USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=12 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 29 GLN : amide:sc= -0.221 K(o=0.71,f=-0.26!) USER MOD Set 1.2: A 76 TYR OH : rot 50:sc= 0.936 USER MOD Single : A 10 HIS : no HE2:sc= -0.221 K(o=-0.22,f=-2.4!) USER MOD Single : A 11 MET CE :methyl 176:sc= 0 (180deg=-0.0241) 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 :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 36 HIS : no HE2:sc= -3.64! C(o=-3.6!,f=-4.5!) 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 42:sc= 0.339 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.36! X(o=-1.4!,f=-1.2) USER MOD Single : A 62 ASN : amide:sc= -2.6 K(o=-2.6,f=-6!) 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 -86:sc= 0.881 USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 13.677 8.332 -1.070 1.00 21.32 N ATOM 147 CA HIS A 10 13.179 7.995 -2.408 1.00 4.13 C ATOM 148 C HIS A 10 11.829 7.259 -2.327 1.00 23.51 C ATOM 149 O HIS A 10 11.757 6.136 -1.829 1.00 45.41 O ATOM 150 CB HIS A 10 14.218 7.127 -3.136 1.00 22.55 C ATOM 151 CG HIS A 10 13.827 6.727 -4.529 1.00 43.31 C ATOM 152 ND1 HIS A 10 14.050 7.520 -5.632 1.00 22.20 N ATOM 153 CD2 HIS A 10 13.244 5.597 -4.998 1.00 14.34 C ATOM 154 CE1 HIS A 10 13.621 6.901 -6.713 1.00 40.14 C ATOM 155 NE2 HIS A 10 13.130 5.732 -6.361 1.00 50.30 N ATOM 0 HA HIS A 10 13.022 8.918 -2.966 1.00 4.13 H new ATOM 0 HB2 HIS A 10 15.162 7.671 -3.179 1.00 22.55 H new ATOM 0 HB3 HIS A 10 14.396 6.226 -2.549 1.00 22.55 H new ATOM 0 HD1 HIS A 10 14.481 8.444 -5.615 1.00 22.20 H new ATOM 0 HD2 HIS A 10 12.928 4.748 -4.410 1.00 14.34 H new ATOM 0 HE1 HIS A 10 13.665 7.288 -7.720 1.00 40.14 H new ATOM 164 N MET A 11 10.767 7.894 -2.824 1.00 31.14 N ATOM 165 CA MET A 11 9.424 7.296 -2.807 1.00 51.31 C ATOM 166 C MET A 11 9.372 5.958 -3.569 1.00 73.13 C ATOM 167 O MET A 11 9.990 5.800 -4.626 1.00 1.54 O ATOM 168 CB MET A 11 8.394 8.261 -3.410 1.00 41.01 C ATOM 169 CG MET A 11 8.255 9.576 -2.657 1.00 54.03 C ATOM 170 SD MET A 11 9.767 10.557 -2.690 1.00 14.35 S ATOM 171 CE MET A 11 9.238 12.028 -1.814 1.00 72.33 C ATOM 0 H MET A 11 10.807 8.823 -3.244 1.00 31.14 H new ATOM 0 HA MET A 11 9.182 7.102 -1.762 1.00 51.31 H new ATOM 0 HB2 MET A 11 8.673 8.474 -4.442 1.00 41.01 H new ATOM 0 HB3 MET A 11 7.423 7.767 -3.438 1.00 41.01 H new ATOM 0 HG2 MET A 11 7.441 10.155 -3.092 1.00 54.03 H new ATOM 0 HG3 MET A 11 7.982 9.371 -1.622 1.00 54.03 H new ATOM 0 HE1 MET A 11 10.085 12.702 -1.690 1.00 72.33 H new ATOM 0 HE2 MET A 11 8.456 12.529 -2.384 1.00 72.33 H new ATOM 0 HE3 MET A 11 8.851 11.748 -0.834 1.00 72.33 H new ATOM 181 N VAL A 12 8.626 5.003 -3.016 1.00 13.34 N ATOM 182 CA VAL A 12 8.407 3.698 -3.652 1.00 63.34 C ATOM 183 C VAL A 12 6.903 3.371 -3.680 1.00 15.13 C ATOM 184 O VAL A 12 6.220 3.467 -2.659 1.00 14.11 O ATOM 185 CB VAL A 12 9.180 2.573 -2.909 1.00 23.14 C ATOM 186 CG1 VAL A 12 8.933 1.212 -3.557 1.00 31.13 C ATOM 187 CG2 VAL A 12 10.678 2.881 -2.863 1.00 43.05 C ATOM 0 H VAL A 12 8.156 5.108 -2.117 1.00 13.34 H new ATOM 0 HA VAL A 12 8.785 3.752 -4.673 1.00 63.34 H new ATOM 0 HB VAL A 12 8.805 2.533 -1.886 1.00 23.14 H new ATOM 0 HG11 VAL A 12 9.487 0.445 -3.015 1.00 31.13 H new ATOM 0 HG12 VAL A 12 7.868 0.982 -3.525 1.00 31.13 H new ATOM 0 HG13 VAL A 12 9.268 1.237 -4.594 1.00 31.13 H new ATOM 0 HG21 VAL A 12 11.198 2.080 -2.338 1.00 43.05 H new ATOM 0 HG22 VAL A 12 11.065 2.960 -3.879 1.00 43.05 H new ATOM 0 HG23 VAL A 12 10.840 3.823 -2.339 1.00 43.05 H new ATOM 197 N VAL A 13 6.391 3.004 -4.851 1.00 41.24 N ATOM 198 CA VAL A 13 4.945 2.814 -5.041 1.00 42.22 C ATOM 199 C VAL A 13 4.525 1.331 -5.015 1.00 35.01 C ATOM 200 O VAL A 13 5.361 0.426 -4.952 1.00 71.13 O ATOM 201 CB VAL A 13 4.473 3.458 -6.370 1.00 31.15 C ATOM 202 CG1 VAL A 13 4.816 4.948 -6.395 1.00 53.23 C ATOM 203 CG2 VAL A 13 5.078 2.741 -7.577 1.00 10.02 C ATOM 0 H VAL A 13 6.950 2.831 -5.686 1.00 41.24 H new ATOM 0 HA VAL A 13 4.463 3.309 -4.198 1.00 42.22 H new ATOM 0 HB VAL A 13 3.390 3.353 -6.430 1.00 31.15 H new ATOM 0 HG11 VAL A 13 4.477 5.384 -7.335 1.00 53.23 H new ATOM 0 HG12 VAL A 13 4.321 5.449 -5.564 1.00 53.23 H new ATOM 0 HG13 VAL A 13 5.895 5.075 -6.304 1.00 53.23 H new ATOM 0 HG21 VAL A 13 4.729 3.215 -8.494 1.00 10.02 H new ATOM 0 HG22 VAL A 13 6.165 2.801 -7.529 1.00 10.02 H new ATOM 0 HG23 VAL A 13 4.772 1.695 -7.570 1.00 10.02 H new ATOM 213 N ILE A 14 3.212 1.102 -5.076 1.00 22.02 N ATOM 214 CA ILE A 14 2.639 -0.247 -5.007 1.00 60.31 C ATOM 215 C ILE A 14 1.637 -0.477 -6.161 1.00 35.45 C ATOM 216 O ILE A 14 0.859 0.416 -6.501 1.00 11.22 O ATOM 217 CB ILE A 14 1.931 -0.457 -3.637 1.00 13.41 C ATOM 218 CG1 ILE A 14 1.463 -1.914 -3.464 1.00 72.43 C ATOM 219 CG2 ILE A 14 0.759 0.508 -3.465 1.00 60.31 C ATOM 220 CD1 ILE A 14 2.591 -2.886 -3.192 1.00 13.50 C ATOM 0 H ILE A 14 2.517 1.842 -5.174 1.00 22.02 H new ATOM 0 HA ILE A 14 3.449 -0.970 -5.105 1.00 60.31 H new ATOM 0 HB ILE A 14 2.663 -0.244 -2.858 1.00 13.41 H new ATOM 0 HG12 ILE A 14 0.748 -1.962 -2.643 1.00 72.43 H new ATOM 0 HG13 ILE A 14 0.935 -2.226 -4.365 1.00 72.43 H new ATOM 0 HG21 ILE A 14 0.285 0.336 -2.499 1.00 60.31 H new ATOM 0 HG22 ILE A 14 1.123 1.534 -3.514 1.00 60.31 H new ATOM 0 HG23 ILE A 14 0.032 0.343 -4.260 1.00 60.31 H new ATOM 0 HD11 ILE A 14 2.186 -3.892 -3.081 1.00 13.50 H new ATOM 0 HD12 ILE A 14 3.295 -2.868 -4.024 1.00 13.50 H new ATOM 0 HD13 ILE A 14 3.105 -2.599 -2.275 1.00 13.50 H new ATOM 232 N ARG A 15 1.666 -1.664 -6.771 1.00 11.14 N ATOM 233 CA ARG A 15 0.755 -1.983 -7.888 1.00 43.33 C ATOM 234 C ARG A 15 0.096 -3.366 -7.726 1.00 51.10 C ATOM 235 O ARG A 15 0.343 -4.074 -6.746 1.00 1.21 O ATOM 236 CB ARG A 15 1.503 -1.930 -9.231 1.00 70.00 C ATOM 237 CG ARG A 15 2.682 -2.893 -9.317 1.00 74.43 C ATOM 238 CD ARG A 15 3.025 -3.241 -10.762 1.00 54.52 C ATOM 239 NE ARG A 15 3.288 -2.057 -11.575 1.00 70.20 N ATOM 240 CZ ARG A 15 3.424 -2.070 -12.872 1.00 32.52 C ATOM 241 NH1 ARG A 15 3.344 -3.180 -13.539 1.00 35.21 N ATOM 242 NH2 ARG A 15 3.658 -0.962 -13.498 1.00 14.34 N ATOM 0 H ARG A 15 2.303 -2.419 -6.518 1.00 11.14 H new ATOM 0 HA ARG A 15 -0.032 -1.229 -7.875 1.00 43.33 H new ATOM 0 HB2 ARG A 15 0.803 -2.155 -10.035 1.00 70.00 H new ATOM 0 HB3 ARG A 15 1.863 -0.914 -9.396 1.00 70.00 H new ATOM 0 HG2 ARG A 15 3.552 -2.447 -8.834 1.00 74.43 H new ATOM 0 HG3 ARG A 15 2.447 -3.806 -8.769 1.00 74.43 H new ATOM 0 HD2 ARG A 15 3.900 -3.890 -10.778 1.00 54.52 H new ATOM 0 HD3 ARG A 15 2.202 -3.804 -11.202 1.00 54.52 H new ATOM 0 HE ARG A 15 3.371 -1.160 -11.097 1.00 70.20 H new ATOM 0 HH11 ARG A 15 3.173 -4.058 -13.049 1.00 35.21 H new ATOM 0 HH12 ARG A 15 3.452 -3.174 -14.553 1.00 35.21 H new ATOM 0 HH21 ARG A 15 3.735 -0.088 -12.977 1.00 14.34 H new ATOM 0 HH22 ARG A 15 3.766 -0.962 -14.512 1.00 14.34 H new ATOM 256 N ARG A 16 -0.750 -3.728 -8.704 1.00 74.20 N ATOM 257 CA ARG A 16 -1.453 -5.027 -8.730 1.00 75.55 C ATOM 258 C ARG A 16 -2.583 -5.113 -7.685 1.00 23.51 C ATOM 259 O ARG A 16 -3.085 -6.200 -7.399 1.00 35.10 O ATOM 260 CB ARG A 16 -0.460 -6.198 -8.544 1.00 62.11 C ATOM 261 CG ARG A 16 -0.145 -6.979 -9.821 1.00 41.25 C ATOM 262 CD ARG A 16 0.485 -6.106 -10.900 1.00 4.11 C ATOM 263 NE ARG A 16 0.900 -6.893 -12.063 1.00 41.30 N ATOM 264 CZ ARG A 16 0.905 -6.449 -13.293 1.00 31.03 C ATOM 265 NH1 ARG A 16 0.462 -5.263 -13.571 1.00 15.24 N ATOM 266 NH2 ARG A 16 1.326 -7.206 -14.254 1.00 50.34 N ATOM 0 H ARG A 16 -0.968 -3.130 -9.501 1.00 74.20 H new ATOM 0 HA ARG A 16 -1.917 -5.107 -9.713 1.00 75.55 H new ATOM 0 HB2 ARG A 16 0.471 -5.805 -8.136 1.00 62.11 H new ATOM 0 HB3 ARG A 16 -0.867 -6.887 -7.804 1.00 62.11 H new ATOM 0 HG2 ARG A 16 0.531 -7.801 -9.583 1.00 41.25 H new ATOM 0 HG3 ARG A 16 -1.063 -7.423 -10.207 1.00 41.25 H new ATOM 0 HD2 ARG A 16 -0.228 -5.344 -11.213 1.00 4.11 H new ATOM 0 HD3 ARG A 16 1.349 -5.584 -10.487 1.00 4.11 H new ATOM 0 HE ARG A 16 1.206 -7.853 -11.903 1.00 41.30 H new ATOM 0 HH11 ARG A 16 0.104 -4.665 -12.826 1.00 15.24 H new ATOM 0 HH12 ARG A 16 0.471 -4.928 -14.534 1.00 15.24 H new ATOM 0 HH21 ARG A 16 1.655 -8.150 -14.053 1.00 50.34 H new ATOM 0 HH22 ARG A 16 1.329 -6.858 -15.213 1.00 50.34 H new ATOM 280 N LEU A 17 -3.005 -3.966 -7.147 1.00 51.33 N ATOM 281 CA LEU A 17 -4.082 -3.923 -6.144 1.00 32.14 C ATOM 282 C LEU A 17 -5.458 -4.272 -6.751 1.00 33.31 C ATOM 283 O LEU A 17 -5.986 -3.523 -7.578 1.00 61.31 O ATOM 284 CB LEU A 17 -4.158 -2.531 -5.487 1.00 31.42 C ATOM 285 CG LEU A 17 -3.065 -2.200 -4.454 1.00 23.23 C ATOM 286 CD1 LEU A 17 -3.041 -3.240 -3.338 1.00 14.33 C ATOM 287 CD2 LEU A 17 -1.696 -2.082 -5.108 1.00 10.33 C ATOM 0 H LEU A 17 -2.620 -3.052 -7.387 1.00 51.33 H new ATOM 0 HA LEU A 17 -3.840 -4.674 -5.393 1.00 32.14 H new ATOM 0 HB2 LEU A 17 -4.122 -1.779 -6.275 1.00 31.42 H new ATOM 0 HB3 LEU A 17 -5.128 -2.436 -5.000 1.00 31.42 H new ATOM 0 HG LEU A 17 -3.308 -1.231 -4.017 1.00 23.23 H new ATOM 0 HD11 LEU A 17 -2.261 -2.986 -2.620 1.00 14.33 H new ATOM 0 HD12 LEU A 17 -4.007 -3.255 -2.834 1.00 14.33 H new ATOM 0 HD13 LEU A 17 -2.837 -4.223 -3.761 1.00 14.33 H new ATOM 0 HD21 LEU A 17 -0.949 -1.848 -4.349 1.00 10.33 H new ATOM 0 HD22 LEU A 17 -1.440 -3.026 -5.590 1.00 10.33 H new ATOM 0 HD23 LEU A 17 -1.716 -1.288 -5.854 1.00 10.33 H new ATOM 299 N PRO A 18 -6.058 -5.416 -6.356 1.00 20.23 N ATOM 300 CA PRO A 18 -7.403 -5.806 -6.780 1.00 72.33 C ATOM 301 C PRO A 18 -8.493 -5.445 -5.743 1.00 23.24 C ATOM 302 O PRO A 18 -8.248 -5.468 -4.533 1.00 11.35 O ATOM 303 CB PRO A 18 -7.261 -7.328 -6.920 1.00 2.54 C ATOM 304 CG PRO A 18 -6.142 -7.725 -5.989 1.00 21.43 C ATOM 305 CD PRO A 18 -5.474 -6.454 -5.498 1.00 53.35 C ATOM 0 HA PRO A 18 -7.724 -5.293 -7.687 1.00 72.33 H new ATOM 0 HB2 PRO A 18 -8.189 -7.833 -6.653 1.00 2.54 H new ATOM 0 HB3 PRO A 18 -7.031 -7.606 -7.949 1.00 2.54 H new ATOM 0 HG2 PRO A 18 -6.530 -8.301 -5.149 1.00 21.43 H new ATOM 0 HG3 PRO A 18 -5.422 -8.360 -6.506 1.00 21.43 H new ATOM 0 HD2 PRO A 18 -5.683 -6.270 -4.444 1.00 53.35 H new ATOM 0 HD3 PRO A 18 -4.390 -6.502 -5.604 1.00 53.35 H new ATOM 313 N PRO A 19 -9.716 -5.099 -6.201 1.00 61.10 N ATOM 314 CA PRO A 19 -10.833 -4.761 -5.303 1.00 4.43 C ATOM 315 C PRO A 19 -11.414 -5.988 -4.573 1.00 21.25 C ATOM 316 O PRO A 19 -12.194 -6.753 -5.146 1.00 53.34 O ATOM 317 CB PRO A 19 -11.890 -4.136 -6.243 1.00 50.23 C ATOM 318 CG PRO A 19 -11.199 -3.951 -7.561 1.00 13.22 C ATOM 319 CD PRO A 19 -10.115 -4.992 -7.611 1.00 54.30 C ATOM 0 HA PRO A 19 -10.509 -4.094 -4.504 1.00 4.43 H new ATOM 0 HB2 PRO A 19 -12.759 -4.787 -6.344 1.00 50.23 H new ATOM 0 HB3 PRO A 19 -12.249 -3.184 -5.852 1.00 50.23 H new ATOM 0 HG2 PRO A 19 -11.898 -4.075 -8.388 1.00 13.22 H new ATOM 0 HG3 PRO A 19 -10.781 -2.948 -7.645 1.00 13.22 H new ATOM 0 HD2 PRO A 19 -10.481 -5.941 -8.003 1.00 54.30 H new ATOM 0 HD3 PRO A 19 -9.284 -4.684 -8.246 1.00 54.30 H new ATOM 327 N GLY A 20 -11.016 -6.179 -3.312 1.00 13.42 N ATOM 328 CA GLY A 20 -11.549 -7.286 -2.516 1.00 71.22 C ATOM 329 C GLY A 20 -11.290 -7.154 -1.014 1.00 52.52 C ATOM 330 O GLY A 20 -11.379 -8.135 -0.271 1.00 64.05 O ATOM 0 H GLY A 20 -10.338 -5.592 -2.827 1.00 13.42 H new ATOM 0 HA2 GLY A 20 -12.624 -7.356 -2.684 1.00 71.22 H new ATOM 0 HA3 GLY A 20 -11.109 -8.219 -2.869 1.00 71.22 H new ATOM 334 N LEU A 21 -11.002 -5.939 -0.553 1.00 4.42 N ATOM 335 CA LEU A 21 -10.684 -5.701 0.860 1.00 14.43 C ATOM 336 C LEU A 21 -10.657 -4.200 1.193 1.00 2.35 C ATOM 337 O LEU A 21 -10.390 -3.357 0.334 1.00 30.14 O ATOM 338 CB LEU A 21 -9.341 -6.357 1.253 1.00 61.34 C ATOM 339 CG LEU A 21 -8.061 -5.706 0.687 1.00 25.31 C ATOM 340 CD1 LEU A 21 -6.821 -6.379 1.270 1.00 74.53 C ATOM 341 CD2 LEU A 21 -8.029 -5.770 -0.842 1.00 52.33 C ATOM 0 H LEU A 21 -10.981 -5.101 -1.135 1.00 4.42 H new ATOM 0 HA LEU A 21 -11.480 -6.164 1.444 1.00 14.43 H new ATOM 0 HB2 LEU A 21 -9.269 -6.360 2.341 1.00 61.34 H new ATOM 0 HB3 LEU A 21 -9.364 -7.398 0.932 1.00 61.34 H new ATOM 0 HG LEU A 21 -8.066 -4.656 0.978 1.00 25.31 H new ATOM 0 HD11 LEU A 21 -5.926 -5.909 0.862 1.00 74.53 H new ATOM 0 HD12 LEU A 21 -6.825 -6.271 2.355 1.00 74.53 H new ATOM 0 HD13 LEU A 21 -6.826 -7.438 1.011 1.00 74.53 H new ATOM 0 HD21 LEU A 21 -7.114 -5.303 -1.207 1.00 52.33 H new ATOM 0 HD22 LEU A 21 -8.058 -6.811 -1.163 1.00 52.33 H new ATOM 0 HD23 LEU A 21 -8.892 -5.242 -1.246 1.00 52.33 H new ATOM 353 N THR A 22 -10.921 -3.876 2.455 1.00 4.13 N ATOM 354 CA THR A 22 -10.993 -2.481 2.909 1.00 63.12 C ATOM 355 C THR A 22 -9.604 -1.956 3.275 1.00 13.52 C ATOM 356 O THR A 22 -8.752 -2.722 3.733 1.00 3.03 O ATOM 357 CB THR A 22 -11.925 -2.340 4.141 1.00 1.34 C ATOM 358 OG1 THR A 22 -13.218 -2.884 3.842 1.00 73.50 O ATOM 359 CG2 THR A 22 -12.073 -0.878 4.565 1.00 11.04 C ATOM 0 H THR A 22 -11.091 -4.562 3.190 1.00 4.13 H new ATOM 0 HA THR A 22 -11.399 -1.894 2.085 1.00 63.12 H new ATOM 0 HB THR A 22 -11.473 -2.892 4.965 1.00 1.34 H new ATOM 0 HG1 THR A 22 -13.800 -2.793 4.625 1.00 73.50 H new ATOM 0 HG21 THR A 22 -12.732 -0.815 5.431 1.00 11.04 H new ATOM 0 HG22 THR A 22 -11.095 -0.473 4.824 1.00 11.04 H new ATOM 0 HG23 THR A 22 -12.498 -0.302 3.743 1.00 11.04 H new ATOM 367 N LYS A 23 -9.388 -0.649 3.086 1.00 50.22 N ATOM 368 CA LYS A 23 -8.097 -0.009 3.377 1.00 64.13 C ATOM 369 C LYS A 23 -7.478 -0.495 4.698 1.00 63.12 C ATOM 370 O LYS A 23 -6.278 -0.693 4.773 1.00 72.13 O ATOM 371 CB LYS A 23 -8.247 1.520 3.411 1.00 44.15 C ATOM 372 CG LYS A 23 -9.249 2.031 4.446 1.00 3.05 C ATOM 373 CD LYS A 23 -9.098 3.530 4.688 1.00 32.43 C ATOM 374 CE LYS A 23 -7.738 3.864 5.299 1.00 63.45 C ATOM 375 NZ LYS A 23 -7.559 5.321 5.517 1.00 1.53 N ATOM 0 H LYS A 23 -10.097 -0.008 2.730 1.00 50.22 H new ATOM 0 HA LYS A 23 -7.421 -0.296 2.571 1.00 64.13 H new ATOM 0 HB2 LYS A 23 -7.273 1.964 3.615 1.00 44.15 H new ATOM 0 HB3 LYS A 23 -8.554 1.865 2.424 1.00 44.15 H new ATOM 0 HG2 LYS A 23 -10.263 1.818 4.107 1.00 3.05 H new ATOM 0 HG3 LYS A 23 -9.108 1.495 5.385 1.00 3.05 H new ATOM 0 HD2 LYS A 23 -9.216 4.065 3.746 1.00 32.43 H new ATOM 0 HD3 LYS A 23 -9.891 3.874 5.352 1.00 32.43 H new ATOM 0 HE2 LYS A 23 -7.631 3.341 6.249 1.00 63.45 H new ATOM 0 HE3 LYS A 23 -6.948 3.498 4.643 1.00 63.45 H new ATOM 0 HZ1 LYS A 23 -6.622 5.497 5.933 1.00 1.53 H new ATOM 0 HZ2 LYS A 23 -7.634 5.820 4.608 1.00 1.53 H new ATOM 0 HZ3 LYS A 23 -8.296 5.668 6.164 1.00 1.53 H new ATOM 389 N GLU A 24 -8.301 -0.709 5.721 1.00 72.21 N ATOM 390 CA GLU A 24 -7.807 -1.158 7.032 1.00 60.40 C ATOM 391 C GLU A 24 -7.041 -2.493 6.938 1.00 15.15 C ATOM 392 O GLU A 24 -5.957 -2.636 7.503 1.00 21.20 O ATOM 393 CB GLU A 24 -8.974 -1.282 8.017 1.00 73.11 C ATOM 394 CG GLU A 24 -9.717 0.030 8.238 1.00 55.12 C ATOM 395 CD GLU A 24 -10.830 -0.091 9.262 1.00 30.32 C ATOM 396 OE1 GLU A 24 -10.549 0.039 10.472 1.00 40.21 O ATOM 397 OE2 GLU A 24 -11.986 -0.327 8.866 1.00 24.54 O ATOM 0 H GLU A 24 -9.312 -0.581 5.674 1.00 72.21 H new ATOM 0 HA GLU A 24 -7.104 -0.407 7.394 1.00 60.40 H new ATOM 0 HB2 GLU A 24 -9.675 -2.031 7.647 1.00 73.11 H new ATOM 0 HB3 GLU A 24 -8.596 -1.644 8.973 1.00 73.11 H new ATOM 0 HG2 GLU A 24 -9.010 0.792 8.565 1.00 55.12 H new ATOM 0 HG3 GLU A 24 -10.136 0.369 7.291 1.00 55.12 H new ATOM 404 N GLN A 25 -7.602 -3.464 6.213 1.00 41.01 N ATOM 405 CA GLN A 25 -6.944 -4.772 6.022 1.00 61.12 C ATOM 406 C GLN A 25 -5.978 -4.727 4.826 1.00 70.44 C ATOM 407 O GLN A 25 -5.234 -5.671 4.561 1.00 14.51 O ATOM 408 CB GLN A 25 -7.992 -5.878 5.798 1.00 50.21 C ATOM 409 CG GLN A 25 -9.128 -5.872 6.819 1.00 35.12 C ATOM 410 CD GLN A 25 -10.075 -7.060 6.677 1.00 20.20 C ATOM 411 OE1 GLN A 25 -10.194 -7.603 5.478 1.00 43.13 O flip ATOM 412 NE2 GLN A 25 -10.691 -7.493 7.643 1.00 12.22 N flip ATOM 0 H GLN A 25 -8.506 -3.376 5.748 1.00 41.01 H new ATOM 0 HA GLN A 25 -6.377 -4.996 6.926 1.00 61.12 H new ATOM 0 HB2 GLN A 25 -8.414 -5.768 4.799 1.00 50.21 H new ATOM 0 HB3 GLN A 25 -7.495 -6.847 5.829 1.00 50.21 H new ATOM 0 HG2 GLN A 25 -8.704 -5.872 7.823 1.00 35.12 H new ATOM 0 HG3 GLN A 25 -9.697 -4.948 6.713 1.00 35.12 H new ATOM 0 HE21 GLN A 25 -10.580 -7.054 8.557 1.00 12.22 H new ATOM 0 HE22 GLN A 25 -11.315 -8.292 7.533 1.00 12.22 H new ATOM 421 N LEU A 26 -6.012 -3.614 4.109 1.00 34.32 N ATOM 422 CA LEU A 26 -5.196 -3.408 2.911 1.00 61.32 C ATOM 423 C LEU A 26 -3.893 -2.638 3.216 1.00 32.44 C ATOM 424 O LEU A 26 -2.849 -2.910 2.629 1.00 41.53 O ATOM 425 CB LEU A 26 -6.051 -2.664 1.868 1.00 33.42 C ATOM 426 CG LEU A 26 -5.290 -1.972 0.728 1.00 41.31 C ATOM 427 CD1 LEU A 26 -4.597 -2.998 -0.163 1.00 14.32 C ATOM 428 CD2 LEU A 26 -6.230 -1.087 -0.083 1.00 11.25 C ATOM 0 H LEU A 26 -6.609 -2.820 4.340 1.00 34.32 H new ATOM 0 HA LEU A 26 -4.886 -4.377 2.521 1.00 61.32 H new ATOM 0 HB2 LEU A 26 -6.750 -3.376 1.429 1.00 33.42 H new ATOM 0 HB3 LEU A 26 -6.645 -1.912 2.387 1.00 33.42 H new ATOM 0 HG LEU A 26 -4.520 -1.337 1.165 1.00 41.31 H new ATOM 0 HD11 LEU A 26 -4.065 -2.484 -0.963 1.00 14.32 H new ATOM 0 HD12 LEU A 26 -3.889 -3.576 0.431 1.00 14.32 H new ATOM 0 HD13 LEU A 26 -5.341 -3.667 -0.594 1.00 14.32 H new ATOM 0 HD21 LEU A 26 -5.673 -0.605 -0.886 1.00 11.25 H new ATOM 0 HD22 LEU A 26 -7.027 -1.697 -0.509 1.00 11.25 H new ATOM 0 HD23 LEU A 26 -6.663 -0.326 0.566 1.00 11.25 H new ATOM 440 N GLU A 27 -3.951 -1.699 4.154 1.00 12.43 N ATOM 441 CA GLU A 27 -2.811 -0.822 4.446 1.00 61.24 C ATOM 442 C GLU A 27 -1.844 -1.454 5.457 1.00 63.40 C ATOM 443 O GLU A 27 -0.668 -1.096 5.503 1.00 35.12 O ATOM 444 CB GLU A 27 -3.306 0.533 4.967 1.00 43.15 C ATOM 445 CG GLU A 27 -3.972 0.466 6.338 1.00 21.42 C ATOM 446 CD GLU A 27 -4.673 1.760 6.718 1.00 25.35 C ATOM 447 OE1 GLU A 27 -3.990 2.799 6.835 1.00 73.05 O ATOM 448 OE2 GLU A 27 -5.907 1.743 6.914 1.00 45.32 O ATOM 0 H GLU A 27 -4.775 -1.521 4.729 1.00 12.43 H new ATOM 0 HA GLU A 27 -2.264 -0.675 3.515 1.00 61.24 H new ATOM 0 HB2 GLU A 27 -2.462 1.221 5.018 1.00 43.15 H new ATOM 0 HB3 GLU A 27 -4.014 0.949 4.251 1.00 43.15 H new ATOM 0 HG2 GLU A 27 -4.696 -0.349 6.346 1.00 21.42 H new ATOM 0 HG3 GLU A 27 -3.220 0.231 7.091 1.00 21.42 H new ATOM 455 N GLU A 28 -2.338 -2.402 6.255 1.00 12.34 N ATOM 456 CA GLU A 28 -1.503 -3.095 7.252 1.00 40.34 C ATOM 457 C GLU A 28 -0.282 -3.768 6.599 1.00 5.12 C ATOM 458 O GLU A 28 0.752 -3.963 7.234 1.00 42.10 O ATOM 459 CB GLU A 28 -2.335 -4.143 8.008 1.00 61.35 C ATOM 460 CG GLU A 28 -2.930 -5.234 7.114 1.00 35.41 C ATOM 461 CD GLU A 28 -3.632 -6.320 7.917 1.00 2.32 C ATOM 462 OE1 GLU A 28 -2.947 -7.265 8.369 1.00 15.20 O ATOM 463 OE2 GLU A 28 -4.860 -6.223 8.123 1.00 31.43 O ATOM 0 H GLU A 28 -3.310 -2.711 6.235 1.00 12.34 H new ATOM 0 HA GLU A 28 -1.139 -2.346 7.955 1.00 40.34 H new ATOM 0 HB2 GLU A 28 -1.707 -4.612 8.766 1.00 61.35 H new ATOM 0 HB3 GLU A 28 -3.145 -3.637 8.534 1.00 61.35 H new ATOM 0 HG2 GLU A 28 -3.639 -4.784 6.418 1.00 35.41 H new ATOM 0 HG3 GLU A 28 -2.137 -5.683 6.516 1.00 35.41 H new ATOM 470 N GLN A 29 -0.416 -4.119 5.324 1.00 2.13 N ATOM 471 CA GLN A 29 0.679 -4.740 4.562 1.00 43.40 C ATOM 472 C GLN A 29 1.439 -3.707 3.713 1.00 61.34 C ATOM 473 O GLN A 29 2.453 -4.021 3.097 1.00 35.44 O ATOM 474 CB GLN A 29 0.114 -5.856 3.673 1.00 3.24 C ATOM 475 CG GLN A 29 -1.049 -5.408 2.796 1.00 34.42 C ATOM 476 CD GLN A 29 -1.794 -6.568 2.170 1.00 45.42 C ATOM 477 OE1 GLN A 29 -1.213 -7.595 1.847 1.00 73.12 O ATOM 478 NE2 GLN A 29 -3.095 -6.425 2.029 1.00 25.33 N ATOM 0 H GLN A 29 -1.274 -3.986 4.788 1.00 2.13 H new ATOM 0 HA GLN A 29 1.392 -5.163 5.270 1.00 43.40 H new ATOM 0 HB2 GLN A 29 0.911 -6.240 3.036 1.00 3.24 H new ATOM 0 HB3 GLN A 29 -0.215 -6.681 4.305 1.00 3.24 H new ATOM 0 HG2 GLN A 29 -1.743 -4.817 3.394 1.00 34.42 H new ATOM 0 HG3 GLN A 29 -0.673 -4.756 2.008 1.00 34.42 H new ATOM 0 HE21 GLN A 29 -3.546 -5.554 2.309 1.00 25.33 H new ATOM 0 HE22 GLN A 29 -3.652 -7.185 1.639 1.00 25.33 H new ATOM 487 N LEU A 30 0.946 -2.471 3.697 1.00 64.33 N ATOM 488 CA LEU A 30 1.585 -1.384 2.942 1.00 71.41 C ATOM 489 C LEU A 30 2.278 -0.370 3.874 1.00 64.20 C ATOM 490 O LEU A 30 3.099 0.433 3.430 1.00 30.24 O ATOM 491 CB LEU A 30 0.542 -0.677 2.065 1.00 24.12 C ATOM 492 CG LEU A 30 -0.182 -1.587 1.056 1.00 4.31 C ATOM 493 CD1 LEU A 30 -1.179 -0.792 0.214 1.00 11.44 C ATOM 494 CD2 LEU A 30 0.821 -2.317 0.163 1.00 3.21 C ATOM 0 H LEU A 30 0.103 -2.192 4.199 1.00 64.33 H new ATOM 0 HA LEU A 30 2.355 -1.823 2.308 1.00 71.41 H new ATOM 0 HB2 LEU A 30 -0.202 -0.214 2.713 1.00 24.12 H new ATOM 0 HB3 LEU A 30 1.034 0.128 1.518 1.00 24.12 H new ATOM 0 HG LEU A 30 -0.740 -2.333 1.621 1.00 4.31 H new ATOM 0 HD11 LEU A 30 -1.675 -1.460 -0.490 1.00 11.44 H new ATOM 0 HD12 LEU A 30 -1.923 -0.335 0.866 1.00 11.44 H new ATOM 0 HD13 LEU A 30 -0.651 -0.013 -0.336 1.00 11.44 H new ATOM 0 HD21 LEU A 30 0.285 -2.954 -0.541 1.00 3.21 H new ATOM 0 HD22 LEU A 30 1.416 -1.588 -0.387 1.00 3.21 H new ATOM 0 HD23 LEU A 30 1.478 -2.931 0.780 1.00 3.21 H new ATOM 506 N ARG A 31 1.951 -0.404 5.172 1.00 41.04 N ATOM 507 CA ARG A 31 2.603 0.485 6.147 1.00 74.35 C ATOM 508 C ARG A 31 3.039 -0.224 7.465 1.00 70.11 C ATOM 509 O ARG A 31 3.010 0.397 8.528 1.00 64.14 O ATOM 510 CB ARG A 31 1.682 1.677 6.477 1.00 61.41 C ATOM 511 CG ARG A 31 0.376 1.296 7.179 1.00 22.00 C ATOM 512 CD ARG A 31 -0.393 2.531 7.638 1.00 2.33 C ATOM 513 NE ARG A 31 -1.590 2.191 8.405 1.00 50.10 N ATOM 514 CZ ARG A 31 -1.897 2.716 9.560 1.00 2.12 C ATOM 515 NH1 ARG A 31 -1.101 3.566 10.129 1.00 43.22 N ATOM 516 NH2 ARG A 31 -2.994 2.372 10.151 1.00 23.32 N ATOM 0 H ARG A 31 1.249 -1.028 5.569 1.00 41.04 H new ATOM 0 HA ARG A 31 3.520 0.830 5.668 1.00 74.35 H new ATOM 0 HB2 ARG A 31 2.228 2.378 7.109 1.00 61.41 H new ATOM 0 HB3 ARG A 31 1.443 2.202 5.552 1.00 61.41 H new ATOM 0 HG2 ARG A 31 -0.245 0.710 6.501 1.00 22.00 H new ATOM 0 HG3 ARG A 31 0.595 0.662 8.038 1.00 22.00 H new ATOM 0 HD2 ARG A 31 0.260 3.156 8.247 1.00 2.33 H new ATOM 0 HD3 ARG A 31 -0.679 3.122 6.768 1.00 2.33 H new ATOM 0 HE ARG A 31 -2.227 1.498 8.012 1.00 50.10 H new ATOM 0 HH11 ARG A 31 -0.227 3.830 9.674 1.00 43.22 H new ATOM 0 HH12 ARG A 31 -1.349 3.971 11.032 1.00 43.22 H new ATOM 0 HH21 ARG A 31 -3.617 1.692 9.715 1.00 23.32 H new ATOM 0 HH22 ARG A 31 -3.237 2.780 11.054 1.00 23.32 H new ATOM 530 N PRO A 32 3.497 -1.505 7.436 1.00 41.40 N ATOM 531 CA PRO A 32 4.036 -2.168 8.642 1.00 20.31 C ATOM 532 C PRO A 32 5.532 -1.866 8.864 1.00 24.14 C ATOM 533 O PRO A 32 6.228 -2.588 9.583 1.00 12.32 O ATOM 534 CB PRO A 32 3.830 -3.648 8.315 1.00 5.40 C ATOM 535 CG PRO A 32 4.037 -3.724 6.838 1.00 13.24 C ATOM 536 CD PRO A 32 3.520 -2.419 6.271 1.00 40.24 C ATOM 0 HA PRO A 32 3.549 -1.834 9.558 1.00 20.31 H new ATOM 0 HB2 PRO A 32 4.540 -4.278 8.851 1.00 5.40 H new ATOM 0 HB3 PRO A 32 2.832 -3.984 8.596 1.00 5.40 H new ATOM 0 HG2 PRO A 32 5.092 -3.861 6.599 1.00 13.24 H new ATOM 0 HG3 PRO A 32 3.501 -4.573 6.413 1.00 13.24 H new ATOM 0 HD2 PRO A 32 4.170 -2.042 5.481 1.00 40.24 H new ATOM 0 HD3 PRO A 32 2.527 -2.538 5.838 1.00 40.24 H new ATOM 544 N LEU A 33 6.014 -0.788 8.246 1.00 63.10 N ATOM 545 CA LEU A 33 7.434 -0.421 8.292 1.00 55.24 C ATOM 546 C LEU A 33 7.777 0.351 9.584 1.00 61.24 C ATOM 547 O LEU A 33 6.901 0.966 10.194 1.00 62.25 O ATOM 548 CB LEU A 33 7.808 0.412 7.051 1.00 54.02 C ATOM 549 CG LEU A 33 7.646 -0.300 5.690 1.00 72.54 C ATOM 550 CD1 LEU A 33 6.181 -0.442 5.292 1.00 70.13 C ATOM 551 CD2 LEU A 33 8.418 0.430 4.599 1.00 51.01 C ATOM 0 H LEU A 33 5.437 -0.146 7.702 1.00 63.10 H new ATOM 0 HA LEU A 33 8.019 -1.341 8.292 1.00 55.24 H new ATOM 0 HB2 LEU A 33 7.195 1.313 7.043 1.00 54.02 H new ATOM 0 HB3 LEU A 33 8.845 0.733 7.151 1.00 54.02 H new ATOM 0 HG LEU A 33 8.059 -1.302 5.804 1.00 72.54 H new ATOM 0 HD11 LEU A 33 6.113 -0.948 4.329 1.00 70.13 H new ATOM 0 HD12 LEU A 33 5.654 -1.026 6.047 1.00 70.13 H new ATOM 0 HD13 LEU A 33 5.727 0.546 5.216 1.00 70.13 H new ATOM 0 HD21 LEU A 33 8.288 -0.091 3.650 1.00 51.01 H new ATOM 0 HD22 LEU A 33 8.043 1.449 4.508 1.00 51.01 H new ATOM 0 HD23 LEU A 33 9.477 0.455 4.857 1.00 51.01 H new ATOM 563 N PRO A 34 9.058 0.338 10.011 1.00 2.23 N ATOM 564 CA PRO A 34 9.474 0.939 11.292 1.00 31.15 C ATOM 565 C PRO A 34 9.229 2.457 11.388 1.00 54.51 C ATOM 566 O PRO A 34 8.634 2.932 12.362 1.00 44.01 O ATOM 567 CB PRO A 34 10.980 0.625 11.368 1.00 41.14 C ATOM 568 CG PRO A 34 11.392 0.369 9.958 1.00 72.22 C ATOM 569 CD PRO A 34 10.200 -0.265 9.294 1.00 14.51 C ATOM 0 HA PRO A 34 8.889 0.532 12.117 1.00 31.15 H new ATOM 0 HB2 PRO A 34 11.536 1.459 11.797 1.00 41.14 H new ATOM 0 HB3 PRO A 34 11.171 -0.243 11.999 1.00 41.14 H new ATOM 0 HG2 PRO A 34 11.672 1.296 9.457 1.00 72.22 H new ATOM 0 HG3 PRO A 34 12.259 -0.290 9.917 1.00 72.22 H new ATOM 0 HD2 PRO A 34 10.168 -0.044 8.227 1.00 14.51 H new ATOM 0 HD3 PRO A 34 10.212 -1.350 9.395 1.00 14.51 H new ATOM 577 N ALA A 35 9.682 3.228 10.394 1.00 42.03 N ATOM 578 CA ALA A 35 9.592 4.692 10.479 1.00 71.02 C ATOM 579 C ALA A 35 9.409 5.369 9.111 1.00 61.13 C ATOM 580 O ALA A 35 10.381 5.702 8.427 1.00 23.05 O ATOM 581 CB ALA A 35 10.817 5.251 11.192 1.00 44.14 C ATOM 0 H ALA A 35 10.107 2.874 9.537 1.00 42.03 H new ATOM 0 HA ALA A 35 8.695 4.919 11.056 1.00 71.02 H new ATOM 0 HB1 ALA A 35 10.740 6.337 11.250 1.00 44.14 H new ATOM 0 HB2 ALA A 35 10.872 4.837 12.199 1.00 44.14 H new ATOM 0 HB3 ALA A 35 11.716 4.980 10.638 1.00 44.14 H new ATOM 587 N HIS A 36 8.150 5.585 8.733 1.00 75.41 N ATOM 588 CA HIS A 36 7.815 6.316 7.505 1.00 53.34 C ATOM 589 C HIS A 36 6.349 6.778 7.531 1.00 32.11 C ATOM 590 O HIS A 36 5.667 6.653 8.548 1.00 12.11 O ATOM 591 CB HIS A 36 8.083 5.450 6.261 1.00 14.21 C ATOM 592 CG HIS A 36 7.063 4.375 6.008 1.00 20.54 C ATOM 593 ND1 HIS A 36 6.327 3.767 7.004 1.00 4.02 N ATOM 594 CD2 HIS A 36 6.637 3.823 4.847 1.00 70.31 C ATOM 595 CE1 HIS A 36 5.498 2.895 6.470 1.00 32.04 C ATOM 596 NE2 HIS A 36 5.662 2.909 5.162 1.00 22.14 N ATOM 0 H HIS A 36 7.339 5.263 9.261 1.00 75.41 H new ATOM 0 HA HIS A 36 8.454 7.197 7.452 1.00 53.34 H new ATOM 0 HB2 HIS A 36 8.130 6.100 5.387 1.00 14.21 H new ATOM 0 HB3 HIS A 36 9.063 4.984 6.365 1.00 14.21 H new ATOM 0 HD1 HIS A 36 6.412 3.963 8.001 1.00 4.02 H new ATOM 0 HD2 HIS A 36 6.998 4.058 3.857 1.00 70.31 H new ATOM 0 HE1 HIS A 36 4.801 2.273 7.012 1.00 32.04 H new ATOM 605 N ASP A 37 5.867 7.304 6.413 1.00 53.01 N ATOM 606 CA ASP A 37 4.478 7.758 6.306 1.00 60.21 C ATOM 607 C ASP A 37 3.748 6.998 5.176 1.00 5.15 C ATOM 608 O ASP A 37 4.345 6.161 4.496 1.00 3.42 O ATOM 609 CB ASP A 37 4.469 9.278 6.076 1.00 50.44 C ATOM 610 CG ASP A 37 3.081 9.885 6.147 1.00 0.21 C ATOM 611 OD1 ASP A 37 2.452 9.821 7.226 1.00 25.32 O ATOM 612 OD2 ASP A 37 2.607 10.411 5.120 1.00 13.20 O ATOM 0 H ASP A 37 6.416 7.429 5.562 1.00 53.01 H new ATOM 0 HA ASP A 37 3.941 7.544 7.230 1.00 60.21 H new ATOM 0 HB2 ASP A 37 5.106 9.755 6.821 1.00 50.44 H new ATOM 0 HB3 ASP A 37 4.903 9.494 5.100 1.00 50.44 H new ATOM 617 N TYR A 38 2.463 7.275 4.983 1.00 32.20 N ATOM 618 CA TYR A 38 1.659 6.561 3.981 1.00 45.31 C ATOM 619 C TYR A 38 0.679 7.505 3.264 1.00 33.24 C ATOM 620 O TYR A 38 0.425 8.617 3.722 1.00 72.34 O ATOM 621 CB TYR A 38 0.893 5.414 4.651 1.00 0.45 C ATOM 622 CG TYR A 38 -0.019 5.866 5.776 1.00 22.14 C ATOM 623 CD1 TYR A 38 0.468 6.027 7.070 1.00 34.14 C ATOM 624 CD2 TYR A 38 -1.364 6.139 5.546 1.00 4.45 C ATOM 625 CE1 TYR A 38 -0.356 6.444 8.096 1.00 41.03 C ATOM 626 CE2 TYR A 38 -2.190 6.560 6.569 1.00 42.24 C ATOM 627 CZ TYR A 38 -1.684 6.708 7.840 1.00 3.45 C ATOM 628 OH TYR A 38 -2.504 7.136 8.857 1.00 71.25 O ATOM 0 H TYR A 38 1.951 7.987 5.503 1.00 32.20 H new ATOM 0 HA TYR A 38 2.338 6.156 3.230 1.00 45.31 H new ATOM 0 HB2 TYR A 38 0.298 4.897 3.898 1.00 0.45 H new ATOM 0 HB3 TYR A 38 1.608 4.691 5.043 1.00 0.45 H new ATOM 0 HD1 TYR A 38 1.508 5.822 7.275 1.00 34.14 H new ATOM 0 HD2 TYR A 38 -1.768 6.020 4.552 1.00 4.45 H new ATOM 0 HE1 TYR A 38 0.038 6.563 9.094 1.00 41.03 H new ATOM 0 HE2 TYR A 38 -3.230 6.773 6.372 1.00 42.24 H new ATOM 0 HH TYR A 38 -3.409 7.278 8.509 1.00 71.25 H new ATOM 638 N PHE A 39 0.129 7.052 2.141 1.00 42.14 N ATOM 639 CA PHE A 39 -0.833 7.849 1.372 1.00 44.13 C ATOM 640 C PHE A 39 -2.274 7.360 1.560 1.00 51.33 C ATOM 641 O PHE A 39 -2.533 6.383 2.263 1.00 71.24 O ATOM 642 CB PHE A 39 -0.469 7.832 -0.121 1.00 70.20 C ATOM 643 CG PHE A 39 0.389 8.994 -0.540 1.00 23.32 C ATOM 644 CD1 PHE A 39 -0.202 10.196 -0.899 1.00 11.12 C ATOM 645 CD2 PHE A 39 1.773 8.894 -0.574 1.00 34.55 C ATOM 646 CE1 PHE A 39 0.563 11.273 -1.284 1.00 45.54 C ATOM 647 CE2 PHE A 39 2.547 9.974 -0.960 1.00 14.40 C ATOM 648 CZ PHE A 39 1.942 11.165 -1.315 1.00 5.42 C ATOM 0 H PHE A 39 0.331 6.136 1.739 1.00 42.14 H new ATOM 0 HA PHE A 39 -0.778 8.869 1.751 1.00 44.13 H new ATOM 0 HB2 PHE A 39 0.054 6.903 -0.349 1.00 70.20 H new ATOM 0 HB3 PHE A 39 -1.386 7.835 -0.711 1.00 70.20 H new ATOM 0 HD1 PHE A 39 -1.278 10.288 -0.876 1.00 11.12 H new ATOM 0 HD2 PHE A 39 2.250 7.965 -0.297 1.00 34.55 H new ATOM 0 HE1 PHE A 39 0.087 12.202 -1.562 1.00 45.54 H new ATOM 0 HE2 PHE A 39 3.623 9.886 -0.984 1.00 14.40 H new ATOM 0 HZ PHE A 39 2.544 12.009 -1.616 1.00 5.42 H new ATOM 658 N GLU A 40 -3.204 8.065 0.924 1.00 75.42 N ATOM 659 CA GLU A 40 -4.621 7.709 0.959 1.00 32.45 C ATOM 660 C GLU A 40 -4.880 6.337 0.308 1.00 61.00 C ATOM 661 O GLU A 40 -4.678 6.154 -0.894 1.00 31.22 O ATOM 662 CB GLU A 40 -5.446 8.806 0.264 1.00 12.15 C ATOM 663 CG GLU A 40 -4.934 9.189 -1.124 1.00 72.22 C ATOM 664 CD GLU A 40 -5.770 10.276 -1.778 1.00 22.51 C ATOM 665 OE1 GLU A 40 -5.569 11.466 -1.455 1.00 15.42 O ATOM 666 OE2 GLU A 40 -6.636 9.950 -2.618 1.00 51.53 O ATOM 0 H GLU A 40 -2.999 8.897 0.371 1.00 75.42 H new ATOM 0 HA GLU A 40 -4.929 7.632 2.002 1.00 32.45 H new ATOM 0 HB2 GLU A 40 -6.479 8.469 0.178 1.00 12.15 H new ATOM 0 HB3 GLU A 40 -5.453 9.695 0.895 1.00 12.15 H new ATOM 0 HG2 GLU A 40 -3.901 9.529 -1.045 1.00 72.22 H new ATOM 0 HG3 GLU A 40 -4.931 8.305 -1.762 1.00 72.22 H new ATOM 673 N PHE A 41 -5.317 5.373 1.114 1.00 75.20 N ATOM 674 CA PHE A 41 -5.606 4.022 0.618 1.00 24.44 C ATOM 675 C PHE A 41 -7.097 3.845 0.309 1.00 32.11 C ATOM 676 O PHE A 41 -7.959 4.234 1.099 1.00 72.11 O ATOM 677 CB PHE A 41 -5.152 2.962 1.631 1.00 1.44 C ATOM 678 CG PHE A 41 -3.670 2.994 1.908 1.00 50.22 C ATOM 679 CD1 PHE A 41 -2.763 2.555 0.952 1.00 0.45 C ATOM 680 CD2 PHE A 41 -3.183 3.470 3.117 1.00 63.42 C ATOM 681 CE1 PHE A 41 -1.402 2.591 1.199 1.00 14.24 C ATOM 682 CE2 PHE A 41 -1.827 3.504 3.368 1.00 2.32 C ATOM 683 CZ PHE A 41 -0.935 3.065 2.408 1.00 24.32 C ATOM 0 H PHE A 41 -5.480 5.498 2.113 1.00 75.20 H new ATOM 0 HA PHE A 41 -5.048 3.889 -0.309 1.00 24.44 H new ATOM 0 HB2 PHE A 41 -5.692 3.109 2.566 1.00 1.44 H new ATOM 0 HB3 PHE A 41 -5.423 1.974 1.258 1.00 1.44 H new ATOM 0 HD1 PHE A 41 -3.124 2.181 0.005 1.00 0.45 H new ATOM 0 HD2 PHE A 41 -3.874 3.818 3.871 1.00 63.42 H new ATOM 0 HE1 PHE A 41 -0.706 2.249 0.447 1.00 14.24 H new ATOM 0 HE2 PHE A 41 -1.462 3.874 4.315 1.00 2.32 H new ATOM 0 HZ PHE A 41 0.127 3.093 2.604 1.00 24.32 H new ATOM 693 N PHE A 42 -7.388 3.248 -0.844 1.00 53.52 N ATOM 694 CA PHE A 42 -8.769 3.025 -1.283 1.00 2.43 C ATOM 695 C PHE A 42 -9.495 1.985 -0.409 1.00 13.34 C ATOM 696 O PHE A 42 -8.886 1.043 0.105 1.00 0.25 O ATOM 697 CB PHE A 42 -8.782 2.574 -2.754 1.00 35.43 C ATOM 698 CG PHE A 42 -8.058 1.270 -3.006 1.00 31.41 C ATOM 699 CD1 PHE A 42 -6.697 1.254 -3.289 1.00 23.34 C ATOM 700 CD2 PHE A 42 -8.739 0.061 -2.963 1.00 64.13 C ATOM 701 CE1 PHE A 42 -6.036 0.063 -3.520 1.00 2.41 C ATOM 702 CE2 PHE A 42 -8.081 -1.132 -3.195 1.00 23.43 C ATOM 703 CZ PHE A 42 -6.728 -1.131 -3.473 1.00 2.41 C ATOM 0 H PHE A 42 -6.683 2.907 -1.497 1.00 53.52 H new ATOM 0 HA PHE A 42 -9.304 3.969 -1.180 1.00 2.43 H new ATOM 0 HB2 PHE A 42 -9.816 2.472 -3.083 1.00 35.43 H new ATOM 0 HB3 PHE A 42 -8.328 3.353 -3.366 1.00 35.43 H new ATOM 0 HD1 PHE A 42 -6.150 2.184 -3.329 1.00 23.34 H new ATOM 0 HD2 PHE A 42 -9.797 0.053 -2.745 1.00 64.13 H new ATOM 0 HE1 PHE A 42 -4.978 0.066 -3.737 1.00 2.41 H new ATOM 0 HE2 PHE A 42 -8.624 -2.065 -3.159 1.00 23.43 H new ATOM 0 HZ PHE A 42 -6.212 -2.063 -3.653 1.00 2.41 H new ATOM 713 N ALA A 43 -10.801 2.163 -0.245 1.00 23.34 N ATOM 714 CA ALA A 43 -11.636 1.187 0.457 1.00 75.21 C ATOM 715 C ALA A 43 -12.484 0.386 -0.543 1.00 12.52 C ATOM 716 O ALA A 43 -13.596 0.784 -0.895 1.00 62.45 O ATOM 717 CB ALA A 43 -12.523 1.883 1.486 1.00 73.14 C ATOM 0 H ALA A 43 -11.309 2.977 -0.589 1.00 23.34 H new ATOM 0 HA ALA A 43 -10.985 0.491 0.985 1.00 75.21 H new ATOM 0 HB1 ALA A 43 -13.137 1.142 1.998 1.00 73.14 H new ATOM 0 HB2 ALA A 43 -11.898 2.402 2.213 1.00 73.14 H new ATOM 0 HB3 ALA A 43 -13.168 2.603 0.983 1.00 73.14 H new ATOM 723 N ALA A 44 -11.937 -0.728 -1.025 1.00 52.41 N ATOM 724 CA ALA A 44 -12.612 -1.544 -2.040 1.00 22.21 C ATOM 725 C ALA A 44 -13.389 -2.707 -1.412 1.00 65.30 C ATOM 726 O ALA A 44 -12.796 -3.674 -0.933 1.00 43.32 O ATOM 727 CB ALA A 44 -11.597 -2.069 -3.046 1.00 13.41 C ATOM 0 H ALA A 44 -11.029 -1.089 -0.731 1.00 52.41 H new ATOM 0 HA ALA A 44 -13.333 -0.908 -2.553 1.00 22.21 H new ATOM 0 HB1 ALA A 44 -12.107 -2.674 -3.796 1.00 13.41 H new ATOM 0 HB2 ALA A 44 -11.100 -1.230 -3.533 1.00 13.41 H new ATOM 0 HB3 ALA A 44 -10.856 -2.680 -2.530 1.00 13.41 H new ATOM 733 N ASP A 45 -14.717 -2.605 -1.423 1.00 24.42 N ATOM 734 CA ASP A 45 -15.588 -3.647 -0.868 1.00 64.44 C ATOM 735 C ASP A 45 -15.247 -5.036 -1.444 1.00 73.23 C ATOM 736 O ASP A 45 -14.969 -5.176 -2.636 1.00 53.23 O ATOM 737 CB ASP A 45 -17.054 -3.296 -1.149 1.00 52.22 C ATOM 738 CG ASP A 45 -18.020 -4.264 -0.492 1.00 12.31 C ATOM 739 OD1 ASP A 45 -18.261 -4.134 0.725 1.00 40.23 O ATOM 740 OD2 ASP A 45 -18.532 -5.164 -1.185 1.00 60.14 O ATOM 0 H ASP A 45 -15.219 -1.807 -1.812 1.00 24.42 H new ATOM 0 HA ASP A 45 -15.425 -3.691 0.209 1.00 64.44 H new ATOM 0 HB2 ASP A 45 -17.257 -2.286 -0.792 1.00 52.22 H new ATOM 0 HB3 ASP A 45 -17.224 -3.293 -2.226 1.00 52.22 H new ATOM 745 N LEU A 46 -15.274 -6.060 -0.589 1.00 50.14 N ATOM 746 CA LEU A 46 -14.904 -7.428 -0.994 1.00 12.53 C ATOM 747 C LEU A 46 -15.844 -8.000 -2.073 1.00 71.01 C ATOM 748 O LEU A 46 -15.578 -9.060 -2.639 1.00 30.34 O ATOM 749 CB LEU A 46 -14.855 -8.367 0.227 1.00 52.20 C ATOM 750 CG LEU A 46 -16.209 -8.735 0.871 1.00 33.23 C ATOM 751 CD1 LEU A 46 -16.009 -9.741 2.003 1.00 34.22 C ATOM 752 CD2 LEU A 46 -16.939 -7.496 1.383 1.00 3.03 C ATOM 0 H LEU A 46 -15.548 -5.973 0.390 1.00 50.14 H new ATOM 0 HA LEU A 46 -13.909 -7.365 -1.434 1.00 12.53 H new ATOM 0 HB2 LEU A 46 -14.358 -9.290 -0.073 1.00 52.20 H new ATOM 0 HB3 LEU A 46 -14.230 -7.902 0.990 1.00 52.20 H new ATOM 0 HG LEU A 46 -16.829 -9.193 0.100 1.00 33.23 H new ATOM 0 HD11 LEU A 46 -16.974 -9.988 2.445 1.00 34.22 H new ATOM 0 HD12 LEU A 46 -15.548 -10.646 1.608 1.00 34.22 H new ATOM 0 HD13 LEU A 46 -15.362 -9.307 2.765 1.00 34.22 H new ATOM 0 HD21 LEU A 46 -17.888 -7.792 1.830 1.00 3.03 H new ATOM 0 HD22 LEU A 46 -16.325 -6.996 2.132 1.00 3.03 H new ATOM 0 HD23 LEU A 46 -17.126 -6.815 0.553 1.00 3.03 H new ATOM 866 N TYR A 53 -10.303 1.683 -11.075 1.00 44.32 N ATOM 867 CA TYR A 53 -8.857 1.858 -10.892 1.00 61.33 C ATOM 868 C TYR A 53 -8.484 2.076 -9.412 1.00 64.32 C ATOM 869 O TYR A 53 -8.373 3.201 -8.929 1.00 34.10 O ATOM 870 CB TYR A 53 -8.314 2.992 -11.787 1.00 52.50 C ATOM 871 CG TYR A 53 -9.008 4.338 -11.628 1.00 22.14 C ATOM 872 CD1 TYR A 53 -10.280 4.553 -12.149 1.00 33.53 C ATOM 873 CD2 TYR A 53 -8.380 5.399 -10.977 1.00 44.10 C ATOM 874 CE1 TYR A 53 -10.905 5.778 -12.025 1.00 73.00 C ATOM 875 CE2 TYR A 53 -9.002 6.625 -10.848 1.00 52.42 C ATOM 876 CZ TYR A 53 -10.264 6.810 -11.375 1.00 62.32 C ATOM 877 OH TYR A 53 -10.886 8.035 -11.253 1.00 52.22 O ATOM 0 HA TYR A 53 -8.378 0.930 -11.205 1.00 61.33 H new ATOM 0 HB2 TYR A 53 -7.253 3.122 -11.576 1.00 52.50 H new ATOM 0 HB3 TYR A 53 -8.396 2.681 -12.828 1.00 52.50 H new ATOM 0 HD1 TYR A 53 -10.787 3.748 -12.659 1.00 33.53 H new ATOM 0 HD2 TYR A 53 -7.391 5.260 -10.567 1.00 44.10 H new ATOM 0 HE1 TYR A 53 -11.893 5.927 -12.436 1.00 73.00 H new ATOM 0 HE2 TYR A 53 -8.503 7.435 -10.337 1.00 52.42 H new ATOM 0 HH TYR A 53 -10.300 8.653 -10.768 1.00 52.22 H new ATOM 887 N SER A 54 -8.325 0.967 -8.698 1.00 13.23 N ATOM 888 CA SER A 54 -7.932 0.988 -7.287 1.00 43.13 C ATOM 889 C SER A 54 -6.427 1.254 -7.133 1.00 35.22 C ATOM 890 O SER A 54 -5.607 0.336 -7.187 1.00 4.43 O ATOM 891 CB SER A 54 -8.310 -0.342 -6.619 1.00 5.13 C ATOM 892 OG SER A 54 -7.781 -1.449 -7.335 1.00 61.02 O ATOM 0 H SER A 54 -8.463 0.030 -9.076 1.00 13.23 H new ATOM 0 HA SER A 54 -8.467 1.801 -6.795 1.00 43.13 H new ATOM 0 HB2 SER A 54 -7.936 -0.356 -5.595 1.00 5.13 H new ATOM 0 HB3 SER A 54 -9.395 -0.428 -6.563 1.00 5.13 H new ATOM 0 HG SER A 54 -6.865 -1.248 -7.618 1.00 61.02 H new ATOM 898 N ARG A 55 -6.073 2.525 -6.951 1.00 74.33 N ATOM 899 CA ARG A 55 -4.669 2.945 -6.864 1.00 43.14 C ATOM 900 C ARG A 55 -4.278 3.322 -5.420 1.00 1.00 C ATOM 901 O ARG A 55 -5.076 3.891 -4.676 1.00 23.34 O ATOM 902 CB ARG A 55 -4.445 4.138 -7.809 1.00 34.10 C ATOM 903 CG ARG A 55 -3.000 4.615 -7.893 1.00 1.24 C ATOM 904 CD ARG A 55 -2.088 3.587 -8.555 1.00 24.23 C ATOM 905 NE ARG A 55 -2.459 3.325 -9.948 1.00 35.41 N ATOM 906 CZ ARG A 55 -1.608 3.303 -10.941 1.00 71.44 C ATOM 907 NH1 ARG A 55 -0.360 3.601 -10.749 1.00 61.15 N ATOM 908 NH2 ARG A 55 -2.013 3.010 -12.133 1.00 1.42 N ATOM 0 H ARG A 55 -6.742 3.289 -6.860 1.00 74.33 H new ATOM 0 HA ARG A 55 -4.035 2.110 -7.163 1.00 43.14 H new ATOM 0 HB2 ARG A 55 -4.782 3.862 -8.808 1.00 34.10 H new ATOM 0 HB3 ARG A 55 -5.070 4.968 -7.480 1.00 34.10 H new ATOM 0 HG2 ARG A 55 -2.960 5.548 -8.455 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -2.632 4.831 -6.890 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -1.058 3.941 -8.517 1.00 24.23 H new ATOM 0 HD3 ARG A 55 -2.126 2.655 -7.991 1.00 24.23 H new ATOM 0 HE ARG A 55 -3.442 3.149 -10.156 1.00 35.41 H new ATOM 0 HH11 ARG A 55 -0.034 3.856 -9.817 1.00 61.15 H new ATOM 0 HH12 ARG A 55 0.295 3.581 -11.530 1.00 61.15 H new ATOM 0 HH21 ARG A 55 -2.996 2.796 -12.299 1.00 1.42 H new ATOM 0 HH22 ARG A 55 -1.349 2.993 -12.907 1.00 1.42 H new ATOM 922 N ALA A 56 -3.042 2.995 -5.036 1.00 71.04 N ATOM 923 CA ALA A 56 -2.523 3.322 -3.700 1.00 53.51 C ATOM 924 C ALA A 56 -1.030 3.694 -3.758 1.00 71.21 C ATOM 925 O ALA A 56 -0.323 3.307 -4.689 1.00 64.04 O ATOM 926 CB ALA A 56 -2.742 2.148 -2.750 1.00 70.32 C ATOM 0 H ALA A 56 -2.377 2.502 -5.632 1.00 71.04 H new ATOM 0 HA ALA A 56 -3.069 4.188 -3.326 1.00 53.51 H new ATOM 0 HB1 ALA A 56 -2.354 2.401 -1.763 1.00 70.32 H new ATOM 0 HB2 ALA A 56 -3.808 1.933 -2.676 1.00 70.32 H new ATOM 0 HB3 ALA A 56 -2.221 1.270 -3.131 1.00 70.32 H new ATOM 932 N TYR A 57 -0.555 4.446 -2.762 1.00 35.42 N ATOM 933 CA TYR A 57 0.854 4.880 -2.715 1.00 12.42 C ATOM 934 C TYR A 57 1.416 4.843 -1.283 1.00 75.35 C ATOM 935 O TYR A 57 0.665 4.840 -0.306 1.00 51.42 O ATOM 936 CB TYR A 57 1.004 6.300 -3.289 1.00 32.40 C ATOM 937 CG TYR A 57 0.624 6.424 -4.754 1.00 54.33 C ATOM 938 CD1 TYR A 57 1.471 5.957 -5.751 1.00 30.11 C ATOM 939 CD2 TYR A 57 -0.583 7.001 -5.139 1.00 71.24 C ATOM 940 CE1 TYR A 57 1.132 6.063 -7.087 1.00 0.43 C ATOM 941 CE2 TYR A 57 -0.929 7.109 -6.471 1.00 31.23 C ATOM 942 CZ TYR A 57 -0.068 6.639 -7.442 1.00 34.22 C ATOM 943 OH TYR A 57 -0.411 6.738 -8.770 1.00 73.41 O ATOM 0 H TYR A 57 -1.120 4.769 -1.976 1.00 35.42 H new ATOM 0 HA TYR A 57 1.425 4.179 -3.324 1.00 12.42 H new ATOM 0 HB2 TYR A 57 0.385 6.982 -2.706 1.00 32.40 H new ATOM 0 HB3 TYR A 57 2.038 6.622 -3.165 1.00 32.40 H new ATOM 0 HD1 TYR A 57 2.412 5.503 -5.477 1.00 30.11 H new ATOM 0 HD2 TYR A 57 -1.260 7.370 -4.383 1.00 71.24 H new ATOM 0 HE1 TYR A 57 1.804 5.696 -7.848 1.00 0.43 H new ATOM 0 HE2 TYR A 57 -1.869 7.559 -6.752 1.00 31.23 H new ATOM 0 HH TYR A 57 -1.288 7.167 -8.850 1.00 73.41 H new ATOM 953 N ILE A 58 2.747 4.825 -1.171 1.00 71.11 N ATOM 954 CA ILE A 58 3.429 4.809 0.134 1.00 33.45 C ATOM 955 C ILE A 58 4.437 5.970 0.242 1.00 22.24 C ATOM 956 O ILE A 58 5.185 6.243 -0.698 1.00 11.12 O ATOM 957 CB ILE A 58 4.176 3.465 0.360 1.00 52.44 C ATOM 958 CG1 ILE A 58 3.227 2.272 0.137 1.00 64.52 C ATOM 959 CG2 ILE A 58 4.781 3.415 1.764 1.00 43.11 C ATOM 960 CD1 ILE A 58 3.908 0.918 0.225 1.00 22.24 C ATOM 0 H ILE A 58 3.380 4.821 -1.971 1.00 71.11 H new ATOM 0 HA ILE A 58 2.662 4.924 0.900 1.00 33.45 H new ATOM 0 HB ILE A 58 4.987 3.398 -0.366 1.00 52.44 H new ATOM 0 HG12 ILE A 58 2.427 2.314 0.876 1.00 64.52 H new ATOM 0 HG13 ILE A 58 2.761 2.370 -0.843 1.00 64.52 H new ATOM 0 HG21 ILE A 58 5.300 2.466 1.903 1.00 43.11 H new ATOM 0 HG22 ILE A 58 5.487 4.236 1.885 1.00 43.11 H new ATOM 0 HG23 ILE A 58 3.987 3.507 2.506 1.00 43.11 H new ATOM 0 HD11 ILE A 58 3.174 0.130 0.057 1.00 22.24 H new ATOM 0 HD12 ILE A 58 4.689 0.854 -0.532 1.00 22.24 H new ATOM 0 HD13 ILE A 58 4.350 0.797 1.214 1.00 22.24 H new ATOM 972 N ASN A 59 4.464 6.647 1.393 1.00 23.22 N ATOM 973 CA ASN A 59 5.348 7.805 1.582 1.00 11.25 C ATOM 974 C ASN A 59 6.588 7.442 2.423 1.00 72.41 C ATOM 975 O ASN A 59 6.573 7.508 3.654 1.00 4.22 O ATOM 976 CB ASN A 59 4.571 8.961 2.232 1.00 25.45 C ATOM 977 CG ASN A 59 5.411 10.214 2.414 1.00 13.23 C ATOM 978 OD1 ASN A 59 6.362 10.455 1.675 1.00 13.25 O ATOM 979 ND2 ASN A 59 5.061 11.032 3.385 1.00 34.13 N ATOM 0 H ASN A 59 3.889 6.417 2.204 1.00 23.22 H new ATOM 0 HA ASN A 59 5.702 8.122 0.601 1.00 11.25 H new ATOM 0 HB2 ASN A 59 3.703 9.199 1.617 1.00 25.45 H new ATOM 0 HB3 ASN A 59 4.195 8.638 3.203 1.00 25.45 H new ATOM 0 HD21 ASN A 59 5.585 11.893 3.540 1.00 34.13 H new ATOM 0 HD22 ASN A 59 4.266 10.804 3.982 1.00 34.13 H new ATOM 986 N PHE A 60 7.662 7.045 1.745 1.00 31.31 N ATOM 987 CA PHE A 60 8.917 6.678 2.414 1.00 65.12 C ATOM 988 C PHE A 60 9.676 7.911 2.930 1.00 55.21 C ATOM 989 O PHE A 60 9.886 8.880 2.198 1.00 40.15 O ATOM 990 CB PHE A 60 9.806 5.869 1.462 1.00 62.11 C ATOM 991 CG PHE A 60 9.379 4.432 1.339 1.00 33.24 C ATOM 992 CD1 PHE A 60 8.373 4.055 0.462 1.00 72.34 C ATOM 993 CD2 PHE A 60 9.980 3.459 2.118 1.00 24.43 C ATOM 994 CE1 PHE A 60 7.983 2.733 0.366 1.00 34.30 C ATOM 995 CE2 PHE A 60 9.593 2.143 2.027 1.00 1.02 C ATOM 996 CZ PHE A 60 8.593 1.775 1.150 1.00 25.22 C ATOM 0 H PHE A 60 7.693 6.968 0.728 1.00 31.31 H new ATOM 0 HA PHE A 60 8.661 6.066 3.279 1.00 65.12 H new ATOM 0 HB2 PHE A 60 9.790 6.333 0.476 1.00 62.11 H new ATOM 0 HB3 PHE A 60 10.836 5.907 1.815 1.00 62.11 H new ATOM 0 HD1 PHE A 60 7.890 4.801 -0.151 1.00 72.34 H new ATOM 0 HD2 PHE A 60 10.764 3.737 2.807 1.00 24.43 H new ATOM 0 HE1 PHE A 60 7.201 2.449 -0.323 1.00 34.30 H new ATOM 0 HE2 PHE A 60 10.072 1.396 2.643 1.00 1.02 H new ATOM 0 HZ PHE A 60 8.289 0.741 1.078 1.00 25.22 H new ATOM 1006 N ARG A 61 10.079 7.865 4.201 1.00 60.25 N ATOM 1007 CA ARG A 61 10.805 8.974 4.839 1.00 22.32 C ATOM 1008 C ARG A 61 12.228 8.560 5.254 1.00 0.02 C ATOM 1009 O ARG A 61 12.958 9.342 5.861 1.00 52.53 O ATOM 1010 CB ARG A 61 10.031 9.469 6.076 1.00 71.42 C ATOM 1011 CG ARG A 61 8.651 10.071 5.782 1.00 52.10 C ATOM 1012 CD ARG A 61 8.733 11.376 4.987 1.00 23.22 C ATOM 1013 NE ARG A 61 9.146 11.156 3.602 1.00 50.01 N ATOM 1014 CZ ARG A 61 9.652 12.072 2.827 1.00 51.41 C ATOM 1015 NH1 ARG A 61 9.811 13.284 3.246 1.00 41.30 N ATOM 1016 NH2 ARG A 61 10.009 11.763 1.626 1.00 33.12 N ATOM 0 H ARG A 61 9.915 7.068 4.816 1.00 60.25 H new ATOM 0 HA ARG A 61 10.887 9.778 4.107 1.00 22.32 H new ATOM 0 HB2 ARG A 61 9.907 8.634 6.766 1.00 71.42 H new ATOM 0 HB3 ARG A 61 10.635 10.218 6.588 1.00 71.42 H new ATOM 0 HG2 ARG A 61 8.055 9.348 5.225 1.00 52.10 H new ATOM 0 HG3 ARG A 61 8.132 10.255 6.722 1.00 52.10 H new ATOM 0 HD2 ARG A 61 7.761 11.869 5.000 1.00 23.22 H new ATOM 0 HD3 ARG A 61 9.439 12.051 5.472 1.00 23.22 H new ATOM 0 HE ARG A 61 9.030 10.219 3.216 1.00 50.01 H new ATOM 0 HH11 ARG A 61 9.539 13.535 4.196 1.00 41.30 H new ATOM 0 HH12 ARG A 61 10.209 13.990 2.626 1.00 41.30 H new ATOM 0 HH21 ARG A 61 9.894 10.807 1.290 1.00 33.12 H new ATOM 0 HH22 ARG A 61 10.406 12.475 1.013 1.00 33.12 H new ATOM 1030 N ASN A 62 12.627 7.332 4.916 1.00 21.24 N ATOM 1031 CA ASN A 62 13.937 6.807 5.324 1.00 3.10 C ATOM 1032 C ASN A 62 14.501 5.820 4.279 1.00 51.54 C ATOM 1033 O ASN A 62 13.802 4.903 3.857 1.00 70.34 O ATOM 1034 CB ASN A 62 13.798 6.107 6.684 1.00 74.41 C ATOM 1035 CG ASN A 62 15.127 5.642 7.251 1.00 14.41 C ATOM 1036 OD1 ASN A 62 16.163 6.238 7.007 1.00 43.35 O ATOM 1037 ND2 ASN A 62 15.104 4.582 8.029 1.00 71.10 N ATOM 0 H ASN A 62 12.067 6.683 4.363 1.00 21.24 H new ATOM 0 HA ASN A 62 14.635 7.641 5.402 1.00 3.10 H new ATOM 0 HB2 ASN A 62 13.327 6.790 7.391 1.00 74.41 H new ATOM 0 HB3 ASN A 62 13.134 5.249 6.578 1.00 74.41 H new ATOM 0 HD21 ASN A 62 15.968 4.237 8.447 1.00 71.10 H new ATOM 0 HD22 ASN A 62 14.222 4.105 8.215 1.00 71.10 H new ATOM 1044 N PRO A 63 15.765 6.007 3.830 1.00 32.42 N ATOM 1045 CA PRO A 63 16.424 5.075 2.888 1.00 33.22 C ATOM 1046 C PRO A 63 16.471 3.623 3.407 1.00 43.12 C ATOM 1047 O PRO A 63 16.187 2.679 2.666 1.00 54.23 O ATOM 1048 CB PRO A 63 17.847 5.649 2.734 1.00 33.43 C ATOM 1049 CG PRO A 63 18.014 6.603 3.875 1.00 62.12 C ATOM 1050 CD PRO A 63 16.642 7.144 4.165 1.00 44.44 C ATOM 0 HA PRO A 63 15.877 5.010 1.948 1.00 33.22 H new ATOM 0 HB2 PRO A 63 18.596 4.858 2.770 1.00 33.43 H new ATOM 0 HB3 PRO A 63 17.965 6.156 1.777 1.00 33.43 H new ATOM 0 HG2 PRO A 63 18.427 6.099 4.748 1.00 62.12 H new ATOM 0 HG3 PRO A 63 18.703 7.406 3.615 1.00 62.12 H new ATOM 0 HD2 PRO A 63 16.537 7.442 5.208 1.00 44.44 H new ATOM 0 HD3 PRO A 63 16.417 8.021 3.558 1.00 44.44 H new ATOM 1058 N ASP A 64 16.829 3.450 4.680 1.00 21.33 N ATOM 1059 CA ASP A 64 16.839 2.124 5.314 1.00 53.00 C ATOM 1060 C ASP A 64 15.449 1.466 5.230 1.00 64.11 C ATOM 1061 O ASP A 64 15.313 0.301 4.856 1.00 21.51 O ATOM 1062 CB ASP A 64 17.256 2.252 6.781 1.00 41.15 C ATOM 1063 CG ASP A 64 18.600 2.936 6.945 1.00 73.21 C ATOM 1064 OD1 ASP A 64 18.673 4.168 6.748 1.00 60.35 O ATOM 1065 OD2 ASP A 64 19.590 2.252 7.276 1.00 5.34 O ATOM 0 H ASP A 64 17.117 4.210 5.296 1.00 21.33 H new ATOM 0 HA ASP A 64 17.555 1.496 4.783 1.00 53.00 H new ATOM 0 HB2 ASP A 64 16.497 2.815 7.323 1.00 41.15 H new ATOM 0 HB3 ASP A 64 17.299 1.260 7.231 1.00 41.15 H new ATOM 1070 N ASP A 65 14.431 2.251 5.574 1.00 32.43 N ATOM 1071 CA ASP A 65 13.024 1.825 5.544 1.00 61.34 C ATOM 1072 C ASP A 65 12.634 1.247 4.162 1.00 41.22 C ATOM 1073 O ASP A 65 11.846 0.303 4.066 1.00 61.43 O ATOM 1074 CB ASP A 65 12.165 3.052 5.898 1.00 22.53 C ATOM 1075 CG ASP A 65 10.703 2.748 6.168 1.00 52.30 C ATOM 1076 OD1 ASP A 65 10.389 2.261 7.275 1.00 11.51 O ATOM 1077 OD2 ASP A 65 9.862 3.047 5.295 1.00 73.23 O ATOM 0 H ASP A 65 14.556 3.214 5.886 1.00 32.43 H new ATOM 0 HA ASP A 65 12.859 1.024 6.265 1.00 61.34 H new ATOM 0 HB2 ASP A 65 12.590 3.534 6.778 1.00 22.53 H new ATOM 0 HB3 ASP A 65 12.227 3.770 5.080 1.00 22.53 H new ATOM 1082 N ILE A 66 13.227 1.805 3.100 1.00 62.44 N ATOM 1083 CA ILE A 66 12.958 1.365 1.719 1.00 72.15 C ATOM 1084 C ILE A 66 13.381 -0.096 1.480 1.00 22.54 C ATOM 1085 O ILE A 66 12.539 -0.995 1.386 1.00 41.32 O ATOM 1086 CB ILE A 66 13.691 2.264 0.686 1.00 14.23 C ATOM 1087 CG1 ILE A 66 13.244 3.727 0.824 1.00 25.33 C ATOM 1088 CG2 ILE A 66 13.457 1.761 -0.741 1.00 74.33 C ATOM 1089 CD1 ILE A 66 13.991 4.676 -0.089 1.00 74.25 C ATOM 0 H ILE A 66 13.901 2.567 3.168 1.00 62.44 H new ATOM 0 HA ILE A 66 11.880 1.448 1.584 1.00 72.15 H new ATOM 0 HB ILE A 66 14.760 2.211 0.893 1.00 14.23 H new ATOM 0 HG12 ILE A 66 12.177 3.794 0.610 1.00 25.33 H new ATOM 0 HG13 ILE A 66 13.383 4.045 1.857 1.00 25.33 H new ATOM 0 HG21 ILE A 66 13.981 2.408 -1.445 1.00 74.33 H new ATOM 0 HG22 ILE A 66 13.834 0.742 -0.834 1.00 74.33 H new ATOM 0 HG23 ILE A 66 12.390 1.774 -0.961 1.00 74.33 H new ATOM 0 HD11 ILE A 66 13.624 5.691 0.062 1.00 74.25 H new ATOM 0 HD12 ILE A 66 15.056 4.638 0.139 1.00 74.25 H new ATOM 0 HD13 ILE A 66 13.832 4.383 -1.127 1.00 74.25 H new ATOM 1101 N LEU A 67 14.696 -0.327 1.388 1.00 2.00 N ATOM 1102 CA LEU A 67 15.233 -1.650 1.034 1.00 43.25 C ATOM 1103 C LEU A 67 14.872 -2.726 2.068 1.00 72.42 C ATOM 1104 O LEU A 67 14.851 -3.918 1.756 1.00 51.11 O ATOM 1105 CB LEU A 67 16.760 -1.579 0.820 1.00 11.01 C ATOM 1106 CG LEU A 67 17.586 -0.869 1.918 1.00 45.13 C ATOM 1107 CD1 LEU A 67 17.674 -1.701 3.201 1.00 22.44 C ATOM 1108 CD2 LEU A 67 18.984 -0.540 1.399 1.00 40.01 C ATOM 0 H LEU A 67 15.409 0.383 1.553 1.00 2.00 H new ATOM 0 HA LEU A 67 14.762 -1.946 0.096 1.00 43.25 H new ATOM 0 HB2 LEU A 67 17.136 -2.597 0.717 1.00 11.01 H new ATOM 0 HB3 LEU A 67 16.947 -1.072 -0.127 1.00 11.01 H new ATOM 0 HG LEU A 67 17.069 0.058 2.168 1.00 45.13 H new ATOM 0 HD11 LEU A 67 18.263 -1.163 3.944 1.00 22.44 H new ATOM 0 HD12 LEU A 67 16.671 -1.876 3.591 1.00 22.44 H new ATOM 0 HD13 LEU A 67 18.150 -2.657 2.983 1.00 22.44 H new ATOM 0 HD21 LEU A 67 19.555 -0.041 2.182 1.00 40.01 H new ATOM 0 HD22 LEU A 67 19.491 -1.461 1.111 1.00 40.01 H new ATOM 0 HD23 LEU A 67 18.905 0.117 0.533 1.00 40.01 H new ATOM 1120 N LEU A 68 14.580 -2.292 3.288 1.00 63.34 N ATOM 1121 CA LEU A 68 14.202 -3.201 4.369 1.00 3.55 C ATOM 1122 C LEU A 68 12.930 -4.001 4.029 1.00 70.30 C ATOM 1123 O LEU A 68 12.920 -5.232 4.081 1.00 65.31 O ATOM 1124 CB LEU A 68 13.997 -2.395 5.659 1.00 21.05 C ATOM 1125 CG LEU A 68 13.527 -3.199 6.882 1.00 74.40 C ATOM 1126 CD1 LEU A 68 14.516 -4.312 7.217 1.00 45.32 C ATOM 1127 CD2 LEU A 68 13.319 -2.275 8.083 1.00 23.14 C ATOM 0 H LEU A 68 14.597 -1.308 3.557 1.00 63.34 H new ATOM 0 HA LEU A 68 15.007 -3.922 4.506 1.00 3.55 H new ATOM 0 HB2 LEU A 68 14.936 -1.902 5.911 1.00 21.05 H new ATOM 0 HB3 LEU A 68 13.268 -1.609 5.462 1.00 21.05 H new ATOM 0 HG LEU A 68 12.572 -3.664 6.638 1.00 74.40 H new ATOM 0 HD11 LEU A 68 14.160 -4.866 8.086 1.00 45.32 H new ATOM 0 HD12 LEU A 68 14.604 -4.988 6.367 1.00 45.32 H new ATOM 0 HD13 LEU A 68 15.491 -3.878 7.438 1.00 45.32 H new ATOM 0 HD21 LEU A 68 12.986 -2.861 8.940 1.00 23.14 H new ATOM 0 HD22 LEU A 68 14.258 -1.777 8.326 1.00 23.14 H new ATOM 0 HD23 LEU A 68 12.564 -1.527 7.840 1.00 23.14 H new ATOM 1139 N PHE A 69 11.857 -3.299 3.675 1.00 75.13 N ATOM 1140 CA PHE A 69 10.564 -3.954 3.442 1.00 64.24 C ATOM 1141 C PHE A 69 10.299 -4.301 1.970 1.00 63.30 C ATOM 1142 O PHE A 69 9.708 -5.346 1.686 1.00 62.21 O ATOM 1143 CB PHE A 69 9.424 -3.107 4.018 1.00 15.41 C ATOM 1144 CG PHE A 69 9.098 -3.471 5.444 1.00 34.45 C ATOM 1145 CD1 PHE A 69 9.949 -3.123 6.482 1.00 15.23 C ATOM 1146 CD2 PHE A 69 7.948 -4.184 5.739 1.00 3.05 C ATOM 1147 CE1 PHE A 69 9.656 -3.483 7.784 1.00 34.53 C ATOM 1148 CE2 PHE A 69 7.649 -4.542 7.035 1.00 61.22 C ATOM 1149 CZ PHE A 69 8.504 -4.193 8.059 1.00 5.32 C ATOM 0 H PHE A 69 11.851 -2.288 3.543 1.00 75.13 H new ATOM 0 HA PHE A 69 10.608 -4.909 3.966 1.00 64.24 H new ATOM 0 HB2 PHE A 69 9.698 -2.053 3.969 1.00 15.41 H new ATOM 0 HB3 PHE A 69 8.534 -3.234 3.401 1.00 15.41 H new ATOM 0 HD1 PHE A 69 10.849 -2.565 6.271 1.00 15.23 H new ATOM 0 HD2 PHE A 69 7.276 -4.463 4.941 1.00 3.05 H new ATOM 0 HE1 PHE A 69 10.327 -3.209 8.585 1.00 34.53 H new ATOM 0 HE2 PHE A 69 6.746 -5.095 7.249 1.00 61.22 H new ATOM 0 HZ PHE A 69 8.273 -4.475 9.076 1.00 5.32 H new ATOM 1159 N ARG A 70 10.731 -3.461 1.028 1.00 24.21 N ATOM 1160 CA ARG A 70 10.485 -3.745 -0.395 1.00 13.41 C ATOM 1161 C ARG A 70 11.068 -5.113 -0.797 1.00 3.23 C ATOM 1162 O ARG A 70 10.536 -5.794 -1.671 1.00 72.53 O ATOM 1163 CB ARG A 70 11.036 -2.612 -1.291 1.00 11.33 C ATOM 1164 CG ARG A 70 12.562 -2.465 -1.309 1.00 20.42 C ATOM 1165 CD ARG A 70 13.235 -3.399 -2.319 1.00 73.41 C ATOM 1166 NE ARG A 70 14.691 -3.260 -2.312 1.00 71.52 N ATOM 1167 CZ ARG A 70 15.520 -4.218 -2.627 1.00 13.43 C ATOM 1168 NH1 ARG A 70 15.080 -5.370 -3.018 1.00 33.24 N ATOM 1169 NH2 ARG A 70 16.794 -4.013 -2.574 1.00 61.05 N ATOM 0 H ARG A 70 11.241 -2.597 1.213 1.00 24.21 H new ATOM 0 HA ARG A 70 9.406 -3.790 -0.546 1.00 13.41 H new ATOM 0 HB2 ARG A 70 10.693 -2.781 -2.312 1.00 11.33 H new ATOM 0 HB3 ARG A 70 10.602 -1.668 -0.961 1.00 11.33 H new ATOM 0 HG2 ARG A 70 12.820 -1.433 -1.547 1.00 20.42 H new ATOM 0 HG3 ARG A 70 12.954 -2.671 -0.313 1.00 20.42 H new ATOM 0 HD2 ARG A 70 12.969 -4.431 -2.091 1.00 73.41 H new ATOM 0 HD3 ARG A 70 12.856 -3.185 -3.318 1.00 73.41 H new ATOM 0 HE ARG A 70 15.083 -2.357 -2.044 1.00 71.52 H new ATOM 0 HH11 ARG A 70 14.076 -5.537 -3.083 1.00 33.24 H new ATOM 0 HH12 ARG A 70 15.737 -6.111 -3.262 1.00 33.24 H new ATOM 0 HH21 ARG A 70 17.153 -3.103 -2.286 1.00 61.05 H new ATOM 0 HH22 ARG A 70 17.442 -4.762 -2.820 1.00 61.05 H new ATOM 1183 N ASP A 71 12.148 -5.512 -0.123 1.00 2.15 N ATOM 1184 CA ASP A 71 12.829 -6.781 -0.403 1.00 42.52 C ATOM 1185 C ASP A 71 12.076 -7.981 0.214 1.00 13.11 C ATOM 1186 O ASP A 71 11.915 -9.020 -0.429 1.00 34.34 O ATOM 1187 CB ASP A 71 14.262 -6.713 0.145 1.00 74.14 C ATOM 1188 CG ASP A 71 15.156 -7.828 -0.374 1.00 12.14 C ATOM 1189 OD1 ASP A 71 15.069 -8.963 0.140 1.00 72.32 O ATOM 1190 OD2 ASP A 71 15.963 -7.567 -1.291 1.00 63.45 O ATOM 0 H ASP A 71 12.575 -4.970 0.628 1.00 2.15 H new ATOM 0 HA ASP A 71 12.850 -6.932 -1.482 1.00 42.52 H new ATOM 0 HB2 ASP A 71 14.700 -5.751 -0.121 1.00 74.14 H new ATOM 0 HB3 ASP A 71 14.230 -6.759 1.234 1.00 74.14 H new ATOM 1195 N ARG A 72 11.614 -7.828 1.462 1.00 4.43 N ATOM 1196 CA ARG A 72 10.937 -8.927 2.177 1.00 10.23 C ATOM 1197 C ARG A 72 9.499 -9.151 1.666 1.00 52.10 C ATOM 1198 O ARG A 72 8.927 -10.225 1.849 1.00 44.23 O ATOM 1199 CB ARG A 72 10.933 -8.669 3.696 1.00 52.11 C ATOM 1200 CG ARG A 72 10.033 -7.521 4.137 1.00 52.32 C ATOM 1201 CD ARG A 72 10.125 -7.267 5.640 1.00 44.15 C ATOM 1202 NE ARG A 72 9.819 -8.462 6.429 1.00 4.33 N ATOM 1203 CZ ARG A 72 8.657 -8.712 6.981 1.00 74.13 C ATOM 1204 NH1 ARG A 72 7.660 -7.898 6.826 1.00 52.45 N ATOM 1205 NH2 ARG A 72 8.496 -9.783 7.685 1.00 3.34 N ATOM 0 H ARG A 72 11.694 -6.963 1.997 1.00 4.43 H new ATOM 0 HA ARG A 72 11.502 -9.837 1.975 1.00 10.23 H new ATOM 0 HB2 ARG A 72 10.617 -9.579 4.206 1.00 52.11 H new ATOM 0 HB3 ARG A 72 11.953 -8.460 4.019 1.00 52.11 H new ATOM 0 HG2 ARG A 72 10.311 -6.615 3.599 1.00 52.32 H new ATOM 0 HG3 ARG A 72 9.001 -7.746 3.870 1.00 52.32 H new ATOM 0 HD2 ARG A 72 11.129 -6.920 5.886 1.00 44.15 H new ATOM 0 HD3 ARG A 72 9.435 -6.468 5.913 1.00 44.15 H new ATOM 0 HE ARG A 72 10.563 -9.148 6.558 1.00 4.33 H new ATOM 0 HH11 ARG A 72 7.775 -7.051 6.269 1.00 52.45 H new ATOM 0 HH12 ARG A 72 6.761 -8.104 7.261 1.00 52.45 H new ATOM 0 HH21 ARG A 72 9.273 -10.432 7.810 1.00 3.34 H new ATOM 0 HH22 ARG A 72 7.592 -9.979 8.115 1.00 3.34 H new ATOM 1219 N PHE A 73 8.911 -8.127 1.050 1.00 71.41 N ATOM 1220 CA PHE A 73 7.603 -8.268 0.391 1.00 43.22 C ATOM 1221 C PHE A 73 7.783 -8.724 -1.066 1.00 10.32 C ATOM 1222 O PHE A 73 7.335 -9.807 -1.443 1.00 1.24 O ATOM 1223 CB PHE A 73 6.816 -6.947 0.457 1.00 2.45 C ATOM 1224 CG PHE A 73 6.074 -6.750 1.760 1.00 42.02 C ATOM 1225 CD1 PHE A 73 6.759 -6.580 2.956 1.00 43.12 C ATOM 1226 CD2 PHE A 73 4.687 -6.752 1.785 1.00 33.05 C ATOM 1227 CE1 PHE A 73 6.074 -6.413 4.144 1.00 75.22 C ATOM 1228 CE2 PHE A 73 4.000 -6.587 2.972 1.00 15.20 C ATOM 1229 CZ PHE A 73 4.694 -6.419 4.152 1.00 15.21 C ATOM 0 H PHE A 73 9.314 -7.192 0.991 1.00 71.41 H new ATOM 0 HA PHE A 73 7.030 -9.029 0.920 1.00 43.22 H new ATOM 0 HB2 PHE A 73 7.505 -6.115 0.311 1.00 2.45 H new ATOM 0 HB3 PHE A 73 6.102 -6.917 -0.366 1.00 2.45 H new ATOM 0 HD1 PHE A 73 7.839 -6.578 2.957 1.00 43.12 H new ATOM 0 HD2 PHE A 73 4.137 -6.884 0.865 1.00 33.05 H new ATOM 0 HE1 PHE A 73 6.619 -6.278 5.067 1.00 75.22 H new ATOM 0 HE2 PHE A 73 2.920 -6.590 2.976 1.00 15.20 H new ATOM 0 HZ PHE A 73 4.158 -6.292 5.081 1.00 15.21 H new ATOM 1239 N ASP A 74 8.439 -7.882 -1.870 1.00 62.33 N ATOM 1240 CA ASP A 74 8.833 -8.229 -3.245 1.00 0.23 C ATOM 1241 C ASP A 74 7.676 -8.860 -4.061 1.00 12.14 C ATOM 1242 O ASP A 74 7.871 -9.823 -4.806 1.00 63.20 O ATOM 1243 CB ASP A 74 10.049 -9.168 -3.189 1.00 3.02 C ATOM 1244 CG ASP A 74 10.716 -9.351 -4.537 1.00 52.23 C ATOM 1245 OD1 ASP A 74 11.299 -8.375 -5.051 1.00 72.51 O ATOM 1246 OD2 ASP A 74 10.665 -10.470 -5.088 1.00 14.34 O ATOM 0 H ASP A 74 8.713 -6.940 -1.589 1.00 62.33 H new ATOM 0 HA ASP A 74 9.095 -7.309 -3.767 1.00 0.23 H new ATOM 0 HB2 ASP A 74 10.776 -8.771 -2.481 1.00 3.02 H new ATOM 0 HB3 ASP A 74 9.734 -10.140 -2.810 1.00 3.02 H new ATOM 1251 N GLY A 75 6.474 -8.300 -3.926 1.00 5.23 N ATOM 1252 CA GLY A 75 5.330 -8.784 -4.693 1.00 45.44 C ATOM 1253 C GLY A 75 4.787 -10.123 -4.206 1.00 4.45 C ATOM 1254 O GLY A 75 4.700 -11.083 -4.976 1.00 1.14 O ATOM 0 H GLY A 75 6.270 -7.521 -3.301 1.00 5.23 H new ATOM 0 HA2 GLY A 75 4.534 -8.041 -4.648 1.00 45.44 H new ATOM 0 HA3 GLY A 75 5.619 -8.878 -5.740 1.00 45.44 H new ATOM 1258 N TYR A 76 4.406 -10.194 -2.932 1.00 12.10 N ATOM 1259 CA TYR A 76 3.901 -11.445 -2.349 1.00 50.33 C ATOM 1260 C TYR A 76 2.368 -11.552 -2.478 1.00 20.14 C ATOM 1261 O TYR A 76 1.670 -10.544 -2.612 1.00 11.53 O ATOM 1262 CB TYR A 76 4.333 -11.565 -0.872 1.00 2.33 C ATOM 1263 CG TYR A 76 3.373 -10.949 0.137 1.00 13.25 C ATOM 1264 CD1 TYR A 76 3.117 -9.580 0.158 1.00 51.52 C ATOM 1265 CD2 TYR A 76 2.732 -11.747 1.081 1.00 22.33 C ATOM 1266 CE1 TYR A 76 2.252 -9.030 1.090 1.00 42.22 C ATOM 1267 CE2 TYR A 76 1.867 -11.204 2.010 1.00 22.43 C ATOM 1268 CZ TYR A 76 1.630 -9.847 2.013 1.00 25.01 C ATOM 1269 OH TYR A 76 0.770 -9.306 2.948 1.00 75.42 O ATOM 0 H TYR A 76 4.435 -9.407 -2.283 1.00 12.10 H new ATOM 0 HA TYR A 76 4.337 -12.272 -2.909 1.00 50.33 H new ATOM 0 HB2 TYR A 76 4.459 -12.621 -0.632 1.00 2.33 H new ATOM 0 HB3 TYR A 76 5.309 -11.093 -0.756 1.00 2.33 H new ATOM 0 HD1 TYR A 76 3.600 -8.938 -0.563 1.00 51.52 H new ATOM 0 HD2 TYR A 76 2.915 -12.811 1.087 1.00 22.33 H new ATOM 0 HE1 TYR A 76 2.065 -7.966 1.095 1.00 42.22 H new ATOM 0 HE2 TYR A 76 1.378 -11.841 2.732 1.00 22.43 H new ATOM 0 HH TYR A 76 0.118 -8.729 2.498 1.00 75.42 H new ATOM 1279 N ILE A 77 1.855 -12.782 -2.436 1.00 32.12 N ATOM 1280 CA ILE A 77 0.414 -13.035 -2.531 1.00 13.40 C ATOM 1281 C ILE A 77 -0.248 -13.043 -1.145 1.00 62.32 C ATOM 1282 O ILE A 77 0.005 -13.930 -0.325 1.00 50.43 O ATOM 1283 CB ILE A 77 0.128 -14.392 -3.229 1.00 51.34 C ATOM 1284 CG1 ILE A 77 0.766 -14.431 -4.629 1.00 21.30 C ATOM 1285 CG2 ILE A 77 -1.377 -14.656 -3.311 1.00 20.03 C ATOM 1286 CD1 ILE A 77 0.198 -13.409 -5.593 1.00 20.15 C ATOM 0 H ILE A 77 2.420 -13.626 -2.336 1.00 32.12 H new ATOM 0 HA ILE A 77 -0.008 -12.224 -3.125 1.00 13.40 H new ATOM 0 HB ILE A 77 0.578 -15.183 -2.628 1.00 51.34 H new ATOM 0 HG12 ILE A 77 1.839 -14.267 -4.533 1.00 21.30 H new ATOM 0 HG13 ILE A 77 0.632 -15.427 -5.051 1.00 21.30 H new ATOM 0 HG21 ILE A 77 -1.552 -15.612 -3.804 1.00 20.03 H new ATOM 0 HG22 ILE A 77 -1.797 -14.684 -2.305 1.00 20.03 H new ATOM 0 HG23 ILE A 77 -1.855 -13.860 -3.882 1.00 20.03 H new ATOM 0 HD11 ILE A 77 0.699 -13.500 -6.557 1.00 20.15 H new ATOM 0 HD12 ILE A 77 -0.870 -13.584 -5.721 1.00 20.15 H new ATOM 0 HD13 ILE A 77 0.356 -12.407 -5.195 1.00 20.15 H new ATOM 1298 N PHE A 78 -1.091 -12.048 -0.882 1.00 10.32 N ATOM 1299 CA PHE A 78 -1.852 -11.988 0.369 1.00 73.40 C ATOM 1300 C PHE A 78 -3.258 -12.580 0.188 1.00 41.25 C ATOM 1301 O PHE A 78 -3.952 -12.267 -0.777 1.00 43.42 O ATOM 1302 CB PHE A 78 -1.949 -10.537 0.865 1.00 75.13 C ATOM 1303 CG PHE A 78 -2.676 -10.388 2.182 1.00 31.43 C ATOM 1304 CD1 PHE A 78 -2.097 -10.839 3.359 1.00 70.12 C ATOM 1305 CD2 PHE A 78 -3.934 -9.799 2.244 1.00 74.23 C ATOM 1306 CE1 PHE A 78 -2.757 -10.709 4.567 1.00 20.01 C ATOM 1307 CE2 PHE A 78 -4.595 -9.668 3.450 1.00 21.01 C ATOM 1308 CZ PHE A 78 -4.007 -10.123 4.613 1.00 61.42 C ATOM 0 H PHE A 78 -1.267 -11.270 -1.518 1.00 10.32 H new ATOM 0 HA PHE A 78 -1.325 -12.583 1.114 1.00 73.40 H new ATOM 0 HB2 PHE A 78 -0.943 -10.131 0.968 1.00 75.13 H new ATOM 0 HB3 PHE A 78 -2.459 -9.938 0.110 1.00 75.13 H new ATOM 0 HD1 PHE A 78 -1.119 -11.297 3.332 1.00 70.12 H new ATOM 0 HD2 PHE A 78 -4.400 -9.440 1.338 1.00 74.23 H new ATOM 0 HE1 PHE A 78 -2.295 -11.066 5.475 1.00 20.01 H new ATOM 0 HE2 PHE A 78 -5.572 -9.209 3.483 1.00 21.01 H new ATOM 0 HZ PHE A 78 -4.523 -10.021 5.556 1.00 61.42 H new ATOM 1318 N LEU A 79 -3.663 -13.447 1.112 1.00 42.11 N ATOM 1319 CA LEU A 79 -4.998 -14.054 1.077 1.00 51.54 C ATOM 1320 C LEU A 79 -5.807 -13.701 2.333 1.00 71.23 C ATOM 1321 O LEU A 79 -5.502 -14.171 3.430 1.00 23.13 O ATOM 1322 CB LEU A 79 -4.875 -15.577 0.951 1.00 0.32 C ATOM 1323 CG LEU A 79 -4.197 -16.077 -0.336 1.00 64.04 C ATOM 1324 CD1 LEU A 79 -3.947 -17.578 -0.262 1.00 21.44 C ATOM 1325 CD2 LEU A 79 -5.038 -15.729 -1.562 1.00 4.33 C ATOM 0 H LEU A 79 -3.087 -13.748 1.898 1.00 42.11 H new ATOM 0 HA LEU A 79 -5.526 -13.655 0.211 1.00 51.54 H new ATOM 0 HB2 LEU A 79 -4.314 -15.952 1.807 1.00 0.32 H new ATOM 0 HB3 LEU A 79 -5.873 -16.012 1.009 1.00 0.32 H new ATOM 0 HG LEU A 79 -3.235 -15.574 -0.432 1.00 64.04 H new ATOM 0 HD11 LEU A 79 -3.467 -17.913 -1.182 1.00 21.44 H new ATOM 0 HD12 LEU A 79 -3.299 -17.798 0.586 1.00 21.44 H new ATOM 0 HD13 LEU A 79 -4.896 -18.099 -0.138 1.00 21.44 H new ATOM 0 HD21 LEU A 79 -4.539 -16.092 -2.460 1.00 4.33 H new ATOM 0 HD22 LEU A 79 -6.018 -16.198 -1.476 1.00 4.33 H new ATOM 0 HD23 LEU A 79 -5.158 -14.648 -1.626 1.00 4.33 H new ATOM 1337 N ASP A 80 -6.831 -12.869 2.167 1.00 3.41 N ATOM 1338 CA ASP A 80 -7.712 -12.501 3.278 1.00 63.22 C ATOM 1339 C ASP A 80 -8.823 -13.563 3.457 1.00 2.42 C ATOM 1340 O ASP A 80 -8.792 -14.613 2.809 1.00 34.50 O ATOM 1341 CB ASP A 80 -8.297 -11.099 3.023 1.00 32.13 C ATOM 1342 CG ASP A 80 -8.967 -10.502 4.251 1.00 41.04 C ATOM 1343 OD1 ASP A 80 -8.257 -10.168 5.220 1.00 62.05 O ATOM 1344 OD2 ASP A 80 -10.208 -10.389 4.258 1.00 64.00 O ATOM 0 H ASP A 80 -7.074 -12.436 1.276 1.00 3.41 H new ATOM 0 HA ASP A 80 -7.142 -12.470 4.206 1.00 63.22 H new ATOM 0 HB2 ASP A 80 -7.500 -10.434 2.691 1.00 32.13 H new ATOM 0 HB3 ASP A 80 -9.023 -11.156 2.212 1.00 32.13 H new ATOM 1349 N SER A 81 -9.794 -13.292 4.333 1.00 33.14 N ATOM 1350 CA SER A 81 -10.886 -14.234 4.646 1.00 21.02 C ATOM 1351 C SER A 81 -11.476 -14.918 3.398 1.00 2.23 C ATOM 1352 O SER A 81 -11.593 -16.142 3.352 1.00 3.21 O ATOM 1353 CB SER A 81 -12.003 -13.500 5.401 1.00 11.10 C ATOM 1354 OG SER A 81 -11.518 -12.904 6.595 1.00 60.53 O ATOM 0 H SER A 81 -9.850 -12.414 4.849 1.00 33.14 H new ATOM 0 HA SER A 81 -10.453 -15.019 5.265 1.00 21.02 H new ATOM 0 HB2 SER A 81 -12.434 -12.732 4.759 1.00 11.10 H new ATOM 0 HB3 SER A 81 -12.803 -14.201 5.641 1.00 11.10 H new ATOM 0 HG SER A 81 -12.252 -12.443 7.052 1.00 60.53 H new ATOM 1360 N LYS A 82 -11.846 -14.132 2.386 1.00 13.45 N ATOM 1361 CA LYS A 82 -12.455 -14.684 1.159 1.00 23.12 C ATOM 1362 C LYS A 82 -11.470 -15.528 0.326 1.00 4.31 C ATOM 1363 O LYS A 82 -11.887 -16.312 -0.527 1.00 75.44 O ATOM 1364 CB LYS A 82 -13.031 -13.551 0.298 1.00 22.23 C ATOM 1365 CG LYS A 82 -14.291 -12.917 0.879 1.00 41.13 C ATOM 1366 CD LYS A 82 -15.445 -13.917 0.951 1.00 1.23 C ATOM 1367 CE LYS A 82 -16.721 -13.276 1.482 1.00 50.44 C ATOM 1368 NZ LYS A 82 -17.865 -14.225 1.467 1.00 62.32 N ATOM 0 H LYS A 82 -11.739 -13.118 2.384 1.00 13.45 H new ATOM 0 HA LYS A 82 -13.255 -15.352 1.479 1.00 23.12 H new ATOM 0 HB2 LYS A 82 -12.271 -12.779 0.174 1.00 22.23 H new ATOM 0 HB3 LYS A 82 -13.256 -13.940 -0.695 1.00 22.23 H new ATOM 0 HG2 LYS A 82 -14.079 -12.534 1.877 1.00 41.13 H new ATOM 0 HG3 LYS A 82 -14.585 -12.065 0.266 1.00 41.13 H new ATOM 0 HD2 LYS A 82 -15.631 -14.328 -0.041 1.00 1.23 H new ATOM 0 HD3 LYS A 82 -15.163 -14.751 1.594 1.00 1.23 H new ATOM 0 HE2 LYS A 82 -16.554 -12.924 2.500 1.00 50.44 H new ATOM 0 HE3 LYS A 82 -16.966 -12.402 0.879 1.00 50.44 H new ATOM 0 HZ1 LYS A 82 -18.714 -13.751 1.836 1.00 62.32 H new ATOM 0 HZ2 LYS A 82 -18.041 -14.541 0.492 1.00 62.32 H new ATOM 0 HZ3 LYS A 82 -17.642 -15.048 2.063 1.00 62.32 H new ATOM 1382 N GLY A 83 -10.172 -15.368 0.574 1.00 21.21 N ATOM 1383 CA GLY A 83 -9.163 -16.125 -0.165 1.00 10.14 C ATOM 1384 C GLY A 83 -8.856 -15.541 -1.542 1.00 22.32 C ATOM 1385 O GLY A 83 -8.433 -16.257 -2.453 1.00 54.54 O ATOM 0 H GLY A 83 -9.796 -14.728 1.274 1.00 21.21 H new ATOM 0 HA2 GLY A 83 -8.244 -16.159 0.420 1.00 10.14 H new ATOM 0 HA3 GLY A 83 -9.505 -17.153 -0.282 1.00 10.14 H new ATOM 1389 N LEU A 84 -9.062 -14.236 -1.695 1.00 3.02 N ATOM 1390 CA LEU A 84 -8.765 -13.552 -2.957 1.00 33.43 C ATOM 1391 C LEU A 84 -7.275 -13.177 -3.038 1.00 41.43 C ATOM 1392 O LEU A 84 -6.747 -12.520 -2.143 1.00 74.32 O ATOM 1393 CB LEU A 84 -9.638 -12.296 -3.100 1.00 75.41 C ATOM 1394 CG LEU A 84 -11.158 -12.536 -3.051 1.00 13.24 C ATOM 1395 CD1 LEU A 84 -11.922 -11.220 -3.161 1.00 4.11 C ATOM 1396 CD2 LEU A 84 -11.589 -13.508 -4.150 1.00 20.33 C ATOM 0 H LEU A 84 -9.433 -13.629 -0.964 1.00 3.02 H new ATOM 0 HA LEU A 84 -8.991 -14.234 -3.777 1.00 33.43 H new ATOM 0 HB2 LEU A 84 -9.372 -11.598 -2.306 1.00 75.41 H new ATOM 0 HB3 LEU A 84 -9.395 -11.811 -4.045 1.00 75.41 H new ATOM 0 HG LEU A 84 -11.398 -12.985 -2.087 1.00 13.24 H new ATOM 0 HD11 LEU A 84 -12.993 -11.417 -3.124 1.00 4.11 H new ATOM 0 HD12 LEU A 84 -11.644 -10.568 -2.333 1.00 4.11 H new ATOM 0 HD13 LEU A 84 -11.675 -10.734 -4.105 1.00 4.11 H new ATOM 0 HD21 LEU A 84 -12.667 -13.663 -4.097 1.00 20.33 H new ATOM 0 HD22 LEU A 84 -11.330 -13.094 -5.124 1.00 20.33 H new ATOM 0 HD23 LEU A 84 -11.078 -14.461 -4.014 1.00 20.33 H new ATOM 1408 N GLU A 85 -6.603 -13.612 -4.102 1.00 21.03 N ATOM 1409 CA GLU A 85 -5.169 -13.344 -4.291 1.00 64.41 C ATOM 1410 C GLU A 85 -4.874 -11.846 -4.467 1.00 33.05 C ATOM 1411 O GLU A 85 -5.214 -11.254 -5.496 1.00 2.33 O ATOM 1412 CB GLU A 85 -4.647 -14.107 -5.515 1.00 31.43 C ATOM 1413 CG GLU A 85 -4.752 -15.621 -5.394 1.00 73.13 C ATOM 1414 CD GLU A 85 -4.362 -16.329 -6.680 1.00 74.03 C ATOM 1415 OE1 GLU A 85 -3.158 -16.590 -6.882 1.00 2.15 O ATOM 1416 OE2 GLU A 85 -5.260 -16.616 -7.502 1.00 33.21 O ATOM 0 H GLU A 85 -7.027 -14.155 -4.854 1.00 21.03 H new ATOM 0 HA GLU A 85 -4.660 -13.683 -3.389 1.00 64.41 H new ATOM 0 HB2 GLU A 85 -5.203 -13.784 -6.395 1.00 31.43 H new ATOM 0 HB3 GLU A 85 -3.604 -13.838 -5.680 1.00 31.43 H new ATOM 0 HG2 GLU A 85 -4.109 -15.964 -4.583 1.00 73.13 H new ATOM 0 HG3 GLU A 85 -5.774 -15.892 -5.128 1.00 73.13 H new ATOM 1423 N TYR A 86 -4.249 -11.240 -3.456 1.00 32.51 N ATOM 1424 CA TYR A 86 -3.801 -9.844 -3.535 1.00 2.11 C ATOM 1425 C TYR A 86 -2.269 -9.769 -3.687 1.00 31.14 C ATOM 1426 O TYR A 86 -1.537 -9.855 -2.697 1.00 30.13 O ATOM 1427 CB TYR A 86 -4.230 -9.067 -2.278 1.00 14.24 C ATOM 1428 CG TYR A 86 -5.668 -9.306 -1.859 1.00 75.44 C ATOM 1429 CD1 TYR A 86 -6.723 -8.989 -2.703 1.00 25.14 C ATOM 1430 CD2 TYR A 86 -5.967 -9.850 -0.614 1.00 12.53 C ATOM 1431 CE1 TYR A 86 -8.031 -9.213 -2.324 1.00 31.15 C ATOM 1432 CE2 TYR A 86 -7.271 -10.074 -0.229 1.00 62.34 C ATOM 1433 CZ TYR A 86 -8.299 -9.756 -1.086 1.00 53.11 C ATOM 1434 OH TYR A 86 -9.600 -9.985 -0.707 1.00 22.05 O ATOM 0 H TYR A 86 -4.040 -11.695 -2.567 1.00 32.51 H new ATOM 0 HA TYR A 86 -4.266 -9.393 -4.411 1.00 2.11 H new ATOM 0 HB2 TYR A 86 -3.573 -9.342 -1.453 1.00 14.24 H new ATOM 0 HB3 TYR A 86 -4.088 -8.001 -2.457 1.00 14.24 H new ATOM 0 HD1 TYR A 86 -6.517 -8.560 -3.672 1.00 25.14 H new ATOM 0 HD2 TYR A 86 -5.163 -10.101 0.062 1.00 12.53 H new ATOM 0 HE1 TYR A 86 -8.840 -8.964 -2.994 1.00 31.15 H new ATOM 0 HE2 TYR A 86 -7.485 -10.497 0.741 1.00 62.34 H new ATOM 0 HH TYR A 86 -9.976 -9.168 -0.318 1.00 22.05 H new ATOM 1444 N PRO A 87 -1.759 -9.644 -4.928 1.00 71.11 N ATOM 1445 CA PRO A 87 -0.314 -9.538 -5.177 1.00 30.32 C ATOM 1446 C PRO A 87 0.234 -8.124 -4.921 1.00 43.42 C ATOM 1447 O PRO A 87 0.172 -7.251 -5.788 1.00 34.23 O ATOM 1448 CB PRO A 87 -0.191 -9.921 -6.657 1.00 60.44 C ATOM 1449 CG PRO A 87 -1.493 -9.510 -7.268 1.00 3.50 C ATOM 1450 CD PRO A 87 -2.540 -9.609 -6.181 1.00 34.33 C ATOM 0 HA PRO A 87 0.267 -10.173 -4.508 1.00 30.32 H new ATOM 0 HB2 PRO A 87 0.647 -9.409 -7.130 1.00 60.44 H new ATOM 0 HB3 PRO A 87 -0.019 -10.991 -6.776 1.00 60.44 H new ATOM 0 HG2 PRO A 87 -1.434 -8.493 -7.655 1.00 3.50 H new ATOM 0 HG3 PRO A 87 -1.746 -10.157 -8.108 1.00 3.50 H new ATOM 0 HD2 PRO A 87 -3.219 -8.757 -6.203 1.00 34.33 H new ATOM 0 HD3 PRO A 87 -3.150 -10.505 -6.296 1.00 34.33 H new ATOM 1458 N ALA A 88 0.760 -7.895 -3.721 1.00 22.33 N ATOM 1459 CA ALA A 88 1.308 -6.581 -3.364 1.00 25.10 C ATOM 1460 C ALA A 88 2.691 -6.364 -4.000 1.00 60.23 C ATOM 1461 O ALA A 88 3.726 -6.585 -3.363 1.00 24.43 O ATOM 1462 CB ALA A 88 1.375 -6.419 -1.847 1.00 54.04 C ATOM 0 H ALA A 88 0.820 -8.594 -2.981 1.00 22.33 H new ATOM 0 HA ALA A 88 0.637 -5.818 -3.760 1.00 25.10 H new ATOM 0 HB1 ALA A 88 1.784 -5.438 -1.604 1.00 54.04 H new ATOM 0 HB2 ALA A 88 0.373 -6.509 -1.427 1.00 54.04 H new ATOM 0 HB3 ALA A 88 2.016 -7.194 -1.426 1.00 54.04 H new ATOM 1468 N VAL A 89 2.698 -5.952 -5.268 1.00 12.34 N ATOM 1469 CA VAL A 89 3.946 -5.742 -6.015 1.00 74.44 C ATOM 1470 C VAL A 89 4.535 -4.345 -5.755 1.00 34.24 C ATOM 1471 O VAL A 89 3.927 -3.328 -6.091 1.00 44.41 O ATOM 1472 CB VAL A 89 3.730 -5.937 -7.536 1.00 63.44 C ATOM 1473 CG1 VAL A 89 5.037 -5.745 -8.306 1.00 43.54 C ATOM 1474 CG2 VAL A 89 3.126 -7.311 -7.821 1.00 42.34 C ATOM 0 H VAL A 89 1.853 -5.756 -5.804 1.00 12.34 H new ATOM 0 HA VAL A 89 4.654 -6.490 -5.658 1.00 74.44 H new ATOM 0 HB VAL A 89 3.028 -5.177 -7.879 1.00 63.44 H new ATOM 0 HG11 VAL A 89 4.856 -5.888 -9.371 1.00 43.54 H new ATOM 0 HG12 VAL A 89 5.416 -4.738 -8.134 1.00 43.54 H new ATOM 0 HG13 VAL A 89 5.772 -6.473 -7.962 1.00 43.54 H new ATOM 0 HG21 VAL A 89 2.982 -7.429 -8.895 1.00 42.34 H new ATOM 0 HG22 VAL A 89 3.800 -8.087 -7.458 1.00 42.34 H new ATOM 0 HG23 VAL A 89 2.165 -7.398 -7.314 1.00 42.34 H new ATOM 1484 N VAL A 90 5.726 -4.312 -5.164 1.00 2.00 N ATOM 1485 CA VAL A 90 6.376 -3.056 -4.773 1.00 34.44 C ATOM 1486 C VAL A 90 7.418 -2.611 -5.817 1.00 22.31 C ATOM 1487 O VAL A 90 8.319 -3.376 -6.171 1.00 21.04 O ATOM 1488 CB VAL A 90 7.074 -3.212 -3.397 1.00 71.14 C ATOM 1489 CG1 VAL A 90 7.622 -1.875 -2.904 1.00 51.33 C ATOM 1490 CG2 VAL A 90 6.119 -3.817 -2.370 1.00 74.44 C ATOM 0 H VAL A 90 6.268 -5.147 -4.942 1.00 2.00 H new ATOM 0 HA VAL A 90 5.598 -2.296 -4.708 1.00 34.44 H new ATOM 0 HB VAL A 90 7.915 -3.893 -3.524 1.00 71.14 H new ATOM 0 HG11 VAL A 90 8.106 -2.014 -1.937 1.00 51.33 H new ATOM 0 HG12 VAL A 90 8.348 -1.493 -3.621 1.00 51.33 H new ATOM 0 HG13 VAL A 90 6.804 -1.162 -2.801 1.00 51.33 H new ATOM 0 HG21 VAL A 90 6.630 -3.917 -1.413 1.00 74.44 H new ATOM 0 HG22 VAL A 90 5.252 -3.167 -2.252 1.00 74.44 H new ATOM 0 HG23 VAL A 90 5.792 -4.799 -2.711 1.00 74.44 H new ATOM 1500 N GLU A 91 7.300 -1.374 -6.298 1.00 23.05 N ATOM 1501 CA GLU A 91 8.237 -0.833 -7.298 1.00 33.51 C ATOM 1502 C GLU A 91 8.567 0.642 -7.024 1.00 23.02 C ATOM 1503 O GLU A 91 7.757 1.379 -6.469 1.00 55.42 O ATOM 1504 CB GLU A 91 7.667 -0.996 -8.716 1.00 12.02 C ATOM 1505 CG GLU A 91 6.256 -0.441 -8.888 1.00 21.45 C ATOM 1506 CD GLU A 91 5.731 -0.582 -10.310 1.00 32.35 C ATOM 1507 OE1 GLU A 91 6.066 -1.583 -10.977 1.00 21.41 O ATOM 1508 OE2 GLU A 91 4.978 0.306 -10.766 1.00 34.34 O ATOM 0 H GLU A 91 6.567 -0.723 -6.015 1.00 23.05 H new ATOM 0 HA GLU A 91 9.163 -1.402 -7.221 1.00 33.51 H new ATOM 0 HB2 GLU A 91 8.331 -0.497 -9.422 1.00 12.02 H new ATOM 0 HB3 GLU A 91 7.664 -2.055 -8.975 1.00 12.02 H new ATOM 0 HG2 GLU A 91 5.582 -0.958 -8.205 1.00 21.45 H new ATOM 0 HG3 GLU A 91 6.249 0.612 -8.607 1.00 21.45 H new ATOM 1515 N PHE A 92 9.768 1.064 -7.414 1.00 70.31 N ATOM 1516 CA PHE A 92 10.250 2.427 -7.135 1.00 72.45 C ATOM 1517 C PHE A 92 9.472 3.503 -7.913 1.00 54.35 C ATOM 1518 O PHE A 92 8.904 3.237 -8.973 1.00 32.42 O ATOM 1519 CB PHE A 92 11.744 2.537 -7.471 1.00 3.12 C ATOM 1520 CG PHE A 92 12.055 2.331 -8.937 1.00 2.30 C ATOM 1521 CD1 PHE A 92 12.132 1.053 -9.471 1.00 70.04 C ATOM 1522 CD2 PHE A 92 12.273 3.415 -9.778 1.00 64.03 C ATOM 1523 CE1 PHE A 92 12.416 0.859 -10.808 1.00 31.40 C ATOM 1524 CE2 PHE A 92 12.558 3.227 -11.117 1.00 62.35 C ATOM 1525 CZ PHE A 92 12.629 1.946 -11.632 1.00 35.32 C ATOM 0 H PHE A 92 10.432 0.484 -7.927 1.00 70.31 H new ATOM 0 HA PHE A 92 10.087 2.607 -6.072 1.00 72.45 H new ATOM 0 HB2 PHE A 92 12.104 3.520 -7.167 1.00 3.12 H new ATOM 0 HB3 PHE A 92 12.294 1.801 -6.885 1.00 3.12 H new ATOM 0 HD1 PHE A 92 11.968 0.198 -8.832 1.00 70.04 H new ATOM 0 HD2 PHE A 92 12.219 4.418 -9.380 1.00 64.03 H new ATOM 0 HE1 PHE A 92 12.471 -0.142 -11.209 1.00 31.40 H new ATOM 0 HE2 PHE A 92 12.725 4.079 -11.760 1.00 62.35 H new ATOM 0 HZ PHE A 92 12.851 1.796 -12.678 1.00 35.32 H new ATOM 1535 N ALA A 93 9.465 4.725 -7.384 1.00 45.32 N ATOM 1536 CA ALA A 93 8.833 5.863 -8.064 1.00 33.21 C ATOM 1537 C ALA A 93 9.833 6.592 -8.986 1.00 70.51 C ATOM 1538 O ALA A 93 11.033 6.633 -8.703 1.00 25.41 O ATOM 1539 CB ALA A 93 8.256 6.832 -7.035 1.00 20.42 C ATOM 0 H ALA A 93 9.889 4.957 -6.486 1.00 45.32 H new ATOM 0 HA ALA A 93 8.025 5.480 -8.687 1.00 33.21 H new ATOM 0 HB1 ALA A 93 7.789 7.673 -7.548 1.00 20.42 H new ATOM 0 HB2 ALA A 93 7.510 6.318 -6.429 1.00 20.42 H new ATOM 0 HB3 ALA A 93 9.056 7.199 -6.392 1.00 20.42 H new