USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 746 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 92 SER OG : rot -74:sc= -0.836 USER MOD Set 1.2: A 97 THR OG1 : rot -174:sc= -0.811 USER MOD Set 2.1: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 88 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 57 TYR OH : rot -92:sc= 1.31 USER MOD Set 3.2: A 70 ASN : amide:sc= 0.905 K(o=2.2,f=-3.4!) USER MOD Single : A 16 SER OG : rot 180:sc= -0.579 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -5.76! C(o=-5.8!,f=-18!) USER MOD Single : A 28 GLN : amide:sc= -1.71 K(o=-1.7,f=-4.4!) USER MOD Single : A 37 ASN : amide:sc= -3.24! X(o=-3.2!,f=-2.8) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -60:sc= 0.0412 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.384 K(o=-0.38,f=-3!) USER MOD Single : A 54 GLN : amide:sc= -0.491 X(o=-0.49,f=-0.47) USER MOD Single : A 56 MET CE :methyl 152:sc= -1.5 (180deg=-3.28) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -12.9! C(o=-13!,f=-13!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -1.4 K(o=-1.4,f=-6.5!) USER MOD Single : A 78 ASN : amide:sc= -2.12 K(o=-2.1,f=-3.5!) USER MOD Single : A 82 TYR OH : rot 0:sc= -0.221 USER MOD Single : A 83 CYS SG : rot -113:sc= 0.632 USER MOD Single : A 86 TYR OH : rot -101:sc= 0.463 USER MOD Single : A 93 LYS NZ :NH3+ 139:sc= 0.694 (180deg=-0.0613) USER MOD Single : A 95 SER OG : rot -37:sc= 0.402 USER MOD Single : A 96 ASN : amide:sc= -0.0042 K(o=-0.0042,f=-1.3) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 9 -8.038 -1.686 -1.343 1.00 0.00 N ATOM 84 CA VAL A 9 -7.319 -0.843 -2.283 1.00 0.00 C ATOM 85 C VAL A 9 -6.016 -0.366 -1.639 1.00 0.00 C ATOM 86 O VAL A 9 -6.038 0.420 -0.693 1.00 0.00 O ATOM 87 CB VAL A 9 -8.215 0.308 -2.744 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.379 1.513 -3.179 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.153 -0.142 -3.866 1.00 0.00 C ATOM 0 HA VAL A 9 -7.052 -1.407 -3.177 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.829 0.614 -1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.040 2.317 -3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.772 1.857 -2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.728 1.225 -4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.779 0.695 -4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.564 -0.488 -4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.785 -0.955 -3.508 1.00 0.00 H new ATOM 99 N ILE A 10 -4.911 -0.861 -2.178 1.00 0.00 N ATOM 100 CA ILE A 10 -3.601 -0.495 -1.668 1.00 0.00 C ATOM 101 C ILE A 10 -3.253 0.919 -2.137 1.00 0.00 C ATOM 102 O ILE A 10 -2.478 1.092 -3.077 1.00 0.00 O ATOM 103 CB ILE A 10 -2.561 -1.546 -2.059 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.920 -2.916 -1.479 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.154 -1.103 -1.654 1.00 0.00 C ATOM 106 CD1 ILE A 10 -3.197 -2.819 0.023 1.00 0.00 C ATOM 0 H ILE A 10 -4.896 -1.512 -2.963 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.608 -0.477 -0.578 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.567 -1.645 -3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.798 -3.313 -1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.104 -3.616 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.434 -1.868 -1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.909 -0.166 -2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.115 -0.958 -0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.450 -3.806 0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.309 -2.445 0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.029 -2.137 0.196 1.00 0.00 H new ATOM 118 N ARG A 11 -3.842 1.895 -1.461 1.00 0.00 N ATOM 119 CA ARG A 11 -3.603 3.288 -1.797 1.00 0.00 C ATOM 120 C ARG A 11 -2.106 3.598 -1.744 1.00 0.00 C ATOM 121 O ARG A 11 -1.542 3.769 -0.664 1.00 0.00 O ATOM 122 CB ARG A 11 -4.345 4.221 -0.837 1.00 0.00 C ATOM 123 CG ARG A 11 -5.852 3.955 -0.870 1.00 0.00 C ATOM 124 CD ARG A 11 -6.601 4.944 0.026 1.00 0.00 C ATOM 125 NE ARG A 11 -8.059 4.699 -0.059 1.00 0.00 N ATOM 126 CZ ARG A 11 -8.960 5.235 0.774 1.00 0.00 C ATOM 127 NH1 ARG A 11 -8.561 6.050 1.760 1.00 0.00 N ATOM 128 NH2 ARG A 11 -10.262 4.956 0.622 1.00 0.00 N ATOM 0 H ARG A 11 -4.484 1.748 -0.682 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.976 3.454 -2.808 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.969 4.080 0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.149 5.258 -1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.217 4.037 -1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.053 2.936 -0.540 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.266 4.839 1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.377 5.966 -0.279 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.398 4.083 -0.798 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.570 6.263 1.876 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.248 6.458 2.394 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.566 4.335 -0.128 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.948 5.364 1.256 1.00 0.00 H new ATOM 142 N VAL A 12 -1.505 3.662 -2.923 1.00 0.00 N ATOM 143 CA VAL A 12 -0.084 3.949 -3.024 1.00 0.00 C ATOM 144 C VAL A 12 0.111 5.433 -3.341 1.00 0.00 C ATOM 145 O VAL A 12 -0.094 5.861 -4.476 1.00 0.00 O ATOM 146 CB VAL A 12 0.563 3.026 -4.059 1.00 0.00 C ATOM 147 CG1 VAL A 12 1.968 3.512 -4.424 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.595 1.580 -3.560 1.00 0.00 C ATOM 0 H VAL A 12 -1.976 3.520 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 12 0.414 3.752 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.047 3.055 -4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.406 2.839 -5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.908 4.517 -4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.592 3.526 -3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.060 0.945 -4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.171 1.527 -2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.423 1.237 -3.374 1.00 0.00 H new ATOM 158 N PHE A 13 0.504 6.177 -2.318 1.00 0.00 N ATOM 159 CA PHE A 13 0.730 7.604 -2.473 1.00 0.00 C ATOM 160 C PHE A 13 1.986 7.874 -3.303 1.00 0.00 C ATOM 161 O PHE A 13 3.035 7.280 -3.059 1.00 0.00 O ATOM 162 CB PHE A 13 0.926 8.181 -1.070 1.00 0.00 C ATOM 163 CG PHE A 13 -0.379 8.433 -0.312 1.00 0.00 C ATOM 164 CD1 PHE A 13 -1.385 7.519 -0.368 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.533 9.570 0.418 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.596 7.753 0.335 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.744 9.803 1.121 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.750 8.890 1.065 1.00 0.00 C ATOM 0 H PHE A 13 0.672 5.818 -1.378 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.116 8.061 -2.986 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.544 7.496 -0.490 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.476 9.119 -1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.262 6.616 -0.947 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.266 10.295 0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.395 7.028 0.290 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.866 10.706 1.701 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.671 9.068 1.600 1.00 0.00 H new ATOM 178 N ILE A 14 1.838 8.770 -4.268 1.00 0.00 N ATOM 179 CA ILE A 14 2.948 9.126 -5.135 1.00 0.00 C ATOM 180 C ILE A 14 2.961 10.642 -5.344 1.00 0.00 C ATOM 181 O ILE A 14 1.914 11.286 -5.309 1.00 0.00 O ATOM 182 CB ILE A 14 2.887 8.327 -6.439 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.598 8.627 -7.206 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.059 6.830 -6.173 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.906 9.166 -8.605 1.00 0.00 C ATOM 0 H ILE A 14 0.966 9.260 -4.468 1.00 0.00 H new ATOM 0 HA ILE A 14 3.896 8.860 -4.668 1.00 0.00 H new ATOM 0 HB ILE A 14 3.718 8.640 -7.070 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.998 7.720 -7.285 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.003 9.355 -6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.012 6.285 -7.116 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.025 6.653 -5.700 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.263 6.484 -5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.973 9.371 -9.129 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.485 10.086 -8.521 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.480 8.425 -9.162 1.00 0.00 H new ATOM 197 N ALA A 15 4.159 11.167 -5.555 1.00 0.00 N ATOM 198 CA ALA A 15 4.323 12.595 -5.769 1.00 0.00 C ATOM 199 C ALA A 15 4.893 12.835 -7.168 1.00 0.00 C ATOM 200 O ALA A 15 6.086 13.092 -7.321 1.00 0.00 O ATOM 201 CB ALA A 15 5.213 13.177 -4.669 1.00 0.00 C ATOM 0 H ALA A 15 5.025 10.629 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 15 3.361 13.104 -5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.336 14.248 -4.829 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.749 13.006 -3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.189 12.692 -4.695 1.00 0.00 H new ATOM 207 N SER A 16 4.013 12.742 -8.155 1.00 0.00 N ATOM 208 CA SER A 16 4.414 12.946 -9.537 1.00 0.00 C ATOM 209 C SER A 16 5.427 14.089 -9.625 1.00 0.00 C ATOM 210 O SER A 16 6.299 14.086 -10.492 1.00 0.00 O ATOM 211 CB SER A 16 3.203 13.241 -10.424 1.00 0.00 C ATOM 212 OG SER A 16 2.702 14.560 -10.223 1.00 0.00 O ATOM 0 H SER A 16 3.024 12.528 -8.025 1.00 0.00 H new ATOM 0 HA SER A 16 4.879 12.028 -9.897 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.481 13.114 -11.470 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.415 12.518 -10.214 1.00 0.00 H new ATOM 0 HG SER A 16 1.931 14.710 -10.809 1.00 0.00 H new ATOM 218 N SER A 17 5.278 15.040 -8.714 1.00 0.00 N ATOM 219 CA SER A 17 6.169 16.187 -8.678 1.00 0.00 C ATOM 220 C SER A 17 6.995 16.168 -7.390 1.00 0.00 C ATOM 221 O SER A 17 6.609 16.775 -6.392 1.00 0.00 O ATOM 222 CB SER A 17 5.386 17.497 -8.787 1.00 0.00 C ATOM 223 OG SER A 17 6.143 18.521 -9.427 1.00 0.00 O ATOM 0 H SER A 17 4.554 15.039 -7.996 1.00 0.00 H new ATOM 0 HA SER A 17 6.841 16.125 -9.534 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.466 17.324 -9.345 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.096 17.830 -7.790 1.00 0.00 H new ATOM 0 HG SER A 17 5.607 19.340 -9.478 1.00 0.00 H new ATOM 229 N SER A 18 8.116 15.465 -7.454 1.00 0.00 N ATOM 230 CA SER A 18 9.000 15.359 -6.306 1.00 0.00 C ATOM 231 C SER A 18 10.397 15.865 -6.671 1.00 0.00 C ATOM 232 O SER A 18 10.897 16.811 -6.065 1.00 0.00 O ATOM 233 CB SER A 18 9.073 13.918 -5.798 1.00 0.00 C ATOM 234 OG SER A 18 10.110 13.742 -4.837 1.00 0.00 O ATOM 0 H SER A 18 8.432 14.963 -8.284 1.00 0.00 H new ATOM 0 HA SER A 18 8.595 15.978 -5.505 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.117 13.641 -5.354 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.240 13.245 -6.639 1.00 0.00 H new ATOM 0 HG SER A 18 10.123 12.809 -4.536 1.00 0.00 H new ATOM 240 N GLY A 19 10.987 15.211 -7.661 1.00 0.00 N ATOM 241 CA GLY A 19 12.317 15.582 -8.115 1.00 0.00 C ATOM 242 C GLY A 19 13.301 14.425 -7.933 1.00 0.00 C ATOM 243 O GLY A 19 14.335 14.375 -8.597 1.00 0.00 O ATOM 0 H GLY A 19 10.569 14.427 -8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.279 15.870 -9.166 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.666 16.452 -7.558 1.00 0.00 H new ATOM 247 N PHE A 20 12.945 13.524 -7.029 1.00 0.00 N ATOM 248 CA PHE A 20 13.785 12.371 -6.750 1.00 0.00 C ATOM 249 C PHE A 20 13.437 11.204 -7.676 1.00 0.00 C ATOM 250 O PHE A 20 12.669 10.318 -7.302 1.00 0.00 O ATOM 251 CB PHE A 20 13.511 11.958 -5.303 1.00 0.00 C ATOM 252 CG PHE A 20 14.161 12.872 -4.262 1.00 0.00 C ATOM 253 CD1 PHE A 20 13.912 14.208 -4.279 1.00 0.00 C ATOM 254 CD2 PHE A 20 14.989 12.347 -3.319 1.00 0.00 C ATOM 255 CE1 PHE A 20 14.515 15.056 -3.313 1.00 0.00 C ATOM 256 CE2 PHE A 20 15.592 13.195 -2.352 1.00 0.00 C ATOM 257 CZ PHE A 20 15.342 14.532 -2.370 1.00 0.00 C ATOM 0 H PHE A 20 12.086 13.569 -6.480 1.00 0.00 H new ATOM 0 HA PHE A 20 14.833 12.626 -6.908 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.434 11.944 -5.138 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.870 10.940 -5.152 1.00 0.00 H new ATOM 0 HD1 PHE A 20 13.255 14.625 -5.028 1.00 0.00 H new ATOM 0 HD2 PHE A 20 15.188 11.286 -3.306 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.317 16.118 -3.327 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.249 12.778 -1.603 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.801 15.177 -1.635 1.00 0.00 H new ATOM 267 N VAL A 21 14.018 11.240 -8.866 1.00 0.00 N ATOM 268 CA VAL A 21 13.779 10.196 -9.848 1.00 0.00 C ATOM 269 C VAL A 21 13.830 8.831 -9.157 1.00 0.00 C ATOM 270 O VAL A 21 13.039 7.943 -9.471 1.00 0.00 O ATOM 271 CB VAL A 21 14.780 10.321 -10.999 1.00 0.00 C ATOM 272 CG1 VAL A 21 16.195 9.967 -10.536 1.00 0.00 C ATOM 273 CG2 VAL A 21 14.359 9.454 -12.187 1.00 0.00 C ATOM 0 H VAL A 21 14.654 11.976 -9.173 1.00 0.00 H new ATOM 0 HA VAL A 21 12.786 10.303 -10.285 1.00 0.00 H new ATOM 0 HB VAL A 21 14.785 11.360 -11.327 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.887 10.064 -11.373 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.496 10.644 -9.736 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.212 8.941 -10.169 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.087 9.561 -12.991 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.311 8.410 -11.877 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.378 9.773 -12.540 1.00 0.00 H new ATOM 283 N ALA A 22 14.768 8.707 -8.230 1.00 0.00 N ATOM 284 CA ALA A 22 14.932 7.466 -7.492 1.00 0.00 C ATOM 285 C ALA A 22 13.585 7.051 -6.896 1.00 0.00 C ATOM 286 O ALA A 22 13.192 5.889 -6.992 1.00 0.00 O ATOM 287 CB ALA A 22 16.012 7.646 -6.424 1.00 0.00 C ATOM 0 H ALA A 22 15.423 9.446 -7.973 1.00 0.00 H new ATOM 0 HA ALA A 22 15.260 6.665 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 22 16.135 6.715 -5.870 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.955 7.912 -6.901 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.717 8.440 -5.738 1.00 0.00 H new ATOM 293 N ILE A 23 12.916 8.023 -6.293 1.00 0.00 N ATOM 294 CA ILE A 23 11.622 7.773 -5.681 1.00 0.00 C ATOM 295 C ILE A 23 10.624 7.353 -6.762 1.00 0.00 C ATOM 296 O ILE A 23 9.907 6.367 -6.601 1.00 0.00 O ATOM 297 CB ILE A 23 11.172 8.986 -4.865 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.961 9.092 -3.559 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.662 8.953 -4.622 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.762 10.462 -2.908 1.00 0.00 C ATOM 0 H ILE A 23 13.246 8.985 -6.215 1.00 0.00 H new ATOM 0 HA ILE A 23 11.689 6.948 -4.971 1.00 0.00 H new ATOM 0 HB ILE A 23 11.386 9.885 -5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.641 8.309 -2.872 1.00 0.00 H new ATOM 0 HG13 ILE A 23 13.021 8.929 -3.756 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.368 9.826 -4.040 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.139 8.962 -5.578 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.401 8.047 -4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.334 10.511 -1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 23 12.106 11.241 -3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.704 10.611 -2.690 1.00 0.00 H new ATOM 312 N LYS A 24 10.610 8.124 -7.840 1.00 0.00 N ATOM 313 CA LYS A 24 9.711 7.845 -8.947 1.00 0.00 C ATOM 314 C LYS A 24 9.873 6.385 -9.374 1.00 0.00 C ATOM 315 O LYS A 24 8.890 5.712 -9.682 1.00 0.00 O ATOM 316 CB LYS A 24 9.934 8.845 -10.083 1.00 0.00 C ATOM 317 CG LYS A 24 10.019 8.132 -11.434 1.00 0.00 C ATOM 318 CD LYS A 24 9.715 9.095 -12.583 1.00 0.00 C ATOM 319 CE LYS A 24 10.936 9.270 -13.489 1.00 0.00 C ATOM 320 NZ LYS A 24 10.589 10.085 -14.675 1.00 0.00 N ATOM 0 H LYS A 24 11.207 8.941 -7.970 1.00 0.00 H new ATOM 0 HA LYS A 24 8.674 7.975 -8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.119 9.568 -10.100 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.853 9.404 -9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.015 7.709 -11.564 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.314 7.301 -11.455 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.876 8.717 -13.167 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.414 10.063 -12.181 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.742 9.750 -12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.304 8.294 -13.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.429 10.194 -15.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.835 9.612 -15.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.260 11.022 -14.368 1.00 0.00 H new ATOM 334 N LYS A 25 11.120 5.937 -9.378 1.00 0.00 N ATOM 335 CA LYS A 25 11.422 4.569 -9.762 1.00 0.00 C ATOM 336 C LYS A 25 10.678 3.607 -8.834 1.00 0.00 C ATOM 337 O LYS A 25 9.856 2.812 -9.287 1.00 0.00 O ATOM 338 CB LYS A 25 12.935 4.344 -9.795 1.00 0.00 C ATOM 339 CG LYS A 25 13.552 4.948 -11.059 1.00 0.00 C ATOM 340 CD LYS A 25 14.186 3.864 -11.932 1.00 0.00 C ATOM 341 CE LYS A 25 15.712 3.960 -11.904 1.00 0.00 C ATOM 342 NZ LYS A 25 16.261 3.904 -13.277 1.00 0.00 N ATOM 0 H LYS A 25 11.933 6.497 -9.121 1.00 0.00 H new ATOM 0 HA LYS A 25 11.071 4.371 -10.775 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.392 4.792 -8.913 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.148 3.276 -9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.785 5.474 -11.627 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.306 5.685 -10.783 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.874 2.881 -11.581 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.831 3.964 -12.958 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.015 4.890 -11.423 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.123 3.145 -11.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.298 3.970 -13.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.988 3.005 -13.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.883 4.697 -13.834 1.00 0.00 H new ATOM 356 N LYS A 26 10.993 3.710 -7.551 1.00 0.00 N ATOM 357 CA LYS A 26 10.364 2.860 -6.555 1.00 0.00 C ATOM 358 C LYS A 26 8.848 2.883 -6.755 1.00 0.00 C ATOM 359 O LYS A 26 8.216 1.833 -6.866 1.00 0.00 O ATOM 360 CB LYS A 26 10.806 3.266 -5.147 1.00 0.00 C ATOM 361 CG LYS A 26 12.320 3.123 -4.985 1.00 0.00 C ATOM 362 CD LYS A 26 12.803 3.818 -3.711 1.00 0.00 C ATOM 363 CE LYS A 26 14.292 3.557 -3.474 1.00 0.00 C ATOM 364 NZ LYS A 26 14.687 3.999 -2.118 1.00 0.00 N ATOM 0 H LYS A 26 11.676 4.370 -7.178 1.00 0.00 H new ATOM 0 HA LYS A 26 10.686 1.826 -6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.512 4.297 -4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.298 2.645 -4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.588 2.067 -4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.824 3.552 -5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.626 4.891 -3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.227 3.461 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.504 2.494 -3.593 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.883 4.086 -4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.700 3.814 -1.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.503 5.018 -2.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.136 3.476 -1.408 1.00 0.00 H new ATOM 378 N GLN A 27 8.306 4.092 -6.793 1.00 0.00 N ATOM 379 CA GLN A 27 6.876 4.265 -6.977 1.00 0.00 C ATOM 380 C GLN A 27 6.345 3.257 -7.998 1.00 0.00 C ATOM 381 O GLN A 27 5.227 2.763 -7.865 1.00 0.00 O ATOM 382 CB GLN A 27 6.547 5.698 -7.401 1.00 0.00 C ATOM 383 CG GLN A 27 6.773 6.677 -6.247 1.00 0.00 C ATOM 384 CD GLN A 27 6.223 8.063 -6.588 1.00 0.00 C ATOM 385 OE1 GLN A 27 5.721 8.786 -5.742 1.00 0.00 O ATOM 386 NE2 GLN A 27 6.344 8.393 -7.871 1.00 0.00 N ATOM 0 H GLN A 27 8.832 4.961 -6.699 1.00 0.00 H new ATOM 0 HA GLN A 27 6.383 4.080 -6.023 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.169 5.982 -8.250 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.510 5.754 -7.732 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.288 6.301 -5.346 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.839 6.748 -6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.774 7.741 -8.527 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.007 9.298 -8.199 1.00 0.00 H new ATOM 395 N GLN A 28 7.174 2.981 -8.995 1.00 0.00 N ATOM 396 CA GLN A 28 6.802 2.040 -10.038 1.00 0.00 C ATOM 397 C GLN A 28 6.823 0.610 -9.495 1.00 0.00 C ATOM 398 O GLN A 28 5.775 -0.017 -9.346 1.00 0.00 O ATOM 399 CB GLN A 28 7.721 2.178 -11.254 1.00 0.00 C ATOM 400 CG GLN A 28 7.682 3.603 -11.812 1.00 0.00 C ATOM 401 CD GLN A 28 9.028 3.987 -12.430 1.00 0.00 C ATOM 402 OE1 GLN A 28 9.505 5.101 -12.298 1.00 0.00 O ATOM 403 NE2 GLN A 28 9.611 3.004 -13.110 1.00 0.00 N ATOM 0 H GLN A 28 8.101 3.392 -9.102 1.00 0.00 H new ATOM 0 HA GLN A 28 5.787 2.270 -10.362 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.742 1.921 -10.973 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.416 1.472 -12.027 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.897 3.681 -12.564 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.431 4.303 -11.015 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.156 2.094 -13.181 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.513 3.160 -13.560 1.00 0.00 H new ATOM 412 N ASP A 29 8.028 0.135 -9.214 1.00 0.00 N ATOM 413 CA ASP A 29 8.199 -1.209 -8.690 1.00 0.00 C ATOM 414 C ASP A 29 7.043 -1.533 -7.742 1.00 0.00 C ATOM 415 O ASP A 29 6.604 -2.680 -7.660 1.00 0.00 O ATOM 416 CB ASP A 29 9.505 -1.332 -7.903 1.00 0.00 C ATOM 417 CG ASP A 29 10.088 -2.745 -7.833 1.00 0.00 C ATOM 418 OD1 ASP A 29 9.563 -3.612 -8.565 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.044 -2.926 -7.050 1.00 0.00 O ATOM 0 H ASP A 29 8.895 0.657 -9.340 1.00 0.00 H new ATOM 0 HA ASP A 29 8.220 -1.899 -9.533 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.246 -0.671 -8.353 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.334 -0.975 -6.887 1.00 0.00 H new ATOM 424 N VAL A 30 6.582 -0.503 -7.048 1.00 0.00 N ATOM 425 CA VAL A 30 5.486 -0.664 -6.108 1.00 0.00 C ATOM 426 C VAL A 30 4.231 -1.104 -6.865 1.00 0.00 C ATOM 427 O VAL A 30 3.749 -2.220 -6.678 1.00 0.00 O ATOM 428 CB VAL A 30 5.283 0.629 -5.314 1.00 0.00 C ATOM 429 CG1 VAL A 30 3.999 0.567 -4.484 1.00 0.00 C ATOM 430 CG2 VAL A 30 6.495 0.924 -4.428 1.00 0.00 C ATOM 0 H VAL A 30 6.948 0.447 -7.118 1.00 0.00 H new ATOM 0 HA VAL A 30 5.717 -1.443 -5.381 1.00 0.00 H new ATOM 0 HB VAL A 30 5.182 1.447 -6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.879 1.498 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.144 0.426 -5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.058 -0.267 -3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.325 1.848 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.641 0.103 -3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.383 1.032 -5.051 1.00 0.00 H new ATOM 440 N VAL A 31 3.739 -0.204 -7.703 1.00 0.00 N ATOM 441 CA VAL A 31 2.549 -0.485 -8.489 1.00 0.00 C ATOM 442 C VAL A 31 2.846 -1.626 -9.464 1.00 0.00 C ATOM 443 O VAL A 31 2.064 -2.569 -9.578 1.00 0.00 O ATOM 444 CB VAL A 31 2.071 0.789 -9.188 1.00 0.00 C ATOM 445 CG1 VAL A 31 2.307 2.019 -8.308 1.00 0.00 C ATOM 446 CG2 VAL A 31 2.744 0.953 -10.552 1.00 0.00 C ATOM 0 H VAL A 31 4.142 0.720 -7.855 1.00 0.00 H new ATOM 0 HA VAL A 31 1.733 -0.812 -7.844 1.00 0.00 H new ATOM 0 HB VAL A 31 0.998 0.697 -9.354 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.958 2.911 -8.828 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.759 1.907 -7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.372 2.116 -8.096 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.386 1.866 -11.027 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.824 1.012 -10.420 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.502 0.097 -11.182 1.00 0.00 H new ATOM 456 N ARG A 32 3.977 -1.503 -10.142 1.00 0.00 N ATOM 457 CA ARG A 32 4.386 -2.513 -11.104 1.00 0.00 C ATOM 458 C ARG A 32 4.037 -3.910 -10.588 1.00 0.00 C ATOM 459 O ARG A 32 3.376 -4.684 -11.278 1.00 0.00 O ATOM 460 CB ARG A 32 5.890 -2.438 -11.374 1.00 0.00 C ATOM 461 CG ARG A 32 6.265 -1.104 -12.024 1.00 0.00 C ATOM 462 CD ARG A 32 6.617 -1.293 -13.501 1.00 0.00 C ATOM 463 NE ARG A 32 7.977 -1.863 -13.628 1.00 0.00 N ATOM 464 CZ ARG A 32 8.455 -2.424 -14.747 1.00 0.00 C ATOM 465 NH1 ARG A 32 7.686 -2.495 -15.842 1.00 0.00 N ATOM 466 NH2 ARG A 32 9.701 -2.915 -14.771 1.00 0.00 N ATOM 0 H ARG A 32 4.623 -0.720 -10.045 1.00 0.00 H new ATOM 0 HA ARG A 32 3.851 -2.321 -12.034 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.437 -2.558 -10.439 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.188 -3.260 -12.025 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.435 -0.404 -11.931 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.113 -0.665 -11.498 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.891 -1.954 -13.975 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.564 -0.337 -14.021 1.00 0.00 H new ATOM 0 HE ARG A 32 8.589 -1.826 -12.813 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.737 -2.122 -15.824 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.050 -2.922 -16.694 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.286 -2.862 -13.937 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.065 -3.342 -15.623 1.00 0.00 H new ATOM 480 N PHE A 33 4.497 -4.191 -9.377 1.00 0.00 N ATOM 481 CA PHE A 33 4.241 -5.482 -8.760 1.00 0.00 C ATOM 482 C PHE A 33 2.739 -5.751 -8.655 1.00 0.00 C ATOM 483 O PHE A 33 2.266 -6.816 -9.048 1.00 0.00 O ATOM 484 CB PHE A 33 4.838 -5.431 -7.353 1.00 0.00 C ATOM 485 CG PHE A 33 4.864 -6.784 -6.638 1.00 0.00 C ATOM 486 CD1 PHE A 33 3.719 -7.299 -6.117 1.00 0.00 C ATOM 487 CD2 PHE A 33 6.032 -7.471 -6.525 1.00 0.00 C ATOM 488 CE1 PHE A 33 3.742 -8.555 -5.454 1.00 0.00 C ATOM 489 CE2 PHE A 33 6.056 -8.726 -5.862 1.00 0.00 C ATOM 490 CZ PHE A 33 4.911 -9.242 -5.341 1.00 0.00 C ATOM 0 H PHE A 33 5.045 -3.547 -8.807 1.00 0.00 H new ATOM 0 HA PHE A 33 4.684 -6.276 -9.361 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.855 -5.045 -7.415 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.265 -4.725 -6.752 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.792 -6.753 -6.207 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.941 -7.062 -6.940 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.832 -8.964 -5.040 1.00 0.00 H new ATOM 0 HE2 PHE A 33 6.984 -9.271 -5.771 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.929 -10.197 -4.837 1.00 0.00 H new ATOM 500 N LEU A 34 2.030 -4.766 -8.122 1.00 0.00 N ATOM 501 CA LEU A 34 0.591 -4.884 -7.959 1.00 0.00 C ATOM 502 C LEU A 34 -0.057 -5.095 -9.329 1.00 0.00 C ATOM 503 O LEU A 34 -0.912 -5.965 -9.488 1.00 0.00 O ATOM 504 CB LEU A 34 0.037 -3.678 -7.197 1.00 0.00 C ATOM 505 CG LEU A 34 0.741 -3.335 -5.882 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.418 -1.906 -5.444 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.403 -4.358 -4.796 1.00 0.00 C ATOM 0 H LEU A 34 2.425 -3.883 -7.798 1.00 0.00 H new ATOM 0 HA LEU A 34 0.347 -5.756 -7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.086 -2.807 -7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.017 -3.860 -6.986 1.00 0.00 H new ATOM 0 HG LEU A 34 1.817 -3.385 -6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.931 -1.688 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.750 -1.206 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.658 -1.804 -5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.916 -4.091 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.673 -4.364 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.725 -5.349 -5.116 1.00 0.00 H new ATOM 519 N GLU A 35 0.374 -4.284 -10.284 1.00 0.00 N ATOM 520 CA GLU A 35 -0.153 -4.371 -11.635 1.00 0.00 C ATOM 521 C GLU A 35 0.141 -5.749 -12.232 1.00 0.00 C ATOM 522 O GLU A 35 -0.745 -6.385 -12.800 1.00 0.00 O ATOM 523 CB GLU A 35 0.415 -3.258 -12.518 1.00 0.00 C ATOM 524 CG GLU A 35 -0.216 -1.908 -12.172 1.00 0.00 C ATOM 525 CD GLU A 35 -1.664 -1.838 -12.660 1.00 0.00 C ATOM 526 OE1 GLU A 35 -1.919 -2.376 -13.758 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.483 -1.247 -11.923 1.00 0.00 O ATOM 0 H GLU A 35 1.083 -3.563 -10.149 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.234 -4.239 -11.591 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.496 -3.202 -12.389 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.231 -3.491 -13.567 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.184 -1.754 -11.093 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.364 -1.105 -12.626 1.00 0.00 H new ATOM 534 N ALA A 36 1.388 -6.169 -12.082 1.00 0.00 N ATOM 535 CA ALA A 36 1.810 -7.460 -12.599 1.00 0.00 C ATOM 536 C ALA A 36 1.130 -8.572 -11.798 1.00 0.00 C ATOM 537 O ALA A 36 0.984 -9.692 -12.286 1.00 0.00 O ATOM 538 CB ALA A 36 3.336 -7.555 -12.550 1.00 0.00 C ATOM 0 H ALA A 36 2.120 -5.638 -11.610 1.00 0.00 H new ATOM 0 HA ALA A 36 1.510 -7.574 -13.641 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.653 -8.523 -12.938 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.770 -6.761 -13.158 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.674 -7.449 -11.519 1.00 0.00 H new ATOM 544 N ASN A 37 0.732 -8.225 -10.583 1.00 0.00 N ATOM 545 CA ASN A 37 0.071 -9.180 -9.711 1.00 0.00 C ATOM 546 C ASN A 37 -1.436 -8.911 -9.716 1.00 0.00 C ATOM 547 O ASN A 37 -2.180 -9.511 -8.942 1.00 0.00 O ATOM 548 CB ASN A 37 0.569 -9.047 -8.270 1.00 0.00 C ATOM 549 CG ASN A 37 1.882 -9.806 -8.072 1.00 0.00 C ATOM 550 OD1 ASN A 37 1.907 -11.003 -7.834 1.00 0.00 O ATOM 551 ND2 ASN A 37 2.969 -9.047 -8.183 1.00 0.00 N ATOM 0 H ASN A 37 0.855 -7.295 -10.182 1.00 0.00 H new ATOM 0 HA ASN A 37 0.293 -10.182 -10.079 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.713 -7.994 -8.027 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.185 -9.432 -7.584 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.894 -9.461 -8.068 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.877 -8.051 -8.384 1.00 0.00 H new ATOM 558 N LYS A 38 -1.840 -8.009 -10.598 1.00 0.00 N ATOM 559 CA LYS A 38 -3.244 -7.654 -10.715 1.00 0.00 C ATOM 560 C LYS A 38 -3.827 -7.429 -9.318 1.00 0.00 C ATOM 561 O LYS A 38 -4.942 -7.862 -9.030 1.00 0.00 O ATOM 562 CB LYS A 38 -3.997 -8.706 -11.533 1.00 0.00 C ATOM 563 CG LYS A 38 -3.593 -8.645 -13.008 1.00 0.00 C ATOM 564 CD LYS A 38 -4.191 -7.412 -13.689 1.00 0.00 C ATOM 565 CE LYS A 38 -5.227 -7.815 -14.741 1.00 0.00 C ATOM 566 NZ LYS A 38 -6.597 -7.561 -14.243 1.00 0.00 N ATOM 0 H LYS A 38 -1.220 -7.513 -11.238 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.355 -6.718 -11.262 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.788 -9.699 -11.136 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.071 -8.545 -11.439 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.506 -8.620 -13.091 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.930 -9.547 -13.519 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.657 -6.770 -12.942 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.397 -6.831 -14.159 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.058 -7.254 -15.660 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.113 -8.871 -14.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.288 -7.840 -14.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.760 -8.115 -13.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.707 -6.549 -14.031 1.00 0.00 H new ATOM 580 N ILE A 39 -3.046 -6.754 -8.488 1.00 0.00 N ATOM 581 CA ILE A 39 -3.471 -6.467 -7.128 1.00 0.00 C ATOM 582 C ILE A 39 -4.192 -5.118 -7.098 1.00 0.00 C ATOM 583 O ILE A 39 -3.868 -4.219 -7.873 1.00 0.00 O ATOM 584 CB ILE A 39 -2.283 -6.551 -6.167 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.855 -8.003 -5.951 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.595 -5.842 -4.847 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.502 -8.076 -5.239 1.00 0.00 C ATOM 0 H ILE A 39 -2.122 -6.397 -8.730 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.183 -7.217 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.439 -6.031 -6.620 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.609 -8.524 -5.361 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.792 -8.514 -6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.735 -5.916 -4.182 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.814 -4.792 -5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.459 -6.312 -4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.221 -9.120 -5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.255 -7.575 -5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.575 -7.585 -4.268 1.00 0.00 H new ATOM 599 N GLU A 40 -5.156 -5.018 -6.195 1.00 0.00 N ATOM 600 CA GLU A 40 -5.926 -3.794 -6.054 1.00 0.00 C ATOM 601 C GLU A 40 -5.072 -2.702 -5.406 1.00 0.00 C ATOM 602 O GLU A 40 -4.350 -2.962 -4.445 1.00 0.00 O ATOM 603 CB GLU A 40 -7.204 -4.040 -5.249 1.00 0.00 C ATOM 604 CG GLU A 40 -8.435 -3.541 -6.010 1.00 0.00 C ATOM 605 CD GLU A 40 -9.368 -2.755 -5.086 1.00 0.00 C ATOM 606 OE1 GLU A 40 -9.326 -3.031 -3.868 1.00 0.00 O ATOM 607 OE2 GLU A 40 -10.103 -1.897 -5.620 1.00 0.00 O ATOM 0 H GLU A 40 -5.422 -5.765 -5.553 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.221 -3.456 -7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.308 -5.105 -5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.136 -3.532 -4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.122 -2.908 -6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.970 -4.388 -6.439 1.00 0.00 H new ATOM 614 N PHE A 41 -5.184 -1.503 -5.959 1.00 0.00 N ATOM 615 CA PHE A 41 -4.431 -0.370 -5.447 1.00 0.00 C ATOM 616 C PHE A 41 -4.741 0.899 -6.244 1.00 0.00 C ATOM 617 O PHE A 41 -5.430 0.845 -7.261 1.00 0.00 O ATOM 618 CB PHE A 41 -2.948 -0.710 -5.608 1.00 0.00 C ATOM 619 CG PHE A 41 -2.416 -0.518 -7.029 1.00 0.00 C ATOM 620 CD1 PHE A 41 -2.119 0.730 -7.482 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.240 -1.595 -7.841 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.625 0.908 -8.801 1.00 0.00 C ATOM 623 CE2 PHE A 41 -1.746 -1.417 -9.160 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.449 -0.169 -9.613 1.00 0.00 C ATOM 0 H PHE A 41 -5.784 -1.291 -6.756 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.696 -0.186 -4.406 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.367 -0.088 -4.927 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.789 -1.746 -5.308 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.259 1.586 -6.838 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.476 -2.586 -7.482 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.389 1.899 -9.160 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.606 -2.273 -9.804 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.074 -0.034 -10.617 1.00 0.00 H new ATOM 634 N GLU A 42 -4.216 2.011 -5.751 1.00 0.00 N ATOM 635 CA GLU A 42 -4.428 3.292 -6.404 1.00 0.00 C ATOM 636 C GLU A 42 -3.233 4.216 -6.161 1.00 0.00 C ATOM 637 O GLU A 42 -2.663 4.225 -5.071 1.00 0.00 O ATOM 638 CB GLU A 42 -5.729 3.941 -5.928 1.00 0.00 C ATOM 639 CG GLU A 42 -5.657 4.288 -4.440 1.00 0.00 C ATOM 640 CD GLU A 42 -6.798 5.226 -4.039 1.00 0.00 C ATOM 641 OE1 GLU A 42 -7.920 5.000 -4.540 1.00 0.00 O ATOM 642 OE2 GLU A 42 -6.521 6.147 -3.241 1.00 0.00 O ATOM 0 H GLU A 42 -3.644 2.052 -4.907 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.517 3.121 -7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.922 4.844 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.564 3.264 -6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.707 3.375 -3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.699 4.759 -4.219 1.00 0.00 H new ATOM 649 N GLU A 43 -2.889 4.971 -7.194 1.00 0.00 N ATOM 650 CA GLU A 43 -1.773 5.896 -7.106 1.00 0.00 C ATOM 651 C GLU A 43 -2.250 7.257 -6.594 1.00 0.00 C ATOM 652 O GLU A 43 -2.565 8.145 -7.385 1.00 0.00 O ATOM 653 CB GLU A 43 -1.068 6.035 -8.456 1.00 0.00 C ATOM 654 CG GLU A 43 -0.086 4.883 -8.683 1.00 0.00 C ATOM 655 CD GLU A 43 0.266 4.747 -10.166 1.00 0.00 C ATOM 656 OE1 GLU A 43 -0.598 4.238 -10.911 1.00 0.00 O ATOM 657 OE2 GLU A 43 1.393 5.157 -10.521 1.00 0.00 O ATOM 0 H GLU A 43 -3.364 4.961 -8.097 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.050 5.495 -6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.808 6.050 -9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.535 6.985 -8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.822 5.055 -8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.523 3.952 -8.322 1.00 0.00 H new ATOM 664 N VAL A 44 -2.289 7.377 -5.275 1.00 0.00 N ATOM 665 CA VAL A 44 -2.722 8.615 -4.649 1.00 0.00 C ATOM 666 C VAL A 44 -1.674 9.701 -4.898 1.00 0.00 C ATOM 667 O VAL A 44 -0.710 9.823 -4.144 1.00 0.00 O ATOM 668 CB VAL A 44 -2.999 8.380 -3.163 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.265 9.702 -2.439 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.162 7.405 -2.969 1.00 0.00 C ATOM 0 H VAL A 44 -2.028 6.638 -4.623 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.657 8.960 -5.090 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.109 7.930 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.459 9.507 -1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.394 10.350 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.132 10.192 -2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.338 7.256 -1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.061 7.814 -3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.917 6.450 -3.434 1.00 0.00 H new ATOM 680 N ASP A 45 -1.899 10.464 -5.958 1.00 0.00 N ATOM 681 CA ASP A 45 -0.986 11.536 -6.315 1.00 0.00 C ATOM 682 C ASP A 45 -0.998 12.598 -5.214 1.00 0.00 C ATOM 683 O ASP A 45 -1.861 13.474 -5.199 1.00 0.00 O ATOM 684 CB ASP A 45 -1.410 12.208 -7.623 1.00 0.00 C ATOM 685 CG ASP A 45 -0.454 13.287 -8.135 1.00 0.00 C ATOM 686 OD1 ASP A 45 0.260 13.862 -7.286 1.00 0.00 O ATOM 687 OD2 ASP A 45 -0.459 13.512 -9.365 1.00 0.00 O ATOM 0 H ASP A 45 -2.700 10.361 -6.581 1.00 0.00 H new ATOM 0 HA ASP A 45 0.008 11.106 -6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.513 11.441 -8.391 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.395 12.653 -7.483 1.00 0.00 H new ATOM 692 N ILE A 46 -0.028 12.486 -4.317 1.00 0.00 N ATOM 693 CA ILE A 46 0.084 13.425 -3.215 1.00 0.00 C ATOM 694 C ILE A 46 0.475 14.801 -3.760 1.00 0.00 C ATOM 695 O ILE A 46 0.049 15.826 -3.230 1.00 0.00 O ATOM 696 CB ILE A 46 1.045 12.890 -2.151 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.493 12.949 -2.640 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.645 11.480 -1.711 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.407 12.104 -1.751 1.00 0.00 C ATOM 0 H ILE A 46 0.687 11.759 -4.332 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.877 13.541 -2.715 1.00 0.00 H new ATOM 0 HB ILE A 46 0.976 13.533 -1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.548 12.591 -3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.838 13.983 -2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.344 11.123 -0.955 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.362 11.501 -1.294 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.668 10.810 -2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.431 12.163 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.368 12.479 -0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.074 11.066 -1.769 1.00 0.00 H new ATOM 711 N THR A 47 1.280 14.778 -4.812 1.00 0.00 N ATOM 712 CA THR A 47 1.733 16.010 -5.434 1.00 0.00 C ATOM 713 C THR A 47 0.536 16.848 -5.891 1.00 0.00 C ATOM 714 O THR A 47 0.500 18.057 -5.671 1.00 0.00 O ATOM 715 CB THR A 47 2.687 15.642 -6.572 1.00 0.00 C ATOM 716 OG1 THR A 47 3.961 16.085 -6.114 1.00 0.00 O ATOM 717 CG2 THR A 47 2.438 16.468 -7.836 1.00 0.00 C ATOM 0 H THR A 47 1.630 13.926 -5.249 1.00 0.00 H new ATOM 0 HA THR A 47 2.276 16.635 -4.725 1.00 0.00 H new ATOM 0 HB THR A 47 2.582 14.582 -6.804 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.934 17.052 -5.956 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.142 16.167 -8.612 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.419 16.300 -8.185 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.575 17.526 -7.612 1.00 0.00 H new ATOM 725 N MET A 48 -0.414 16.171 -6.519 1.00 0.00 N ATOM 726 CA MET A 48 -1.608 16.837 -7.009 1.00 0.00 C ATOM 727 C MET A 48 -2.533 17.224 -5.854 1.00 0.00 C ATOM 728 O MET A 48 -2.984 18.366 -5.770 1.00 0.00 O ATOM 729 CB MET A 48 -2.353 15.908 -7.970 1.00 0.00 C ATOM 730 CG MET A 48 -1.679 15.885 -9.344 1.00 0.00 C ATOM 731 SD MET A 48 -1.948 17.438 -10.182 1.00 0.00 S ATOM 732 CE MET A 48 -0.276 17.814 -10.682 1.00 0.00 C ATOM 0 H MET A 48 -0.381 15.168 -6.700 1.00 0.00 H new ATOM 0 HA MET A 48 -1.306 17.746 -7.529 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.381 14.899 -7.558 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.386 16.239 -8.073 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.610 15.704 -9.231 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.080 15.066 -9.941 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.262 18.760 -11.223 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.359 17.891 -9.799 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.097 17.020 -11.329 1.00 0.00 H new ATOM 742 N SER A 49 -2.788 16.252 -4.991 1.00 0.00 N ATOM 743 CA SER A 49 -3.651 16.477 -3.844 1.00 0.00 C ATOM 744 C SER A 49 -2.807 16.786 -2.606 1.00 0.00 C ATOM 745 O SER A 49 -2.152 15.899 -2.059 1.00 0.00 O ATOM 746 CB SER A 49 -4.549 15.265 -3.584 1.00 0.00 C ATOM 747 OG SER A 49 -5.224 14.838 -4.764 1.00 0.00 O ATOM 0 H SER A 49 -2.412 15.307 -5.063 1.00 0.00 H new ATOM 0 HA SER A 49 -4.292 17.331 -4.062 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.947 14.445 -3.194 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.282 15.515 -2.817 1.00 0.00 H new ATOM 0 HG SER A 49 -5.785 14.062 -4.557 1.00 0.00 H new ATOM 753 N GLU A 50 -2.848 18.047 -2.200 1.00 0.00 N ATOM 754 CA GLU A 50 -2.095 18.484 -1.037 1.00 0.00 C ATOM 755 C GLU A 50 -2.590 17.763 0.218 1.00 0.00 C ATOM 756 O GLU A 50 -1.791 17.349 1.056 1.00 0.00 O ATOM 757 CB GLU A 50 -2.181 20.002 -0.867 1.00 0.00 C ATOM 758 CG GLU A 50 -1.312 20.473 0.300 1.00 0.00 C ATOM 759 CD GLU A 50 -0.404 21.630 -0.124 1.00 0.00 C ATOM 760 OE1 GLU A 50 0.146 21.538 -1.243 1.00 0.00 O ATOM 761 OE2 GLU A 50 -0.281 22.578 0.680 1.00 0.00 O ATOM 0 H GLU A 50 -3.391 18.780 -2.656 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.047 18.227 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.860 20.493 -1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.217 20.294 -0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.948 20.789 1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.705 19.644 0.664 1.00 0.00 H new ATOM 768 N GLU A 51 -3.906 17.633 0.307 1.00 0.00 N ATOM 769 CA GLU A 51 -4.517 16.969 1.446 1.00 0.00 C ATOM 770 C GLU A 51 -3.867 15.603 1.674 1.00 0.00 C ATOM 771 O GLU A 51 -3.193 15.392 2.681 1.00 0.00 O ATOM 772 CB GLU A 51 -6.028 16.833 1.255 1.00 0.00 C ATOM 773 CG GLU A 51 -6.731 16.600 2.594 1.00 0.00 C ATOM 774 CD GLU A 51 -8.210 16.265 2.386 1.00 0.00 C ATOM 775 OE1 GLU A 51 -8.814 16.894 1.491 1.00 0.00 O ATOM 776 OE2 GLU A 51 -8.702 15.387 3.127 1.00 0.00 O ATOM 0 H GLU A 51 -4.566 17.976 -0.391 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.350 17.581 2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.421 17.735 0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.240 16.004 0.580 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.242 15.786 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.640 17.490 3.216 1.00 0.00 H new ATOM 783 N GLN A 52 -4.095 14.709 0.723 1.00 0.00 N ATOM 784 CA GLN A 52 -3.540 13.368 0.808 1.00 0.00 C ATOM 785 C GLN A 52 -2.122 13.416 1.379 1.00 0.00 C ATOM 786 O GLN A 52 -1.841 12.797 2.405 1.00 0.00 O ATOM 787 CB GLN A 52 -3.558 12.680 -0.559 1.00 0.00 C ATOM 788 CG GLN A 52 -4.992 12.389 -1.008 1.00 0.00 C ATOM 789 CD GLN A 52 -5.702 11.470 -0.012 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.328 10.327 0.192 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.745 12.031 0.594 1.00 0.00 N ATOM 0 H GLN A 52 -4.656 14.887 -0.110 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.162 12.780 1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.064 13.314 -1.296 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.993 11.749 -0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.544 13.324 -1.103 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.981 11.924 -1.994 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.004 12.993 0.377 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.285 11.499 1.276 1.00 0.00 H new ATOM 800 N ARG A 53 -1.265 14.155 0.691 1.00 0.00 N ATOM 801 CA ARG A 53 0.117 14.291 1.117 1.00 0.00 C ATOM 802 C ARG A 53 0.184 14.590 2.616 1.00 0.00 C ATOM 803 O ARG A 53 0.876 13.898 3.361 1.00 0.00 O ATOM 804 CB ARG A 53 0.823 15.411 0.349 1.00 0.00 C ATOM 805 CG ARG A 53 2.343 15.258 0.431 1.00 0.00 C ATOM 806 CD ARG A 53 3.037 16.089 -0.650 1.00 0.00 C ATOM 807 NE ARG A 53 3.997 17.028 -0.028 1.00 0.00 N ATOM 808 CZ ARG A 53 4.539 18.077 -0.661 1.00 0.00 C ATOM 809 NH1 ARG A 53 4.218 18.328 -1.938 1.00 0.00 N ATOM 810 NH2 ARG A 53 5.402 18.875 -0.018 1.00 0.00 N ATOM 0 H ARG A 53 -1.501 14.666 -0.159 1.00 0.00 H new ATOM 0 HA ARG A 53 0.622 13.348 0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.508 15.396 -0.694 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.529 16.378 0.757 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.691 15.572 1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.613 14.208 0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.558 15.432 -1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.296 16.642 -1.227 1.00 0.00 H new ATOM 0 HE ARG A 53 4.263 16.866 0.943 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.561 17.720 -2.428 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.631 19.127 -2.420 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.646 18.684 0.954 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.815 19.674 -0.500 1.00 0.00 H new ATOM 824 N GLN A 54 -0.546 15.622 3.014 1.00 0.00 N ATOM 825 CA GLN A 54 -0.579 16.020 4.411 1.00 0.00 C ATOM 826 C GLN A 54 -0.888 14.814 5.300 1.00 0.00 C ATOM 827 O GLN A 54 -0.108 14.480 6.192 1.00 0.00 O ATOM 828 CB GLN A 54 -1.595 17.142 4.637 1.00 0.00 C ATOM 829 CG GLN A 54 -1.065 18.476 4.107 1.00 0.00 C ATOM 830 CD GLN A 54 0.316 18.788 4.687 1.00 0.00 C ATOM 831 OE1 GLN A 54 0.509 18.867 5.889 1.00 0.00 O ATOM 832 NE2 GLN A 54 1.262 18.960 3.768 1.00 0.00 N ATOM 0 H GLN A 54 -1.119 16.194 2.394 1.00 0.00 H new ATOM 0 HA GLN A 54 0.404 16.404 4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.532 16.895 4.138 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.814 17.230 5.701 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.007 18.442 3.019 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.760 19.275 4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.032 18.880 2.778 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.218 19.172 4.054 1.00 0.00 H new ATOM 841 N TRP A 55 -2.026 14.193 5.027 1.00 0.00 N ATOM 842 CA TRP A 55 -2.447 13.032 5.791 1.00 0.00 C ATOM 843 C TRP A 55 -1.268 12.058 5.860 1.00 0.00 C ATOM 844 O TRP A 55 -0.935 11.556 6.932 1.00 0.00 O ATOM 845 CB TRP A 55 -3.705 12.405 5.188 1.00 0.00 C ATOM 846 CG TRP A 55 -4.279 11.248 6.008 1.00 0.00 C ATOM 847 CD1 TRP A 55 -5.348 11.261 6.817 1.00 0.00 C ATOM 848 CD2 TRP A 55 -3.769 9.900 6.067 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.563 10.024 7.390 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.572 9.170 6.920 1.00 0.00 C ATOM 851 CE3 TRP A 55 -2.665 9.315 5.422 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.357 7.817 7.206 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.463 7.962 5.718 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.263 7.214 6.574 1.00 0.00 C ATOM 0 H TRP A 55 -2.670 14.473 4.287 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.723 13.318 6.806 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.468 13.176 5.083 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.475 12.046 4.185 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.963 12.130 6.998 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.311 9.781 8.039 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.023 9.866 4.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.000 7.268 7.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -1.627 7.464 5.249 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.041 6.172 6.751 1.00 0.00 H new ATOM 865 N MET A 56 -0.670 11.821 4.702 1.00 0.00 N ATOM 866 CA MET A 56 0.464 10.917 4.617 1.00 0.00 C ATOM 867 C MET A 56 1.564 11.322 5.601 1.00 0.00 C ATOM 868 O MET A 56 2.164 10.469 6.253 1.00 0.00 O ATOM 869 CB MET A 56 1.023 10.931 3.193 1.00 0.00 C ATOM 870 CG MET A 56 1.882 9.693 2.929 1.00 0.00 C ATOM 871 SD MET A 56 2.672 9.827 1.333 1.00 0.00 S ATOM 872 CE MET A 56 3.780 11.190 1.649 1.00 0.00 C ATOM 0 H MET A 56 -0.949 12.239 3.815 1.00 0.00 H new ATOM 0 HA MET A 56 0.124 9.914 4.874 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.202 10.968 2.477 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.619 11.831 3.041 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.636 9.590 3.710 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.263 8.797 2.963 1.00 0.00 H new ATOM 0 HE1 MET A 56 4.655 11.105 1.004 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.268 12.130 1.443 1.00 0.00 H new ATOM 0 HE3 MET A 56 4.095 11.169 2.692 1.00 0.00 H new ATOM 882 N TYR A 57 1.794 12.625 5.677 1.00 0.00 N ATOM 883 CA TYR A 57 2.811 13.154 6.571 1.00 0.00 C ATOM 884 C TYR A 57 2.364 13.053 8.031 1.00 0.00 C ATOM 885 O TYR A 57 3.116 13.400 8.939 1.00 0.00 O ATOM 886 CB TYR A 57 2.972 14.629 6.200 1.00 0.00 C ATOM 887 CG TYR A 57 3.795 14.866 4.932 1.00 0.00 C ATOM 888 CD1 TYR A 57 3.975 13.842 4.025 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.357 16.104 4.696 1.00 0.00 C ATOM 890 CE1 TYR A 57 4.750 14.065 2.832 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.132 16.327 3.503 1.00 0.00 C ATOM 892 CZ TYR A 57 5.290 15.296 2.630 1.00 0.00 C ATOM 893 OH TYR A 57 6.022 15.507 1.503 1.00 0.00 O ATOM 0 H TYR A 57 1.294 13.330 5.135 1.00 0.00 H new ATOM 0 HA TYR A 57 3.740 12.594 6.470 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.984 15.069 6.067 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.445 15.152 7.031 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.535 12.873 4.210 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.216 16.906 5.406 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.899 13.272 2.114 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.578 17.291 3.306 1.00 0.00 H new ATOM 0 HH TYR A 57 6.968 15.331 1.690 1.00 0.00 H new ATOM 903 N LYS A 58 1.140 12.576 8.210 1.00 0.00 N ATOM 904 CA LYS A 58 0.584 12.425 9.544 1.00 0.00 C ATOM 905 C LYS A 58 0.557 10.942 9.916 1.00 0.00 C ATOM 906 O LYS A 58 0.383 10.593 11.082 1.00 0.00 O ATOM 907 CB LYS A 58 -0.782 13.108 9.635 1.00 0.00 C ATOM 908 CG LYS A 58 -0.661 14.613 9.393 1.00 0.00 C ATOM 909 CD LYS A 58 -1.599 15.395 10.315 1.00 0.00 C ATOM 910 CE LYS A 58 -1.930 16.767 9.725 1.00 0.00 C ATOM 911 NZ LYS A 58 -1.925 17.801 10.784 1.00 0.00 N ATOM 0 H LYS A 58 0.519 12.289 7.454 1.00 0.00 H new ATOM 0 HA LYS A 58 1.214 12.926 10.279 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.460 12.672 8.901 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.217 12.928 10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.368 14.930 9.562 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.897 14.838 8.353 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.518 14.830 10.468 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.134 15.518 11.293 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.203 17.023 8.955 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.907 16.736 9.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.152 18.726 10.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.636 17.563 11.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.984 17.841 11.225 1.00 0.00 H new ATOM 925 N ASN A 59 0.731 10.107 8.901 1.00 0.00 N ATOM 926 CA ASN A 59 0.729 8.669 9.107 1.00 0.00 C ATOM 927 C ASN A 59 2.107 8.105 8.757 1.00 0.00 C ATOM 928 O ASN A 59 2.212 7.029 8.171 1.00 0.00 O ATOM 929 CB ASN A 59 -0.303 7.986 8.207 1.00 0.00 C ATOM 930 CG ASN A 59 -1.725 8.404 8.587 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.549 7.601 8.992 1.00 0.00 O ATOM 932 ND2 ASN A 59 -1.965 9.703 8.435 1.00 0.00 N ATOM 0 H ASN A 59 0.874 10.399 7.934 1.00 0.00 H new ATOM 0 HA ASN A 59 0.481 8.479 10.151 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.110 8.244 7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.204 6.904 8.290 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.884 10.082 8.662 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.230 10.321 8.091 1.00 0.00 H new ATOM 939 N VAL A 60 3.131 8.859 9.131 1.00 0.00 N ATOM 940 CA VAL A 60 4.499 8.448 8.864 1.00 0.00 C ATOM 941 C VAL A 60 5.419 9.020 9.945 1.00 0.00 C ATOM 942 O VAL A 60 5.563 10.236 10.062 1.00 0.00 O ATOM 943 CB VAL A 60 4.905 8.867 7.450 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.390 8.594 7.202 1.00 0.00 C ATOM 945 CG2 VAL A 60 4.036 8.171 6.401 1.00 0.00 C ATOM 0 H VAL A 60 3.041 9.752 9.616 1.00 0.00 H new ATOM 0 HA VAL A 60 4.586 7.362 8.904 1.00 0.00 H new ATOM 0 HB VAL A 60 4.743 9.941 7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.652 8.901 6.190 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.988 9.157 7.918 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.589 7.529 7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.346 8.486 5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.151 7.091 6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.991 8.439 6.558 1.00 0.00 H new ATOM 955 N PRO A 61 6.034 8.093 10.727 1.00 0.00 N ATOM 956 CA PRO A 61 6.936 8.493 11.793 1.00 0.00 C ATOM 957 C PRO A 61 8.279 8.959 11.230 1.00 0.00 C ATOM 958 O PRO A 61 8.551 8.789 10.042 1.00 0.00 O ATOM 959 CB PRO A 61 7.058 7.267 12.685 1.00 0.00 C ATOM 960 CG PRO A 61 6.597 6.090 11.841 1.00 0.00 C ATOM 961 CD PRO A 61 5.887 6.644 10.616 1.00 0.00 C ATOM 0 HA PRO A 61 6.565 9.347 12.360 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.086 7.128 13.020 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.443 7.371 13.579 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.448 5.477 11.544 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.926 5.449 12.414 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.335 6.270 9.695 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.837 6.352 10.601 1.00 0.00 H new ATOM 969 N PRO A 62 9.106 9.553 12.131 1.00 0.00 N ATOM 970 CA PRO A 62 10.415 10.044 11.736 1.00 0.00 C ATOM 971 C PRO A 62 11.399 8.889 11.543 1.00 0.00 C ATOM 972 O PRO A 62 12.329 8.989 10.744 1.00 0.00 O ATOM 973 CB PRO A 62 10.829 10.998 12.845 1.00 0.00 C ATOM 974 CG PRO A 62 9.954 10.652 14.039 1.00 0.00 C ATOM 975 CD PRO A 62 8.818 9.771 13.546 1.00 0.00 C ATOM 0 HA PRO A 62 10.399 10.556 10.774 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.885 10.881 13.087 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.685 12.035 12.542 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.536 10.133 14.801 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.561 11.558 14.500 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.782 8.829 14.093 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.852 10.257 13.683 1.00 0.00 H new ATOM 983 N GLU A 63 11.161 7.820 12.288 1.00 0.00 N ATOM 984 CA GLU A 63 12.015 6.647 12.208 1.00 0.00 C ATOM 985 C GLU A 63 11.856 5.966 10.847 1.00 0.00 C ATOM 986 O GLU A 63 12.740 5.232 10.409 1.00 0.00 O ATOM 987 CB GLU A 63 11.715 5.672 13.348 1.00 0.00 C ATOM 988 CG GLU A 63 10.591 4.707 12.963 1.00 0.00 C ATOM 989 CD GLU A 63 10.049 3.978 14.194 1.00 0.00 C ATOM 990 OE1 GLU A 63 9.297 4.627 14.952 1.00 0.00 O ATOM 991 OE2 GLU A 63 10.398 2.787 14.348 1.00 0.00 O ATOM 0 H GLU A 63 10.389 7.741 12.950 1.00 0.00 H new ATOM 0 HA GLU A 63 13.051 6.968 12.312 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.614 5.108 13.595 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.432 6.228 14.242 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.785 5.257 12.477 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.962 3.981 12.240 1.00 0.00 H new ATOM 998 N LYS A 64 10.721 6.232 10.217 1.00 0.00 N ATOM 999 CA LYS A 64 10.435 5.654 8.915 1.00 0.00 C ATOM 1000 C LYS A 64 10.777 6.671 7.824 1.00 0.00 C ATOM 1001 O LYS A 64 11.174 6.294 6.722 1.00 0.00 O ATOM 1002 CB LYS A 64 8.990 5.153 8.858 1.00 0.00 C ATOM 1003 CG LYS A 64 8.770 4.001 9.840 1.00 0.00 C ATOM 1004 CD LYS A 64 9.532 2.750 9.398 1.00 0.00 C ATOM 1005 CE LYS A 64 8.595 1.544 9.299 1.00 0.00 C ATOM 1006 NZ LYS A 64 9.238 0.450 8.537 1.00 0.00 N ATOM 0 H LYS A 64 9.989 6.840 10.584 1.00 0.00 H new ATOM 0 HA LYS A 64 11.059 4.778 8.741 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.308 5.971 9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.755 4.823 7.846 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.100 4.299 10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.706 3.777 9.910 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.003 2.929 8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.331 2.537 10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.335 1.195 10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.665 1.837 8.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.589 -0.361 8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.464 0.782 7.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.113 0.159 9.018 1.00 0.00 H new ATOM 1020 N LYS A 65 10.610 7.939 8.168 1.00 0.00 N ATOM 1021 CA LYS A 65 10.896 9.013 7.232 1.00 0.00 C ATOM 1022 C LYS A 65 12.168 8.676 6.450 1.00 0.00 C ATOM 1023 O LYS A 65 13.212 8.408 7.042 1.00 0.00 O ATOM 1024 CB LYS A 65 10.960 10.357 7.960 1.00 0.00 C ATOM 1025 CG LYS A 65 9.577 11.009 8.029 1.00 0.00 C ATOM 1026 CD LYS A 65 9.625 12.312 8.829 1.00 0.00 C ATOM 1027 CE LYS A 65 8.353 12.492 9.660 1.00 0.00 C ATOM 1028 NZ LYS A 65 8.462 13.691 10.521 1.00 0.00 N ATOM 0 H LYS A 65 10.280 8.247 9.083 1.00 0.00 H new ATOM 0 HA LYS A 65 10.089 9.109 6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.348 10.211 8.968 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.654 11.021 7.445 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.215 11.210 7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.869 10.321 8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.495 12.308 9.486 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.742 13.156 8.149 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.491 12.588 9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.186 11.608 10.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.591 13.799 11.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.273 13.584 11.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.599 14.534 9.927 1.00 0.00 H new ATOM 1042 N PRO A 66 12.034 8.702 5.097 1.00 0.00 N ATOM 1043 CA PRO A 66 13.160 8.403 4.228 1.00 0.00 C ATOM 1044 C PRO A 66 14.146 9.571 4.187 1.00 0.00 C ATOM 1045 O PRO A 66 13.807 10.689 4.574 1.00 0.00 O ATOM 1046 CB PRO A 66 12.541 8.100 2.873 1.00 0.00 C ATOM 1047 CG PRO A 66 11.141 8.691 2.913 1.00 0.00 C ATOM 1048 CD PRO A 66 10.813 9.015 4.361 1.00 0.00 C ATOM 0 HA PRO A 66 13.750 7.557 4.580 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.128 8.541 2.068 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.507 7.026 2.691 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.089 9.590 2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.417 7.985 2.506 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.537 10.063 4.479 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.972 8.421 4.719 1.00 0.00 H new ATOM 1094 N ASN A 70 10.372 15.695 5.850 1.00 0.00 N ATOM 1095 CA ASN A 70 9.047 15.166 5.577 1.00 0.00 C ATOM 1096 C ASN A 70 9.177 13.826 4.850 1.00 0.00 C ATOM 1097 O ASN A 70 10.202 13.550 4.228 1.00 0.00 O ATOM 1098 CB ASN A 70 8.248 16.115 4.681 1.00 0.00 C ATOM 1099 CG ASN A 70 8.821 16.141 3.263 1.00 0.00 C ATOM 1100 OD1 ASN A 70 8.522 15.303 2.429 1.00 0.00 O ATOM 1101 ND2 ASN A 70 9.660 17.149 3.037 1.00 0.00 N ATOM 0 HA ASN A 70 8.529 15.048 6.529 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.205 15.800 4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.265 17.120 5.103 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.096 17.254 2.121 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.867 17.816 3.780 1.00 0.00 H new ATOM 1108 N PRO A 71 8.096 13.008 4.955 1.00 0.00 N ATOM 1109 CA PRO A 71 8.080 11.703 4.315 1.00 0.00 C ATOM 1110 C PRO A 71 7.875 11.837 2.804 1.00 0.00 C ATOM 1111 O PRO A 71 7.164 12.730 2.347 1.00 0.00 O ATOM 1112 CB PRO A 71 6.957 10.942 5.001 1.00 0.00 C ATOM 1113 CG PRO A 71 6.088 11.995 5.671 1.00 0.00 C ATOM 1114 CD PRO A 71 6.865 13.301 5.684 1.00 0.00 C ATOM 0 HA PRO A 71 9.026 11.171 4.420 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.381 10.362 4.280 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.353 10.238 5.733 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.149 12.115 5.131 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.835 11.691 6.687 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.302 14.101 5.204 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.076 13.626 6.703 1.00 0.00 H new ATOM 1122 N LEU A 72 8.511 10.934 2.072 1.00 0.00 N ATOM 1123 CA LEU A 72 8.408 10.940 0.622 1.00 0.00 C ATOM 1124 C LEU A 72 7.917 9.571 0.145 1.00 0.00 C ATOM 1125 O LEU A 72 8.050 8.578 0.857 1.00 0.00 O ATOM 1126 CB LEU A 72 9.733 11.372 -0.008 1.00 0.00 C ATOM 1127 CG LEU A 72 10.203 12.790 0.325 1.00 0.00 C ATOM 1128 CD1 LEU A 72 11.657 13.000 -0.103 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.268 13.835 -0.287 1.00 0.00 C ATOM 0 H LEU A 72 9.099 10.194 2.455 1.00 0.00 H new ATOM 0 HA LEU A 72 7.673 11.675 0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.507 10.671 0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.643 11.285 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 72 10.164 12.918 1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.966 14.015 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.296 12.288 0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.746 12.846 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.624 14.834 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.251 13.718 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.261 13.699 0.108 1.00 0.00 H new ATOM 1141 N PRO A 73 7.347 9.564 -1.089 1.00 0.00 N ATOM 1142 CA PRO A 73 6.836 8.334 -1.670 1.00 0.00 C ATOM 1143 C PRO A 73 7.979 7.440 -2.155 1.00 0.00 C ATOM 1144 O PRO A 73 9.130 7.872 -2.206 1.00 0.00 O ATOM 1145 CB PRO A 73 5.915 8.782 -2.793 1.00 0.00 C ATOM 1146 CG PRO A 73 6.302 10.219 -3.101 1.00 0.00 C ATOM 1147 CD PRO A 73 7.173 10.722 -1.962 1.00 0.00 C ATOM 0 HA PRO A 73 6.294 7.722 -0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.034 8.148 -3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.870 8.715 -2.491 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.841 10.275 -4.047 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.412 10.840 -3.204 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.132 11.089 -2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.696 11.548 -1.434 1.00 0.00 H new ATOM 1155 N PRO A 74 7.613 6.179 -2.509 1.00 0.00 N ATOM 1156 CA PRO A 74 6.228 5.749 -2.418 1.00 0.00 C ATOM 1157 C PRO A 74 5.827 5.495 -0.964 1.00 0.00 C ATOM 1158 O PRO A 74 6.684 5.282 -0.108 1.00 0.00 O ATOM 1159 CB PRO A 74 6.146 4.502 -3.283 1.00 0.00 C ATOM 1160 CG PRO A 74 7.577 4.015 -3.450 1.00 0.00 C ATOM 1161 CD PRO A 74 8.504 5.133 -3.002 1.00 0.00 C ATOM 0 HA PRO A 74 5.528 6.508 -2.768 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.527 3.739 -2.811 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.694 4.726 -4.249 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.747 3.117 -2.856 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.772 3.751 -4.489 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.186 4.793 -2.222 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.118 5.493 -3.828 1.00 0.00 H new ATOM 1169 N GLN A 75 4.523 5.526 -0.729 1.00 0.00 N ATOM 1170 CA GLN A 75 3.998 5.302 0.606 1.00 0.00 C ATOM 1171 C GLN A 75 2.723 4.458 0.541 1.00 0.00 C ATOM 1172 O GLN A 75 1.626 4.994 0.390 1.00 0.00 O ATOM 1173 CB GLN A 75 3.740 6.629 1.324 1.00 0.00 C ATOM 1174 CG GLN A 75 5.053 7.357 1.618 1.00 0.00 C ATOM 1175 CD GLN A 75 5.484 7.145 3.071 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.683 6.874 3.950 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.792 7.282 3.272 1.00 0.00 N ATOM 0 H GLN A 75 3.815 5.703 -1.442 1.00 0.00 H new ATOM 0 HA GLN A 75 4.745 4.754 1.181 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.099 7.261 0.709 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.206 6.445 2.256 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.832 6.995 0.947 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.934 8.423 1.422 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.407 7.510 2.491 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.180 7.159 4.207 1.00 0.00 H new ATOM 1186 N ILE A 76 2.910 3.152 0.658 1.00 0.00 N ATOM 1187 CA ILE A 76 1.789 2.228 0.614 1.00 0.00 C ATOM 1188 C ILE A 76 0.866 2.496 1.804 1.00 0.00 C ATOM 1189 O ILE A 76 1.334 2.797 2.901 1.00 0.00 O ATOM 1190 CB ILE A 76 2.288 0.784 0.535 1.00 0.00 C ATOM 1191 CG1 ILE A 76 2.940 0.502 -0.820 1.00 0.00 C ATOM 1192 CG2 ILE A 76 1.161 -0.203 0.844 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.466 0.515 -0.708 1.00 0.00 C ATOM 0 H ILE A 76 3.821 2.711 0.783 1.00 0.00 H new ATOM 0 HA ILE A 76 1.199 2.387 -0.289 1.00 0.00 H new ATOM 0 HB ILE A 76 3.055 0.646 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.607 -0.467 -1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.619 1.250 -1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.542 -1.222 0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.782 -0.019 1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.355 -0.072 0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.904 0.312 -1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.797 1.493 -0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.785 -0.250 -0.001 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.428 2.377 1.547 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.421 2.603 2.584 1.00 0.00 C ATOM 1207 C PHE A 77 -2.717 1.852 2.274 1.00 0.00 C ATOM 1208 O PHE A 77 -3.490 2.269 1.413 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.709 4.105 2.607 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.821 4.894 3.571 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -1.048 4.833 4.911 1.00 0.00 C ATOM 1212 CD2 PHE A 77 0.196 5.658 3.088 1.00 0.00 C ATOM 1213 CE1 PHE A 77 -0.223 5.565 5.805 1.00 0.00 C ATOM 1214 CE2 PHE A 77 1.021 6.390 3.983 1.00 0.00 C ATOM 1215 CZ PHE A 77 0.794 6.328 5.322 1.00 0.00 C ATOM 0 H PHE A 77 -0.812 2.127 0.636 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.046 2.246 3.543 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.580 4.505 1.601 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.753 4.260 2.881 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.856 4.228 5.295 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.376 5.708 2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.403 5.516 6.869 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.829 6.996 3.600 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.421 6.885 6.002 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.915 0.756 2.993 1.00 0.00 N ATOM 1226 CA ASN A 78 -4.104 -0.057 2.806 1.00 0.00 C ATOM 1227 C ASN A 78 -5.279 0.588 3.543 1.00 0.00 C ATOM 1228 O ASN A 78 -5.524 0.288 4.711 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.904 -1.464 3.374 1.00 0.00 C ATOM 1230 CG ASN A 78 -5.047 -2.391 2.956 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -6.218 -2.089 3.117 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.643 -3.535 2.411 1.00 0.00 N ATOM 0 H ASN A 78 -2.271 0.413 3.706 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.301 -0.125 1.736 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.955 -1.870 3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.848 -1.417 4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.330 -4.222 2.099 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.647 -3.726 2.305 1.00 0.00 H new ATOM 1239 N GLY A 79 -5.974 1.463 2.832 1.00 0.00 N ATOM 1240 CA GLY A 79 -7.118 2.153 3.404 1.00 0.00 C ATOM 1241 C GLY A 79 -6.693 3.040 4.576 1.00 0.00 C ATOM 1242 O GLY A 79 -6.968 2.721 5.732 1.00 0.00 O ATOM 0 H GLY A 79 -5.767 1.710 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.600 2.761 2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.855 1.424 3.743 1.00 0.00 H new ATOM 1246 N ASP A 80 -6.028 4.135 4.238 1.00 0.00 N ATOM 1247 CA ASP A 80 -5.562 5.070 5.248 1.00 0.00 C ATOM 1248 C ASP A 80 -4.831 4.301 6.350 1.00 0.00 C ATOM 1249 O ASP A 80 -4.719 4.780 7.477 1.00 0.00 O ATOM 1250 CB ASP A 80 -6.733 5.816 5.889 1.00 0.00 C ATOM 1251 CG ASP A 80 -7.688 6.491 4.903 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -8.544 5.764 4.354 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -7.541 7.719 4.719 1.00 0.00 O ATOM 0 H ASP A 80 -5.801 4.396 3.278 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.899 5.787 4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.301 5.114 6.499 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.335 6.574 6.563 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.353 3.120 5.986 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.636 2.280 6.930 1.00 0.00 C ATOM 1260 C ARG A 81 -2.154 2.207 6.557 1.00 0.00 C ATOM 1261 O ARG A 81 -1.795 1.619 5.538 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.217 0.865 6.960 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.932 0.183 8.300 1.00 0.00 C ATOM 1264 CD ARG A 81 -4.912 -0.964 8.551 1.00 0.00 C ATOM 1265 NE ARG A 81 -5.292 -1.002 9.981 1.00 0.00 N ATOM 1266 CZ ARG A 81 -4.436 -1.266 10.978 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -3.148 -1.518 10.707 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -4.869 -1.280 12.246 1.00 0.00 N ATOM 0 H ARG A 81 -4.448 2.725 5.050 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.744 2.726 7.919 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.293 0.906 6.791 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.789 0.275 6.149 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.911 -0.198 8.308 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.006 0.913 9.106 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.801 -0.835 7.933 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.457 -1.911 8.262 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.265 -0.816 10.223 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.819 -1.509 9.742 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.497 -1.719 11.466 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.850 -1.090 12.452 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.218 -1.481 13.005 1.00 0.00 H new ATOM 1282 N TYR A 82 -1.333 2.813 7.402 1.00 0.00 N ATOM 1283 CA TYR A 82 0.102 2.825 7.173 1.00 0.00 C ATOM 1284 C TYR A 82 0.661 1.401 7.125 1.00 0.00 C ATOM 1285 O TYR A 82 0.532 0.647 8.088 1.00 0.00 O ATOM 1286 CB TYR A 82 0.713 3.560 8.368 1.00 0.00 C ATOM 1287 CG TYR A 82 2.181 3.947 8.175 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.627 4.370 6.940 1.00 0.00 C ATOM 1289 CD2 TYR A 82 3.059 3.872 9.237 1.00 0.00 C ATOM 1290 CE1 TYR A 82 4.008 4.734 6.759 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.440 4.236 9.056 1.00 0.00 C ATOM 1292 CZ TYR A 82 4.847 4.649 7.826 1.00 0.00 C ATOM 1293 OH TYR A 82 6.151 4.993 7.655 1.00 0.00 O ATOM 0 H TYR A 82 -1.634 3.299 8.246 1.00 0.00 H new ATOM 0 HA TYR A 82 0.336 3.305 6.223 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.133 4.462 8.563 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.627 2.929 9.252 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.940 4.428 6.109 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.710 3.540 10.204 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.370 5.067 5.797 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.137 4.182 9.879 1.00 0.00 H new ATOM 0 HH TYR A 82 6.298 5.268 6.726 1.00 0.00 H new ATOM 1303 N CYS A 83 1.269 1.077 5.994 1.00 0.00 N ATOM 1304 CA CYS A 83 1.848 -0.243 5.807 1.00 0.00 C ATOM 1305 C CYS A 83 3.371 -0.105 5.814 1.00 0.00 C ATOM 1306 O CYS A 83 4.049 -0.703 6.648 1.00 0.00 O ATOM 1307 CB CYS A 83 1.341 -0.907 4.526 1.00 0.00 C ATOM 1308 SG CYS A 83 -0.051 -2.032 4.912 1.00 0.00 S ATOM 0 H CYS A 83 1.374 1.705 5.197 1.00 0.00 H new ATOM 0 HA CYS A 83 1.540 -0.897 6.623 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.018 -0.146 3.816 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.149 -1.464 4.051 1.00 0.00 H new ATOM 0 HG CYS A 83 0.313 -3.262 4.700 1.00 0.00 H new ATOM 1314 N GLY A 84 3.866 0.688 4.874 1.00 0.00 N ATOM 1315 CA GLY A 84 5.297 0.913 4.761 1.00 0.00 C ATOM 1316 C GLY A 84 5.658 1.466 3.381 1.00 0.00 C ATOM 1317 O GLY A 84 4.899 1.306 2.426 1.00 0.00 O ATOM 0 H GLY A 84 3.301 1.183 4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.621 1.611 5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.830 -0.022 4.933 1.00 0.00 H new ATOM 1321 N ASP A 85 6.817 2.105 3.319 1.00 0.00 N ATOM 1322 CA ASP A 85 7.288 2.682 2.072 1.00 0.00 C ATOM 1323 C ASP A 85 7.977 1.598 1.241 1.00 0.00 C ATOM 1324 O ASP A 85 7.899 0.415 1.570 1.00 0.00 O ATOM 1325 CB ASP A 85 8.303 3.797 2.330 1.00 0.00 C ATOM 1326 CG ASP A 85 9.671 3.325 2.825 1.00 0.00 C ATOM 1327 OD1 ASP A 85 9.691 2.651 3.878 1.00 0.00 O ATOM 1328 OD2 ASP A 85 10.665 3.648 2.141 1.00 0.00 O ATOM 0 H ASP A 85 7.444 2.236 4.113 1.00 0.00 H new ATOM 0 HA ASP A 85 6.427 3.093 1.544 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.442 4.361 1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.885 4.485 3.065 1.00 0.00 H new ATOM 1333 N TYR A 86 8.637 2.040 0.181 1.00 0.00 N ATOM 1334 CA TYR A 86 9.340 1.122 -0.700 1.00 0.00 C ATOM 1335 C TYR A 86 10.243 0.180 0.099 1.00 0.00 C ATOM 1336 O TYR A 86 10.301 -1.016 -0.181 1.00 0.00 O ATOM 1337 CB TYR A 86 10.208 1.992 -1.610 1.00 0.00 C ATOM 1338 CG TYR A 86 11.313 1.223 -2.337 1.00 0.00 C ATOM 1339 CD1 TYR A 86 11.042 0.597 -3.537 1.00 0.00 C ATOM 1340 CD2 TYR A 86 12.580 1.156 -1.794 1.00 0.00 C ATOM 1341 CE1 TYR A 86 12.082 -0.127 -4.221 1.00 0.00 C ATOM 1342 CE2 TYR A 86 13.619 0.432 -2.479 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.319 -0.174 -3.659 1.00 0.00 C ATOM 1344 OH TYR A 86 14.301 -0.857 -4.305 1.00 0.00 O ATOM 0 H TYR A 86 8.700 3.022 -0.088 1.00 0.00 H new ATOM 0 HA TYR A 86 8.633 0.509 -1.259 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.570 2.476 -2.349 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.662 2.783 -1.014 1.00 0.00 H new ATOM 0 HD1 TYR A 86 10.051 0.650 -3.963 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.792 1.647 -0.855 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.884 -0.622 -5.160 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.615 0.371 -2.065 1.00 0.00 H new ATOM 0 HH TYR A 86 14.422 -1.733 -3.883 1.00 0.00 H new ATOM 1354 N ASP A 87 10.926 0.755 1.078 1.00 0.00 N ATOM 1355 CA ASP A 87 11.824 -0.018 1.919 1.00 0.00 C ATOM 1356 C ASP A 87 11.086 -1.250 2.447 1.00 0.00 C ATOM 1357 O ASP A 87 11.532 -2.379 2.245 1.00 0.00 O ATOM 1358 CB ASP A 87 12.295 0.802 3.121 1.00 0.00 C ATOM 1359 CG ASP A 87 13.562 0.282 3.802 1.00 0.00 C ATOM 1360 OD1 ASP A 87 13.986 -0.836 3.435 1.00 0.00 O ATOM 1361 OD2 ASP A 87 14.080 1.013 4.674 1.00 0.00 O ATOM 0 H ASP A 87 10.875 1.748 1.308 1.00 0.00 H new ATOM 0 HA ASP A 87 12.687 -0.304 1.318 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.470 1.828 2.796 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.492 0.834 3.857 1.00 0.00 H new ATOM 1366 N SER A 88 9.970 -0.992 3.113 1.00 0.00 N ATOM 1367 CA SER A 88 9.167 -2.066 3.671 1.00 0.00 C ATOM 1368 C SER A 88 8.785 -3.060 2.572 1.00 0.00 C ATOM 1369 O SER A 88 9.018 -4.260 2.707 1.00 0.00 O ATOM 1370 CB SER A 88 7.911 -1.518 4.351 1.00 0.00 C ATOM 1371 OG SER A 88 7.870 -1.843 5.738 1.00 0.00 O ATOM 0 H SER A 88 9.603 -0.055 3.279 1.00 0.00 H new ATOM 0 HA SER A 88 9.761 -2.580 4.426 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.877 -0.435 4.231 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.026 -1.921 3.858 1.00 0.00 H new ATOM 0 HG SER A 88 7.054 -1.474 6.136 1.00 0.00 H new ATOM 1377 N PHE A 89 8.203 -2.523 1.509 1.00 0.00 N ATOM 1378 CA PHE A 89 7.787 -3.347 0.388 1.00 0.00 C ATOM 1379 C PHE A 89 8.887 -4.336 -0.004 1.00 0.00 C ATOM 1380 O PHE A 89 8.662 -5.545 -0.021 1.00 0.00 O ATOM 1381 CB PHE A 89 7.523 -2.404 -0.788 1.00 0.00 C ATOM 1382 CG PHE A 89 7.083 -3.114 -2.069 1.00 0.00 C ATOM 1383 CD1 PHE A 89 5.880 -3.746 -2.118 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.896 -3.114 -3.160 1.00 0.00 C ATOM 1385 CE1 PHE A 89 5.471 -4.405 -3.307 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.487 -3.773 -4.349 1.00 0.00 C ATOM 1387 CZ PHE A 89 6.284 -4.405 -4.398 1.00 0.00 C ATOM 0 H PHE A 89 8.010 -1.527 1.401 1.00 0.00 H new ATOM 0 HA PHE A 89 6.900 -3.920 0.657 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.754 -1.687 -0.500 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.429 -1.834 -0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.235 -3.747 -1.252 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.852 -2.613 -3.121 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.515 -4.906 -3.346 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.132 -3.772 -5.215 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.974 -4.907 -5.303 1.00 0.00 H new ATOM 1397 N PHE A 90 10.052 -3.785 -0.310 1.00 0.00 N ATOM 1398 CA PHE A 90 11.187 -4.604 -0.700 1.00 0.00 C ATOM 1399 C PHE A 90 11.496 -5.657 0.365 1.00 0.00 C ATOM 1400 O PHE A 90 11.559 -6.849 0.066 1.00 0.00 O ATOM 1401 CB PHE A 90 12.389 -3.666 -0.837 1.00 0.00 C ATOM 1402 CG PHE A 90 13.529 -4.236 -1.683 1.00 0.00 C ATOM 1403 CD1 PHE A 90 14.202 -5.341 -1.262 1.00 0.00 C ATOM 1404 CD2 PHE A 90 13.871 -3.638 -2.855 1.00 0.00 C ATOM 1405 CE1 PHE A 90 15.261 -5.869 -2.047 1.00 0.00 C ATOM 1406 CE2 PHE A 90 14.930 -4.166 -3.640 1.00 0.00 C ATOM 1407 CZ PHE A 90 15.602 -5.271 -3.219 1.00 0.00 C ATOM 0 H PHE A 90 10.235 -2.782 -0.296 1.00 0.00 H new ATOM 0 HA PHE A 90 10.967 -5.124 -1.633 1.00 0.00 H new ATOM 0 HB2 PHE A 90 12.056 -2.727 -1.280 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.770 -3.432 0.157 1.00 0.00 H new ATOM 0 HD1 PHE A 90 13.931 -5.816 -0.331 1.00 0.00 H new ATOM 0 HD2 PHE A 90 13.337 -2.761 -3.189 1.00 0.00 H new ATOM 0 HE1 PHE A 90 15.796 -6.746 -1.713 1.00 0.00 H new ATOM 0 HE2 PHE A 90 15.202 -3.690 -4.571 1.00 0.00 H new ATOM 0 HZ PHE A 90 16.407 -5.673 -3.816 1.00 0.00 H new ATOM 1417 N GLU A 91 11.681 -5.180 1.588 1.00 0.00 N ATOM 1418 CA GLU A 91 11.982 -6.066 2.699 1.00 0.00 C ATOM 1419 C GLU A 91 11.040 -7.272 2.687 1.00 0.00 C ATOM 1420 O GLU A 91 11.478 -8.408 2.857 1.00 0.00 O ATOM 1421 CB GLU A 91 11.900 -5.320 4.033 1.00 0.00 C ATOM 1422 CG GLU A 91 13.237 -5.375 4.774 1.00 0.00 C ATOM 1423 CD GLU A 91 13.070 -4.957 6.237 1.00 0.00 C ATOM 1424 OE1 GLU A 91 12.601 -3.819 6.452 1.00 0.00 O ATOM 1425 OE2 GLU A 91 13.415 -5.786 7.106 1.00 0.00 O ATOM 0 H GLU A 91 11.628 -4.191 1.833 1.00 0.00 H new ATOM 0 HA GLU A 91 13.004 -6.427 2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.620 -4.281 3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.118 -5.760 4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.643 -6.385 4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.956 -4.718 4.284 1.00 0.00 H new ATOM 1432 N SER A 92 9.763 -6.983 2.484 1.00 0.00 N ATOM 1433 CA SER A 92 8.755 -8.029 2.448 1.00 0.00 C ATOM 1434 C SER A 92 8.856 -8.807 1.134 1.00 0.00 C ATOM 1435 O SER A 92 8.511 -9.986 1.079 1.00 0.00 O ATOM 1436 CB SER A 92 7.350 -7.447 2.614 1.00 0.00 C ATOM 1437 OG SER A 92 6.938 -7.426 3.978 1.00 0.00 O ATOM 0 H SER A 92 9.403 -6.039 2.343 1.00 0.00 H new ATOM 0 HA SER A 92 8.937 -8.708 3.281 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.328 -6.434 2.213 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.642 -8.036 2.031 1.00 0.00 H new ATOM 0 HG SER A 92 6.716 -8.336 4.267 1.00 0.00 H new ATOM 1443 N LYS A 93 9.330 -8.115 0.109 1.00 0.00 N ATOM 1444 CA LYS A 93 9.481 -8.726 -1.201 1.00 0.00 C ATOM 1445 C LYS A 93 10.437 -9.916 -1.097 1.00 0.00 C ATOM 1446 O LYS A 93 10.152 -10.993 -1.619 1.00 0.00 O ATOM 1447 CB LYS A 93 9.910 -7.681 -2.233 1.00 0.00 C ATOM 1448 CG LYS A 93 9.155 -7.870 -3.551 1.00 0.00 C ATOM 1449 CD LYS A 93 8.860 -6.523 -4.212 1.00 0.00 C ATOM 1450 CE LYS A 93 10.132 -5.682 -4.335 1.00 0.00 C ATOM 1451 NZ LYS A 93 10.396 -5.346 -5.752 1.00 0.00 N ATOM 0 H LYS A 93 9.615 -7.137 0.159 1.00 0.00 H new ATOM 0 HA LYS A 93 8.525 -9.114 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.723 -6.681 -1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.983 -7.758 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.745 -8.489 -4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.221 -8.401 -3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.430 -6.685 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.117 -5.982 -3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.028 -4.767 -3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.979 -6.230 -3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.717 -4.359 -5.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.133 -5.976 -6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.524 -5.466 -6.306 1.00 0.00 H new ATOM 1465 N GLU A 94 11.551 -9.682 -0.419 1.00 0.00 N ATOM 1466 CA GLU A 94 12.550 -10.722 -0.240 1.00 0.00 C ATOM 1467 C GLU A 94 11.940 -11.926 0.480 1.00 0.00 C ATOM 1468 O GLU A 94 12.375 -13.059 0.281 1.00 0.00 O ATOM 1469 CB GLU A 94 13.767 -10.188 0.519 1.00 0.00 C ATOM 1470 CG GLU A 94 14.545 -9.182 -0.331 1.00 0.00 C ATOM 1471 CD GLU A 94 16.021 -9.150 0.070 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.330 -8.425 1.041 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.807 -9.852 -0.602 1.00 0.00 O ATOM 0 H GLU A 94 11.784 -8.788 0.013 1.00 0.00 H new ATOM 0 HA GLU A 94 12.890 -11.046 -1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.443 -9.713 1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.419 -11.016 0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.457 -9.446 -1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.111 -8.189 -0.214 1.00 0.00 H new ATOM 1480 N SER A 95 10.942 -11.640 1.303 1.00 0.00 N ATOM 1481 CA SER A 95 10.267 -12.685 2.054 1.00 0.00 C ATOM 1482 C SER A 95 8.945 -13.047 1.375 1.00 0.00 C ATOM 1483 O SER A 95 8.163 -13.831 1.910 1.00 0.00 O ATOM 1484 CB SER A 95 10.021 -12.253 3.500 1.00 0.00 C ATOM 1485 OG SER A 95 9.566 -13.333 4.310 1.00 0.00 O ATOM 0 H SER A 95 10.584 -10.699 1.466 1.00 0.00 H new ATOM 0 HA SER A 95 10.911 -13.564 2.071 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.942 -11.849 3.919 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.283 -11.451 3.518 1.00 0.00 H new ATOM 0 HG SER A 95 8.973 -13.909 3.784 1.00 0.00 H new ATOM 1491 N ASN A 96 8.735 -12.457 0.207 1.00 0.00 N ATOM 1492 CA ASN A 96 7.521 -12.708 -0.550 1.00 0.00 C ATOM 1493 C ASN A 96 6.308 -12.533 0.366 1.00 0.00 C ATOM 1494 O ASN A 96 5.495 -13.445 0.506 1.00 0.00 O ATOM 1495 CB ASN A 96 7.498 -14.136 -1.098 1.00 0.00 C ATOM 1496 CG ASN A 96 6.561 -14.247 -2.302 1.00 0.00 C ATOM 1497 OD1 ASN A 96 5.835 -13.327 -2.643 1.00 0.00 O ATOM 1498 ND2 ASN A 96 6.616 -15.421 -2.925 1.00 0.00 N ATOM 0 H ASN A 96 9.385 -11.806 -0.233 1.00 0.00 H new ATOM 0 HA ASN A 96 7.490 -12.003 -1.381 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.505 -14.434 -1.388 1.00 0.00 H new ATOM 0 HB3 ASN A 96 7.175 -14.824 -0.317 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.028 -15.594 -3.740 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.246 -16.149 -2.587 1.00 0.00 H new ATOM 1505 N THR A 97 6.226 -11.356 0.968 1.00 0.00 N ATOM 1506 CA THR A 97 5.126 -11.050 1.867 1.00 0.00 C ATOM 1507 C THR A 97 4.427 -9.759 1.436 1.00 0.00 C ATOM 1508 O THR A 97 3.510 -9.291 2.109 1.00 0.00 O ATOM 1509 CB THR A 97 5.682 -10.994 3.291 1.00 0.00 C ATOM 1510 OG1 THR A 97 6.880 -10.231 3.167 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.160 -12.360 3.788 1.00 0.00 C ATOM 0 H THR A 97 6.903 -10.602 0.851 1.00 0.00 H new ATOM 0 HA THR A 97 4.359 -11.824 1.832 1.00 0.00 H new ATOM 0 HB THR A 97 4.915 -10.611 3.964 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.354 -10.225 4.025 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.545 -12.264 4.803 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.326 -13.062 3.781 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.950 -12.729 3.134 1.00 0.00 H new ATOM 1519 N VAL A 98 4.888 -9.221 0.316 1.00 0.00 N ATOM 1520 CA VAL A 98 4.318 -7.993 -0.213 1.00 0.00 C ATOM 1521 C VAL A 98 2.811 -7.980 0.050 1.00 0.00 C ATOM 1522 O VAL A 98 2.292 -7.050 0.665 1.00 0.00 O ATOM 1523 CB VAL A 98 4.669 -7.850 -1.695 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.606 -7.033 -2.433 1.00 0.00 C ATOM 1525 CG2 VAL A 98 6.057 -7.233 -1.874 1.00 0.00 C ATOM 0 H VAL A 98 5.649 -9.612 -0.239 1.00 0.00 H new ATOM 0 HA VAL A 98 4.742 -7.126 0.293 1.00 0.00 H new ATOM 0 HB VAL A 98 4.689 -8.848 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.879 -6.946 -3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.640 -7.532 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.540 -6.038 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.281 -7.143 -2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.078 -6.245 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.803 -7.871 -1.399 1.00 0.00 H new ATOM 1535 N PHE A 99 2.151 -9.024 -0.431 1.00 0.00 N ATOM 1536 CA PHE A 99 0.713 -9.144 -0.256 1.00 0.00 C ATOM 1537 C PHE A 99 0.314 -8.885 1.198 1.00 0.00 C ATOM 1538 O PHE A 99 -0.591 -8.096 1.465 1.00 0.00 O ATOM 1539 CB PHE A 99 0.337 -10.580 -0.627 1.00 0.00 C ATOM 1540 CG PHE A 99 0.220 -10.824 -2.133 1.00 0.00 C ATOM 1541 CD1 PHE A 99 1.340 -11.033 -2.877 1.00 0.00 C ATOM 1542 CD2 PHE A 99 -1.003 -10.831 -2.728 1.00 0.00 C ATOM 1543 CE1 PHE A 99 1.232 -11.258 -4.274 1.00 0.00 C ATOM 1544 CE2 PHE A 99 -1.111 -11.057 -4.126 1.00 0.00 C ATOM 1545 CZ PHE A 99 0.009 -11.266 -4.870 1.00 0.00 C ATOM 0 H PHE A 99 2.585 -9.793 -0.941 1.00 0.00 H new ATOM 0 HA PHE A 99 0.199 -8.413 -0.881 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.085 -11.258 -0.217 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.613 -10.830 -0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.311 -11.028 -2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.892 -10.665 -2.138 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.121 -11.423 -4.864 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.082 -11.063 -4.599 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.073 -11.438 -5.933 1.00 0.00 H new ATOM 1555 N SER A 100 1.009 -9.563 2.099 1.00 0.00 N ATOM 1556 CA SER A 100 0.738 -9.415 3.519 1.00 0.00 C ATOM 1557 C SER A 100 1.180 -8.030 3.995 1.00 0.00 C ATOM 1558 O SER A 100 0.482 -7.386 4.776 1.00 0.00 O ATOM 1559 CB SER A 100 1.442 -10.505 4.330 1.00 0.00 C ATOM 1560 OG SER A 100 0.518 -11.310 5.057 1.00 0.00 O ATOM 0 H SER A 100 1.759 -10.216 1.874 1.00 0.00 H new ATOM 0 HA SER A 100 -0.336 -9.520 3.675 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.024 -11.137 3.659 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.145 -10.044 5.024 1.00 0.00 H new ATOM 0 HG SER A 100 1.006 -11.995 5.560 1.00 0.00 H new ATOM 1566 N PHE A 101 2.338 -7.613 3.504 1.00 0.00 N ATOM 1567 CA PHE A 101 2.882 -6.316 3.870 1.00 0.00 C ATOM 1568 C PHE A 101 1.857 -5.205 3.634 1.00 0.00 C ATOM 1569 O PHE A 101 1.779 -4.252 4.408 1.00 0.00 O ATOM 1570 CB PHE A 101 4.097 -6.071 2.972 1.00 0.00 C ATOM 1571 CG PHE A 101 4.402 -4.592 2.728 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.468 -3.729 3.778 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.607 -4.140 1.462 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.752 -2.356 3.551 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.891 -2.767 1.236 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.957 -1.904 2.285 1.00 0.00 C ATOM 0 H PHE A 101 2.914 -8.150 2.856 1.00 0.00 H new ATOM 0 HA PHE A 101 3.149 -6.309 4.927 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.970 -6.542 3.423 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.931 -6.560 2.012 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.305 -4.088 4.783 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.554 -4.825 0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.805 -1.671 4.384 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.055 -2.408 0.231 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.172 -0.860 2.113 1.00 0.00 H new ATOM 1586 N LEU A 102 1.095 -5.365 2.562 1.00 0.00 N ATOM 1587 CA LEU A 102 0.077 -4.388 2.215 1.00 0.00 C ATOM 1588 C LEU A 102 -1.216 -4.715 2.965 1.00 0.00 C ATOM 1589 O LEU A 102 -2.000 -3.820 3.277 1.00 0.00 O ATOM 1590 CB LEU A 102 -0.096 -4.310 0.697 1.00 0.00 C ATOM 1591 CG LEU A 102 1.186 -4.424 -0.131 1.00 0.00 C ATOM 1592 CD1 LEU A 102 0.973 -5.323 -1.351 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.711 -3.042 -0.522 1.00 0.00 C ATOM 0 H LEU A 102 1.162 -6.157 1.922 1.00 0.00 H new ATOM 0 HA LEU A 102 0.385 -3.391 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.777 -5.103 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.579 -3.363 0.454 1.00 0.00 H new ATOM 0 HG LEU A 102 1.950 -4.896 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.899 -5.387 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.680 -6.320 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.188 -4.903 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.622 -3.152 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.958 -2.521 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.927 -2.467 0.378 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.397 -6.000 3.234 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.581 -6.456 3.941 1.00 0.00 C ATOM 1607 C GLY A 103 -3.546 -7.170 2.992 1.00 0.00 C ATOM 1608 O GLY A 103 -4.756 -6.960 3.058 1.00 0.00 O ATOM 0 H GLY A 103 -0.743 -6.739 2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.291 -7.131 4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.083 -5.606 4.404 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.974 -7.999 2.132 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.768 -8.745 1.170 1.00 0.00 C ATOM 1614 C LEU A 104 -3.776 -10.225 1.561 1.00 0.00 C ATOM 1615 O LEU A 104 -3.386 -11.081 0.769 1.00 0.00 O ATOM 1616 CB LEU A 104 -3.269 -8.487 -0.252 1.00 0.00 C ATOM 1617 CG LEU A 104 -2.972 -7.028 -0.605 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -2.260 -6.925 -1.955 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.247 -6.184 -0.563 1.00 0.00 C ATOM 0 H LEU A 104 -1.970 -8.171 2.081 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.804 -8.405 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.361 -9.070 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.015 -8.865 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.294 -6.625 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.061 -5.878 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.319 -7.473 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.893 -7.351 -2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.008 -5.151 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.968 -6.577 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.675 -6.221 0.439 1.00 0.00 H new