CD PRO A 87 -2.538 -8.946 -6.455 1.00 12.32 C ATOM 0 HA PRO A 87 0.232 -9.746 -4.855 1.00 63.32 H new ATOM 0 HB2 PRO A 87 0.348 -8.536 -7.484 1.00 2.14 H new ATOM 0 HB3 PRO A 87 0.356 -10.258 -7.156 1.00 2.14 H new ATOM 0 HG2 PRO A 87 -1.706 -8.856 -8.435 1.00 2.24 H new ATOM 0 HG3 PRO A 87 -1.830 -10.479 -7.786 1.00 2.24 H new ATOM 0 HD2 PRO A 87 -2.801 -7.899 -6.607 1.00 12.32 H new ATOM 0 HD3 PRO A 87 -3.471 -9.510 -6.442 1.00 12.32 H new ATOM 1458 N ALA A 88 1.043 -7.593 -4.077 1.00 11.21 N ATOM 1459 CA ALA A 88 1.632 -6.322 -3.642 1.00 13.13 C ATOM 1460 C ALA A 88 3.078 -6.167 -4.141 1.00 53.31 C ATOM 1461 O ALA A 88 4.026 -6.594 -3.481 1.00 20.55 O ATOM 1462 CB ALA A 88 1.571 -6.204 -2.122 1.00 14.22 C ATOM 0 H ALA A 88 1.310 -8.397 -3.509 1.00 11.21 H new ATOM 0 HA ALA A 88 1.047 -5.515 -4.082 1.00 13.13 H new ATOM 0 HB1 ALA A 88 2.011 -5.256 -1.813 1.00 14.22 H new ATOM 0 HB2 ALA A 88 0.532 -6.245 -1.795 1.00 14.22 H new ATOM 0 HB3 ALA A 88 2.126 -7.026 -1.671 1.00 14.22 H new ATOM 1468 N VAL A 89 3.235 -5.563 -5.319 1.00 22.35 N ATOM 1469 CA VAL A 89 4.557 -5.365 -5.929 1.00 22.21 C ATOM 1470 C VAL A 89 5.166 -4.011 -5.523 1.00 35.24 C ATOM 1471 O VAL A 89 4.507 -2.977 -5.598 1.00 40.23 O ATOM 1472 CB VAL A 89 4.471 -5.444 -7.476 1.00 30.24 C ATOM 1473 CG1 VAL A 89 5.848 -5.254 -8.115 1.00 63.23 C ATOM 1474 CG2 VAL A 89 3.844 -6.770 -7.911 1.00 54.44 C ATOM 0 H VAL A 89 2.461 -5.199 -5.875 1.00 22.35 H new ATOM 0 HA VAL A 89 5.201 -6.164 -5.563 1.00 22.21 H new ATOM 0 HB VAL A 89 3.831 -4.633 -7.822 1.00 30.24 H new ATOM 0 HG11 VAL A 89 5.757 -5.314 -9.200 1.00 63.23 H new ATOM 0 HG12 VAL A 89 6.246 -4.278 -7.838 1.00 63.23 H new ATOM 0 HG13 VAL A 89 6.523 -6.034 -7.764 1.00 63.23 H new ATOM 0 HG21 VAL A 89 3.792 -6.808 -8.999 1.00 54.44 H new ATOM 0 HG22 VAL A 89 4.454 -7.597 -7.548 1.00 54.44 H new ATOM 0 HG23 VAL A 89 2.839 -6.851 -7.496 1.00 54.44 H new ATOM 1484 N VAL A 90 6.429 -4.028 -5.098 1.00 43.30 N ATOM 1485 CA VAL A 90 7.119 -2.813 -4.641 1.00 53.41 C ATOM 1486 C VAL A 90 7.898 -2.125 -5.783 1.00 53.31 C ATOM 1487 O VAL A 90 8.793 -2.721 -6.389 1.00 54.11 O ATOM 1488 CB VAL A 90 8.101 -3.141 -3.483 1.00 60.14 C ATOM 1489 CG1 VAL A 90 8.770 -1.873 -2.953 1.00 73.23 C ATOM 1490 CG2 VAL A 90 7.381 -3.897 -2.363 1.00 34.41 C ATOM 0 H VAL A 90 7.001 -4.872 -5.059 1.00 43.30 H new ATOM 0 HA VAL A 90 6.347 -2.128 -4.288 1.00 53.41 H new ATOM 0 HB VAL A 90 8.886 -3.787 -3.876 1.00 60.14 H new ATOM 0 HG11 VAL A 90 9.452 -2.133 -2.143 1.00 73.23 H new ATOM 0 HG12 VAL A 90 9.328 -1.393 -3.757 1.00 73.23 H new ATOM 0 HG13 VAL A 90 8.008 -1.188 -2.580 1.00 73.23 H new ATOM 0 HG21 VAL A 90 8.086 -4.118 -1.561 1.00 34.41 H new ATOM 0 HG22 VAL A 90 6.569 -3.283 -1.973 1.00 34.41 H new ATOM 0 HG23 VAL A 90 6.975 -4.829 -2.756 1.00 34.41 H new ATOM 1500 N GLU A 91 7.557 -0.864 -6.064 1.00 3.23 N ATOM 1501 CA GLU A 91 8.256 -0.068 -7.092 1.00 11.41 C ATOM 1502 C GLU A 91 8.265 1.426 -6.724 1.00 23.33 C ATOM 1503 O GLU A 91 7.448 1.879 -5.929 1.00 74.45 O ATOM 1504 CB GLU A 91 7.601 -0.260 -8.472 1.00 10.04 C ATOM 1505 CG GLU A 91 6.133 0.156 -8.529 1.00 75.24 C ATOM 1506 CD GLU A 91 5.565 0.118 -9.939 1.00 71.25 C ATOM 1507 OE1 GLU A 91 5.323 -0.989 -10.462 1.00 51.34 O ATOM 1508 OE2 GLU A 91 5.352 1.197 -10.535 1.00 34.43 O ATOM 0 H GLU A 91 6.800 -0.366 -5.596 1.00 3.23 H new ATOM 0 HA GLU A 91 9.286 -0.422 -7.137 1.00 11.41 H new ATOM 0 HB2 GLU A 91 8.159 0.315 -9.210 1.00 10.04 H new ATOM 0 HB3 GLU A 91 7.682 -1.309 -8.758 1.00 10.04 H new ATOM 0 HG2 GLU A 91 5.548 -0.504 -7.888 1.00 75.24 H new ATOM 0 HG3 GLU A 91 6.030 1.164 -8.127 1.00 75.24 H new ATOM 1515 N PHE A 92 9.186 2.196 -7.306 1.00 73.44 N ATOM 1516 CA PHE A 92 9.309 3.627 -6.983 1.00 51.33 C ATOM 1517 C PHE A 92 8.500 4.502 -7.955 1.00 65.04 C ATOM 1518 O PHE A 92 8.227 4.106 -9.090 1.00 63.22 O ATOM 1519 CB PHE A 92 10.786 4.059 -6.997 1.00 1.21 C ATOM 1520 CG PHE A 92 11.386 4.164 -8.379 1.00 43.45 C ATOM 1521 CD1 PHE A 92 11.748 3.024 -9.086 1.00 45.54 C ATOM 1522 CD2 PHE A 92 11.588 5.404 -8.970 1.00 50.11 C ATOM 1523 CE1 PHE A 92 12.295 3.122 -10.352 1.00 24.11 C ATOM 1524 CE2 PHE A 92 12.137 5.506 -10.234 1.00 4.20 C ATOM 1525 CZ PHE A 92 12.490 4.363 -10.925 1.00 25.24 C ATOM 0 H PHE A 92 9.855 1.860 -7.999 1.00 73.44 H new ATOM 0 HA PHE A 92 8.902 3.769 -5.982 1.00 51.33 H new ATOM 0 HB2 PHE A 92 10.875 5.025 -6.500 1.00 1.21 H new ATOM 0 HB3 PHE A 92 11.368 3.345 -6.414 1.00 1.21 H new ATOM 0 HD1 PHE A 92 11.600 2.051 -8.642 1.00 45.54 H new ATOM 0 HD2 PHE A 92 11.312 6.301 -8.435 1.00 50.11 H new ATOM 0 HE1 PHE A 92 12.570 2.228 -10.893 1.00 24.11 H new ATOM 0 HE2 PHE A 92 12.290 6.477 -10.681 1.00 4.20 H new ATOM 0 HZ PHE A 92 12.918 4.440 -11.913 1.00 25.24 H new ATOM 1535 N ALA A 93 8.127 5.697 -7.506 1.00 55.41 N ATOM 1536 CA ALA A 93 7.397 6.650 -8.352 1.00 1.43 C ATOM 1537 C ALA A 93 8.361 7.612 -9.076 1.00 22.54 C ATOM 1538 O ALA A 93 9.284 8.152 -8.460 1.00 24.13 O ATOM 1539 CB ALA A 93 6.393 7.435 -7.513 1.00 43.12 C ATOM 0 H ALA A 93 8.316 6.033 -6.562 1.00 55.41 H new ATOM 0 HA ALA A 93 6.860 6.083 -9.112 1.00 1.43 H new ATOM 0 HB1 ALA A 93 5.857 8.139 -8.150 1.00 43.12 H new ATOM 0 HB2 ALA A 93 5.683 6.746 -7.056 1.00 43.12 H new ATOM 0 HB3 ALA A 93 6.921 7.982 -6.732 1.00 43.12 H new