USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 734 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 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -0.582 K(o=-0.58,f=0.014) USER MOD Set 2.1: A 43 LYS NZ :NH3+ -116:sc= 1.27 (180deg=0) USER MOD Set 2.2: A 68 ASN : amide:sc= 0.679 K(o=1.9,f=-8.6!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -160:sc= -0.0196 USER MOD Single : A 40 LYS NZ :NH3+ -165:sc= -0.0044 (180deg=-0.109) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 47 SER OG : rot -63:sc= -0.159 USER MOD Single : A 48 HIS : no HE2:sc= -6.54! C(o=-6.5!,f=-6.7!) USER MOD Single : A 54 HIS : no HD1:sc= -0.245 K(o=-0.25,f=-0.75) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -54:sc= 0.264 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.1! C(o=-1.1!,f=-0.95!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0472 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 89 SER OG : rot -159:sc= 0.0117 USER MOD Single : A 90 THR OG1 : rot -87:sc= 1.16 USER MOD Single : A 91 ASN : amide:sc= -3.51! K(o=-3.5!,f=-0.98) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LEU A 15 10.842 -3.598 -10.888 1.00 0.00 N ATOM 164 CA LEU A 15 9.530 -3.106 -10.479 1.00 0.00 C ATOM 165 C LEU A 15 8.499 -4.230 -10.494 1.00 0.00 C ATOM 166 O LEU A 15 8.392 -4.975 -11.467 1.00 0.00 O ATOM 167 CB LEU A 15 9.079 -1.972 -11.401 1.00 0.00 C ATOM 168 CG LEU A 15 9.922 -0.697 -11.360 1.00 0.00 C ATOM 169 CD1 LEU A 15 9.438 0.297 -12.404 1.00 0.00 C ATOM 170 CD2 LEU A 15 9.882 -0.077 -9.971 1.00 0.00 C ATOM 0 HA LEU A 15 9.612 -2.727 -9.460 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.071 -2.345 -12.425 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.051 -1.712 -11.148 1.00 0.00 H new ATOM 0 HG LEU A 15 10.955 -0.959 -11.590 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.050 1.198 -12.360 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.519 -0.148 -13.396 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.398 0.555 -12.206 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.487 0.829 -9.960 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.852 0.171 -9.713 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.278 -0.787 -9.244 1.00 0.00 H new ATOM 182 N ALA A 16 7.741 -4.345 -9.408 1.00 0.00 N ATOM 183 CA ALA A 16 6.716 -5.374 -9.297 1.00 0.00 C ATOM 184 C ALA A 16 5.322 -4.758 -9.246 1.00 0.00 C ATOM 185 O ALA A 16 5.057 -3.861 -8.445 1.00 0.00 O ATOM 186 CB ALA A 16 6.961 -6.233 -8.066 1.00 0.00 C ATOM 0 H ALA A 16 7.818 -3.737 -8.592 1.00 0.00 H new ATOM 0 HA ALA A 16 6.773 -6.005 -10.184 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.187 -6.998 -7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.937 -6.711 -8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.934 -5.607 -7.174 1.00 0.00 H new ATOM 192 N THR A 17 4.433 -5.243 -10.107 1.00 0.00 N ATOM 193 CA THR A 17 3.067 -4.739 -10.161 1.00 0.00 C ATOM 194 C THR A 17 2.351 -4.947 -8.831 1.00 0.00 C ATOM 195 O THR A 17 1.894 -6.048 -8.526 1.00 0.00 O ATOM 196 CB THR A 17 2.258 -5.424 -11.279 1.00 0.00 C ATOM 197 OG1 THR A 17 2.961 -5.325 -12.523 1.00 0.00 O ATOM 198 CG2 THR A 17 0.882 -4.791 -11.417 1.00 0.00 C ATOM 0 H THR A 17 4.635 -5.985 -10.777 1.00 0.00 H new ATOM 0 HA THR A 17 3.133 -3.672 -10.372 1.00 0.00 H new ATOM 0 HB THR A 17 2.132 -6.474 -11.015 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.441 -5.764 -13.228 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.329 -5.291 -12.212 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.339 -4.893 -10.478 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.990 -3.734 -11.660 1.00 0.00 H new ATOM 206 N VAL A 18 2.255 -3.881 -8.043 1.00 0.00 N ATOM 207 CA VAL A 18 1.592 -3.946 -6.746 1.00 0.00 C ATOM 208 C VAL A 18 0.252 -3.220 -6.777 1.00 0.00 C ATOM 209 O VAL A 18 0.198 -1.996 -6.892 1.00 0.00 O ATOM 210 CB VAL A 18 2.469 -3.335 -5.637 1.00 0.00 C ATOM 211 CG1 VAL A 18 1.718 -3.314 -4.314 1.00 0.00 C ATOM 212 CG2 VAL A 18 3.775 -4.105 -5.506 1.00 0.00 C ATOM 0 H VAL A 18 2.628 -2.962 -8.280 1.00 0.00 H new ATOM 0 HA VAL A 18 1.425 -5.001 -6.528 1.00 0.00 H new ATOM 0 HB VAL A 18 2.706 -2.307 -5.910 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.353 -2.879 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.813 -2.716 -4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.449 -4.332 -4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.382 -3.660 -4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.561 -5.144 -5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.318 -4.063 -6.450 1.00 0.00 H new ATOM 222 N LYS A 19 -0.830 -3.984 -6.672 1.00 0.00 N ATOM 223 CA LYS A 19 -2.173 -3.415 -6.685 1.00 0.00 C ATOM 224 C LYS A 19 -2.586 -2.963 -5.288 1.00 0.00 C ATOM 225 O LYS A 19 -2.494 -3.725 -4.325 1.00 0.00 O ATOM 226 CB LYS A 19 -3.177 -4.439 -7.219 1.00 0.00 C ATOM 227 CG LYS A 19 -3.044 -4.701 -8.709 1.00 0.00 C ATOM 228 CD LYS A 19 -3.983 -5.805 -9.168 1.00 0.00 C ATOM 229 CE LYS A 19 -3.381 -7.182 -8.934 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.408 -8.257 -9.016 1.00 0.00 N ATOM 0 H LYS A 19 -0.803 -4.999 -6.577 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.166 -2.545 -7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.047 -5.378 -6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.187 -4.088 -7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.260 -3.786 -9.261 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.015 -4.978 -8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.929 -5.725 -8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.204 -5.679 -10.228 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.601 -7.368 -9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.905 -7.209 -7.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.958 -9.180 -8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.139 -8.094 -8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.845 -8.249 -9.960 1.00 0.00 H new ATOM 244 N VAL A 20 -3.044 -1.719 -5.185 1.00 0.00 N ATOM 245 CA VAL A 20 -3.474 -1.167 -3.906 1.00 0.00 C ATOM 246 C VAL A 20 -4.983 -0.955 -3.878 1.00 0.00 C ATOM 247 O VAL A 20 -5.552 -0.346 -4.784 1.00 0.00 O ATOM 248 CB VAL A 20 -2.773 0.172 -3.609 1.00 0.00 C ATOM 249 CG1 VAL A 20 -3.478 0.904 -2.476 1.00 0.00 C ATOM 250 CG2 VAL A 20 -1.307 -0.056 -3.276 1.00 0.00 C ATOM 0 H VAL A 20 -3.127 -1.075 -5.972 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.198 -1.891 -3.140 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.826 0.795 -4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.969 1.848 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.512 1.101 -2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.459 0.288 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.828 0.901 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.229 -0.698 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.812 -0.534 -4.121 1.00 0.00 H new ATOM 260 N VAL A 21 -5.628 -1.463 -2.832 1.00 0.00 N ATOM 261 CA VAL A 21 -7.072 -1.328 -2.685 1.00 0.00 C ATOM 262 C VAL A 21 -7.429 -0.645 -1.370 1.00 0.00 C ATOM 263 O VAL A 21 -6.940 -1.026 -0.306 1.00 0.00 O ATOM 264 CB VAL A 21 -7.772 -2.699 -2.745 1.00 0.00 C ATOM 265 CG1 VAL A 21 -9.200 -2.592 -2.232 1.00 0.00 C ATOM 266 CG2 VAL A 21 -7.747 -3.248 -4.164 1.00 0.00 C ATOM 0 H VAL A 21 -5.173 -1.972 -2.074 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.419 -0.714 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.231 -3.393 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.679 -3.570 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.190 -2.245 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.756 -1.884 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.246 -4.217 -4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.264 -2.557 -4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.714 -3.364 -4.491 1.00 0.00 H new ATOM 276 N LEU A 22 -8.285 0.368 -1.450 1.00 0.00 N ATOM 277 CA LEU A 22 -8.710 1.106 -0.265 1.00 0.00 C ATOM 278 C LEU A 22 -9.777 0.334 0.504 1.00 0.00 C ATOM 279 O LEU A 22 -10.808 -0.043 -0.053 1.00 0.00 O ATOM 280 CB LEU A 22 -9.247 2.482 -0.663 1.00 0.00 C ATOM 281 CG LEU A 22 -8.201 3.519 -1.072 1.00 0.00 C ATOM 282 CD1 LEU A 22 -8.849 4.652 -1.853 1.00 0.00 C ATOM 283 CD2 LEU A 22 -7.478 4.059 0.153 1.00 0.00 C ATOM 0 H LEU A 22 -8.698 0.697 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.843 1.234 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.944 2.352 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.818 2.883 0.174 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.469 3.033 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.089 5.380 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.320 4.252 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.603 5.137 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.737 4.796 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.198 4.528 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.980 3.240 0.672 1.00 0.00 H new ATOM 295 N ILE A 23 -9.522 0.104 1.788 1.00 0.00 N ATOM 296 CA ILE A 23 -10.462 -0.620 2.635 1.00 0.00 C ATOM 297 C ILE A 23 -11.699 0.222 2.929 1.00 0.00 C ATOM 298 O ILE A 23 -12.829 -0.163 2.630 1.00 0.00 O ATOM 299 CB ILE A 23 -9.812 -1.041 3.966 1.00 0.00 C ATOM 300 CG1 ILE A 23 -9.188 -2.432 3.837 1.00 0.00 C ATOM 301 CG2 ILE A 23 -10.840 -1.017 5.088 1.00 0.00 C ATOM 302 CD1 ILE A 23 -10.174 -3.499 3.417 1.00 0.00 C ATOM 0 H ILE A 23 -8.673 0.408 2.264 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.757 -1.514 2.086 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.022 -0.331 4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.377 -2.392 3.110 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.746 -2.713 4.793 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.366 -1.317 6.022 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.242 -0.009 5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.650 -1.708 4.854 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.663 -4.459 3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.973 -3.567 4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.598 -3.241 2.447 1.00 0.00 H new ATOM 314 N PRO A 24 -11.481 1.402 3.529 1.00 0.00 N ATOM 315 CA PRO A 24 -12.566 2.326 3.875 1.00 0.00 C ATOM 316 C PRO A 24 -13.204 2.959 2.643 1.00 0.00 C ATOM 317 O PRO A 24 -14.307 3.500 2.711 1.00 0.00 O ATOM 318 CB PRO A 24 -11.867 3.392 4.722 1.00 0.00 C ATOM 319 CG PRO A 24 -10.445 3.357 4.278 1.00 0.00 C ATOM 320 CD PRO A 24 -10.160 1.926 3.915 1.00 0.00 C ATOM 0 HA PRO A 24 -13.383 1.820 4.390 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.307 4.376 4.562 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.955 3.173 5.786 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.287 4.015 3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.780 3.698 5.071 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.444 1.854 3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.739 1.374 4.756 1.00 0.00 H new ATOM 328 N VAL A 25 -12.502 2.887 1.516 1.00 0.00 N ATOM 329 CA VAL A 25 -13.001 3.451 0.268 1.00 0.00 C ATOM 330 C VAL A 25 -13.408 2.353 -0.708 1.00 0.00 C ATOM 331 O VAL A 25 -14.556 2.290 -1.145 1.00 0.00 O ATOM 332 CB VAL A 25 -11.947 4.353 -0.401 1.00 0.00 C ATOM 333 CG1 VAL A 25 -12.607 5.309 -1.383 1.00 0.00 C ATOM 334 CG2 VAL A 25 -11.156 5.117 0.650 1.00 0.00 C ATOM 0 H VAL A 25 -11.586 2.444 1.442 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.875 4.051 0.519 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.254 3.721 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.846 5.938 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -13.124 4.738 -2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.324 5.937 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.416 5.749 0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.834 5.739 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.651 4.411 1.309 1.00 0.00 H new ATOM 344 N GLY A 26 -12.457 1.488 -1.047 1.00 0.00 N ATOM 345 CA GLY A 26 -12.736 0.402 -1.969 1.00 0.00 C ATOM 346 C GLY A 26 -12.144 0.643 -3.344 1.00 0.00 C ATOM 347 O GLY A 26 -12.231 -0.214 -4.223 1.00 0.00 O ATOM 0 H GLY A 26 -11.498 1.520 -0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.337 -0.527 -1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.815 0.273 -2.059 1.00 0.00 H new ATOM 351 N GLN A 27 -11.542 1.814 -3.530 1.00 0.00 N ATOM 352 CA GLN A 27 -10.936 2.165 -4.809 1.00 0.00 C ATOM 353 C GLN A 27 -9.638 1.395 -5.027 1.00 0.00 C ATOM 354 O GLN A 27 -8.910 1.108 -4.077 1.00 0.00 O ATOM 355 CB GLN A 27 -10.668 3.670 -4.874 1.00 0.00 C ATOM 356 CG GLN A 27 -10.352 4.172 -6.274 1.00 0.00 C ATOM 357 CD GLN A 27 -10.563 5.666 -6.420 1.00 0.00 C ATOM 358 OE1 GLN A 27 -11.683 6.162 -6.291 1.00 0.00 O ATOM 359 NE2 GLN A 27 -9.485 6.393 -6.689 1.00 0.00 N ATOM 0 H GLN A 27 -11.461 2.534 -2.812 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.635 1.893 -5.600 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.540 4.203 -4.494 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.835 3.911 -4.214 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.318 3.930 -6.518 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.981 3.648 -6.994 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.576 5.940 -6.788 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.566 7.404 -6.797 1.00 0.00 H new ATOM 368 N GLU A 28 -9.355 1.063 -6.283 1.00 0.00 N ATOM 369 CA GLU A 28 -8.145 0.325 -6.623 1.00 0.00 C ATOM 370 C GLU A 28 -7.150 1.220 -7.357 1.00 0.00 C ATOM 371 O GLU A 28 -7.540 2.088 -8.139 1.00 0.00 O ATOM 372 CB GLU A 28 -8.488 -0.890 -7.487 1.00 0.00 C ATOM 373 CG GLU A 28 -7.268 -1.600 -8.051 1.00 0.00 C ATOM 374 CD GLU A 28 -6.747 -2.686 -7.131 1.00 0.00 C ATOM 375 OE1 GLU A 28 -7.369 -3.768 -7.080 1.00 0.00 O ATOM 376 OE2 GLU A 28 -5.719 -2.455 -6.461 1.00 0.00 O ATOM 0 H GLU A 28 -9.947 1.293 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.685 -0.016 -5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.066 -1.597 -6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.126 -0.571 -8.311 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.521 -2.038 -9.016 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.478 -0.870 -8.229 1.00 0.00 H new ATOM 383 N ILE A 29 -5.865 1.003 -7.098 1.00 0.00 N ATOM 384 CA ILE A 29 -4.815 1.789 -7.734 1.00 0.00 C ATOM 385 C ILE A 29 -3.616 0.917 -8.091 1.00 0.00 C ATOM 386 O ILE A 29 -3.137 0.135 -7.269 1.00 0.00 O ATOM 387 CB ILE A 29 -4.346 2.941 -6.826 1.00 0.00 C ATOM 388 CG1 ILE A 29 -5.547 3.749 -6.329 1.00 0.00 C ATOM 389 CG2 ILE A 29 -3.369 3.839 -7.571 1.00 0.00 C ATOM 390 CD1 ILE A 29 -5.198 4.747 -5.248 1.00 0.00 C ATOM 0 H ILE A 29 -5.526 0.290 -6.452 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.242 2.207 -8.646 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.834 2.517 -5.962 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.992 4.279 -7.171 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.304 3.063 -5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.047 4.648 -6.916 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.502 3.255 -7.880 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.858 4.257 -8.451 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.097 5.283 -4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.781 4.222 -4.389 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.464 5.456 -5.631 1.00 0.00 H new ATOM 402 N VAL A 30 -3.133 1.058 -9.321 1.00 0.00 N ATOM 403 CA VAL A 30 -1.987 0.286 -9.786 1.00 0.00 C ATOM 404 C VAL A 30 -0.766 1.178 -9.981 1.00 0.00 C ATOM 405 O VAL A 30 -0.806 2.143 -10.745 1.00 0.00 O ATOM 406 CB VAL A 30 -2.298 -0.437 -11.111 1.00 0.00 C ATOM 407 CG1 VAL A 30 -1.120 -1.299 -11.537 1.00 0.00 C ATOM 408 CG2 VAL A 30 -3.561 -1.274 -10.976 1.00 0.00 C ATOM 0 H VAL A 30 -3.518 1.700 -10.014 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.772 -0.456 -9.017 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.467 0.313 -11.884 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.357 -1.802 -12.474 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.240 -0.670 -11.675 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.917 -2.043 -10.767 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.766 -1.778 -11.921 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.423 -2.017 -10.191 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.400 -0.627 -10.720 1.00 0.00 H new ATOM 418 N ILE A 31 0.317 0.848 -9.287 1.00 0.00 N ATOM 419 CA ILE A 31 1.551 1.619 -9.385 1.00 0.00 C ATOM 420 C ILE A 31 2.773 0.724 -9.210 1.00 0.00 C ATOM 421 O ILE A 31 2.817 -0.146 -8.340 1.00 0.00 O ATOM 422 CB ILE A 31 1.597 2.743 -8.333 1.00 0.00 C ATOM 423 CG1 ILE A 31 2.850 3.600 -8.526 1.00 0.00 C ATOM 424 CG2 ILE A 31 1.560 2.158 -6.930 1.00 0.00 C ATOM 425 CD1 ILE A 31 3.131 4.530 -7.367 1.00 0.00 C ATOM 0 H ILE A 31 0.366 0.052 -8.651 1.00 0.00 H new ATOM 0 HA ILE A 31 1.568 2.063 -10.380 1.00 0.00 H new ATOM 0 HB ILE A 31 0.721 3.378 -8.463 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.709 2.945 -8.672 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.740 4.190 -9.436 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.593 2.965 -6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.641 1.586 -6.798 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.419 1.503 -6.786 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.033 5.106 -7.573 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.289 5.210 -7.233 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.273 3.946 -6.458 1.00 0.00 H new ATOM 437 N PRO A 32 3.792 0.942 -10.055 1.00 0.00 N ATOM 438 CA PRO A 32 5.035 0.167 -10.013 1.00 0.00 C ATOM 439 C PRO A 32 5.869 0.475 -8.774 1.00 0.00 C ATOM 440 O PRO A 32 6.181 1.634 -8.496 1.00 0.00 O ATOM 441 CB PRO A 32 5.773 0.611 -11.278 1.00 0.00 C ATOM 442 CG PRO A 32 5.242 1.972 -11.568 1.00 0.00 C ATOM 443 CD PRO A 32 3.808 1.962 -11.117 1.00 0.00 C ATOM 0 HA PRO A 32 4.845 -0.905 -9.968 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.851 0.632 -11.120 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.585 -0.072 -12.106 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.812 2.735 -11.038 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.315 2.201 -12.631 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.498 2.937 -10.742 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.132 1.704 -11.932 1.00 0.00 H new ATOM 451 N PHE A 33 6.227 -0.568 -8.032 1.00 0.00 N ATOM 452 CA PHE A 33 7.024 -0.407 -6.822 1.00 0.00 C ATOM 453 C PHE A 33 8.218 -1.358 -6.828 1.00 0.00 C ATOM 454 O PHE A 33 8.158 -2.446 -7.401 1.00 0.00 O ATOM 455 CB PHE A 33 6.164 -0.658 -5.582 1.00 0.00 C ATOM 456 CG PHE A 33 6.787 -0.159 -4.309 1.00 0.00 C ATOM 457 CD1 PHE A 33 7.167 1.167 -4.182 1.00 0.00 C ATOM 458 CD2 PHE A 33 6.991 -1.017 -3.240 1.00 0.00 C ATOM 459 CE1 PHE A 33 7.740 1.629 -3.013 1.00 0.00 C ATOM 460 CE2 PHE A 33 7.563 -0.560 -2.068 1.00 0.00 C ATOM 461 CZ PHE A 33 7.940 0.764 -1.955 1.00 0.00 C ATOM 0 H PHE A 33 5.978 -1.533 -8.248 1.00 0.00 H new ATOM 0 HA PHE A 33 7.397 0.617 -6.795 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.196 -0.175 -5.717 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.976 -1.728 -5.490 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.014 1.848 -5.006 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.700 -2.054 -3.324 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.031 2.665 -2.926 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.715 -1.238 -1.241 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.390 1.122 -1.041 1.00 0.00 H new ATOM 471 N LYS A 34 9.303 -0.939 -6.185 1.00 0.00 N ATOM 472 CA LYS A 34 10.512 -1.751 -6.114 1.00 0.00 C ATOM 473 C LYS A 34 10.387 -2.819 -5.032 1.00 0.00 C ATOM 474 O LYS A 34 9.785 -2.587 -3.983 1.00 0.00 O ATOM 475 CB LYS A 34 11.729 -0.867 -5.835 1.00 0.00 C ATOM 476 CG LYS A 34 12.380 -0.313 -7.091 1.00 0.00 C ATOM 477 CD LYS A 34 13.721 0.332 -6.787 1.00 0.00 C ATOM 478 CE LYS A 34 14.373 0.884 -8.045 1.00 0.00 C ATOM 479 NZ LYS A 34 15.016 -0.189 -8.853 1.00 0.00 N ATOM 0 H LYS A 34 9.370 -0.041 -5.705 1.00 0.00 H new ATOM 0 HA LYS A 34 10.644 -2.247 -7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.426 -0.037 -5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.467 -1.444 -5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.518 -1.116 -7.815 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.718 0.421 -7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.583 1.136 -6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.382 -0.401 -6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.622 1.393 -8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.120 1.629 -7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.449 0.228 -9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.750 -0.659 -8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.299 -0.887 -9.137 1.00 0.00 H new ATOM 493 N VAL A 35 10.961 -3.989 -5.292 1.00 0.00 N ATOM 494 CA VAL A 35 10.916 -5.091 -4.339 1.00 0.00 C ATOM 495 C VAL A 35 12.053 -4.991 -3.328 1.00 0.00 C ATOM 496 O VAL A 35 12.065 -5.696 -2.320 1.00 0.00 O ATOM 497 CB VAL A 35 10.998 -6.454 -5.053 1.00 0.00 C ATOM 498 CG1 VAL A 35 9.861 -6.602 -6.052 1.00 0.00 C ATOM 499 CG2 VAL A 35 12.346 -6.616 -5.739 1.00 0.00 C ATOM 0 H VAL A 35 11.463 -4.198 -6.155 1.00 0.00 H new ATOM 0 HA VAL A 35 9.962 -5.019 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 35 10.899 -7.242 -4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.935 -7.570 -6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.907 -6.533 -5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.925 -5.808 -6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.386 -7.584 -6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.477 -5.823 -6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.142 -6.557 -4.996 1.00 0.00 H new ATOM 509 N ASP A 36 13.007 -4.109 -3.606 1.00 0.00 N ATOM 510 CA ASP A 36 14.149 -3.914 -2.720 1.00 0.00 C ATOM 511 C ASP A 36 13.979 -2.649 -1.884 1.00 0.00 C ATOM 512 O ASP A 36 14.552 -2.525 -0.801 1.00 0.00 O ATOM 513 CB ASP A 36 15.443 -3.834 -3.531 1.00 0.00 C ATOM 514 CG ASP A 36 15.496 -4.866 -4.640 1.00 0.00 C ATOM 515 OD1 ASP A 36 15.090 -6.021 -4.396 1.00 0.00 O ATOM 516 OD2 ASP A 36 15.942 -4.517 -5.753 1.00 0.00 O ATOM 0 H ASP A 36 13.012 -3.518 -4.437 1.00 0.00 H new ATOM 0 HA ASP A 36 14.204 -4.769 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 36 15.537 -2.837 -3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 36 16.295 -3.976 -2.866 1.00 0.00 H new ATOM 521 N THR A 37 13.188 -1.710 -2.395 1.00 0.00 N ATOM 522 CA THR A 37 12.944 -0.454 -1.698 1.00 0.00 C ATOM 523 C THR A 37 11.871 -0.619 -0.627 1.00 0.00 C ATOM 524 O THR A 37 10.690 -0.778 -0.939 1.00 0.00 O ATOM 525 CB THR A 37 12.513 0.656 -2.675 1.00 0.00 C ATOM 526 OG1 THR A 37 13.596 0.986 -3.550 1.00 0.00 O ATOM 527 CG2 THR A 37 12.068 1.899 -1.919 1.00 0.00 C ATOM 0 H THR A 37 12.706 -1.796 -3.290 1.00 0.00 H new ATOM 0 HA THR A 37 13.883 -0.167 -1.226 1.00 0.00 H new ATOM 0 HB THR A 37 11.672 0.287 -3.262 1.00 0.00 H new ATOM 0 HG1 THR A 37 13.444 1.873 -3.939 1.00 0.00 H new ATOM 0 HG21 THR A 37 11.768 2.669 -2.630 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.224 1.651 -1.275 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.893 2.269 -1.309 1.00 0.00 H new ATOM 535 N ILE A 38 12.288 -0.579 0.633 1.00 0.00 N ATOM 536 CA ILE A 38 11.362 -0.722 1.749 1.00 0.00 C ATOM 537 C ILE A 38 10.014 -0.084 1.430 1.00 0.00 C ATOM 538 O ILE A 38 9.933 0.860 0.643 1.00 0.00 O ATOM 539 CB ILE A 38 11.926 -0.088 3.034 1.00 0.00 C ATOM 540 CG1 ILE A 38 12.127 1.417 2.841 1.00 0.00 C ATOM 541 CG2 ILE A 38 13.235 -0.757 3.425 1.00 0.00 C ATOM 542 CD1 ILE A 38 13.305 1.759 1.955 1.00 0.00 C ATOM 0 H ILE A 38 13.262 -0.449 0.907 1.00 0.00 H new ATOM 0 HA ILE A 38 11.226 -1.791 1.911 1.00 0.00 H new ATOM 0 HB ILE A 38 11.209 -0.239 3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.222 1.844 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 38 12.267 1.885 3.815 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.621 -0.298 4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.063 -1.819 3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.961 -0.634 2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.388 2.842 1.862 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.219 1.362 2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.157 1.320 0.968 1.00 0.00 H new ATOM 554 N LEU A 39 8.959 -0.604 2.047 1.00 0.00 N ATOM 555 CA LEU A 39 7.613 -0.084 1.830 1.00 0.00 C ATOM 556 C LEU A 39 7.486 1.339 2.366 1.00 0.00 C ATOM 557 O LEU A 39 6.569 2.073 1.997 1.00 0.00 O ATOM 558 CB LEU A 39 6.581 -0.989 2.505 1.00 0.00 C ATOM 559 CG LEU A 39 6.593 -2.457 2.076 1.00 0.00 C ATOM 560 CD1 LEU A 39 6.142 -3.351 3.221 1.00 0.00 C ATOM 561 CD2 LEU A 39 5.709 -2.664 0.855 1.00 0.00 C ATOM 0 H LEU A 39 9.009 -1.385 2.701 1.00 0.00 H new ATOM 0 HA LEU A 39 7.425 -0.066 0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.738 -0.945 3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.588 -0.583 2.311 1.00 0.00 H new ATOM 0 HG LEU A 39 7.614 -2.729 1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.157 -4.392 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.816 -3.225 4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.130 -3.078 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.730 -3.714 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.686 -2.374 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.077 -2.052 0.031 1.00 0.00 H new ATOM 573 N LYS A 40 8.414 1.722 3.236 1.00 0.00 N ATOM 574 CA LYS A 40 8.409 3.058 3.821 1.00 0.00 C ATOM 575 C LYS A 40 8.075 4.111 2.769 1.00 0.00 C ATOM 576 O LYS A 40 7.318 5.046 3.032 1.00 0.00 O ATOM 577 CB LYS A 40 9.769 3.365 4.453 1.00 0.00 C ATOM 578 CG LYS A 40 9.699 4.376 5.585 1.00 0.00 C ATOM 579 CD LYS A 40 9.622 5.799 5.058 1.00 0.00 C ATOM 580 CE LYS A 40 10.105 6.803 6.093 1.00 0.00 C ATOM 581 NZ LYS A 40 9.558 8.165 5.841 1.00 0.00 N ATOM 0 H LYS A 40 9.179 1.126 3.552 1.00 0.00 H new ATOM 0 HA LYS A 40 7.641 3.087 4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.202 2.439 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.442 3.741 3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.827 4.169 6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.576 4.270 6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.226 5.887 4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.594 6.029 4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.808 6.471 7.088 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.194 6.841 6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.095 8.863 6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.639 8.390 4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.557 8.195 6.123 1.00 0.00 H new ATOM 595 N TYR A 41 8.643 3.952 1.579 1.00 0.00 N ATOM 596 CA TYR A 41 8.406 4.890 0.488 1.00 0.00 C ATOM 597 C TYR A 41 6.949 4.844 0.037 1.00 0.00 C ATOM 598 O TYR A 41 6.259 5.864 0.021 1.00 0.00 O ATOM 599 CB TYR A 41 9.327 4.576 -0.692 1.00 0.00 C ATOM 600 CG TYR A 41 10.750 5.049 -0.492 1.00 0.00 C ATOM 601 CD1 TYR A 41 11.654 4.299 0.250 1.00 0.00 C ATOM 602 CD2 TYR A 41 11.189 6.245 -1.045 1.00 0.00 C ATOM 603 CE1 TYR A 41 12.954 4.727 0.435 1.00 0.00 C ATOM 604 CE2 TYR A 41 12.488 6.681 -0.866 1.00 0.00 C ATOM 605 CZ TYR A 41 13.366 5.919 -0.124 1.00 0.00 C ATOM 606 OH TYR A 41 14.661 6.348 0.057 1.00 0.00 O ATOM 0 H TYR A 41 9.271 3.183 1.345 1.00 0.00 H new ATOM 0 HA TYR A 41 8.623 5.894 0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.331 3.499 -0.862 1.00 0.00 H new ATOM 0 HB3 TYR A 41 8.922 5.039 -1.592 1.00 0.00 H new ATOM 0 HD1 TYR A 41 11.335 3.366 0.690 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.503 6.845 -1.625 1.00 0.00 H new ATOM 0 HE1 TYR A 41 13.644 4.132 1.014 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.814 7.613 -1.304 1.00 0.00 H new ATOM 0 HH TYR A 41 14.789 7.204 -0.402 1.00 0.00 H new ATOM 616 N LEU A 42 6.488 3.654 -0.330 1.00 0.00 N ATOM 617 CA LEU A 42 5.113 3.472 -0.782 1.00 0.00 C ATOM 618 C LEU A 42 4.124 3.937 0.282 1.00 0.00 C ATOM 619 O LEU A 42 2.946 4.154 -0.001 1.00 0.00 O ATOM 620 CB LEU A 42 4.858 2.003 -1.124 1.00 0.00 C ATOM 621 CG LEU A 42 3.569 1.707 -1.891 1.00 0.00 C ATOM 622 CD1 LEU A 42 3.694 2.156 -3.339 1.00 0.00 C ATOM 623 CD2 LEU A 42 3.233 0.224 -1.818 1.00 0.00 C ATOM 0 H LEU A 42 7.046 2.800 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 42 4.968 4.078 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.699 1.636 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.844 1.432 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 42 2.757 2.267 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.767 1.937 -3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.886 3.228 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.518 1.625 -3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.313 0.032 -2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.046 -0.355 -2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.100 -0.068 -0.776 1.00 0.00 H new ATOM 635 N LYS A 43 4.612 4.091 1.509 1.00 0.00 N ATOM 636 CA LYS A 43 3.773 4.535 2.616 1.00 0.00 C ATOM 637 C LYS A 43 3.640 6.054 2.623 1.00 0.00 C ATOM 638 O LYS A 43 2.536 6.590 2.527 1.00 0.00 O ATOM 639 CB LYS A 43 4.357 4.057 3.948 1.00 0.00 C ATOM 640 CG LYS A 43 3.401 4.206 5.119 1.00 0.00 C ATOM 641 CD LYS A 43 3.668 3.164 6.192 1.00 0.00 C ATOM 642 CE LYS A 43 2.920 1.869 5.910 1.00 0.00 C ATOM 643 NZ LYS A 43 3.447 0.737 6.720 1.00 0.00 N ATOM 0 H LYS A 43 5.584 3.915 1.761 1.00 0.00 H new ATOM 0 HA LYS A 43 2.781 4.102 2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.644 3.009 3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.267 4.619 4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.500 5.204 5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.374 4.111 4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.738 2.963 6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.367 3.555 7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.860 2.007 6.125 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.001 1.626 4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.855 0.018 6.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.182 1.086 7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.673 0.314 7.271 1.00 0.00 H new ATOM 657 N ASP A 44 4.771 6.742 2.735 1.00 0.00 N ATOM 658 CA ASP A 44 4.780 8.201 2.752 1.00 0.00 C ATOM 659 C ASP A 44 4.021 8.762 1.554 1.00 0.00 C ATOM 660 O ASP A 44 3.277 9.736 1.678 1.00 0.00 O ATOM 661 CB ASP A 44 6.218 8.723 2.751 1.00 0.00 C ATOM 662 CG ASP A 44 6.874 8.614 4.113 1.00 0.00 C ATOM 663 OD1 ASP A 44 6.899 7.497 4.672 1.00 0.00 O ATOM 664 OD2 ASP A 44 7.361 9.646 4.621 1.00 0.00 O ATOM 0 H ASP A 44 5.693 6.314 2.815 1.00 0.00 H new ATOM 0 HA ASP A 44 4.282 8.533 3.663 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.804 8.163 2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.223 9.765 2.431 1.00 0.00 H new ATOM 669 N HIS A 45 4.215 8.143 0.393 1.00 0.00 N ATOM 670 CA HIS A 45 3.549 8.582 -0.828 1.00 0.00 C ATOM 671 C HIS A 45 2.059 8.802 -0.585 1.00 0.00 C ATOM 672 O HIS A 45 1.536 9.893 -0.816 1.00 0.00 O ATOM 673 CB HIS A 45 3.749 7.554 -1.941 1.00 0.00 C ATOM 674 CG HIS A 45 3.699 8.143 -3.317 1.00 0.00 C ATOM 675 ND1 HIS A 45 4.819 8.323 -4.101 1.00 0.00 N ATOM 676 CD2 HIS A 45 2.653 8.592 -4.050 1.00 0.00 C ATOM 677 CE1 HIS A 45 4.465 8.859 -5.255 1.00 0.00 C ATOM 678 NE2 HIS A 45 3.155 9.032 -5.250 1.00 0.00 N ATOM 0 H HIS A 45 4.828 7.336 0.273 1.00 0.00 H new ATOM 0 HA HIS A 45 3.993 9.529 -1.134 1.00 0.00 H new ATOM 0 HB2 HIS A 45 4.711 7.061 -1.800 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.981 6.785 -1.856 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.616 8.602 -3.747 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.133 9.113 -6.065 1.00 0.00 H new ATOM 0 HE2 HIS A 45 2.606 9.428 -6.013 1.00 0.00 H new ATOM 687 N PHE A 46 1.380 7.759 -0.118 1.00 0.00 N ATOM 688 CA PHE A 46 -0.051 7.838 0.154 1.00 0.00 C ATOM 689 C PHE A 46 -0.323 8.691 1.390 1.00 0.00 C ATOM 690 O PHE A 46 -1.254 9.495 1.409 1.00 0.00 O ATOM 691 CB PHE A 46 -0.632 6.436 0.349 1.00 0.00 C ATOM 692 CG PHE A 46 -0.889 5.709 -0.939 1.00 0.00 C ATOM 693 CD1 PHE A 46 0.149 5.099 -1.625 1.00 0.00 C ATOM 694 CD2 PHE A 46 -2.169 5.636 -1.465 1.00 0.00 C ATOM 695 CE1 PHE A 46 -0.085 4.429 -2.811 1.00 0.00 C ATOM 696 CE2 PHE A 46 -2.409 4.966 -2.651 1.00 0.00 C ATOM 697 CZ PHE A 46 -1.365 4.363 -3.325 1.00 0.00 C ATOM 0 H PHE A 46 1.797 6.850 0.080 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.534 8.308 -0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.055 5.848 0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.566 6.513 0.906 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.152 5.148 -1.228 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.988 6.108 -0.943 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.733 3.957 -3.335 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.411 4.914 -3.050 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.549 3.841 -4.252 1.00 0.00 H new ATOM 707 N SER A 47 0.497 8.508 2.420 1.00 0.00 N ATOM 708 CA SER A 47 0.343 9.256 3.662 1.00 0.00 C ATOM 709 C SER A 47 0.239 10.753 3.385 1.00 0.00 C ATOM 710 O SER A 47 -0.790 11.375 3.652 1.00 0.00 O ATOM 711 CB SER A 47 1.522 8.980 4.598 1.00 0.00 C ATOM 712 OG SER A 47 1.130 9.085 5.956 1.00 0.00 O ATOM 0 H SER A 47 1.275 7.848 2.419 1.00 0.00 H new ATOM 0 HA SER A 47 -0.578 8.928 4.143 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.917 7.982 4.406 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.327 9.686 4.393 1.00 0.00 H new ATOM 0 HG SER A 47 0.836 10.001 6.142 1.00 0.00 H new ATOM 718 N HIS A 48 1.311 11.325 2.847 1.00 0.00 N ATOM 719 CA HIS A 48 1.341 12.749 2.532 1.00 0.00 C ATOM 720 C HIS A 48 0.153 13.137 1.657 1.00 0.00 C ATOM 721 O HIS A 48 -0.611 14.042 1.997 1.00 0.00 O ATOM 722 CB HIS A 48 2.649 13.109 1.826 1.00 0.00 C ATOM 723 CG HIS A 48 2.579 12.980 0.335 1.00 0.00 C ATOM 724 ND1 HIS A 48 3.108 11.908 -0.353 1.00 0.00 N ATOM 725 CD2 HIS A 48 2.037 13.795 -0.600 1.00 0.00 C ATOM 726 CE1 HIS A 48 2.896 12.070 -1.647 1.00 0.00 C ATOM 727 NE2 HIS A 48 2.248 13.207 -1.823 1.00 0.00 N ATOM 0 H HIS A 48 2.170 10.825 2.620 1.00 0.00 H new ATOM 0 HA HIS A 48 1.277 13.305 3.468 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.921 14.133 2.082 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.444 12.465 2.201 1.00 0.00 H new ATOM 0 HD1 HIS A 48 3.588 11.114 0.071 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.533 14.733 -0.418 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.201 11.389 -2.428 1.00 0.00 H new ATOM 736 N LEU A 49 0.004 12.449 0.531 1.00 0.00 N ATOM 737 CA LEU A 49 -1.091 12.723 -0.393 1.00 0.00 C ATOM 738 C LEU A 49 -2.419 12.826 0.351 1.00 0.00 C ATOM 739 O LEU A 49 -3.075 13.868 0.330 1.00 0.00 O ATOM 740 CB LEU A 49 -1.174 11.625 -1.456 1.00 0.00 C ATOM 741 CG LEU A 49 -2.122 11.894 -2.626 1.00 0.00 C ATOM 742 CD1 LEU A 49 -3.545 12.085 -2.126 1.00 0.00 C ATOM 743 CD2 LEU A 49 -1.663 13.111 -3.415 1.00 0.00 C ATOM 0 H LEU A 49 0.627 11.698 0.236 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.893 13.678 -0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.174 11.458 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.482 10.699 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.105 11.029 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.205 12.275 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.872 11.185 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.579 12.932 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.349 13.287 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.650 13.984 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.661 12.935 -3.805 1.00 0.00 H new ATOM 755 N LEU A 50 -2.808 11.741 1.010 1.00 0.00 N ATOM 756 CA LEU A 50 -4.056 11.710 1.764 1.00 0.00 C ATOM 757 C LEU A 50 -4.094 12.827 2.801 1.00 0.00 C ATOM 758 O LEU A 50 -5.166 13.251 3.233 1.00 0.00 O ATOM 759 CB LEU A 50 -4.226 10.354 2.452 1.00 0.00 C ATOM 760 CG LEU A 50 -4.172 9.127 1.540 1.00 0.00 C ATOM 761 CD1 LEU A 50 -3.839 7.880 2.344 1.00 0.00 C ATOM 762 CD2 LEU A 50 -5.492 8.952 0.803 1.00 0.00 C ATOM 0 H LEU A 50 -2.277 10.870 1.038 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.878 11.861 1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.449 10.253 3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.183 10.352 2.975 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.385 9.280 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.805 7.017 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.869 8.006 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.604 7.722 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.436 8.074 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.297 8.821 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.690 9.835 0.196 1.00 0.00 H new ATOM 774 N GLY A 51 -2.917 13.302 3.196 1.00 0.00 N ATOM 775 CA GLY A 51 -2.838 14.368 4.177 1.00 0.00 C ATOM 776 C GLY A 51 -2.801 13.845 5.599 1.00 0.00 C ATOM 777 O GLY A 51 -2.935 14.612 6.553 1.00 0.00 O ATOM 0 H GLY A 51 -2.016 12.967 2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.946 14.965 3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.695 15.031 4.059 1.00 0.00 H new ATOM 781 N ILE A 52 -2.620 12.536 5.742 1.00 0.00 N ATOM 782 CA ILE A 52 -2.567 11.912 7.058 1.00 0.00 C ATOM 783 C ILE A 52 -1.206 11.273 7.309 1.00 0.00 C ATOM 784 O ILE A 52 -0.508 10.857 6.384 1.00 0.00 O ATOM 785 CB ILE A 52 -3.662 10.840 7.218 1.00 0.00 C ATOM 786 CG1 ILE A 52 -3.538 9.786 6.116 1.00 0.00 C ATOM 787 CG2 ILE A 52 -5.040 11.484 7.191 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.433 8.584 6.327 1.00 0.00 C ATOM 0 H ILE A 52 -2.508 11.888 4.963 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.735 12.703 7.789 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.531 10.348 8.182 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.779 10.244 5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.502 9.452 6.058 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.804 10.715 7.305 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.123 12.201 8.008 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.183 11.999 6.241 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.293 7.878 5.508 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.177 8.101 7.270 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.474 8.906 6.355 1.00 0.00 H new ATOM 800 N PRO A 53 -0.818 11.190 8.590 1.00 0.00 N ATOM 801 CA PRO A 53 0.462 10.600 8.994 1.00 0.00 C ATOM 802 C PRO A 53 0.496 9.090 8.784 1.00 0.00 C ATOM 803 O PRO A 53 -0.528 8.416 8.888 1.00 0.00 O ATOM 804 CB PRO A 53 0.553 10.935 10.484 1.00 0.00 C ATOM 805 CG PRO A 53 -0.861 11.095 10.924 1.00 0.00 C ATOM 806 CD PRO A 53 -1.599 11.666 9.744 1.00 0.00 C ATOM 0 HA PRO A 53 1.293 10.988 8.405 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.053 10.141 11.038 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.125 11.848 10.650 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.287 10.138 11.225 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.929 11.759 11.786 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.629 11.313 9.705 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.637 12.755 9.782 1.00 0.00 H new ATOM 814 N HIS A 54 1.681 8.565 8.488 1.00 0.00 N ATOM 815 CA HIS A 54 1.849 7.133 8.265 1.00 0.00 C ATOM 816 C HIS A 54 1.718 6.361 9.574 1.00 0.00 C ATOM 817 O HIS A 54 1.514 5.147 9.572 1.00 0.00 O ATOM 818 CB HIS A 54 3.209 6.851 7.626 1.00 0.00 C ATOM 819 CG HIS A 54 4.353 7.501 8.341 1.00 0.00 C ATOM 820 ND1 HIS A 54 4.813 7.075 9.569 1.00 0.00 N ATOM 821 CD2 HIS A 54 5.132 8.552 7.993 1.00 0.00 C ATOM 822 CE1 HIS A 54 5.825 7.836 9.946 1.00 0.00 C ATOM 823 NE2 HIS A 54 6.038 8.741 9.007 1.00 0.00 N ATOM 0 H HIS A 54 2.539 9.109 8.397 1.00 0.00 H new ATOM 0 HA HIS A 54 1.062 6.801 7.588 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.373 5.774 7.600 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.194 7.196 6.592 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.055 9.134 7.086 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.383 7.736 10.865 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.758 9.463 9.032 1.00 0.00 H new ATOM 832 N SER A 55 1.837 7.072 10.690 1.00 0.00 N ATOM 833 CA SER A 55 1.737 6.452 12.006 1.00 0.00 C ATOM 834 C SER A 55 0.445 5.651 12.133 1.00 0.00 C ATOM 835 O SER A 55 0.467 4.458 12.435 1.00 0.00 O ATOM 836 CB SER A 55 1.799 7.518 13.102 1.00 0.00 C ATOM 837 OG SER A 55 3.138 7.781 13.483 1.00 0.00 O ATOM 0 H SER A 55 2.003 8.078 10.709 1.00 0.00 H new ATOM 0 HA SER A 55 2.580 5.771 12.124 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.332 8.437 12.747 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.229 7.185 13.970 1.00 0.00 H new ATOM 0 HG SER A 55 3.150 8.467 14.183 1.00 0.00 H new ATOM 843 N VAL A 56 -0.682 6.317 11.898 1.00 0.00 N ATOM 844 CA VAL A 56 -1.985 5.668 11.984 1.00 0.00 C ATOM 845 C VAL A 56 -2.224 4.754 10.788 1.00 0.00 C ATOM 846 O VAL A 56 -2.741 3.646 10.933 1.00 0.00 O ATOM 847 CB VAL A 56 -3.123 6.704 12.061 1.00 0.00 C ATOM 848 CG1 VAL A 56 -3.025 7.511 13.346 1.00 0.00 C ATOM 849 CG2 VAL A 56 -3.095 7.616 10.844 1.00 0.00 C ATOM 0 H VAL A 56 -0.718 7.305 11.647 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.983 5.073 12.897 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.075 6.173 12.067 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.837 8.237 13.382 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.099 6.841 14.203 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.069 8.034 13.375 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.905 8.342 10.914 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.140 8.141 10.804 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.219 7.020 9.940 1.00 0.00 H new ATOM 859 N LEU A 57 -1.843 5.225 9.605 1.00 0.00 N ATOM 860 CA LEU A 57 -2.015 4.450 8.382 1.00 0.00 C ATOM 861 C LEU A 57 -1.079 3.245 8.364 1.00 0.00 C ATOM 862 O LEU A 57 0.111 3.369 8.652 1.00 0.00 O ATOM 863 CB LEU A 57 -1.757 5.329 7.157 1.00 0.00 C ATOM 864 CG LEU A 57 -1.314 4.599 5.888 1.00 0.00 C ATOM 865 CD1 LEU A 57 -2.490 3.873 5.252 1.00 0.00 C ATOM 866 CD2 LEU A 57 -0.690 5.575 4.902 1.00 0.00 C ATOM 0 H LEU A 57 -1.413 6.140 9.468 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.043 4.089 8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.669 5.883 6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.993 6.063 7.415 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.562 3.859 6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.156 3.359 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.892 3.145 5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.265 4.594 4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.381 5.038 4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.420 6.339 4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.179 6.049 5.359 1.00 0.00 H new ATOM 878 N GLN A 58 -1.625 2.083 8.023 1.00 0.00 N ATOM 879 CA GLN A 58 -0.838 0.857 7.966 1.00 0.00 C ATOM 880 C GLN A 58 -1.137 0.076 6.690 1.00 0.00 C ATOM 881 O GLN A 58 -1.978 0.480 5.887 1.00 0.00 O ATOM 882 CB GLN A 58 -1.124 -0.015 9.190 1.00 0.00 C ATOM 883 CG GLN A 58 -0.765 0.651 10.509 1.00 0.00 C ATOM 884 CD GLN A 58 0.706 0.515 10.850 1.00 0.00 C ATOM 885 OE1 GLN A 58 1.560 1.153 10.234 1.00 0.00 O ATOM 886 NE2 GLN A 58 1.010 -0.320 11.837 1.00 0.00 N ATOM 0 H GLN A 58 -2.609 1.964 7.782 1.00 0.00 H new ATOM 0 HA GLN A 58 0.217 1.132 7.963 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.182 -0.276 9.201 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.567 -0.947 9.100 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.027 1.708 10.461 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.362 0.211 11.308 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.270 -0.829 12.321 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.983 -0.453 12.111 1.00 0.00 H new ATOM 895 N ILE A 59 -0.442 -1.042 6.510 1.00 0.00 N ATOM 896 CA ILE A 59 -0.634 -1.879 5.333 1.00 0.00 C ATOM 897 C ILE A 59 -0.792 -3.345 5.720 1.00 0.00 C ATOM 898 O ILE A 59 -0.215 -3.803 6.706 1.00 0.00 O ATOM 899 CB ILE A 59 0.542 -1.743 4.348 1.00 0.00 C ATOM 900 CG1 ILE A 59 0.647 -0.304 3.840 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.374 -2.710 3.185 1.00 0.00 C ATOM 902 CD1 ILE A 59 1.934 -0.017 3.098 1.00 0.00 C ATOM 0 H ILE A 59 0.259 -1.389 7.165 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.547 -1.535 4.846 1.00 0.00 H new ATOM 0 HB ILE A 59 1.465 -1.992 4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.196 -0.097 3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.565 0.378 4.686 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.213 -2.602 2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.344 -3.732 3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.556 -2.490 2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.939 1.022 2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.782 -0.191 3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.009 -0.674 2.232 1.00 0.00 H new ATOM 914 N ARG A 60 -1.577 -4.077 4.936 1.00 0.00 N ATOM 915 CA ARG A 60 -1.810 -5.493 5.197 1.00 0.00 C ATOM 916 C ARG A 60 -1.592 -6.321 3.934 1.00 0.00 C ATOM 917 O ARG A 60 -2.151 -6.022 2.878 1.00 0.00 O ATOM 918 CB ARG A 60 -3.231 -5.709 5.722 1.00 0.00 C ATOM 919 CG ARG A 60 -3.364 -6.912 6.642 1.00 0.00 C ATOM 920 CD ARG A 60 -4.812 -7.354 6.774 1.00 0.00 C ATOM 921 NE ARG A 60 -5.489 -6.688 7.884 1.00 0.00 N ATOM 922 CZ ARG A 60 -6.766 -6.884 8.190 1.00 0.00 C ATOM 923 NH1 ARG A 60 -7.502 -7.723 7.474 1.00 0.00 N ATOM 924 NH2 ARG A 60 -7.311 -6.240 9.215 1.00 0.00 N ATOM 0 H ARG A 60 -2.062 -3.714 4.116 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.096 -5.820 5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.551 -4.815 6.258 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.907 -5.833 4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.765 -7.736 6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.967 -6.664 7.626 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.342 -7.141 5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.849 -8.433 6.922 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.951 -6.037 8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.087 -8.220 6.686 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.483 -7.871 7.712 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.749 -5.594 9.769 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.292 -6.391 9.449 1.00 0.00 H new ATOM 938 N TYR A 61 -0.775 -7.362 4.050 1.00 0.00 N ATOM 939 CA TYR A 61 -0.480 -8.232 2.917 1.00 0.00 C ATOM 940 C TYR A 61 -0.280 -9.673 3.375 1.00 0.00 C ATOM 941 O TYR A 61 0.333 -9.928 4.412 1.00 0.00 O ATOM 942 CB TYR A 61 0.769 -7.741 2.182 1.00 0.00 C ATOM 943 CG TYR A 61 1.312 -8.736 1.181 1.00 0.00 C ATOM 944 CD1 TYR A 61 0.679 -8.941 -0.038 1.00 0.00 C ATOM 945 CD2 TYR A 61 2.460 -9.470 1.455 1.00 0.00 C ATOM 946 CE1 TYR A 61 1.172 -9.850 -0.955 1.00 0.00 C ATOM 947 CE2 TYR A 61 2.961 -10.379 0.544 1.00 0.00 C ATOM 948 CZ TYR A 61 2.313 -10.566 -0.659 1.00 0.00 C ATOM 949 OH TYR A 61 2.808 -11.470 -1.570 1.00 0.00 O ATOM 0 H TYR A 61 -0.305 -7.624 4.917 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.330 -8.201 2.236 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.534 -6.810 1.666 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.545 -7.513 2.913 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.214 -8.381 -0.273 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.969 -9.327 2.397 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.667 -9.999 -1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.855 -10.940 0.772 1.00 0.00 H new ATOM 0 HH TYR A 61 3.617 -11.889 -1.209 1.00 0.00 H new ATOM 959 N SER A 62 -0.803 -10.613 2.593 1.00 0.00 N ATOM 960 CA SER A 62 -0.685 -12.030 2.919 1.00 0.00 C ATOM 961 C SER A 62 -1.248 -12.317 4.307 1.00 0.00 C ATOM 962 O SER A 62 -0.830 -13.260 4.977 1.00 0.00 O ATOM 963 CB SER A 62 0.777 -12.472 2.848 1.00 0.00 C ATOM 964 OG SER A 62 0.882 -13.885 2.817 1.00 0.00 O ATOM 0 H SER A 62 -1.312 -10.419 1.730 1.00 0.00 H new ATOM 0 HA SER A 62 -1.263 -12.595 2.188 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.245 -12.050 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.320 -12.083 3.709 1.00 0.00 H new ATOM 0 HG SER A 62 0.397 -14.266 3.578 1.00 0.00 H new ATOM 970 N GLY A 63 -2.202 -11.494 4.734 1.00 0.00 N ATOM 971 CA GLY A 63 -2.807 -11.675 6.041 1.00 0.00 C ATOM 972 C GLY A 63 -1.840 -11.390 7.173 1.00 0.00 C ATOM 973 O GLY A 63 -2.070 -11.793 8.313 1.00 0.00 O ATOM 0 H GLY A 63 -2.566 -10.706 4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.672 -11.017 6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.174 -12.698 6.130 1.00 0.00 H new ATOM 977 N LYS A 64 -0.753 -10.694 6.858 1.00 0.00 N ATOM 978 CA LYS A 64 0.254 -10.355 7.857 1.00 0.00 C ATOM 979 C LYS A 64 0.544 -8.857 7.851 1.00 0.00 C ATOM 980 O LYS A 64 0.674 -8.245 6.791 1.00 0.00 O ATOM 981 CB LYS A 64 1.544 -11.135 7.595 1.00 0.00 C ATOM 982 CG LYS A 64 2.514 -10.416 6.673 1.00 0.00 C ATOM 983 CD LYS A 64 3.837 -11.156 6.569 1.00 0.00 C ATOM 984 CE LYS A 64 3.746 -12.330 5.607 1.00 0.00 C ATOM 985 NZ LYS A 64 4.857 -13.300 5.810 1.00 0.00 N ATOM 0 H LYS A 64 -0.547 -10.354 5.919 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.137 -10.628 8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.039 -11.332 8.546 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.292 -12.102 7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.071 -10.319 5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.689 -9.406 7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.614 -10.469 6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.133 -11.514 7.555 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.791 -12.838 5.743 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.768 -11.962 4.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.760 -14.086 5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.768 -12.822 5.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.821 -13.671 6.781 1.00 0.00 H new ATOM 999 N ILE A 65 0.644 -8.274 9.041 1.00 0.00 N ATOM 1000 CA ILE A 65 0.921 -6.849 9.172 1.00 0.00 C ATOM 1001 C ILE A 65 2.343 -6.522 8.730 1.00 0.00 C ATOM 1002 O ILE A 65 3.307 -6.814 9.439 1.00 0.00 O ATOM 1003 CB ILE A 65 0.721 -6.367 10.621 1.00 0.00 C ATOM 1004 CG1 ILE A 65 -0.742 -6.528 11.038 1.00 0.00 C ATOM 1005 CG2 ILE A 65 1.162 -4.918 10.763 1.00 0.00 C ATOM 1006 CD1 ILE A 65 -1.721 -5.942 10.045 1.00 0.00 C ATOM 0 H ILE A 65 0.537 -8.766 9.928 1.00 0.00 H new ATOM 0 HA ILE A 65 0.214 -6.330 8.525 1.00 0.00 H new ATOM 0 HB ILE A 65 1.336 -6.980 11.280 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.960 -7.588 11.168 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.890 -6.051 12.007 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.014 -4.592 11.793 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.217 -4.832 10.503 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.571 -4.291 10.096 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.739 -6.092 10.405 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.530 -4.875 9.932 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.601 -6.436 9.081 1.00 0.00 H new ATOM 1018 N LEU A 66 2.468 -5.914 7.556 1.00 0.00 N ATOM 1019 CA LEU A 66 3.773 -5.545 7.020 1.00 0.00 C ATOM 1020 C LEU A 66 4.424 -4.458 7.870 1.00 0.00 C ATOM 1021 O LEU A 66 3.869 -4.032 8.883 1.00 0.00 O ATOM 1022 CB LEU A 66 3.635 -5.064 5.575 1.00 0.00 C ATOM 1023 CG LEU A 66 2.971 -6.039 4.603 1.00 0.00 C ATOM 1024 CD1 LEU A 66 3.056 -5.514 3.178 1.00 0.00 C ATOM 1025 CD2 LEU A 66 3.613 -7.415 4.705 1.00 0.00 C ATOM 0 H LEU A 66 1.681 -5.666 6.957 1.00 0.00 H new ATOM 0 HA LEU A 66 4.411 -6.429 7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.063 -4.136 5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.629 -4.825 5.196 1.00 0.00 H new ATOM 0 HG LEU A 66 1.919 -6.130 4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.578 -6.222 2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.549 -4.551 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.102 -5.392 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.127 -8.096 4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.673 -7.341 4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.499 -7.795 5.720 1.00 0.00 H new ATOM 1037 N LYS A 67 5.602 -4.012 7.450 1.00 0.00 N ATOM 1038 CA LYS A 67 6.328 -2.972 8.169 1.00 0.00 C ATOM 1039 C LYS A 67 6.790 -1.873 7.217 1.00 0.00 C ATOM 1040 O LYS A 67 6.469 -1.892 6.030 1.00 0.00 O ATOM 1041 CB LYS A 67 7.534 -3.572 8.896 1.00 0.00 C ATOM 1042 CG LYS A 67 7.210 -4.089 10.287 1.00 0.00 C ATOM 1043 CD LYS A 67 6.896 -2.953 11.246 1.00 0.00 C ATOM 1044 CE LYS A 67 8.152 -2.447 11.939 1.00 0.00 C ATOM 1045 NZ LYS A 67 7.841 -1.789 13.238 1.00 0.00 N ATOM 0 H LYS A 67 6.075 -4.355 6.614 1.00 0.00 H new ATOM 0 HA LYS A 67 5.651 -2.533 8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.938 -4.389 8.299 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.315 -2.816 8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.359 -4.768 10.235 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.054 -4.665 10.668 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.425 -2.135 10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.179 -3.293 11.993 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.834 -3.280 12.108 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.667 -1.740 11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.723 -1.458 13.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.210 -0.979 13.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.373 -2.470 13.869 1.00 0.00 H new ATOM 1059 N ASN A 68 7.547 -0.917 7.747 1.00 0.00 N ATOM 1060 CA ASN A 68 8.055 0.189 6.944 1.00 0.00 C ATOM 1061 C ASN A 68 9.534 -0.004 6.624 1.00 0.00 C ATOM 1062 O ASN A 68 10.002 0.378 5.553 1.00 0.00 O ATOM 1063 CB ASN A 68 7.849 1.516 7.678 1.00 0.00 C ATOM 1064 CG ASN A 68 6.628 1.496 8.577 1.00 0.00 C ATOM 1065 OD1 ASN A 68 5.510 1.749 8.130 1.00 0.00 O ATOM 1066 ND2 ASN A 68 6.838 1.194 9.853 1.00 0.00 N ATOM 0 H ASN A 68 7.822 -0.886 8.729 1.00 0.00 H new ATOM 0 HA ASN A 68 7.499 0.209 6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.733 1.739 8.275 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.747 2.319 6.949 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.055 1.165 10.506 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.783 0.991 10.180 1.00 0.00 H new ATOM 1073 N ASN A 69 10.263 -0.601 7.561 1.00 0.00 N ATOM 1074 CA ASN A 69 11.689 -0.845 7.380 1.00 0.00 C ATOM 1075 C ASN A 69 11.931 -2.216 6.755 1.00 0.00 C ATOM 1076 O ASN A 69 13.071 -2.593 6.485 1.00 0.00 O ATOM 1077 CB ASN A 69 12.420 -0.747 8.721 1.00 0.00 C ATOM 1078 CG ASN A 69 13.738 -1.497 8.717 1.00 0.00 C ATOM 1079 OD1 ASN A 69 14.770 -0.959 8.314 1.00 0.00 O ATOM 1080 ND2 ASN A 69 13.710 -2.746 9.167 1.00 0.00 N ATOM 0 H ASN A 69 9.890 -0.925 8.453 1.00 0.00 H new ATOM 0 HA ASN A 69 12.079 -0.083 6.705 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.602 0.302 8.956 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.781 -1.144 9.510 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.566 -3.300 9.188 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.832 -3.152 9.491 1.00 0.00 H new ATOM 1087 N GLU A 70 10.850 -2.955 6.527 1.00 0.00 N ATOM 1088 CA GLU A 70 10.945 -4.284 5.935 1.00 0.00 C ATOM 1089 C GLU A 70 11.117 -4.194 4.421 1.00 0.00 C ATOM 1090 O GLU A 70 11.252 -3.104 3.863 1.00 0.00 O ATOM 1091 CB GLU A 70 9.699 -5.107 6.269 1.00 0.00 C ATOM 1092 CG GLU A 70 8.431 -4.583 5.617 1.00 0.00 C ATOM 1093 CD GLU A 70 8.478 -4.661 4.104 1.00 0.00 C ATOM 1094 OE1 GLU A 70 8.232 -5.757 3.558 1.00 0.00 O ATOM 1095 OE2 GLU A 70 8.761 -3.626 3.465 1.00 0.00 O ATOM 0 H GLU A 70 9.899 -2.656 6.743 1.00 0.00 H new ATOM 0 HA GLU A 70 11.821 -4.778 6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.860 -6.138 5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.562 -5.121 7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.577 -5.155 5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.273 -3.548 5.919 1.00 0.00 H new ATOM 1102 N THR A 71 11.112 -5.348 3.761 1.00 0.00 N ATOM 1103 CA THR A 71 11.269 -5.400 2.313 1.00 0.00 C ATOM 1104 C THR A 71 10.464 -6.548 1.714 1.00 0.00 C ATOM 1105 O THR A 71 10.364 -7.624 2.305 1.00 0.00 O ATOM 1106 CB THR A 71 12.748 -5.562 1.913 1.00 0.00 C ATOM 1107 OG1 THR A 71 13.590 -4.940 2.890 1.00 0.00 O ATOM 1108 CG2 THR A 71 13.009 -4.948 0.546 1.00 0.00 C ATOM 0 H THR A 71 11.001 -6.259 4.206 1.00 0.00 H new ATOM 0 HA THR A 71 10.896 -4.454 1.921 1.00 0.00 H new ATOM 0 HB THR A 71 12.974 -6.627 1.864 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.529 -5.048 2.630 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.060 -5.074 0.285 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.388 -5.443 -0.200 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.767 -3.886 0.572 1.00 0.00 H new ATOM 1116 N LEU A 72 9.892 -6.313 0.538 1.00 0.00 N ATOM 1117 CA LEU A 72 9.096 -7.329 -0.142 1.00 0.00 C ATOM 1118 C LEU A 72 9.913 -8.596 -0.374 1.00 0.00 C ATOM 1119 O LEU A 72 9.440 -9.706 -0.128 1.00 0.00 O ATOM 1120 CB LEU A 72 8.579 -6.790 -1.477 1.00 0.00 C ATOM 1121 CG LEU A 72 7.453 -5.759 -1.395 1.00 0.00 C ATOM 1122 CD1 LEU A 72 6.378 -6.219 -0.423 1.00 0.00 C ATOM 1123 CD2 LEU A 72 8.003 -4.402 -0.981 1.00 0.00 C ATOM 0 H LEU A 72 9.965 -5.428 0.036 1.00 0.00 H new ATOM 0 HA LEU A 72 8.248 -7.578 0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.416 -6.342 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.231 -7.632 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 72 7.003 -5.661 -2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.585 -5.473 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.964 -7.169 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.814 -6.346 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.188 -3.680 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.479 -4.485 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.737 -4.068 -1.715 1.00 0.00 H new ATOM 1135 N VAL A 73 11.143 -8.423 -0.846 1.00 0.00 N ATOM 1136 CA VAL A 73 12.027 -9.552 -1.108 1.00 0.00 C ATOM 1137 C VAL A 73 12.225 -10.397 0.146 1.00 0.00 C ATOM 1138 O VAL A 73 12.408 -11.611 0.064 1.00 0.00 O ATOM 1139 CB VAL A 73 13.402 -9.082 -1.619 1.00 0.00 C ATOM 1140 CG1 VAL A 73 13.279 -8.490 -3.015 1.00 0.00 C ATOM 1141 CG2 VAL A 73 14.012 -8.075 -0.656 1.00 0.00 C ATOM 0 H VAL A 73 11.550 -7.511 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 73 11.549 -10.156 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 73 14.065 -9.946 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.260 -8.163 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.888 -9.245 -3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.601 -7.637 -2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 73 14.983 -7.754 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 73 13.353 -7.211 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 73 14.137 -8.538 0.323 1.00 0.00 H new ATOM 1151 N GLN A 74 12.188 -9.746 1.304 1.00 0.00 N ATOM 1152 CA GLN A 74 12.363 -10.438 2.575 1.00 0.00 C ATOM 1153 C GLN A 74 11.158 -11.319 2.886 1.00 0.00 C ATOM 1154 O GLN A 74 11.256 -12.271 3.661 1.00 0.00 O ATOM 1155 CB GLN A 74 12.577 -9.428 3.704 1.00 0.00 C ATOM 1156 CG GLN A 74 14.035 -9.057 3.920 1.00 0.00 C ATOM 1157 CD GLN A 74 14.255 -8.276 5.201 1.00 0.00 C ATOM 1158 OE1 GLN A 74 13.680 -8.595 6.242 1.00 0.00 O ATOM 1159 NE2 GLN A 74 15.090 -7.246 5.131 1.00 0.00 N ATOM 0 H GLN A 74 12.038 -8.741 1.388 1.00 0.00 H new ATOM 0 HA GLN A 74 13.244 -11.075 2.495 1.00 0.00 H new ATOM 0 HB2 GLN A 74 12.009 -8.524 3.484 1.00 0.00 H new ATOM 0 HB3 GLN A 74 12.174 -9.840 4.630 1.00 0.00 H new ATOM 0 HG2 GLN A 74 14.637 -9.965 3.945 1.00 0.00 H new ATOM 0 HG3 GLN A 74 14.385 -8.466 3.074 1.00 0.00 H new ATOM 0 HE21 GLN A 74 15.545 -7.017 4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 74 15.277 -6.683 5.961 1.00 0.00 H new ATOM 1168 N HIS A 75 10.021 -10.995 2.278 1.00 0.00 N ATOM 1169 CA HIS A 75 8.796 -11.758 2.490 1.00 0.00 C ATOM 1170 C HIS A 75 8.638 -12.839 1.425 1.00 0.00 C ATOM 1171 O HIS A 75 8.007 -13.868 1.660 1.00 0.00 O ATOM 1172 CB HIS A 75 7.583 -10.828 2.474 1.00 0.00 C ATOM 1173 CG HIS A 75 7.497 -9.934 3.673 1.00 0.00 C ATOM 1174 ND1 HIS A 75 7.166 -10.392 4.931 1.00 0.00 N ATOM 1175 CD2 HIS A 75 7.703 -8.603 3.800 1.00 0.00 C ATOM 1176 CE1 HIS A 75 7.171 -9.380 5.780 1.00 0.00 C ATOM 1177 NE2 HIS A 75 7.494 -8.283 5.119 1.00 0.00 N ATOM 0 H HIS A 75 9.923 -10.210 1.635 1.00 0.00 H new ATOM 0 HA HIS A 75 8.861 -12.241 3.465 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.619 -10.213 1.575 1.00 0.00 H new ATOM 0 HB3 HIS A 75 6.676 -11.429 2.413 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.980 -7.919 3.011 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.949 -9.439 6.835 1.00 0.00 H new ATOM 0 HE2 HIS A 75 7.575 -7.350 5.523 1.00 0.00 H new ATOM 1186 N GLY A 76 9.216 -12.596 0.252 1.00 0.00 N ATOM 1187 CA GLY A 76 9.126 -13.558 -0.832 1.00 0.00 C ATOM 1188 C GLY A 76 8.398 -13.003 -2.040 1.00 0.00 C ATOM 1189 O GLY A 76 7.334 -13.496 -2.413 1.00 0.00 O ATOM 0 H GLY A 76 9.744 -11.751 0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.130 -13.865 -1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.610 -14.451 -0.479 1.00 0.00 H new ATOM 1193 N VAL A 77 8.972 -11.973 -2.653 1.00 0.00 N ATOM 1194 CA VAL A 77 8.371 -11.350 -3.827 1.00 0.00 C ATOM 1195 C VAL A 77 9.413 -11.102 -4.912 1.00 0.00 C ATOM 1196 O VAL A 77 10.491 -10.573 -4.644 1.00 0.00 O ATOM 1197 CB VAL A 77 7.693 -10.014 -3.467 1.00 0.00 C ATOM 1198 CG1 VAL A 77 7.122 -9.353 -4.713 1.00 0.00 C ATOM 1199 CG2 VAL A 77 6.607 -10.232 -2.424 1.00 0.00 C ATOM 0 H VAL A 77 9.852 -11.552 -2.356 1.00 0.00 H new ATOM 0 HA VAL A 77 7.618 -12.043 -4.203 1.00 0.00 H new ATOM 0 HB VAL A 77 8.444 -9.348 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.647 -8.411 -4.440 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.926 -9.161 -5.424 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.384 -10.013 -5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.139 -9.278 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.855 -10.915 -2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.048 -10.659 -1.523 1.00 0.00 H new ATOM 1209 N LYS A 78 9.083 -11.489 -6.140 1.00 0.00 N ATOM 1210 CA LYS A 78 9.988 -11.308 -7.268 1.00 0.00 C ATOM 1211 C LYS A 78 9.601 -10.079 -8.085 1.00 0.00 C ATOM 1212 O LYS A 78 8.456 -9.629 -8.068 1.00 0.00 O ATOM 1213 CB LYS A 78 9.978 -12.551 -8.161 1.00 0.00 C ATOM 1214 CG LYS A 78 11.002 -13.598 -7.758 1.00 0.00 C ATOM 1215 CD LYS A 78 10.542 -14.999 -8.126 1.00 0.00 C ATOM 1216 CE LYS A 78 11.132 -16.043 -7.191 1.00 0.00 C ATOM 1217 NZ LYS A 78 11.132 -17.400 -7.804 1.00 0.00 N ATOM 0 H LYS A 78 8.195 -11.930 -6.379 1.00 0.00 H new ATOM 0 HA LYS A 78 10.993 -11.159 -6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.984 -12.998 -8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.166 -12.249 -9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.953 -13.386 -8.248 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.177 -13.542 -6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.454 -15.048 -8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.835 -15.221 -9.152 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.153 -15.762 -6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.561 -16.064 -6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.542 -18.083 -7.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.156 -17.679 -8.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.698 -17.387 -8.676 1.00 0.00 H new ATOM 1231 N PRO A 79 10.577 -9.524 -8.818 1.00 0.00 N ATOM 1232 CA PRO A 79 10.361 -8.341 -9.657 1.00 0.00 C ATOM 1233 C PRO A 79 9.487 -8.641 -10.869 1.00 0.00 C ATOM 1234 O PRO A 79 9.488 -9.759 -11.384 1.00 0.00 O ATOM 1235 CB PRO A 79 11.776 -7.957 -10.099 1.00 0.00 C ATOM 1236 CG PRO A 79 12.552 -9.227 -10.030 1.00 0.00 C ATOM 1237 CD PRO A 79 11.966 -10.008 -8.886 1.00 0.00 C ATOM 0 HA PRO A 79 9.838 -7.550 -9.119 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.778 -7.546 -11.109 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.202 -7.196 -9.445 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.473 -9.784 -10.964 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.611 -9.029 -9.865 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.009 -11.082 -9.069 1.00 0.00 H new ATOM 0 HD3 PRO A 79 12.502 -9.821 -7.956 1.00 0.00 H new ATOM 1245 N GLN A 80 8.743 -7.637 -11.320 1.00 0.00 N ATOM 1246 CA GLN A 80 7.864 -7.795 -12.473 1.00 0.00 C ATOM 1247 C GLN A 80 6.773 -8.822 -12.188 1.00 0.00 C ATOM 1248 O GLN A 80 6.398 -9.601 -13.064 1.00 0.00 O ATOM 1249 CB GLN A 80 8.671 -8.217 -13.702 1.00 0.00 C ATOM 1250 CG GLN A 80 9.192 -7.046 -14.519 1.00 0.00 C ATOM 1251 CD GLN A 80 9.579 -7.446 -15.930 1.00 0.00 C ATOM 1252 OE1 GLN A 80 10.311 -8.415 -16.134 1.00 0.00 O ATOM 1253 NE2 GLN A 80 9.090 -6.698 -16.912 1.00 0.00 N ATOM 0 H GLN A 80 8.731 -6.705 -10.905 1.00 0.00 H new ATOM 0 HA GLN A 80 7.390 -6.834 -12.672 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.514 -8.828 -13.380 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.047 -8.844 -14.338 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.428 -6.269 -14.562 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.058 -6.614 -14.017 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.487 -5.904 -16.697 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.317 -6.917 -17.882 1.00 0.00 H new ATOM 1262 N GLU A 81 6.269 -8.818 -10.958 1.00 0.00 N ATOM 1263 CA GLU A 81 5.222 -9.751 -10.559 1.00 0.00 C ATOM 1264 C GLU A 81 3.956 -9.004 -10.148 1.00 0.00 C ATOM 1265 O GLU A 81 3.981 -7.793 -9.927 1.00 0.00 O ATOM 1266 CB GLU A 81 5.706 -10.631 -9.405 1.00 0.00 C ATOM 1267 CG GLU A 81 5.415 -10.048 -8.032 1.00 0.00 C ATOM 1268 CD GLU A 81 5.743 -11.012 -6.908 1.00 0.00 C ATOM 1269 OE1 GLU A 81 6.603 -11.894 -7.113 1.00 0.00 O ATOM 1270 OE2 GLU A 81 5.139 -10.884 -5.822 1.00 0.00 O ATOM 0 H GLU A 81 6.569 -8.179 -10.221 1.00 0.00 H new ATOM 0 HA GLU A 81 4.988 -10.384 -11.415 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.233 -11.610 -9.483 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.780 -10.787 -9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.992 -9.132 -7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.362 -9.773 -7.974 1.00 0.00 H new ATOM 1277 N ILE A 82 2.851 -9.736 -10.048 1.00 0.00 N ATOM 1278 CA ILE A 82 1.576 -9.144 -9.664 1.00 0.00 C ATOM 1279 C ILE A 82 1.143 -9.620 -8.281 1.00 0.00 C ATOM 1280 O ILE A 82 1.139 -10.818 -7.999 1.00 0.00 O ATOM 1281 CB ILE A 82 0.469 -9.481 -10.680 1.00 0.00 C ATOM 1282 CG1 ILE A 82 0.849 -8.966 -12.070 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -0.859 -8.888 -10.234 1.00 0.00 C ATOM 1284 CD1 ILE A 82 0.050 -9.600 -13.188 1.00 0.00 C ATOM 0 H ILE A 82 2.814 -10.739 -10.228 1.00 0.00 H new ATOM 0 HA ILE A 82 1.723 -8.064 -9.645 1.00 0.00 H new ATOM 0 HB ILE A 82 0.361 -10.564 -10.731 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.707 -7.886 -12.100 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.909 -9.153 -12.241 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.631 -9.135 -10.963 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.133 -9.299 -9.262 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.766 -7.805 -10.157 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.372 -9.188 -14.144 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.211 -10.678 -13.184 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.010 -9.391 -13.042 1.00 0.00 H new ATOM 1296 N VAL A 83 0.778 -8.673 -7.423 1.00 0.00 N ATOM 1297 CA VAL A 83 0.340 -8.996 -6.070 1.00 0.00 C ATOM 1298 C VAL A 83 -0.875 -8.165 -5.673 1.00 0.00 C ATOM 1299 O VAL A 83 -1.328 -7.308 -6.432 1.00 0.00 O ATOM 1300 CB VAL A 83 1.465 -8.761 -5.045 1.00 0.00 C ATOM 1301 CG1 VAL A 83 2.767 -9.381 -5.529 1.00 0.00 C ATOM 1302 CG2 VAL A 83 1.641 -7.273 -4.778 1.00 0.00 C ATOM 0 H VAL A 83 0.777 -7.676 -7.640 1.00 0.00 H new ATOM 0 HA VAL A 83 0.071 -10.052 -6.068 1.00 0.00 H new ATOM 0 HB VAL A 83 1.186 -9.244 -4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.550 -9.205 -4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.631 -10.454 -5.664 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.054 -8.929 -6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.440 -7.126 -4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.897 -6.764 -5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.712 -6.862 -4.384 1.00 0.00 H new ATOM 1312 N GLN A 84 -1.399 -8.426 -4.479 1.00 0.00 N ATOM 1313 CA GLN A 84 -2.563 -7.702 -3.982 1.00 0.00 C ATOM 1314 C GLN A 84 -2.345 -7.243 -2.544 1.00 0.00 C ATOM 1315 O GLN A 84 -2.047 -8.050 -1.662 1.00 0.00 O ATOM 1316 CB GLN A 84 -3.811 -8.582 -4.066 1.00 0.00 C ATOM 1317 CG GLN A 84 -5.111 -7.809 -3.911 1.00 0.00 C ATOM 1318 CD GLN A 84 -6.335 -8.696 -4.033 1.00 0.00 C ATOM 1319 OE1 GLN A 84 -6.308 -9.866 -3.651 1.00 0.00 O ATOM 1320 NE2 GLN A 84 -7.417 -8.142 -4.566 1.00 0.00 N ATOM 0 H GLN A 84 -1.036 -9.133 -3.839 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.706 -6.821 -4.607 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.817 -9.099 -5.026 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.759 -9.348 -3.292 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.121 -7.314 -2.940 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -5.157 -7.027 -4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.395 -7.168 -4.869 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.271 -8.690 -4.672 1.00 0.00 H new ATOM 1329 N VAL A 85 -2.495 -5.943 -2.313 1.00 0.00 N ATOM 1330 CA VAL A 85 -2.315 -5.377 -0.981 1.00 0.00 C ATOM 1331 C VAL A 85 -3.486 -4.476 -0.604 1.00 0.00 C ATOM 1332 O VAL A 85 -4.110 -3.860 -1.467 1.00 0.00 O ATOM 1333 CB VAL A 85 -1.008 -4.568 -0.887 1.00 0.00 C ATOM 1334 CG1 VAL A 85 0.182 -5.426 -1.289 1.00 0.00 C ATOM 1335 CG2 VAL A 85 -1.092 -3.319 -1.752 1.00 0.00 C ATOM 0 H VAL A 85 -2.741 -5.261 -3.031 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.266 -6.214 -0.285 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.867 -4.257 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.096 -4.837 -1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.251 -6.287 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.053 -5.770 -2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.160 -2.759 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.257 -3.606 -2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.919 -2.696 -1.412 1.00 0.00 H new ATOM 1345 N GLU A 86 -3.778 -4.405 0.691 1.00 0.00 N ATOM 1346 CA GLU A 86 -4.875 -3.579 1.182 1.00 0.00 C ATOM 1347 C GLU A 86 -4.355 -2.464 2.084 1.00 0.00 C ATOM 1348 O GLU A 86 -3.452 -2.677 2.894 1.00 0.00 O ATOM 1349 CB GLU A 86 -5.886 -4.437 1.945 1.00 0.00 C ATOM 1350 CG GLU A 86 -6.924 -5.095 1.050 1.00 0.00 C ATOM 1351 CD GLU A 86 -6.479 -6.453 0.543 1.00 0.00 C ATOM 1352 OE1 GLU A 86 -5.801 -7.177 1.302 1.00 0.00 O ATOM 1353 OE2 GLU A 86 -6.809 -6.793 -0.613 1.00 0.00 O ATOM 0 H GLU A 86 -3.271 -4.909 1.418 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.369 -3.126 0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.351 -5.210 2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.395 -3.815 2.681 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.857 -5.205 1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.131 -4.444 0.201 1.00 0.00 H new ATOM 1360 N ILE A 87 -4.930 -1.275 1.936 1.00 0.00 N ATOM 1361 CA ILE A 87 -4.525 -0.127 2.737 1.00 0.00 C ATOM 1362 C ILE A 87 -5.661 0.340 3.641 1.00 0.00 C ATOM 1363 O ILE A 87 -6.828 0.319 3.251 1.00 0.00 O ATOM 1364 CB ILE A 87 -4.075 1.048 1.849 1.00 0.00 C ATOM 1365 CG1 ILE A 87 -2.695 0.765 1.252 1.00 0.00 C ATOM 1366 CG2 ILE A 87 -4.056 2.341 2.651 1.00 0.00 C ATOM 1367 CD1 ILE A 87 -2.133 1.921 0.453 1.00 0.00 C ATOM 0 H ILE A 87 -5.677 -1.082 1.269 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.684 -0.451 3.351 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.788 1.160 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.003 0.520 2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.759 -0.113 0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.736 3.162 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -5.056 2.547 3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -3.362 2.241 3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.153 1.649 0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.804 2.152 -0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.036 2.795 1.097 1.00 0.00 H new ATOM 1379 N PHE A 88 -5.310 0.764 4.851 1.00 0.00 N ATOM 1380 CA PHE A 88 -6.300 1.237 5.812 1.00 0.00 C ATOM 1381 C PHE A 88 -5.627 1.963 6.973 1.00 0.00 C ATOM 1382 O PHE A 88 -4.402 1.960 7.095 1.00 0.00 O ATOM 1383 CB PHE A 88 -7.130 0.066 6.341 1.00 0.00 C ATOM 1384 CG PHE A 88 -6.369 -0.838 7.268 1.00 0.00 C ATOM 1385 CD1 PHE A 88 -6.009 -0.408 8.535 1.00 0.00 C ATOM 1386 CD2 PHE A 88 -6.015 -2.118 6.873 1.00 0.00 C ATOM 1387 CE1 PHE A 88 -5.308 -1.237 9.390 1.00 0.00 C ATOM 1388 CE2 PHE A 88 -5.314 -2.952 7.724 1.00 0.00 C ATOM 1389 CZ PHE A 88 -4.961 -2.511 8.984 1.00 0.00 C ATOM 0 H PHE A 88 -4.348 0.790 5.189 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.959 1.938 5.300 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.003 0.457 6.863 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.498 -0.518 5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.279 0.586 8.858 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.290 -2.468 5.889 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.032 -0.889 10.374 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.043 -3.947 7.404 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.414 -3.161 9.651 1.00 0.00 H new ATOM 1399 N SER A 89 -6.437 2.585 7.824 1.00 0.00 N ATOM 1400 CA SER A 89 -5.921 3.319 8.973 1.00 0.00 C ATOM 1401 C SER A 89 -6.376 2.674 10.279 1.00 0.00 C ATOM 1402 O SER A 89 -7.497 2.173 10.381 1.00 0.00 O ATOM 1403 CB SER A 89 -6.382 4.777 8.923 1.00 0.00 C ATOM 1404 OG SER A 89 -5.434 5.633 9.535 1.00 0.00 O ATOM 0 H SER A 89 -7.453 2.595 7.739 1.00 0.00 H new ATOM 0 HA SER A 89 -4.832 3.288 8.933 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.533 5.079 7.886 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.344 4.875 9.427 1.00 0.00 H new ATOM 0 HG SER A 89 -5.869 6.473 9.792 1.00 0.00 H new ATOM 1410 N THR A 90 -5.498 2.690 11.277 1.00 0.00 N ATOM 1411 CA THR A 90 -5.808 2.107 12.577 1.00 0.00 C ATOM 1412 C THR A 90 -6.882 2.912 13.299 1.00 0.00 C ATOM 1413 O THR A 90 -7.704 2.356 14.026 1.00 0.00 O ATOM 1414 CB THR A 90 -4.555 2.026 13.469 1.00 0.00 C ATOM 1415 OG1 THR A 90 -3.755 3.201 13.297 1.00 0.00 O ATOM 1416 CG2 THR A 90 -3.731 0.792 13.135 1.00 0.00 C ATOM 0 H THR A 90 -4.567 3.100 11.210 1.00 0.00 H new ATOM 0 HA THR A 90 -6.178 1.099 12.391 1.00 0.00 H new ATOM 0 HB THR A 90 -4.879 1.956 14.507 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.142 3.072 12.543 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.852 0.757 13.778 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.334 -0.102 13.295 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.417 0.836 12.092 1.00 0.00 H new ATOM 1424 N ASN A 91 -6.869 4.225 13.094 1.00 0.00 N ATOM 1425 CA ASN A 91 -7.842 5.108 13.727 1.00 0.00 C ATOM 1426 C ASN A 91 -8.463 6.055 12.704 1.00 0.00 C ATOM 1427 O ASN A 91 -8.006 7.180 12.506 1.00 0.00 O ATOM 1428 CB ASN A 91 -7.181 5.912 14.847 1.00 0.00 C ATOM 1429 CG ASN A 91 -8.148 6.252 15.964 1.00 0.00 C ATOM 1430 OD1 ASN A 91 -8.630 5.368 16.674 1.00 0.00 O ATOM 1431 ND2 ASN A 91 -8.438 7.538 16.125 1.00 0.00 N ATOM 0 H ASN A 91 -6.195 4.701 12.494 1.00 0.00 H new ATOM 0 HA ASN A 91 -8.633 4.490 14.152 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.345 5.343 15.254 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.769 6.833 14.435 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.083 7.827 16.860 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.015 8.237 15.514 1.00 0.00 H new ATOM 1438 N PRO A 92 -9.531 5.589 12.039 1.00 0.00 N ATOM 1439 CA PRO A 92 -10.239 6.379 11.026 1.00 0.00 C ATOM 1440 C PRO A 92 -11.005 7.548 11.635 1.00 0.00 C ATOM 1441 O PRO A 92 -11.494 8.422 10.918 1.00 0.00 O ATOM 1442 CB PRO A 92 -11.208 5.370 10.404 1.00 0.00 C ATOM 1443 CG PRO A 92 -11.425 4.349 11.466 1.00 0.00 C ATOM 1444 CD PRO A 92 -10.130 4.257 12.224 1.00 0.00 C ATOM 0 HA PRO A 92 -9.554 6.831 10.309 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.145 5.847 10.116 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.788 4.922 9.503 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.243 4.640 12.125 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.692 3.385 11.032 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.296 4.034 13.278 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.488 3.469 11.829 1.00 0.00 H new ATOM 1452 N ASP A 93 -11.106 7.558 12.959 1.00 0.00 N ATOM 1453 CA ASP A 93 -11.812 8.622 13.664 1.00 0.00 C ATOM 1454 C ASP A 93 -10.978 9.899 13.695 1.00 0.00 C ATOM 1455 O ASP A 93 -11.514 11.005 13.613 1.00 0.00 O ATOM 1456 CB ASP A 93 -12.147 8.183 15.090 1.00 0.00 C ATOM 1457 CG ASP A 93 -13.205 9.058 15.732 1.00 0.00 C ATOM 1458 OD1 ASP A 93 -12.836 10.078 16.352 1.00 0.00 O ATOM 1459 OD2 ASP A 93 -14.403 8.725 15.614 1.00 0.00 O ATOM 0 H ASP A 93 -10.708 6.842 13.566 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.739 8.827 13.128 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -12.493 7.150 15.077 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -11.242 8.208 15.697 1.00 0.00 H new ATOM 1464 N LEU A 94 -9.665 9.740 13.816 1.00 0.00 N ATOM 1465 CA LEU A 94 -8.757 10.881 13.859 1.00 0.00 C ATOM 1466 C LEU A 94 -8.224 11.206 12.467 1.00 0.00 C ATOM 1467 O LEU A 94 -8.286 12.351 12.019 1.00 0.00 O ATOM 1468 CB LEU A 94 -7.592 10.595 14.809 1.00 0.00 C ATOM 1469 CG LEU A 94 -7.923 10.621 16.302 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -6.839 9.913 17.100 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -8.095 12.053 16.785 1.00 0.00 C ATOM 0 H LEU A 94 -9.205 8.832 13.886 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.314 11.743 14.225 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.182 9.615 14.565 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.806 11.326 14.619 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.863 10.092 16.456 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.091 9.941 18.160 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.764 8.876 16.772 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.884 10.414 16.940 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.330 12.052 17.849 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.171 12.607 16.618 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.907 12.528 16.234 1.00 0.00 H new ATOM 1483 N TYR A 95 -7.703 10.191 11.787 1.00 0.00 N ATOM 1484 CA TYR A 95 -7.159 10.368 10.446 1.00 0.00 C ATOM 1485 C TYR A 95 -7.764 9.359 9.475 1.00 0.00 C ATOM 1486 O TYR A 95 -7.184 8.313 9.184 1.00 0.00 O ATOM 1487 CB TYR A 95 -5.637 10.223 10.466 1.00 0.00 C ATOM 1488 CG TYR A 95 -4.959 11.093 11.501 1.00 0.00 C ATOM 1489 CD1 TYR A 95 -4.793 10.652 12.808 1.00 0.00 C ATOM 1490 CD2 TYR A 95 -4.485 12.357 11.170 1.00 0.00 C ATOM 1491 CE1 TYR A 95 -4.176 11.445 13.756 1.00 0.00 C ATOM 1492 CE2 TYR A 95 -3.865 13.156 12.112 1.00 0.00 C ATOM 1493 CZ TYR A 95 -3.713 12.695 13.403 1.00 0.00 C ATOM 1494 OH TYR A 95 -3.096 13.487 14.344 1.00 0.00 O ATOM 0 H TYR A 95 -7.646 9.237 12.143 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.417 11.371 10.107 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.382 9.180 10.657 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.244 10.472 9.480 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.152 9.673 13.088 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.603 12.721 10.160 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.057 11.088 14.768 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.502 14.136 11.839 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.828 14.335 13.933 1.00 0.00 H new ATOM 1504 N PRO A 96 -8.960 9.679 8.959 1.00 0.00 N ATOM 1505 CA PRO A 96 -9.671 8.816 8.012 1.00 0.00 C ATOM 1506 C PRO A 96 -8.988 8.764 6.649 1.00 0.00 C ATOM 1507 O PRO A 96 -8.266 9.686 6.270 1.00 0.00 O ATOM 1508 CB PRO A 96 -11.048 9.475 7.895 1.00 0.00 C ATOM 1509 CG PRO A 96 -10.814 10.905 8.239 1.00 0.00 C ATOM 1510 CD PRO A 96 -9.711 10.910 9.261 1.00 0.00 C ATOM 0 HA PRO A 96 -9.706 7.781 8.352 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.452 9.371 6.888 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.765 9.016 8.575 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.530 11.477 7.356 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.719 11.363 8.639 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.083 11.796 9.170 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.105 10.901 10.277 1.00 0.00 H new ATOM 1518 N VAL A 97 -9.222 7.680 5.916 1.00 0.00 N ATOM 1519 CA VAL A 97 -8.631 7.509 4.594 1.00 0.00 C ATOM 1520 C VAL A 97 -9.593 7.955 3.500 1.00 0.00 C ATOM 1521 O VAL A 97 -10.804 7.753 3.604 1.00 0.00 O ATOM 1522 CB VAL A 97 -8.229 6.043 4.345 1.00 0.00 C ATOM 1523 CG1 VAL A 97 -7.576 5.894 2.979 1.00 0.00 C ATOM 1524 CG2 VAL A 97 -7.301 5.551 5.445 1.00 0.00 C ATOM 0 H VAL A 97 -9.817 6.907 6.215 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.738 8.133 4.563 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.130 5.429 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.298 4.852 2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.277 6.205 2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.684 6.518 2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.027 4.514 5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.401 6.166 5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.809 5.620 6.407 1.00 0.00 H new ATOM 1534 N ARG A 98 -9.048 8.560 2.450 1.00 0.00 N ATOM 1535 CA ARG A 98 -9.859 9.035 1.335 1.00 0.00 C ATOM 1536 C ARG A 98 -9.243 8.624 0.001 1.00 0.00 C ATOM 1537 O ARG A 98 -8.085 8.210 -0.058 1.00 0.00 O ATOM 1538 CB ARG A 98 -10.005 10.557 1.394 1.00 0.00 C ATOM 1539 CG ARG A 98 -8.678 11.297 1.367 1.00 0.00 C ATOM 1540 CD ARG A 98 -8.871 12.795 1.545 1.00 0.00 C ATOM 1541 NE ARG A 98 -9.086 13.475 0.271 1.00 0.00 N ATOM 1542 CZ ARG A 98 -9.360 14.770 0.166 1.00 0.00 C ATOM 1543 NH1 ARG A 98 -9.453 15.522 1.254 1.00 0.00 N ATOM 1544 NH2 ARG A 98 -9.542 15.317 -1.029 1.00 0.00 N ATOM 0 H ARG A 98 -8.048 8.733 2.348 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.846 8.579 1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.613 10.888 0.552 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.544 10.827 2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.032 10.916 2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.172 11.104 0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.723 12.975 2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.995 13.217 2.038 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.022 12.925 -0.586 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.314 15.106 2.175 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.664 16.516 1.170 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.472 14.743 -1.869 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.752 16.312 -1.108 1.00 0.00 H new ATOM 1558 N ARG A 99 -10.025 8.741 -1.067 1.00 0.00 N ATOM 1559 CA ARG A 99 -9.558 8.380 -2.400 1.00 0.00 C ATOM 1560 C ARG A 99 -8.573 9.418 -2.930 1.00 0.00 C ATOM 1561 O ARG A 99 -8.604 10.581 -2.526 1.00 0.00 O ATOM 1562 CB ARG A 99 -10.741 8.247 -3.360 1.00 0.00 C ATOM 1563 CG ARG A 99 -11.504 9.545 -3.570 1.00 0.00 C ATOM 1564 CD ARG A 99 -12.964 9.285 -3.906 1.00 0.00 C ATOM 1565 NE ARG A 99 -13.175 9.127 -5.343 1.00 0.00 N ATOM 1566 CZ ARG A 99 -12.991 10.103 -6.224 1.00 0.00 C ATOM 1567 NH1 ARG A 99 -12.593 11.301 -5.819 1.00 0.00 N ATOM 1568 NH2 ARG A 99 -13.204 9.882 -7.515 1.00 0.00 N ATOM 0 H ARG A 99 -10.985 9.083 -1.035 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.046 7.420 -2.331 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.378 7.889 -4.323 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.426 7.491 -2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.440 10.156 -2.669 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.040 10.115 -4.375 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -13.300 8.386 -3.389 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.573 10.111 -3.539 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.480 8.217 -5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.427 11.475 -4.828 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.453 12.049 -6.499 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.509 8.962 -7.831 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.062 10.633 -8.191 1.00 0.00 H new