USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 719 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 85 LYS NZ :NH3+ 168:sc= 0.432 (180deg=0) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= -0.0729 USER MOD Set 2.1: A 14 HIS : no HD1:sc= -0.889! C(o=-5.1!,f=-26!) USER MOD Set 2.2: A 49 SER OG : rot 64:sc= -1.73! USER MOD Set 2.3: A 86 SER OG : rot -123:sc= -0.296 USER MOD Set 2.4: A 91 HIS : no HE2:sc= -2.14! C(o=-5.1!,f=-28!) USER MOD Single : A 9 LYS NZ :NH3+ 145:sc= -0.34 (180deg=-2.13!) USER MOD Single : A 11 LYS NZ :NH3+ -116:sc= 0.554 (180deg=-2.09!) USER MOD Single : A 12 CYS SG : rot -158:sc= -5.53! USER MOD Single : A 13 SER OG : rot 180:sc= -0.0518 USER MOD Single : A 18 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0145) USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= 0.698 (180deg=-1.16!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 27 GLN : amide:sc= -4.38! C(o=-4.4!,f=-3.4!) USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= -0.0444 (180deg=-0.576) USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= -0.0104 (180deg=-0.247) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= 1.56 (180deg=0.986) USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= 0.209 (180deg=-0.672!) USER MOD Single : A 44 SER OG : rot 67:sc= -3.05! USER MOD Single : A 51 LYS NZ :NH3+ 163:sc= -0.0386 (180deg=-0.453) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -0.469 (180deg=-1.15) USER MOD Single : A 64 MET CE :methyl -112:sc= -4.7! (180deg=-7.61!) USER MOD Single : A 66 LYS NZ :NH3+ 140:sc= -4.08 (180deg=-7.63!) USER MOD Single : A 76 GLN : amide:sc= -3.73! C(o=-3.7!,f=-3.8!) USER MOD Single : A 81 SER OG : rot 85:sc= 0.0742 USER MOD Single : A 94 LYS NZ :NH3+ 171:sc= 0.098 (180deg=-0.517) USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 9 -12.446 8.064 -1.447 1.00 0.00 N ATOM 97 CA LYS A 9 -11.206 7.770 -0.773 1.00 0.00 C ATOM 98 C LYS A 9 -10.563 6.566 -1.424 1.00 0.00 C ATOM 99 O LYS A 9 -11.156 5.942 -2.317 1.00 0.00 O ATOM 100 CB LYS A 9 -11.534 7.451 0.678 1.00 0.00 C ATOM 101 CG LYS A 9 -12.238 8.670 1.248 1.00 0.00 C ATOM 102 CD LYS A 9 -12.698 8.410 2.667 1.00 0.00 C ATOM 103 CE LYS A 9 -13.807 9.404 3.009 1.00 0.00 C ATOM 104 NZ LYS A 9 -14.886 9.322 1.978 1.00 0.00 N ATOM 0 HA LYS A 9 -10.520 8.615 -0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.172 6.570 0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.626 7.231 1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.564 9.526 1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.094 8.926 0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.063 7.388 2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.865 8.519 3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.215 9.185 3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.403 10.416 3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.810 9.478 2.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.728 10.050 1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.872 8.381 1.534 1.00 0.00 H new ATOM 118 N ILE A 10 -9.398 6.203 -0.960 1.00 0.00 N ATOM 119 CA ILE A 10 -8.738 5.028 -1.461 1.00 0.00 C ATOM 120 C ILE A 10 -8.856 3.940 -0.426 1.00 0.00 C ATOM 121 O ILE A 10 -8.364 4.101 0.694 1.00 0.00 O ATOM 122 CB ILE A 10 -7.239 5.302 -1.682 1.00 0.00 C ATOM 123 CG1 ILE A 10 -7.023 6.659 -2.359 1.00 0.00 C ATOM 124 CG2 ILE A 10 -6.623 4.186 -2.545 1.00 0.00 C ATOM 125 CD1 ILE A 10 -7.715 6.681 -3.715 1.00 0.00 C ATOM 0 H ILE A 10 -8.886 6.705 -0.235 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.200 4.739 -2.405 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.749 5.321 -0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.416 7.456 -1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.957 6.847 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.563 4.387 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.742 3.228 -2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.128 4.152 -3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.556 7.650 -4.189 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.301 5.895 -4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.784 6.514 -3.581 1.00 0.00 H new ATOM 137 N LYS A 11 -9.403 2.801 -0.824 1.00 0.00 N ATOM 138 CA LYS A 11 -9.400 1.646 0.041 1.00 0.00 C ATOM 139 C LYS A 11 -8.241 0.784 -0.359 1.00 0.00 C ATOM 140 O LYS A 11 -8.232 0.213 -1.442 1.00 0.00 O ATOM 141 CB LYS A 11 -10.711 0.848 -0.057 1.00 0.00 C ATOM 142 CG LYS A 11 -11.860 1.656 0.554 1.00 0.00 C ATOM 143 CD LYS A 11 -13.182 0.900 0.359 1.00 0.00 C ATOM 144 CE LYS A 11 -13.160 -0.405 1.179 1.00 0.00 C ATOM 145 NZ LYS A 11 -14.435 -1.132 1.004 1.00 0.00 N ATOM 0 H LYS A 11 -9.848 2.659 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.310 1.973 1.077 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.930 0.619 -1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.607 -0.104 0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.677 1.821 1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.918 2.638 0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.019 1.524 0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.331 0.675 -0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.327 -1.032 0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.002 -0.179 2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.933 -1.184 1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.029 -0.630 0.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.242 -2.094 0.659 1.00 0.00 H new ATOM 159 N CYS A 12 -7.201 0.801 0.441 1.00 0.00 N ATOM 160 CA CYS A 12 -5.984 0.111 0.069 1.00 0.00 C ATOM 161 C CYS A 12 -5.259 -0.470 1.256 1.00 0.00 C ATOM 162 O CYS A 12 -5.534 -0.124 2.412 1.00 0.00 O ATOM 163 CB CYS A 12 -5.061 1.059 -0.714 1.00 0.00 C ATOM 164 SG CYS A 12 -3.623 1.512 0.296 1.00 0.00 S ATOM 0 H CYS A 12 -7.170 1.278 1.342 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.269 -0.728 -0.565 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.731 0.578 -1.635 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.609 1.956 -1.002 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.108 2.618 -0.154 1.00 0.00 H new ATOM 170 N SER A 13 -4.283 -1.297 0.948 1.00 0.00 N ATOM 171 CA SER A 13 -3.391 -1.863 1.924 1.00 0.00 C ATOM 172 C SER A 13 -1.966 -1.704 1.402 1.00 0.00 C ATOM 173 O SER A 13 -1.764 -1.717 0.190 1.00 0.00 O ATOM 174 CB SER A 13 -3.727 -3.339 2.138 1.00 0.00 C ATOM 175 OG SER A 13 -5.148 -3.491 2.228 1.00 0.00 O ATOM 0 H SER A 13 -4.088 -1.597 -0.007 1.00 0.00 H new ATOM 0 HA SER A 13 -3.493 -1.354 2.882 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.337 -3.936 1.314 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.252 -3.704 3.049 1.00 0.00 H new ATOM 0 HG SER A 13 -5.368 -4.436 2.364 1.00 0.00 H new ATOM 181 N HIS A 14 -0.993 -1.508 2.285 1.00 0.00 N ATOM 182 CA HIS A 14 0.383 -1.305 1.821 1.00 0.00 C ATOM 183 C HIS A 14 1.396 -2.124 2.591 1.00 0.00 C ATOM 184 O HIS A 14 1.229 -2.398 3.785 1.00 0.00 O ATOM 185 CB HIS A 14 0.772 0.192 1.809 1.00 0.00 C ATOM 186 CG HIS A 14 1.479 0.598 3.083 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.648 1.353 3.075 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.203 0.352 4.406 1.00 0.00 C ATOM 189 CE1 HIS A 14 3.026 1.525 4.357 1.00 0.00 C ATOM 190 NE2 HIS A 14 2.176 0.933 5.208 1.00 0.00 N ATOM 0 H HIS A 14 -1.119 -1.485 3.297 1.00 0.00 H new ATOM 0 HA HIS A 14 0.405 -1.667 0.793 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.418 0.393 0.955 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.124 0.800 1.681 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.355 -0.210 4.768 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.906 2.073 4.661 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.232 0.914 6.226 1.00 0.00 H new ATOM 198 N ILE A 15 2.466 -2.463 1.902 1.00 0.00 N ATOM 199 CA ILE A 15 3.590 -3.169 2.480 1.00 0.00 C ATOM 200 C ILE A 15 4.835 -2.333 2.237 1.00 0.00 C ATOM 201 O ILE A 15 5.082 -1.902 1.103 1.00 0.00 O ATOM 202 CB ILE A 15 3.720 -4.555 1.817 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.447 -5.356 2.099 1.00 0.00 C ATOM 204 CG2 ILE A 15 4.920 -5.321 2.393 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.433 -6.632 1.264 1.00 0.00 C ATOM 0 H ILE A 15 2.581 -2.253 0.911 1.00 0.00 H new ATOM 0 HA ILE A 15 3.452 -3.320 3.551 1.00 0.00 H new ATOM 0 HB ILE A 15 3.866 -4.421 0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.393 -5.605 3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.570 -4.752 1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.994 -6.296 1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.834 -4.756 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.785 -5.455 3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.523 -7.194 1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.465 -6.374 0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.301 -7.241 1.516 1.00 0.00 H new ATOM 217 N LEU A 16 5.574 -2.041 3.292 1.00 0.00 N ATOM 218 CA LEU A 16 6.758 -1.194 3.180 1.00 0.00 C ATOM 219 C LEU A 16 7.997 -2.061 3.164 1.00 0.00 C ATOM 220 O LEU A 16 8.229 -2.835 4.097 1.00 0.00 O ATOM 221 CB LEU A 16 6.817 -0.200 4.361 1.00 0.00 C ATOM 222 CG LEU A 16 7.983 0.798 4.182 1.00 0.00 C ATOM 223 CD1 LEU A 16 7.751 1.675 2.946 1.00 0.00 C ATOM 224 CD2 LEU A 16 8.079 1.699 5.418 1.00 0.00 C ATOM 0 H LEU A 16 5.380 -2.375 4.236 1.00 0.00 H new ATOM 0 HA LEU A 16 6.706 -0.624 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.875 0.344 4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.941 -0.746 5.296 1.00 0.00 H new ATOM 0 HG LEU A 16 8.907 0.235 4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.581 2.373 2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.685 1.044 2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.822 2.233 3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.901 2.403 5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.146 2.249 5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.258 1.087 6.302 1.00 0.00 H new ATOM 236 N VAL A 17 8.784 -1.933 2.113 1.00 0.00 N ATOM 237 CA VAL A 17 9.981 -2.724 1.944 1.00 0.00 C ATOM 238 C VAL A 17 11.175 -1.840 1.629 1.00 0.00 C ATOM 239 O VAL A 17 11.029 -0.705 1.166 1.00 0.00 O ATOM 240 CB VAL A 17 9.778 -3.765 0.829 1.00 0.00 C ATOM 241 CG1 VAL A 17 8.670 -4.744 1.232 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.376 -3.062 -0.474 1.00 0.00 C ATOM 0 H VAL A 17 8.608 -1.276 1.353 1.00 0.00 H new ATOM 0 HA VAL A 17 10.181 -3.245 2.880 1.00 0.00 H new ATOM 0 HB VAL A 17 10.711 -4.307 0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.529 -5.480 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.952 -5.253 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.740 -4.197 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.234 -3.805 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.446 -2.514 -0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.162 -2.367 -0.770 1.00 0.00 H new ATOM 252 N LYS A 18 12.343 -2.346 1.948 1.00 0.00 N ATOM 253 CA LYS A 18 13.591 -1.634 1.753 1.00 0.00 C ATOM 254 C LYS A 18 13.882 -1.401 0.275 1.00 0.00 C ATOM 255 O LYS A 18 14.571 -0.436 -0.076 1.00 0.00 O ATOM 256 CB LYS A 18 14.740 -2.441 2.362 1.00 0.00 C ATOM 257 CG LYS A 18 14.585 -2.500 3.881 1.00 0.00 C ATOM 258 CD LYS A 18 15.693 -3.384 4.456 1.00 0.00 C ATOM 259 CE LYS A 18 15.525 -3.514 5.969 1.00 0.00 C ATOM 260 NZ LYS A 18 15.994 -2.268 6.625 1.00 0.00 N ATOM 0 H LYS A 18 12.458 -3.274 2.355 1.00 0.00 H new ATOM 0 HA LYS A 18 13.500 -0.664 2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.747 -3.450 1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.695 -1.984 2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.643 -1.498 4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.607 -2.901 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.661 -4.370 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.668 -2.955 4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.479 -3.697 6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.093 -4.368 6.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.944 -2.379 7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.977 -2.077 6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.390 -1.473 6.333 1.00 0.00 H new ATOM 274 N LYS A 19 13.597 -2.410 -0.538 1.00 0.00 N ATOM 275 CA LYS A 19 14.059 -2.417 -1.928 1.00 0.00 C ATOM 276 C LYS A 19 12.907 -2.407 -2.911 1.00 0.00 C ATOM 277 O LYS A 19 11.882 -3.056 -2.694 1.00 0.00 O ATOM 278 CB LYS A 19 14.869 -3.679 -2.180 1.00 0.00 C ATOM 279 CG LYS A 19 16.064 -3.733 -1.229 1.00 0.00 C ATOM 280 CD LYS A 19 16.850 -5.017 -1.494 1.00 0.00 C ATOM 281 CE LYS A 19 17.946 -5.167 -0.444 1.00 0.00 C ATOM 282 NZ LYS A 19 17.320 -5.279 0.904 1.00 0.00 N ATOM 0 H LYS A 19 13.053 -3.229 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 19 14.656 -1.517 -2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.241 -4.558 -2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.215 -3.698 -3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 19 16.703 -2.862 -1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 19 15.724 -3.706 -0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 19 16.182 -5.878 -1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 19 17.288 -4.989 -2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.548 -6.051 -0.653 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.617 -4.309 -0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.990 -5.726 1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.073 -4.331 1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.459 -5.859 0.840 1.00 0.00 H new ATOM 296 N GLN A 20 13.163 -1.849 -4.078 1.00 0.00 N ATOM 297 CA GLN A 20 12.222 -1.942 -5.177 1.00 0.00 C ATOM 298 C GLN A 20 12.063 -3.408 -5.571 1.00 0.00 C ATOM 299 O GLN A 20 10.955 -3.890 -5.781 1.00 0.00 O ATOM 300 CB GLN A 20 12.740 -1.139 -6.370 1.00 0.00 C ATOM 301 CG GLN A 20 12.727 0.354 -6.030 1.00 0.00 C ATOM 302 CD GLN A 20 13.378 1.141 -7.156 1.00 0.00 C ATOM 303 OE1 GLN A 20 14.551 0.921 -7.463 1.00 0.00 O ATOM 304 NE2 GLN A 20 12.702 2.038 -7.788 1.00 0.00 N ATOM 0 H GLN A 20 14.013 -1.327 -4.290 1.00 0.00 H new ATOM 0 HA GLN A 20 11.257 -1.537 -4.871 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.752 -1.456 -6.622 1.00 0.00 H new ATOM 0 HB3 GLN A 20 12.119 -1.328 -7.246 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.702 0.694 -5.881 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.260 0.529 -5.095 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.731 2.219 -7.533 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.138 2.567 -8.543 1.00 0.00 H new ATOM 313 N GLY A 21 13.177 -4.132 -5.581 1.00 0.00 N ATOM 314 CA GLY A 21 13.158 -5.557 -5.892 1.00 0.00 C ATOM 315 C GLY A 21 12.311 -6.303 -4.887 1.00 0.00 C ATOM 316 O GLY A 21 11.514 -7.169 -5.254 1.00 0.00 O ATOM 0 H GLY A 21 14.103 -3.756 -5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.763 -5.712 -6.896 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.174 -5.951 -5.885 1.00 0.00 H new ATOM 320 N GLU A 22 12.384 -5.881 -3.641 1.00 0.00 N ATOM 321 CA GLU A 22 11.538 -6.439 -2.603 1.00 0.00 C ATOM 322 C GLU A 22 10.081 -6.105 -2.909 1.00 0.00 C ATOM 323 O GLU A 22 9.198 -6.963 -2.818 1.00 0.00 O ATOM 324 CB GLU A 22 11.939 -5.853 -1.246 1.00 0.00 C ATOM 325 CG GLU A 22 13.326 -6.382 -0.825 1.00 0.00 C ATOM 326 CD GLU A 22 13.841 -5.634 0.399 1.00 0.00 C ATOM 327 OE1 GLU A 22 13.124 -4.795 0.909 1.00 0.00 O ATOM 328 OE2 GLU A 22 14.956 -5.900 0.806 1.00 0.00 O ATOM 0 H GLU A 22 13.022 -5.152 -3.321 1.00 0.00 H new ATOM 0 HA GLU A 22 11.659 -7.522 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.959 -4.765 -1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.197 -6.119 -0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.263 -7.448 -0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.030 -6.268 -1.650 1.00 0.00 H new ATOM 335 N ALA A 23 9.849 -4.873 -3.355 1.00 0.00 N ATOM 336 CA ALA A 23 8.506 -4.458 -3.741 1.00 0.00 C ATOM 337 C ALA A 23 8.003 -5.324 -4.891 1.00 0.00 C ATOM 338 O ALA A 23 6.894 -5.846 -4.846 1.00 0.00 O ATOM 339 CB ALA A 23 8.485 -2.975 -4.137 1.00 0.00 C ATOM 0 H ALA A 23 10.565 -4.153 -3.457 1.00 0.00 H new ATOM 0 HA ALA A 23 7.844 -4.588 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.472 -2.689 -4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.810 -2.368 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.157 -2.814 -4.980 1.00 0.00 H new ATOM 345 N LEU A 24 8.867 -5.583 -5.853 1.00 0.00 N ATOM 346 CA LEU A 24 8.528 -6.507 -6.925 1.00 0.00 C ATOM 347 C LEU A 24 8.279 -7.885 -6.347 1.00 0.00 C ATOM 348 O LEU A 24 7.330 -8.578 -6.731 1.00 0.00 O ATOM 349 CB LEU A 24 9.648 -6.575 -7.979 1.00 0.00 C ATOM 350 CG LEU A 24 9.504 -5.447 -9.024 1.00 0.00 C ATOM 351 CD1 LEU A 24 8.421 -5.817 -10.041 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.141 -4.115 -8.357 1.00 0.00 C ATOM 0 H LEU A 24 9.799 -5.174 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 24 7.625 -6.145 -7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.618 -6.497 -7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.621 -7.543 -8.479 1.00 0.00 H new ATOM 0 HG LEU A 24 10.463 -5.331 -9.528 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.324 -5.018 -10.776 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.697 -6.743 -10.546 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.470 -5.954 -9.526 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.047 -3.341 -9.118 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.195 -4.220 -7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.923 -3.836 -7.651 1.00 0.00 H new ATOM 364 N ALA A 25 9.127 -8.273 -5.400 1.00 0.00 N ATOM 365 CA ALA A 25 9.008 -9.570 -4.764 1.00 0.00 C ATOM 366 C ALA A 25 7.633 -9.733 -4.152 1.00 0.00 C ATOM 367 O ALA A 25 6.955 -10.728 -4.396 1.00 0.00 O ATOM 368 CB ALA A 25 10.083 -9.744 -3.684 1.00 0.00 C ATOM 0 H ALA A 25 9.902 -7.704 -5.060 1.00 0.00 H new ATOM 0 HA ALA A 25 9.151 -10.336 -5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.976 -10.724 -3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.071 -9.663 -4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.967 -8.968 -2.927 1.00 0.00 H new ATOM 374 N VAL A 26 7.206 -8.744 -3.376 1.00 0.00 N ATOM 375 CA VAL A 26 5.895 -8.811 -2.766 1.00 0.00 C ATOM 376 C VAL A 26 4.799 -8.778 -3.830 1.00 0.00 C ATOM 377 O VAL A 26 3.839 -9.541 -3.766 1.00 0.00 O ATOM 378 CB VAL A 26 5.698 -7.719 -1.690 1.00 0.00 C ATOM 379 CG1 VAL A 26 6.958 -7.603 -0.829 1.00 0.00 C ATOM 380 CG2 VAL A 26 5.404 -6.368 -2.333 1.00 0.00 C ATOM 0 H VAL A 26 7.741 -7.903 -3.160 1.00 0.00 H new ATOM 0 HA VAL A 26 5.820 -9.766 -2.246 1.00 0.00 H new ATOM 0 HB VAL A 26 4.849 -8.005 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.812 -6.832 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.154 -8.558 -0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.806 -7.337 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.269 -5.616 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.237 -6.081 -2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.495 -6.439 -2.930 1.00 0.00 H new ATOM 390 N GLN A 27 4.982 -7.936 -4.844 1.00 0.00 N ATOM 391 CA GLN A 27 4.011 -7.839 -5.928 1.00 0.00 C ATOM 392 C GLN A 27 3.807 -9.201 -6.568 1.00 0.00 C ATOM 393 O GLN A 27 2.673 -9.667 -6.695 1.00 0.00 O ATOM 394 CB GLN A 27 4.503 -6.833 -6.973 1.00 0.00 C ATOM 395 CG GLN A 27 4.415 -5.410 -6.404 1.00 0.00 C ATOM 396 CD GLN A 27 5.139 -4.426 -7.312 1.00 0.00 C ATOM 397 OE1 GLN A 27 5.688 -4.813 -8.345 1.00 0.00 O ATOM 398 NE2 GLN A 27 5.167 -3.169 -7.001 1.00 0.00 N ATOM 0 H GLN A 27 5.787 -7.316 -4.937 1.00 0.00 H new ATOM 0 HA GLN A 27 3.058 -7.496 -5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.532 -7.060 -7.254 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.901 -6.911 -7.878 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.370 -5.117 -6.301 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.853 -5.383 -5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.714 -2.845 -6.147 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.642 -2.503 -7.610 1.00 0.00 H new ATOM 407 N GLU A 28 4.906 -9.889 -6.845 1.00 0.00 N ATOM 408 CA GLU A 28 4.843 -11.251 -7.359 1.00 0.00 C ATOM 409 C GLU A 28 4.301 -12.192 -6.293 1.00 0.00 C ATOM 410 O GLU A 28 3.507 -13.098 -6.578 1.00 0.00 O ATOM 411 CB GLU A 28 6.245 -11.715 -7.777 1.00 0.00 C ATOM 412 CG GLU A 28 6.732 -10.901 -8.983 1.00 0.00 C ATOM 413 CD GLU A 28 5.872 -11.189 -10.187 1.00 0.00 C ATOM 414 OE1 GLU A 28 5.702 -12.350 -10.501 1.00 0.00 O ATOM 415 OE2 GLU A 28 5.393 -10.254 -10.782 1.00 0.00 O ATOM 0 H GLU A 28 5.852 -9.527 -6.723 1.00 0.00 H new ATOM 0 HA GLU A 28 4.179 -11.267 -8.223 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.939 -11.597 -6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.226 -12.776 -8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.699 -9.837 -8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.771 -11.148 -9.202 1.00 0.00 H new ATOM 422 N ARG A 29 4.759 -11.998 -5.072 1.00 0.00 N ATOM 423 CA ARG A 29 4.391 -12.861 -3.965 1.00 0.00 C ATOM 424 C ARG A 29 2.888 -12.843 -3.704 1.00 0.00 C ATOM 425 O ARG A 29 2.291 -13.885 -3.438 1.00 0.00 O ATOM 426 CB ARG A 29 5.180 -12.521 -2.701 1.00 0.00 C ATOM 427 CG ARG A 29 4.812 -13.519 -1.608 1.00 0.00 C ATOM 428 CD ARG A 29 5.646 -13.267 -0.356 1.00 0.00 C ATOM 429 NE ARG A 29 5.188 -14.153 0.704 1.00 0.00 N ATOM 430 CZ ARG A 29 5.522 -13.985 1.972 1.00 0.00 C ATOM 431 NH1 ARG A 29 6.386 -13.067 2.312 1.00 0.00 N ATOM 432 NH2 ARG A 29 4.996 -14.751 2.872 1.00 0.00 N ATOM 0 H ARG A 29 5.394 -11.241 -4.819 1.00 0.00 H new ATOM 0 HA ARG A 29 4.655 -13.878 -4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.250 -12.560 -2.903 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.953 -11.505 -2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.752 -13.433 -1.370 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.977 -14.536 -1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.701 -13.443 -0.565 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.552 -12.227 -0.044 1.00 0.00 H new ATOM 0 HE ARG A 29 4.584 -14.937 0.458 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.808 -12.474 1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.639 -12.943 3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.331 -15.475 2.600 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.246 -14.631 3.854 1.00 0.00 H new ATOM 446 N LEU A 30 2.269 -11.683 -3.810 1.00 0.00 N ATOM 447 CA LEU A 30 0.829 -11.593 -3.581 1.00 0.00 C ATOM 448 C LEU A 30 0.117 -12.510 -4.552 1.00 0.00 C ATOM 449 O LEU A 30 -0.882 -13.152 -4.204 1.00 0.00 O ATOM 450 CB LEU A 30 0.310 -10.146 -3.755 1.00 0.00 C ATOM 451 CG LEU A 30 0.371 -9.347 -2.432 1.00 0.00 C ATOM 452 CD1 LEU A 30 -0.617 -9.918 -1.410 1.00 0.00 C ATOM 453 CD2 LEU A 30 1.782 -9.351 -1.847 1.00 0.00 C ATOM 0 H LEU A 30 2.725 -10.802 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 30 0.626 -11.895 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.903 -9.637 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.718 -10.170 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 30 0.095 -8.317 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.559 -9.342 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.629 -9.860 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.367 -10.959 -1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.792 -8.781 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.090 -10.377 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.472 -8.897 -2.558 1.00 0.00 H new ATOM 465 N LYS A 31 0.643 -12.592 -5.757 1.00 0.00 N ATOM 466 CA LYS A 31 0.065 -13.455 -6.768 1.00 0.00 C ATOM 467 C LYS A 31 0.239 -14.925 -6.377 1.00 0.00 C ATOM 468 O LYS A 31 -0.428 -15.802 -6.936 1.00 0.00 O ATOM 469 CB LYS A 31 0.711 -13.202 -8.135 1.00 0.00 C ATOM 470 CG LYS A 31 0.932 -11.695 -8.360 1.00 0.00 C ATOM 471 CD LYS A 31 -0.367 -10.913 -8.104 1.00 0.00 C ATOM 472 CE LYS A 31 -0.109 -9.413 -8.313 1.00 0.00 C ATOM 473 NZ LYS A 31 0.322 -9.168 -9.707 1.00 0.00 N ATOM 0 H LYS A 31 1.467 -12.073 -6.060 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.999 -13.228 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.664 -13.728 -8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.075 -13.603 -8.924 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.717 -11.334 -7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.273 -11.520 -9.381 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.150 -11.256 -8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.720 -11.095 -7.089 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.014 -8.845 -8.098 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.657 -9.066 -7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.155 -8.171 -9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.335 -9.383 -9.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.221 -9.778 -10.351 1.00 0.00 H new ATOM 487 N ALA A 32 1.098 -15.186 -5.383 1.00 0.00 N ATOM 488 CA ALA A 32 1.312 -16.545 -4.897 1.00 0.00 C ATOM 489 C ALA A 32 0.103 -17.015 -4.115 1.00 0.00 C ATOM 490 O ALA A 32 -0.047 -18.206 -3.833 1.00 0.00 O ATOM 491 CB ALA A 32 2.567 -16.632 -4.019 1.00 0.00 C ATOM 0 H ALA A 32 1.651 -14.474 -4.905 1.00 0.00 H new ATOM 0 HA ALA A 32 1.457 -17.192 -5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.698 -17.657 -3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.439 -16.330 -4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.457 -15.970 -3.160 1.00 0.00 H new ATOM 497 N GLY A 33 -0.779 -16.077 -3.794 1.00 0.00 N ATOM 498 CA GLY A 33 -2.006 -16.395 -3.082 1.00 0.00 C ATOM 499 C GLY A 33 -1.852 -16.250 -1.575 1.00 0.00 C ATOM 500 O GLY A 33 -2.702 -16.725 -0.814 1.00 0.00 O ATOM 0 H GLY A 33 -0.665 -15.088 -4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.805 -15.739 -3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.307 -17.416 -3.318 1.00 0.00 H new ATOM 504 N GLU A 34 -0.808 -15.557 -1.137 1.00 0.00 N ATOM 505 CA GLU A 34 -0.637 -15.311 0.292 1.00 0.00 C ATOM 506 C GLU A 34 -1.476 -14.118 0.726 1.00 0.00 C ATOM 507 O GLU A 34 -1.701 -13.190 -0.058 1.00 0.00 O ATOM 508 CB GLU A 34 0.834 -15.073 0.666 1.00 0.00 C ATOM 509 CG GLU A 34 1.647 -16.352 0.440 1.00 0.00 C ATOM 510 CD GLU A 34 2.987 -16.243 1.143 1.00 0.00 C ATOM 511 OE1 GLU A 34 2.995 -16.119 2.363 1.00 0.00 O ATOM 512 OE2 GLU A 34 3.991 -16.300 0.473 1.00 0.00 O ATOM 0 H GLU A 34 -0.081 -15.163 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.973 -16.206 0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.244 -14.261 0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.907 -14.766 1.709 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.097 -17.214 0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.798 -16.513 -0.627 1.00 0.00 H new ATOM 519 N LYS A 35 -1.960 -14.161 1.956 1.00 0.00 N ATOM 520 CA LYS A 35 -2.803 -13.102 2.481 1.00 0.00 C ATOM 521 C LYS A 35 -2.003 -11.811 2.609 1.00 0.00 C ATOM 522 O LYS A 35 -0.866 -11.819 3.089 1.00 0.00 O ATOM 523 CB LYS A 35 -3.373 -13.511 3.848 1.00 0.00 C ATOM 524 CG LYS A 35 -4.715 -12.810 4.095 1.00 0.00 C ATOM 525 CD LYS A 35 -5.346 -13.361 5.383 1.00 0.00 C ATOM 526 CE LYS A 35 -6.724 -12.726 5.603 1.00 0.00 C ATOM 527 NZ LYS A 35 -6.572 -11.275 5.874 1.00 0.00 N ATOM 0 H LYS A 35 -1.782 -14.922 2.612 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.630 -12.935 1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.507 -14.592 3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.668 -13.250 4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.566 -11.734 4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.384 -12.972 3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.442 -14.445 5.316 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.699 -13.150 6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.349 -12.877 4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.228 -13.210 6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.464 -10.897 6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.812 -11.129 6.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.333 -10.780 4.991 1.00 0.00 H new ATOM 541 N PHE A 36 -2.584 -10.713 2.152 1.00 0.00 N ATOM 542 CA PHE A 36 -1.887 -9.433 2.159 1.00 0.00 C ATOM 543 C PHE A 36 -1.477 -9.066 3.581 1.00 0.00 C ATOM 544 O PHE A 36 -0.338 -8.695 3.828 1.00 0.00 O ATOM 545 CB PHE A 36 -2.788 -8.336 1.576 1.00 0.00 C ATOM 546 CG PHE A 36 -2.000 -7.056 1.407 1.00 0.00 C ATOM 547 CD1 PHE A 36 -1.317 -6.813 0.208 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.952 -6.114 2.440 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.591 -5.631 0.042 1.00 0.00 C ATOM 550 CE2 PHE A 36 -1.223 -4.935 2.271 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.546 -4.692 1.071 1.00 0.00 C ATOM 0 H PHE A 36 -3.531 -10.680 1.773 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.992 -9.520 1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.189 -8.656 0.614 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.639 -8.165 2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.352 -7.541 -0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.477 -6.298 3.366 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.065 -5.445 -0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.182 -4.209 3.069 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.012 -3.776 0.942 1.00 0.00 H new ATOM 561 N GLY A 37 -2.399 -9.211 4.517 1.00 0.00 N ATOM 562 CA GLY A 37 -2.131 -8.896 5.915 1.00 0.00 C ATOM 563 C GLY A 37 -1.048 -9.790 6.478 1.00 0.00 C ATOM 564 O GLY A 37 -0.180 -9.346 7.261 1.00 0.00 O ATOM 0 H GLY A 37 -3.345 -9.546 4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.828 -7.853 6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.044 -9.014 6.499 1.00 0.00 H new ATOM 568 N LYS A 38 -1.050 -11.033 6.039 1.00 0.00 N ATOM 569 CA LYS A 38 -0.021 -11.964 6.425 1.00 0.00 C ATOM 570 C LYS A 38 1.316 -11.424 5.966 1.00 0.00 C ATOM 571 O LYS A 38 2.255 -11.279 6.757 1.00 0.00 O ATOM 572 CB LYS A 38 -0.309 -13.314 5.755 1.00 0.00 C ATOM 573 CG LYS A 38 0.758 -14.346 6.100 1.00 0.00 C ATOM 574 CD LYS A 38 0.400 -15.658 5.394 1.00 0.00 C ATOM 575 CE LYS A 38 1.432 -16.729 5.723 1.00 0.00 C ATOM 576 NZ LYS A 38 2.724 -16.380 5.077 1.00 0.00 N ATOM 0 H LYS A 38 -1.757 -11.418 5.413 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.001 -12.096 7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.286 -13.678 6.073 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.354 -13.183 4.674 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.741 -13.998 5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.808 -14.496 7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.591 -15.989 5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.359 -15.500 4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.561 -16.807 6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.088 -17.702 5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.343 -17.216 5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.550 -16.063 4.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.185 -15.616 5.612 1.00 0.00 H new ATOM 590 N LEU A 39 1.356 -11.012 4.723 1.00 0.00 N ATOM 591 CA LEU A 39 2.534 -10.407 4.156 1.00 0.00 C ATOM 592 C LEU A 39 2.859 -9.110 4.846 1.00 0.00 C ATOM 593 O LEU A 39 4.021 -8.787 5.039 1.00 0.00 O ATOM 594 CB LEU A 39 2.356 -10.150 2.666 1.00 0.00 C ATOM 595 CG LEU A 39 2.243 -11.472 1.868 1.00 0.00 C ATOM 596 CD1 LEU A 39 3.107 -11.372 0.629 1.00 0.00 C ATOM 597 CD2 LEU A 39 2.690 -12.689 2.695 1.00 0.00 C ATOM 0 H LEU A 39 0.571 -11.087 4.076 1.00 0.00 H new ATOM 0 HA LEU A 39 3.357 -11.107 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.461 -9.549 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.200 -9.570 2.293 1.00 0.00 H new ATOM 0 HG LEU A 39 1.195 -11.616 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.035 -12.298 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.765 -10.540 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.144 -11.206 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.593 -13.593 2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.730 -12.563 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.064 -12.775 3.583 1.00 0.00 H new ATOM 609 N ALA A 40 1.837 -8.330 5.158 1.00 0.00 N ATOM 610 CA ALA A 40 2.059 -7.035 5.743 1.00 0.00 C ATOM 611 C ALA A 40 2.871 -7.182 6.999 1.00 0.00 C ATOM 612 O ALA A 40 3.887 -6.515 7.170 1.00 0.00 O ATOM 613 CB ALA A 40 0.736 -6.356 6.052 1.00 0.00 C ATOM 0 H ALA A 40 0.857 -8.575 5.014 1.00 0.00 H new ATOM 0 HA ALA A 40 2.605 -6.415 5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.924 -5.377 6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.165 -6.235 5.131 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.168 -6.968 6.753 1.00 0.00 H new ATOM 619 N LYS A 41 2.467 -8.111 7.847 1.00 0.00 N ATOM 620 CA LYS A 41 3.228 -8.395 9.051 1.00 0.00 C ATOM 621 C LYS A 41 4.603 -8.959 8.709 1.00 0.00 C ATOM 622 O LYS A 41 5.596 -8.657 9.381 1.00 0.00 O ATOM 623 CB LYS A 41 2.474 -9.361 9.971 1.00 0.00 C ATOM 624 CG LYS A 41 1.235 -8.662 10.549 1.00 0.00 C ATOM 625 CD LYS A 41 0.501 -9.600 11.520 1.00 0.00 C ATOM 626 CE LYS A 41 -0.195 -10.739 10.764 1.00 0.00 C ATOM 627 NZ LYS A 41 -0.771 -10.240 9.482 1.00 0.00 N ATOM 0 H LYS A 41 1.626 -8.676 7.727 1.00 0.00 H new ATOM 0 HA LYS A 41 3.362 -7.452 9.582 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.176 -10.250 9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.126 -9.693 10.779 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.532 -7.750 11.067 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.565 -8.366 9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.210 -10.014 12.237 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.235 -9.034 12.091 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.518 -11.538 10.562 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.985 -11.165 11.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.457 -10.931 9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.249 -9.331 9.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.009 -10.109 8.787 1.00 0.00 H new ATOM 641 N GLU A 42 4.645 -9.843 7.721 1.00 0.00 N ATOM 642 CA GLU A 42 5.887 -10.524 7.375 1.00 0.00 C ATOM 643 C GLU A 42 6.907 -9.598 6.706 1.00 0.00 C ATOM 644 O GLU A 42 8.067 -9.533 7.122 1.00 0.00 O ATOM 645 CB GLU A 42 5.580 -11.692 6.424 1.00 0.00 C ATOM 646 CG GLU A 42 4.882 -12.831 7.177 1.00 0.00 C ATOM 647 CD GLU A 42 4.563 -13.978 6.232 1.00 0.00 C ATOM 648 OE1 GLU A 42 5.079 -13.981 5.136 1.00 0.00 O ATOM 649 OE2 GLU A 42 3.807 -14.840 6.612 1.00 0.00 O ATOM 0 H GLU A 42 3.842 -10.104 7.149 1.00 0.00 H new ATOM 0 HA GLU A 42 6.326 -10.879 8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.946 -11.346 5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.505 -12.057 5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.521 -13.185 7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.964 -12.463 7.635 1.00 0.00 H new ATOM 656 N LEU A 43 6.500 -8.994 5.624 1.00 0.00 N ATOM 657 CA LEU A 43 7.383 -8.193 4.788 1.00 0.00 C ATOM 658 C LEU A 43 7.681 -6.845 5.357 1.00 0.00 C ATOM 659 O LEU A 43 8.786 -6.323 5.190 1.00 0.00 O ATOM 660 CB LEU A 43 6.698 -7.977 3.455 1.00 0.00 C ATOM 661 CG LEU A 43 6.895 -9.188 2.575 1.00 0.00 C ATOM 662 CD1 LEU A 43 5.750 -9.261 1.573 1.00 0.00 C ATOM 663 CD2 LEU A 43 8.213 -9.012 1.827 1.00 0.00 C ATOM 0 H LEU A 43 5.539 -9.038 5.285 1.00 0.00 H new ATOM 0 HA LEU A 43 8.325 -8.736 4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.634 -7.797 3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.104 -7.091 2.966 1.00 0.00 H new ATOM 0 HG LEU A 43 6.914 -10.102 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.882 -10.133 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.804 -9.344 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.743 -8.359 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.383 -9.874 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.169 -8.107 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.030 -8.929 2.544 1.00 0.00 H new ATOM 675 N SER A 44 6.634 -6.178 5.722 1.00 0.00 N ATOM 676 CA SER A 44 6.703 -4.764 5.916 1.00 0.00 C ATOM 677 C SER A 44 7.683 -4.352 7.005 1.00 0.00 C ATOM 678 O SER A 44 7.670 -4.899 8.113 1.00 0.00 O ATOM 679 CB SER A 44 5.324 -4.230 6.220 1.00 0.00 C ATOM 680 OG SER A 44 4.376 -4.900 5.408 1.00 0.00 O ATOM 0 H SER A 44 5.717 -6.591 5.893 1.00 0.00 H new ATOM 0 HA SER A 44 7.080 -4.331 4.989 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.088 -4.378 7.274 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.287 -3.157 6.033 1.00 0.00 H new ATOM 0 HG SER A 44 4.326 -5.842 5.673 1.00 0.00 H new ATOM 686 N ILE A 45 8.415 -3.281 6.732 1.00 0.00 N ATOM 687 CA ILE A 45 9.272 -2.668 7.731 1.00 0.00 C ATOM 688 C ILE A 45 8.457 -1.648 8.522 1.00 0.00 C ATOM 689 O ILE A 45 8.914 -1.106 9.535 1.00 0.00 O ATOM 690 CB ILE A 45 10.518 -2.025 7.089 1.00 0.00 C ATOM 691 CG1 ILE A 45 10.104 -0.961 6.066 1.00 0.00 C ATOM 692 CG2 ILE A 45 11.347 -3.102 6.385 1.00 0.00 C ATOM 693 CD1 ILE A 45 11.349 -0.224 5.564 1.00 0.00 C ATOM 0 H ILE A 45 8.431 -2.819 5.823 1.00 0.00 H new ATOM 0 HA ILE A 45 9.639 -3.437 8.411 1.00 0.00 H new ATOM 0 HB ILE A 45 11.110 -1.554 7.874 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.583 -1.428 5.230 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.409 -0.255 6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.227 -2.646 5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.660 -3.852 7.111 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.745 -3.576 5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.055 0.533 4.837 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.851 0.256 6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.028 -0.935 5.094 1.00 0.00 H new ATOM 705 N ASP A 46 7.204 -1.468 8.084 1.00 0.00 N ATOM 706 CA ASP A 46 6.235 -0.635 8.783 1.00 0.00 C ATOM 707 C ASP A 46 5.474 -1.490 9.792 1.00 0.00 C ATOM 708 O ASP A 46 4.505 -2.181 9.439 1.00 0.00 O ATOM 709 CB ASP A 46 5.249 -0.012 7.770 1.00 0.00 C ATOM 710 CG ASP A 46 4.229 0.900 8.451 1.00 0.00 C ATOM 711 OD1 ASP A 46 4.099 0.848 9.658 1.00 0.00 O ATOM 712 OD2 ASP A 46 3.568 1.638 7.743 1.00 0.00 O ATOM 0 H ASP A 46 6.840 -1.899 7.234 1.00 0.00 H new ATOM 0 HA ASP A 46 6.755 0.168 9.306 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.805 0.558 7.026 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.726 -0.806 7.237 1.00 0.00 H new ATOM 717 N GLY A 47 5.920 -1.455 11.038 1.00 0.00 N ATOM 718 CA GLY A 47 5.305 -2.239 12.095 1.00 0.00 C ATOM 719 C GLY A 47 3.873 -1.808 12.316 1.00 0.00 C ATOM 720 O GLY A 47 2.976 -2.638 12.445 1.00 0.00 O ATOM 0 H GLY A 47 6.711 -0.888 11.342 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.335 -3.297 11.835 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.872 -2.122 13.019 1.00 0.00 H new ATOM 724 N GLY A 48 3.643 -0.510 12.288 1.00 0.00 N ATOM 725 CA GLY A 48 2.297 -0.003 12.451 1.00 0.00 C ATOM 726 C GLY A 48 1.400 -0.613 11.403 1.00 0.00 C ATOM 727 O GLY A 48 0.344 -1.160 11.719 1.00 0.00 O ATOM 0 H GLY A 48 4.360 0.203 12.156 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.925 -0.242 13.447 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.293 1.083 12.361 1.00 0.00 H new ATOM 731 N SER A 49 1.879 -0.643 10.178 1.00 0.00 N ATOM 732 CA SER A 49 1.166 -1.318 9.115 1.00 0.00 C ATOM 733 C SER A 49 1.073 -2.813 9.396 1.00 0.00 C ATOM 734 O SER A 49 0.056 -3.446 9.105 1.00 0.00 O ATOM 735 CB SER A 49 1.828 -1.064 7.767 1.00 0.00 C ATOM 736 OG SER A 49 1.591 0.287 7.385 1.00 0.00 O ATOM 0 H SER A 49 2.757 -0.209 9.894 1.00 0.00 H new ATOM 0 HA SER A 49 0.155 -0.912 9.075 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.899 -1.255 7.831 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.427 -1.744 7.016 1.00 0.00 H new ATOM 0 HG SER A 49 2.027 0.889 8.024 1.00 0.00 H new ATOM 742 N ALA A 50 2.105 -3.365 10.029 1.00 0.00 N ATOM 743 CA ALA A 50 2.097 -4.777 10.389 1.00 0.00 C ATOM 744 C ALA A 50 0.969 -5.043 11.359 1.00 0.00 C ATOM 745 O ALA A 50 0.211 -5.998 11.204 1.00 0.00 O ATOM 746 CB ALA A 50 3.435 -5.182 11.020 1.00 0.00 C ATOM 0 H ALA A 50 2.949 -2.861 10.300 1.00 0.00 H new ATOM 0 HA ALA A 50 1.950 -5.369 9.486 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.408 -6.240 11.282 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.241 -5.004 10.309 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.607 -4.590 11.919 1.00 0.00 H new ATOM 752 N LYS A 51 0.787 -4.126 12.283 1.00 0.00 N ATOM 753 CA LYS A 51 -0.300 -4.211 13.246 1.00 0.00 C ATOM 754 C LYS A 51 -1.644 -3.969 12.565 1.00 0.00 C ATOM 755 O LYS A 51 -2.706 -4.175 13.161 1.00 0.00 O ATOM 756 CB LYS A 51 -0.086 -3.207 14.386 1.00 0.00 C ATOM 757 CG LYS A 51 1.218 -3.529 15.145 1.00 0.00 C ATOM 758 CD LYS A 51 1.108 -4.897 15.850 1.00 0.00 C ATOM 759 CE LYS A 51 2.487 -5.310 16.386 1.00 0.00 C ATOM 760 NZ LYS A 51 3.047 -4.219 17.232 1.00 0.00 N ATOM 0 H LYS A 51 1.381 -3.304 12.392 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.307 -5.216 13.667 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.041 -2.195 13.984 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.932 -3.240 15.072 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.058 -3.538 14.450 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.420 -2.750 15.880 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.390 -4.840 16.668 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.737 -5.648 15.153 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.401 -6.227 16.969 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.161 -5.522 15.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.821 -4.595 17.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.411 -3.459 16.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.300 -3.840 17.849 1.00 0.00 H new ATOM 774 N ARG A 52 -1.590 -3.498 11.331 1.00 0.00 N ATOM 775 CA ARG A 52 -2.796 -3.230 10.552 1.00 0.00 C ATOM 776 C ARG A 52 -2.906 -4.178 9.372 1.00 0.00 C ATOM 777 O ARG A 52 -3.674 -3.927 8.438 1.00 0.00 O ATOM 778 CB ARG A 52 -2.823 -1.773 10.076 1.00 0.00 C ATOM 779 CG ARG A 52 -2.867 -0.843 11.290 1.00 0.00 C ATOM 780 CD ARG A 52 -4.226 -0.965 11.992 1.00 0.00 C ATOM 781 NE ARG A 52 -4.191 -0.275 13.271 1.00 0.00 N ATOM 782 CZ ARG A 52 -4.076 -0.947 14.419 1.00 0.00 C ATOM 783 NH1 ARG A 52 -3.905 -2.246 14.403 1.00 0.00 N ATOM 784 NH2 ARG A 52 -4.106 -0.306 15.553 1.00 0.00 N ATOM 0 H ARG A 52 -0.720 -3.291 10.841 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.656 -3.396 11.201 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.941 -1.560 9.472 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.693 -1.602 9.441 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.065 -1.098 11.983 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.701 0.188 10.976 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.009 -0.541 11.363 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.473 -2.016 12.143 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.256 0.743 13.292 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.860 -2.744 13.514 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.817 -2.760 15.280 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.217 0.708 15.563 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.018 -0.818 16.431 1.00 0.00 H new ATOM 798 N ASP A 53 -2.040 -5.185 9.341 1.00 0.00 N ATOM 799 CA ASP A 53 -1.969 -6.084 8.193 1.00 0.00 C ATOM 800 C ASP A 53 -1.784 -5.263 6.936 1.00 0.00 C ATOM 801 O ASP A 53 -2.334 -5.583 5.880 1.00 0.00 O ATOM 802 CB ASP A 53 -3.253 -6.926 8.057 1.00 0.00 C ATOM 803 CG ASP A 53 -3.293 -8.084 9.037 1.00 0.00 C ATOM 804 OD1 ASP A 53 -2.276 -8.386 9.621 1.00 0.00 O ATOM 805 OD2 ASP A 53 -4.339 -8.671 9.178 1.00 0.00 O ATOM 0 H ASP A 53 -1.382 -5.399 10.090 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.128 -6.762 8.340 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.122 -6.287 8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.325 -7.312 7.040 1.00 0.00 H new ATOM 810 N GLY A 54 -1.120 -4.134 7.084 1.00 0.00 N ATOM 811 CA GLY A 54 -0.944 -3.209 5.981 1.00 0.00 C ATOM 812 C GLY A 54 -2.288 -2.719 5.467 1.00 0.00 C ATOM 813 O GLY A 54 -2.348 -1.936 4.524 1.00 0.00 O ATOM 0 H GLY A 54 -0.692 -3.834 7.960 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.342 -2.360 6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.397 -3.698 5.174 1.00 0.00 H new ATOM 817 N SER A 55 -3.365 -3.170 6.099 1.00 0.00 N ATOM 818 CA SER A 55 -4.703 -2.794 5.688 1.00 0.00 C ATOM 819 C SER A 55 -5.019 -1.374 6.131 1.00 0.00 C ATOM 820 O SER A 55 -5.574 -1.149 7.208 1.00 0.00 O ATOM 821 CB SER A 55 -5.728 -3.784 6.250 1.00 0.00 C ATOM 822 OG SER A 55 -5.196 -5.121 6.185 1.00 0.00 O ATOM 0 H SER A 55 -3.332 -3.799 6.901 1.00 0.00 H new ATOM 0 HA SER A 55 -4.756 -2.826 4.600 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.968 -3.527 7.282 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.656 -3.723 5.682 1.00 0.00 H new ATOM 0 HG SER A 55 -5.853 -5.752 6.547 1.00 0.00 H new ATOM 828 N LEU A 56 -4.626 -0.429 5.310 1.00 0.00 N ATOM 829 CA LEU A 56 -4.826 0.980 5.591 1.00 0.00 C ATOM 830 C LEU A 56 -6.310 1.298 5.644 1.00 0.00 C ATOM 831 O LEU A 56 -6.754 2.111 6.456 1.00 0.00 O ATOM 832 CB LEU A 56 -4.149 1.814 4.510 1.00 0.00 C ATOM 833 CG LEU A 56 -2.631 1.629 4.612 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.965 2.210 3.376 1.00 0.00 C ATOM 835 CD2 LEU A 56 -2.097 2.337 5.867 1.00 0.00 C ATOM 0 H LEU A 56 -4.156 -0.613 4.424 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.386 1.219 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.500 1.508 3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.409 2.866 4.629 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.405 0.565 4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.885 2.078 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.334 1.696 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.197 3.273 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.018 2.200 5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.325 3.401 5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.569 1.913 6.753 1.00 0.00 H new ATOM 847 N GLY A 57 -7.063 0.700 4.737 1.00 0.00 N ATOM 848 CA GLY A 57 -8.495 0.952 4.655 1.00 0.00 C ATOM 849 C GLY A 57 -8.771 2.122 3.736 1.00 0.00 C ATOM 850 O GLY A 57 -8.011 2.360 2.794 1.00 0.00 O ATOM 0 H GLY A 57 -6.709 0.037 4.047 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.007 0.063 4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.892 1.160 5.649 1.00 0.00 H new ATOM 854 N TYR A 58 -9.842 2.862 4.012 1.00 0.00 N ATOM 855 CA TYR A 58 -10.194 4.025 3.202 1.00 0.00 C ATOM 856 C TYR A 58 -9.429 5.236 3.685 1.00 0.00 C ATOM 857 O TYR A 58 -9.504 5.581 4.867 1.00 0.00 O ATOM 858 CB TYR A 58 -11.711 4.370 3.292 1.00 0.00 C ATOM 859 CG TYR A 58 -12.488 3.353 4.106 1.00 0.00 C ATOM 860 CD1 TYR A 58 -12.297 3.275 5.494 1.00 0.00 C ATOM 861 CD2 TYR A 58 -13.412 2.507 3.482 1.00 0.00 C ATOM 862 CE1 TYR A 58 -13.025 2.353 6.249 1.00 0.00 C ATOM 863 CE2 TYR A 58 -14.141 1.584 4.238 1.00 0.00 C ATOM 864 CZ TYR A 58 -13.948 1.508 5.622 1.00 0.00 C ATOM 865 OH TYR A 58 -14.670 0.598 6.369 1.00 0.00 O ATOM 0 H TYR A 58 -10.479 2.678 4.787 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.944 3.775 2.171 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.830 5.357 3.739 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.129 4.423 2.287 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.587 3.928 5.979 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.562 2.567 2.414 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -12.876 2.292 7.317 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -14.852 0.931 3.755 1.00 0.00 H new ATOM 0 HH TYR A 58 -15.266 0.091 5.780 1.00 0.00 H new ATOM 875 N PHE A 59 -8.837 5.972 2.767 1.00 0.00 N ATOM 876 CA PHE A 59 -8.237 7.255 3.111 1.00 0.00 C ATOM 877 C PHE A 59 -8.434 8.248 1.983 1.00 0.00 C ATOM 878 O PHE A 59 -8.481 7.870 0.815 1.00 0.00 O ATOM 879 CB PHE A 59 -6.743 7.109 3.447 1.00 0.00 C ATOM 880 CG PHE A 59 -5.983 6.589 2.246 1.00 0.00 C ATOM 881 CD1 PHE A 59 -5.490 7.484 1.291 1.00 0.00 C ATOM 882 CD2 PHE A 59 -5.765 5.215 2.100 1.00 0.00 C ATOM 883 CE1 PHE A 59 -4.777 7.005 0.191 1.00 0.00 C ATOM 884 CE2 PHE A 59 -5.053 4.736 0.997 1.00 0.00 C ATOM 885 CZ PHE A 59 -4.558 5.633 0.041 1.00 0.00 C ATOM 0 H PHE A 59 -8.756 5.712 1.784 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.740 7.630 4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.336 8.073 3.754 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.617 6.428 4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.661 8.544 1.405 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.146 4.525 2.839 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.394 7.696 -0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.884 3.676 0.882 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.007 5.264 -0.812 1.00 0.00 H new ATOM 895 N GLY A 60 -8.588 9.505 2.334 1.00 0.00 N ATOM 896 CA GLY A 60 -8.815 10.545 1.352 1.00 0.00 C ATOM 897 C GLY A 60 -7.506 11.211 0.966 1.00 0.00 C ATOM 898 O GLY A 60 -6.430 10.782 1.391 1.00 0.00 O ATOM 0 H GLY A 60 -8.560 9.835 3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.288 10.120 0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.503 11.289 1.754 1.00 0.00 H new ATOM 902 N ARG A 61 -7.602 12.287 0.206 1.00 0.00 N ATOM 903 CA ARG A 61 -6.438 13.027 -0.232 1.00 0.00 C ATOM 904 C ARG A 61 -5.819 13.731 0.961 1.00 0.00 C ATOM 905 O ARG A 61 -6.536 14.299 1.787 1.00 0.00 O ATOM 906 CB ARG A 61 -6.877 14.096 -1.244 1.00 0.00 C ATOM 907 CG ARG A 61 -7.512 13.438 -2.482 1.00 0.00 C ATOM 908 CD ARG A 61 -8.088 14.533 -3.391 1.00 0.00 C ATOM 909 NE ARG A 61 -7.026 15.392 -3.923 1.00 0.00 N ATOM 910 CZ ARG A 61 -6.694 15.403 -5.229 1.00 0.00 C ATOM 911 NH1 ARG A 61 -7.336 14.644 -6.076 1.00 0.00 N ATOM 912 NH2 ARG A 61 -5.735 16.179 -5.653 1.00 0.00 N ATOM 0 H ARG A 61 -8.488 12.670 -0.123 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.720 12.344 -0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.592 14.774 -0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.018 14.696 -1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.766 12.854 -3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.299 12.748 -2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.636 14.075 -4.215 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.801 15.137 -2.830 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.520 16.003 -3.282 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.091 14.041 -5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.082 14.654 -7.064 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.236 16.778 -4.996 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.485 16.187 -6.642 1.00 0.00 H new ATOM 926 N GLY A 62 -4.514 13.733 1.033 1.00 0.00 N ATOM 927 CA GLY A 62 -3.813 14.443 2.084 1.00 0.00 C ATOM 928 C GLY A 62 -3.450 13.533 3.241 1.00 0.00 C ATOM 929 O GLY A 62 -2.467 13.777 3.936 1.00 0.00 O ATOM 0 H GLY A 62 -3.906 13.248 0.373 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.906 14.890 1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.436 15.260 2.447 1.00 0.00 H new ATOM 933 N LYS A 63 -4.224 12.477 3.440 1.00 0.00 N ATOM 934 CA LYS A 63 -3.950 11.530 4.522 1.00 0.00 C ATOM 935 C LYS A 63 -2.638 10.796 4.306 1.00 0.00 C ATOM 936 O LYS A 63 -1.935 10.457 5.272 1.00 0.00 O ATOM 937 CB LYS A 63 -5.103 10.527 4.716 1.00 0.00 C ATOM 938 CG LYS A 63 -6.325 11.232 5.329 1.00 0.00 C ATOM 939 CD LYS A 63 -5.964 11.736 6.747 1.00 0.00 C ATOM 940 CE LYS A 63 -7.226 12.040 7.577 1.00 0.00 C ATOM 941 NZ LYS A 63 -8.340 11.136 7.184 1.00 0.00 N ATOM 0 H LYS A 63 -5.042 12.251 2.874 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.863 12.119 5.435 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.373 10.083 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.781 9.713 5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.631 12.068 4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.169 10.545 5.378 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.363 10.985 7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.353 12.635 6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.008 11.918 8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.524 13.078 7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.095 11.185 7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.716 11.430 6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.988 10.159 7.119 1.00 0.00 H new ATOM 955 N MET A 64 -2.351 10.475 3.066 1.00 0.00 N ATOM 956 CA MET A 64 -1.167 9.697 2.743 1.00 0.00 C ATOM 957 C MET A 64 -0.146 10.546 2.021 1.00 0.00 C ATOM 958 O MET A 64 -0.487 11.578 1.430 1.00 0.00 O ATOM 959 CB MET A 64 -1.549 8.499 1.875 1.00 0.00 C ATOM 960 CG MET A 64 -2.642 7.694 2.578 1.00 0.00 C ATOM 961 SD MET A 64 -2.032 7.103 4.172 1.00 0.00 S ATOM 962 CE MET A 64 -2.548 5.384 3.971 1.00 0.00 C ATOM 0 H MET A 64 -2.919 10.738 2.260 1.00 0.00 H new ATOM 0 HA MET A 64 -0.726 9.343 3.675 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.901 8.839 0.901 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.676 7.871 1.697 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.527 8.314 2.723 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.942 6.850 1.957 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.349 5.160 4.676 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.906 5.228 2.953 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.701 4.725 4.163 1.00 0.00 H new ATOM 972 N VAL A 65 1.103 10.110 2.040 1.00 0.00 N ATOM 973 CA VAL A 65 2.128 10.854 1.355 1.00 0.00 C ATOM 974 C VAL A 65 1.816 10.877 -0.132 1.00 0.00 C ATOM 975 O VAL A 65 1.310 9.895 -0.692 1.00 0.00 O ATOM 976 CB VAL A 65 3.528 10.287 1.645 1.00 0.00 C ATOM 977 CG1 VAL A 65 3.763 10.258 3.155 1.00 0.00 C ATOM 978 CG2 VAL A 65 3.652 8.868 1.094 1.00 0.00 C ATOM 0 H VAL A 65 1.420 9.263 2.513 1.00 0.00 H new ATOM 0 HA VAL A 65 2.136 11.879 1.725 1.00 0.00 H new ATOM 0 HB VAL A 65 4.270 10.924 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.755 9.856 3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.691 11.270 3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.011 9.627 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.648 8.481 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.906 8.228 1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.491 8.881 0.016 1.00 0.00 H new ATOM 988 N LYS A 66 1.933 12.044 -0.716 1.00 0.00 N ATOM 989 CA LYS A 66 1.499 12.270 -2.083 1.00 0.00 C ATOM 990 C LYS A 66 1.944 11.167 -3.041 1.00 0.00 C ATOM 991 O LYS A 66 1.141 10.708 -3.857 1.00 0.00 O ATOM 992 CB LYS A 66 1.911 13.663 -2.562 1.00 0.00 C ATOM 993 CG LYS A 66 1.457 14.717 -1.523 1.00 0.00 C ATOM 994 CD LYS A 66 0.043 15.245 -1.852 1.00 0.00 C ATOM 995 CE LYS A 66 -1.035 14.193 -1.524 1.00 0.00 C ATOM 996 NZ LYS A 66 -0.731 13.507 -0.226 1.00 0.00 N ATOM 0 H LYS A 66 2.331 12.867 -0.262 1.00 0.00 H new ATOM 0 HA LYS A 66 0.410 12.228 -2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.992 13.709 -2.695 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.461 13.874 -3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.462 14.276 -0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.164 15.546 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.149 16.156 -1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.013 15.510 -2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.012 14.672 -1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.087 13.457 -2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.613 13.367 0.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.291 12.584 -0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.078 14.093 0.332 1.00 0.00 H new ATOM 1010 N PRO A 67 3.156 10.671 -2.910 1.00 0.00 N ATOM 1011 CA PRO A 67 3.601 9.519 -3.747 1.00 0.00 C ATOM 1012 C PRO A 67 2.651 8.343 -3.572 1.00 0.00 C ATOM 1013 O PRO A 67 2.263 7.673 -4.534 1.00 0.00 O ATOM 1014 CB PRO A 67 4.958 9.155 -3.140 1.00 0.00 C ATOM 1015 CG PRO A 67 5.491 10.418 -2.543 1.00 0.00 C ATOM 1016 CD PRO A 67 4.293 11.324 -2.230 1.00 0.00 C ATOM 0 HA PRO A 67 3.637 9.755 -4.810 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.851 8.379 -2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.635 8.766 -3.901 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.057 10.204 -1.636 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.173 10.911 -3.236 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.123 11.402 -1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.451 12.336 -2.602 1.00 0.00 H new ATOM 1024 N PHE A 68 2.286 8.107 -2.324 1.00 0.00 N ATOM 1025 CA PHE A 68 1.405 7.015 -1.971 1.00 0.00 C ATOM 1026 C PHE A 68 0.062 7.204 -2.636 1.00 0.00 C ATOM 1027 O PHE A 68 -0.468 6.290 -3.262 1.00 0.00 O ATOM 1028 CB PHE A 68 1.238 6.945 -0.446 1.00 0.00 C ATOM 1029 CG PHE A 68 0.527 5.673 -0.059 1.00 0.00 C ATOM 1030 CD1 PHE A 68 1.274 4.516 0.185 1.00 0.00 C ATOM 1031 CD2 PHE A 68 -0.867 5.645 0.069 1.00 0.00 C ATOM 1032 CE1 PHE A 68 0.633 3.337 0.548 1.00 0.00 C ATOM 1033 CE2 PHE A 68 -1.502 4.457 0.434 1.00 0.00 C ATOM 1034 CZ PHE A 68 -0.753 3.304 0.672 1.00 0.00 C ATOM 0 H PHE A 68 2.593 8.668 -1.530 1.00 0.00 H new ATOM 0 HA PHE A 68 1.842 6.078 -2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.215 6.986 0.037 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.672 7.808 -0.095 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.350 4.539 0.091 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.447 6.537 -0.114 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.212 2.444 0.734 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.577 4.430 0.533 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.249 2.386 0.952 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.463 8.420 -2.539 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.753 8.728 -3.148 1.00 0.00 C ATOM 1046 C GLU A 69 -1.641 8.598 -4.655 1.00 0.00 C ATOM 1047 O GLU A 69 -2.542 8.071 -5.322 1.00 0.00 O ATOM 1048 CB GLU A 69 -2.178 10.168 -2.822 1.00 0.00 C ATOM 1049 CG GLU A 69 -2.449 10.333 -1.322 1.00 0.00 C ATOM 1050 CD GLU A 69 -2.873 11.764 -1.018 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -3.288 12.454 -1.925 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -2.784 12.155 0.121 1.00 0.00 O ATOM 0 H GLU A 69 -0.023 9.200 -2.051 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.493 8.032 -2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.396 10.861 -3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.074 10.424 -3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.230 9.640 -1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.553 10.083 -0.754 1.00 0.00 H new ATOM 1059 N ASP A 70 -0.523 9.075 -5.186 1.00 0.00 N ATOM 1060 CA ASP A 70 -0.295 9.056 -6.618 1.00 0.00 C ATOM 1061 C ASP A 70 -0.429 7.643 -7.140 1.00 0.00 C ATOM 1062 O ASP A 70 -1.162 7.390 -8.100 1.00 0.00 O ATOM 1063 CB ASP A 70 1.105 9.600 -6.934 1.00 0.00 C ATOM 1064 CG ASP A 70 1.259 9.833 -8.419 1.00 0.00 C ATOM 1065 OD1 ASP A 70 0.488 10.598 -8.960 1.00 0.00 O ATOM 1066 OD2 ASP A 70 2.146 9.254 -8.997 1.00 0.00 O ATOM 0 H ASP A 70 0.239 9.480 -4.642 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.038 9.688 -7.105 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.270 10.533 -6.395 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.862 8.895 -6.590 1.00 0.00 H new ATOM 1071 N ALA A 71 0.207 6.713 -6.461 1.00 0.00 N ATOM 1072 CA ALA A 71 0.057 5.304 -6.799 1.00 0.00 C ATOM 1073 C ALA A 71 -1.353 4.816 -6.451 1.00 0.00 C ATOM 1074 O ALA A 71 -1.922 3.967 -7.146 1.00 0.00 O ATOM 1075 CB ALA A 71 1.098 4.462 -6.059 1.00 0.00 C ATOM 0 H ALA A 71 0.830 6.900 -5.676 1.00 0.00 H new ATOM 0 HA ALA A 71 0.213 5.192 -7.872 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.971 3.412 -6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.098 4.789 -6.342 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.967 4.584 -4.984 1.00 0.00 H new ATOM 1081 N ALA A 72 -1.865 5.284 -5.314 1.00 0.00 N ATOM 1082 CA ALA A 72 -3.140 4.812 -4.783 1.00 0.00 C ATOM 1083 C ALA A 72 -4.301 5.071 -5.729 1.00 0.00 C ATOM 1084 O ALA A 72 -5.151 4.207 -5.924 1.00 0.00 O ATOM 1085 CB ALA A 72 -3.427 5.449 -3.423 1.00 0.00 C ATOM 0 H ALA A 72 -1.411 5.995 -4.740 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.047 3.732 -4.668 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.382 5.084 -3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.634 5.185 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.470 6.533 -3.531 1.00 0.00 H new ATOM 1091 N PHE A 73 -4.384 6.273 -6.269 1.00 0.00 N ATOM 1092 CA PHE A 73 -5.511 6.603 -7.138 1.00 0.00 C ATOM 1093 C PHE A 73 -5.542 5.730 -8.390 1.00 0.00 C ATOM 1094 O PHE A 73 -6.609 5.258 -8.795 1.00 0.00 O ATOM 1095 CB PHE A 73 -5.546 8.103 -7.484 1.00 0.00 C ATOM 1096 CG PHE A 73 -6.129 8.869 -6.312 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -7.519 8.978 -6.175 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -5.290 9.457 -5.361 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -8.068 9.671 -5.088 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -5.834 10.149 -4.274 1.00 0.00 C ATOM 1101 CZ PHE A 73 -7.225 10.257 -4.136 1.00 0.00 C ATOM 0 H PHE A 73 -3.707 7.023 -6.130 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.419 6.383 -6.577 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.541 8.462 -7.705 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.147 8.269 -8.378 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.169 8.526 -6.910 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.218 9.377 -5.466 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.140 9.753 -4.985 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.182 10.600 -3.541 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.646 10.791 -3.297 1.00 0.00 H new ATOM 1111 N ARG A 74 -4.381 5.494 -8.986 1.00 0.00 N ATOM 1112 CA ARG A 74 -4.312 4.676 -10.195 1.00 0.00 C ATOM 1113 C ARG A 74 -4.757 3.237 -9.939 1.00 0.00 C ATOM 1114 O ARG A 74 -5.421 2.628 -10.771 1.00 0.00 O ATOM 1115 CB ARG A 74 -2.884 4.672 -10.757 1.00 0.00 C ATOM 1116 CG ARG A 74 -2.556 6.043 -11.359 1.00 0.00 C ATOM 1117 CD ARG A 74 -1.096 6.052 -11.831 1.00 0.00 C ATOM 1118 NE ARG A 74 -0.896 5.092 -12.918 1.00 0.00 N ATOM 1119 CZ ARG A 74 0.327 4.788 -13.370 1.00 0.00 C ATOM 1120 NH1 ARG A 74 1.377 5.339 -12.819 1.00 0.00 N ATOM 1121 NH2 ARG A 74 0.466 3.956 -14.360 1.00 0.00 N ATOM 0 H ARG A 74 -3.483 5.851 -8.659 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.995 5.120 -10.920 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.173 4.433 -9.966 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.786 3.898 -11.518 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.222 6.255 -12.195 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.716 6.826 -10.618 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.824 7.052 -12.168 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.438 5.807 -10.997 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.708 4.644 -13.341 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.262 5.997 -12.048 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.311 5.111 -13.160 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.357 3.535 -14.792 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.398 3.724 -14.704 1.00 0.00 H new ATOM 1135 N LEU A 75 -4.340 2.677 -8.819 1.00 0.00 N ATOM 1136 CA LEU A 75 -4.611 1.273 -8.530 1.00 0.00 C ATOM 1137 C LEU A 75 -5.993 1.048 -7.925 1.00 0.00 C ATOM 1138 O LEU A 75 -6.387 -0.095 -7.668 1.00 0.00 O ATOM 1139 CB LEU A 75 -3.458 0.651 -7.695 1.00 0.00 C ATOM 1140 CG LEU A 75 -3.921 0.141 -6.325 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -2.700 -0.314 -5.528 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -4.628 1.249 -5.553 1.00 0.00 C ATOM 0 H LEU A 75 -3.814 3.166 -8.095 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.639 0.738 -9.479 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.016 -0.174 -8.254 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.675 1.396 -7.554 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.614 -0.687 -6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.018 -0.679 -4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.192 -1.114 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.018 0.526 -5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.950 0.869 -4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.943 2.084 -5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.498 1.587 -6.117 1.00 0.00 H new ATOM 1154 N GLN A 76 -6.755 2.130 -7.767 1.00 0.00 N ATOM 1155 CA GLN A 76 -8.129 2.038 -7.250 1.00 0.00 C ATOM 1156 C GLN A 76 -8.917 0.999 -8.036 1.00 0.00 C ATOM 1157 O GLN A 76 -9.892 0.430 -7.536 1.00 0.00 O ATOM 1158 CB GLN A 76 -8.834 3.397 -7.350 1.00 0.00 C ATOM 1159 CG GLN A 76 -8.396 4.296 -6.190 1.00 0.00 C ATOM 1160 CD GLN A 76 -9.410 4.213 -5.050 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -9.645 3.134 -4.508 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -10.036 5.282 -4.668 1.00 0.00 N ATOM 0 H GLN A 76 -6.450 3.078 -7.987 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.081 1.739 -6.203 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.594 3.872 -8.301 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.915 3.259 -7.327 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.412 3.991 -5.835 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.306 5.327 -6.533 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.840 6.176 -5.118 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.724 5.229 -3.917 1.00 0.00 H new ATOM 1171 N VAL A 77 -8.470 0.742 -9.251 1.00 0.00 N ATOM 1172 CA VAL A 77 -9.084 -0.247 -10.107 1.00 0.00 C ATOM 1173 C VAL A 77 -9.054 -1.634 -9.446 1.00 0.00 C ATOM 1174 O VAL A 77 -9.917 -2.476 -9.706 1.00 0.00 O ATOM 1175 CB VAL A 77 -8.366 -0.259 -11.469 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -6.867 -0.539 -11.273 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -8.971 -1.339 -12.373 1.00 0.00 C ATOM 0 H VAL A 77 -7.670 1.216 -9.670 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.131 0.013 -10.266 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.493 0.717 -11.938 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.368 -0.545 -12.242 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.431 0.238 -10.646 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.738 -1.509 -10.792 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.456 -1.339 -13.334 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.858 -2.315 -11.900 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.030 -1.132 -12.529 1.00 0.00 H new ATOM 1187 N GLY A 78 -8.072 -1.857 -8.586 1.00 0.00 N ATOM 1188 CA GLY A 78 -7.924 -3.131 -7.900 1.00 0.00 C ATOM 1189 C GLY A 78 -6.591 -3.747 -8.221 1.00 0.00 C ATOM 1190 O GLY A 78 -6.519 -4.904 -8.643 1.00 0.00 O ATOM 0 H GLY A 78 -7.361 -1.166 -8.345 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.014 -2.984 -6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.725 -3.807 -8.198 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.550 -2.946 -8.138 1.00 0.00 N ATOM 1195 CA GLU A 79 -4.237 -3.377 -8.559 1.00 0.00 C ATOM 1196 C GLU A 79 -3.235 -3.396 -7.424 1.00 0.00 C ATOM 1197 O GLU A 79 -3.467 -2.817 -6.364 1.00 0.00 O ATOM 1198 CB GLU A 79 -3.757 -2.459 -9.673 1.00 0.00 C ATOM 1199 CG GLU A 79 -4.440 -2.840 -10.984 1.00 0.00 C ATOM 1200 CD GLU A 79 -3.857 -4.131 -11.513 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -2.654 -4.195 -11.657 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -4.613 -5.039 -11.772 1.00 0.00 O ATOM 0 H GLU A 79 -5.589 -1.991 -7.782 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.316 -4.404 -8.916 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.980 -1.422 -9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.675 -2.536 -9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.512 -2.953 -10.826 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.308 -2.044 -11.717 1.00 0.00 H new ATOM 1209 N VAL A 80 -2.072 -3.960 -7.712 1.00 0.00 N ATOM 1210 CA VAL A 80 -0.938 -3.888 -6.819 1.00 0.00 C ATOM 1211 C VAL A 80 -0.029 -2.804 -7.357 1.00 0.00 C ATOM 1212 O VAL A 80 0.416 -2.884 -8.506 1.00 0.00 O ATOM 1213 CB VAL A 80 -0.170 -5.223 -6.795 1.00 0.00 C ATOM 1214 CG1 VAL A 80 0.810 -5.238 -5.619 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -1.139 -6.393 -6.657 1.00 0.00 C ATOM 0 H VAL A 80 -1.893 -4.479 -8.572 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.272 -3.676 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 80 0.378 -5.323 -7.732 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.350 -6.185 -5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.519 -4.417 -5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.260 -5.123 -4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.580 -7.329 -6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.702 -6.292 -5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.828 -6.396 -7.501 1.00 0.00 H new ATOM 1225 N SER A 81 0.174 -1.763 -6.596 1.00 0.00 N ATOM 1226 CA SER A 81 0.948 -0.649 -7.081 1.00 0.00 C ATOM 1227 C SER A 81 2.363 -1.080 -7.374 1.00 0.00 C ATOM 1228 O SER A 81 2.942 -1.893 -6.637 1.00 0.00 O ATOM 1229 CB SER A 81 0.964 0.474 -6.045 1.00 0.00 C ATOM 1230 OG SER A 81 1.680 0.042 -4.884 1.00 0.00 O ATOM 0 H SER A 81 -0.182 -1.661 -5.645 1.00 0.00 H new ATOM 0 HA SER A 81 0.487 -0.286 -8.000 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.433 1.364 -6.465 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.056 0.749 -5.775 1.00 0.00 H new ATOM 0 HG SER A 81 2.639 0.197 -5.015 1.00 0.00 H new ATOM 1236 N GLU A 82 2.978 -0.405 -8.322 1.00 0.00 N ATOM 1237 CA GLU A 82 4.391 -0.560 -8.533 1.00 0.00 C ATOM 1238 C GLU A 82 5.085 -0.050 -7.278 1.00 0.00 C ATOM 1239 O GLU A 82 4.420 0.505 -6.397 1.00 0.00 O ATOM 1240 CB GLU A 82 4.833 0.247 -9.763 1.00 0.00 C ATOM 1241 CG GLU A 82 3.953 1.493 -9.926 1.00 0.00 C ATOM 1242 CD GLU A 82 4.709 2.538 -10.707 1.00 0.00 C ATOM 1243 OE1 GLU A 82 4.636 2.516 -11.913 1.00 0.00 O ATOM 1244 OE2 GLU A 82 5.377 3.336 -10.097 1.00 0.00 O ATOM 0 H GLU A 82 2.519 0.252 -8.953 1.00 0.00 H new ATOM 0 HA GLU A 82 4.649 -1.603 -8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.877 0.542 -9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.766 -0.373 -10.657 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.029 1.234 -10.442 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.673 1.885 -8.948 1.00 0.00 H new ATOM 1251 N PRO A 83 6.368 -0.241 -7.134 1.00 0.00 N ATOM 1252 CA PRO A 83 7.035 0.239 -5.886 1.00 0.00 C ATOM 1253 C PRO A 83 6.797 1.741 -5.715 1.00 0.00 C ATOM 1254 O PRO A 83 7.020 2.517 -6.642 1.00 0.00 O ATOM 1255 CB PRO A 83 8.528 -0.036 -6.140 1.00 0.00 C ATOM 1256 CG PRO A 83 8.540 -1.085 -7.198 1.00 0.00 C ATOM 1257 CD PRO A 83 7.351 -0.757 -8.095 1.00 0.00 C ATOM 0 HA PRO A 83 6.662 -0.249 -4.986 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.047 0.865 -6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.028 -0.380 -5.234 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.474 -1.068 -7.760 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.445 -2.081 -6.766 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.606 -0.017 -8.854 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.983 -1.638 -8.620 1.00 0.00 H new ATOM 1265 N VAL A 84 6.385 2.141 -4.534 1.00 0.00 N ATOM 1266 CA VAL A 84 6.163 3.546 -4.235 1.00 0.00 C ATOM 1267 C VAL A 84 7.276 4.029 -3.325 1.00 0.00 C ATOM 1268 O VAL A 84 7.396 3.566 -2.202 1.00 0.00 O ATOM 1269 CB VAL A 84 4.803 3.713 -3.543 1.00 0.00 C ATOM 1270 CG1 VAL A 84 4.431 5.195 -3.419 1.00 0.00 C ATOM 1271 CG2 VAL A 84 3.719 2.973 -4.340 1.00 0.00 C ATOM 0 H VAL A 84 6.194 1.511 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 84 6.162 4.132 -5.154 1.00 0.00 H new ATOM 0 HB VAL A 84 4.874 3.289 -2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.463 5.287 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.189 5.712 -2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.376 5.641 -4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.756 3.095 -3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.663 3.385 -5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.967 1.913 -4.395 1.00 0.00 H new ATOM 1281 N LYS A 85 8.131 4.896 -3.827 1.00 0.00 N ATOM 1282 CA LYS A 85 9.264 5.353 -3.041 1.00 0.00 C ATOM 1283 C LYS A 85 8.887 6.568 -2.205 1.00 0.00 C ATOM 1284 O LYS A 85 8.251 7.500 -2.701 1.00 0.00 O ATOM 1285 CB LYS A 85 10.452 5.663 -3.951 1.00 0.00 C ATOM 1286 CG LYS A 85 11.707 5.927 -3.108 1.00 0.00 C ATOM 1287 CD LYS A 85 12.903 6.094 -4.044 1.00 0.00 C ATOM 1288 CE LYS A 85 14.188 6.292 -3.230 1.00 0.00 C ATOM 1289 NZ LYS A 85 15.345 6.277 -4.154 1.00 0.00 N ATOM 0 H LYS A 85 8.067 5.296 -4.763 1.00 0.00 H new ATOM 0 HA LYS A 85 9.555 4.555 -2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.629 4.828 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.230 6.533 -4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.573 6.824 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.880 5.100 -2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.000 5.216 -4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.744 6.950 -4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.150 7.237 -2.688 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.289 5.502 -2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.194 6.609 -3.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.503 5.308 -4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.152 6.903 -4.962 1.00 0.00 H new ATOM 1303 N SER A 86 9.277 6.555 -0.947 1.00 0.00 N ATOM 1304 CA SER A 86 8.988 7.644 -0.036 1.00 0.00 C ATOM 1305 C SER A 86 10.150 7.817 0.921 1.00 0.00 C ATOM 1306 O SER A 86 11.053 6.972 0.972 1.00 0.00 O ATOM 1307 CB SER A 86 7.714 7.346 0.760 1.00 0.00 C ATOM 1308 OG SER A 86 8.043 6.504 1.862 1.00 0.00 O ATOM 0 H SER A 86 9.803 5.789 -0.527 1.00 0.00 H new ATOM 0 HA SER A 86 8.840 8.559 -0.610 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.266 8.274 1.116 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.976 6.860 0.122 1.00 0.00 H new ATOM 0 HG SER A 86 7.513 5.681 1.815 1.00 0.00 H new ATOM 1314 N GLU A 87 10.089 8.855 1.728 1.00 0.00 N ATOM 1315 CA GLU A 87 11.085 9.063 2.759 1.00 0.00 C ATOM 1316 C GLU A 87 11.116 7.847 3.679 1.00 0.00 C ATOM 1317 O GLU A 87 12.160 7.492 4.228 1.00 0.00 O ATOM 1318 CB GLU A 87 10.748 10.322 3.572 1.00 0.00 C ATOM 1319 CG GLU A 87 9.221 10.461 3.705 1.00 0.00 C ATOM 1320 CD GLU A 87 8.681 11.333 2.597 1.00 0.00 C ATOM 1321 OE1 GLU A 87 8.682 12.529 2.765 1.00 0.00 O ATOM 1322 OE2 GLU A 87 8.283 10.796 1.589 1.00 0.00 O ATOM 0 H GLU A 87 9.361 9.568 1.691 1.00 0.00 H new ATOM 0 HA GLU A 87 12.062 9.197 2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.205 10.262 4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.162 11.204 3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.754 9.477 3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.970 10.893 4.674 1.00 0.00 H new ATOM 1329 N PHE A 88 9.961 7.214 3.831 1.00 0.00 N ATOM 1330 CA PHE A 88 9.832 6.029 4.667 1.00 0.00 C ATOM 1331 C PHE A 88 10.604 4.861 4.072 1.00 0.00 C ATOM 1332 O PHE A 88 11.145 4.027 4.801 1.00 0.00 O ATOM 1333 CB PHE A 88 8.358 5.639 4.807 1.00 0.00 C ATOM 1334 CG PHE A 88 7.626 6.680 5.625 1.00 0.00 C ATOM 1335 CD1 PHE A 88 7.812 6.751 7.014 1.00 0.00 C ATOM 1336 CD2 PHE A 88 6.767 7.585 4.990 1.00 0.00 C ATOM 1337 CE1 PHE A 88 7.133 7.719 7.759 1.00 0.00 C ATOM 1338 CE2 PHE A 88 6.094 8.553 5.740 1.00 0.00 C ATOM 1339 CZ PHE A 88 6.274 8.618 7.125 1.00 0.00 C ATOM 0 H PHE A 88 9.093 7.505 3.382 1.00 0.00 H new ATOM 0 HA PHE A 88 10.244 6.263 5.649 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.901 5.551 3.821 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.275 4.663 5.286 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.479 6.059 7.507 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.625 7.535 3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.273 7.772 8.829 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.434 9.252 5.249 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.749 9.363 7.704 1.00 0.00 H new ATOM 1349 N GLY A 89 10.567 4.751 2.755 1.00 0.00 N ATOM 1350 CA GLY A 89 11.171 3.623 2.054 1.00 0.00 C ATOM 1351 C GLY A 89 10.380 3.329 0.797 1.00 0.00 C ATOM 1352 O GLY A 89 9.811 4.245 0.195 1.00 0.00 O ATOM 0 H GLY A 89 10.122 5.434 2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.206 3.851 1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.187 2.745 2.700 1.00 0.00 H new ATOM 1356 N TYR A 90 10.290 2.061 0.432 1.00 0.00 N ATOM 1357 CA TYR A 90 9.499 1.663 -0.728 1.00 0.00 C ATOM 1358 C TYR A 90 8.220 0.971 -0.276 1.00 0.00 C ATOM 1359 O TYR A 90 8.271 0.026 0.496 1.00 0.00 O ATOM 1360 CB TYR A 90 10.310 0.711 -1.625 1.00 0.00 C ATOM 1361 CG TYR A 90 11.452 1.459 -2.284 1.00 0.00 C ATOM 1362 CD1 TYR A 90 11.251 2.109 -3.511 1.00 0.00 C ATOM 1363 CD2 TYR A 90 12.711 1.500 -1.676 1.00 0.00 C ATOM 1364 CE1 TYR A 90 12.303 2.797 -4.123 1.00 0.00 C ATOM 1365 CE2 TYR A 90 13.766 2.185 -2.291 1.00 0.00 C ATOM 1366 CZ TYR A 90 13.562 2.836 -3.516 1.00 0.00 C ATOM 1367 OH TYR A 90 14.608 3.513 -4.124 1.00 0.00 O ATOM 0 H TYR A 90 10.751 1.291 0.917 1.00 0.00 H new ATOM 0 HA TYR A 90 9.243 2.557 -1.297 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.701 -0.115 -1.031 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.662 0.277 -2.387 1.00 0.00 H new ATOM 0 HD1 TYR A 90 10.281 2.078 -3.984 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.870 1.002 -0.731 1.00 0.00 H new ATOM 0 HE1 TYR A 90 12.143 3.299 -5.066 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.738 2.212 -1.821 1.00 0.00 H new ATOM 0 HH TYR A 90 15.411 3.441 -3.568 1.00 0.00 H new ATOM 1377 N HIS A 91 7.080 1.403 -0.802 1.00 0.00 N ATOM 1378 CA HIS A 91 5.801 0.783 -0.457 1.00 0.00 C ATOM 1379 C HIS A 91 5.240 0.029 -1.641 1.00 0.00 C ATOM 1380 O HIS A 91 5.298 0.512 -2.774 1.00 0.00 O ATOM 1381 CB HIS A 91 4.741 1.828 -0.050 1.00 0.00 C ATOM 1382 CG HIS A 91 5.291 2.870 0.881 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.725 3.105 2.122 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.310 3.776 0.757 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.393 4.117 2.687 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.367 4.563 1.896 1.00 0.00 N ATOM 0 H HIS A 91 7.012 2.175 -1.465 1.00 0.00 H new ATOM 0 HA HIS A 91 6.004 0.115 0.380 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.351 2.314 -0.945 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.902 1.323 0.429 1.00 0.00 H new ATOM 0 HD1 HIS A 91 3.940 2.598 2.532 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.967 3.864 -0.096 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.170 4.522 3.663 1.00 0.00 H new ATOM 1394 N VAL A 92 4.526 -1.038 -1.356 1.00 0.00 N ATOM 1395 CA VAL A 92 3.708 -1.706 -2.347 1.00 0.00 C ATOM 1396 C VAL A 92 2.266 -1.626 -1.886 1.00 0.00 C ATOM 1397 O VAL A 92 1.976 -1.918 -0.720 1.00 0.00 O ATOM 1398 CB VAL A 92 4.146 -3.165 -2.513 1.00 0.00 C ATOM 1399 CG1 VAL A 92 3.120 -3.927 -3.361 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.511 -3.209 -3.198 1.00 0.00 C ATOM 0 H VAL A 92 4.495 -1.468 -0.431 1.00 0.00 H new ATOM 0 HA VAL A 92 3.819 -1.223 -3.318 1.00 0.00 H new ATOM 0 HB VAL A 92 4.213 -3.634 -1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.439 -4.963 -3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.148 -3.898 -2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.043 -3.462 -4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.825 -4.246 -3.317 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.442 -2.736 -4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.241 -2.677 -2.589 1.00 0.00 H new ATOM 1410 N ILE A 93 1.385 -1.162 -2.749 1.00 0.00 N ATOM 1411 CA ILE A 93 0.006 -0.967 -2.369 1.00 0.00 C ATOM 1412 C ILE A 93 -0.882 -1.998 -3.046 1.00 0.00 C ATOM 1413 O ILE A 93 -0.951 -2.060 -4.267 1.00 0.00 O ATOM 1414 CB ILE A 93 -0.457 0.448 -2.765 1.00 0.00 C ATOM 1415 CG1 ILE A 93 0.458 1.495 -2.119 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.893 0.681 -2.279 1.00 0.00 C ATOM 1417 CD1 ILE A 93 0.100 2.889 -2.650 1.00 0.00 C ATOM 0 H ILE A 93 1.601 -0.914 -3.715 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.073 -1.085 -1.288 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.415 0.539 -3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.349 1.469 -1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.501 1.267 -2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.215 1.683 -2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.555 -0.055 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.931 0.581 -1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.751 3.632 -2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.232 2.911 -3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.938 3.116 -2.406 1.00 0.00 H new ATOM 1429 N LYS A 94 -1.665 -2.691 -2.256 1.00 0.00 N ATOM 1430 CA LYS A 94 -2.704 -3.561 -2.765 1.00 0.00 C ATOM 1431 C LYS A 94 -4.025 -2.872 -2.547 1.00 0.00 C ATOM 1432 O LYS A 94 -4.260 -2.306 -1.474 1.00 0.00 O ATOM 1433 CB LYS A 94 -2.682 -4.926 -2.044 1.00 0.00 C ATOM 1434 CG LYS A 94 -3.940 -5.759 -2.385 1.00 0.00 C ATOM 1435 CD LYS A 94 -4.007 -6.068 -3.888 1.00 0.00 C ATOM 1436 CE LYS A 94 -5.303 -6.845 -4.219 1.00 0.00 C ATOM 1437 NZ LYS A 94 -6.393 -6.483 -3.268 1.00 0.00 N ATOM 0 H LYS A 94 -1.602 -2.669 -1.238 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.544 -3.753 -3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.788 -5.478 -2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.627 -4.770 -0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.928 -6.691 -1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.834 -5.214 -2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.975 -5.140 -4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.137 -6.654 -4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.615 -6.623 -5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.112 -7.917 -4.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.290 -6.894 -3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.167 -6.854 -2.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.483 -5.448 -3.221 1.00 0.00 H new ATOM 1451 N ARG A 95 -4.888 -2.889 -3.537 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.153 -2.217 -3.383 1.00 0.00 C ATOM 1453 C ARG A 95 -7.064 -3.062 -2.526 1.00 0.00 C ATOM 1454 O ARG A 95 -7.090 -4.296 -2.655 1.00 0.00 O ATOM 1455 CB ARG A 95 -6.831 -1.972 -4.729 1.00 0.00 C ATOM 1456 CG ARG A 95 -7.981 -0.966 -4.524 1.00 0.00 C ATOM 1457 CD ARG A 95 -9.294 -1.518 -5.098 1.00 0.00 C ATOM 1458 NE ARG A 95 -10.407 -1.177 -4.201 1.00 0.00 N ATOM 1459 CZ ARG A 95 -11.462 -0.460 -4.584 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -11.502 0.082 -5.774 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -12.442 -0.278 -3.753 1.00 0.00 N ATOM 0 H ARG A 95 -4.742 -3.349 -4.435 1.00 0.00 H new ATOM 0 HA ARG A 95 -5.964 -1.251 -2.914 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.112 -1.583 -5.450 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.215 -2.908 -5.135 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.103 -0.757 -3.461 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.735 -0.021 -5.009 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.472 -1.102 -6.090 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.226 -2.600 -5.214 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.370 -1.506 -3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.721 -0.043 -6.418 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.314 0.629 -6.058 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.399 -0.682 -2.818 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.255 0.269 -4.035 1.00 0.00 H new ATOM 1475 N LEU A 96 -7.825 -2.399 -1.688 1.00 0.00 N ATOM 1476 CA LEU A 96 -8.787 -3.033 -0.828 1.00 0.00 C ATOM 1477 C LEU A 96 -10.172 -2.702 -1.360 1.00 0.00 C ATOM 1478 O LEU A 96 -10.398 -1.589 -1.832 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.615 -2.503 0.603 1.00 0.00 C ATOM 1480 CG LEU A 96 -9.650 -3.128 1.539 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -9.361 -4.624 1.705 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -9.567 -2.449 2.905 1.00 0.00 C ATOM 0 H LEU A 96 -7.790 -1.385 -1.585 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.647 -4.114 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.610 -2.728 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.720 -1.418 0.609 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.646 -2.995 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.101 -5.066 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.411 -5.114 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.365 -4.757 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -10.303 -2.891 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.569 -2.587 3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.770 -1.384 2.795 1.00 0.00 H new ATOM 1494 N GLY A 97 -11.016 -3.702 -1.474 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.309 -3.536 -2.117 1.00 0.00 C ATOM 1496 C GLY A 97 -13.194 -2.567 -1.358 1.00 0.00 C ATOM 1497 O GLY A 97 -13.894 -3.003 -0.476 1.00 0.00 O ATOM 1498 OXT GLY A 97 -13.167 -1.408 -1.670 1.00 0.00 O ATOM 0 H GLY A 97 -10.833 -4.645 -1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.165 -3.176 -3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.806 -4.503 -2.188 1.00 0.00 H new