USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 755 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 82 SER OG : rot 111:sc= 0.391 USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0.456 USER MOD Set 2.1: A 30 CYS SG : rot 30:sc= 0.473 USER MOD Set 2.2: A 33 CYS SG : rot -49:sc= 0.0184 USER MOD Set 2.3: A 64 HIS : no HE2:sc= -6.68! C(o=-6.5!,f=-8!) USER MOD Set 2.4: A 67 CYS SG : rot -154:sc= -0.335 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.186 K(o=0.19,f=-1.6!) USER MOD Single : A 28 SER OG : rot 166:sc= 0.388 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 160:sc= -0.0305 (180deg=-0.246) USER MOD Single : A 39 LYS NZ :NH3+ -141:sc= -0.315 (180deg=-1.51!) USER MOD Single : A 41 GLN : amide:sc= -0.0177 X(o=-0.018,f=-0.44) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -128:sc= 1.2 (180deg=-1.04) USER MOD Single : A 47 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0141) USER MOD Single : A 48 MET CE :methyl -145:sc= -1.23 (180deg=-2.4) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -161:sc= -1.47 (180deg=-2.38) USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 81 TYR OH : rot 66:sc= 1.14 USER MOD Single : A 85 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.11) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -6.06! C(o=-7.1!,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 131 N LYS A 13 17.786 12.780 -3.843 1.00 0.00 N ATOM 132 CA LYS A 13 16.706 13.387 -4.612 1.00 0.00 C ATOM 133 C LYS A 13 15.553 12.406 -4.799 1.00 0.00 C ATOM 134 O LYS A 13 14.996 12.287 -5.891 1.00 0.00 O ATOM 135 CB LYS A 13 17.222 13.850 -5.976 1.00 0.00 C ATOM 136 CG LYS A 13 18.039 15.130 -5.915 1.00 0.00 C ATOM 137 CD LYS A 13 17.149 16.353 -5.777 1.00 0.00 C ATOM 138 CE LYS A 13 17.964 17.607 -5.501 1.00 0.00 C ATOM 139 NZ LYS A 13 18.745 18.035 -6.694 1.00 0.00 N ATOM 0 HA LYS A 13 16.339 14.250 -4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 13 17.833 13.059 -6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.374 14.002 -6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 13 18.728 15.083 -5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 13 18.645 15.219 -6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.570 16.488 -6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.436 16.196 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 13 17.297 18.413 -5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 13 18.644 17.422 -4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 19.287 18.893 -6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 19.400 17.276 -6.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 18.095 18.236 -7.481 1.00 0.00 H new ATOM 153 N THR A 14 15.199 11.704 -3.727 1.00 0.00 N ATOM 154 CA THR A 14 14.112 10.734 -3.774 1.00 0.00 C ATOM 155 C THR A 14 12.899 11.229 -2.994 1.00 0.00 C ATOM 156 O THR A 14 13.037 11.846 -1.937 1.00 0.00 O ATOM 157 CB THR A 14 14.551 9.371 -3.206 1.00 0.00 C ATOM 158 OG1 THR A 14 15.862 9.042 -3.681 1.00 0.00 O ATOM 159 CG2 THR A 14 13.572 8.278 -3.605 1.00 0.00 C ATOM 0 H THR A 14 15.649 11.789 -2.816 1.00 0.00 H new ATOM 0 HA THR A 14 13.842 10.613 -4.823 1.00 0.00 H new ATOM 0 HB THR A 14 14.567 9.443 -2.118 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.135 8.175 -3.314 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.903 7.325 -3.193 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.582 8.517 -3.217 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.529 8.207 -4.692 1.00 0.00 H new ATOM 167 N LEU A 15 11.711 10.956 -3.522 1.00 0.00 N ATOM 168 CA LEU A 15 10.472 11.373 -2.875 1.00 0.00 C ATOM 169 C LEU A 15 10.254 10.610 -1.572 1.00 0.00 C ATOM 170 O LEU A 15 10.420 9.392 -1.519 1.00 0.00 O ATOM 171 CB LEU A 15 9.284 11.153 -3.813 1.00 0.00 C ATOM 172 CG LEU A 15 9.306 11.944 -5.121 1.00 0.00 C ATOM 173 CD1 LEU A 15 8.457 11.254 -6.177 1.00 0.00 C ATOM 174 CD2 LEU A 15 8.822 13.368 -4.891 1.00 0.00 C ATOM 0 H LEU A 15 11.580 10.448 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 15 10.552 12.435 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.229 10.092 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.370 11.405 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 15 10.334 11.985 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.485 11.832 -7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.849 10.254 -6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.428 11.181 -5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.844 13.916 -5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.802 13.348 -4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.472 13.861 -4.168 1.00 0.00 H new ATOM 186 N GLY A 16 9.879 11.335 -0.522 1.00 0.00 N ATOM 187 CA GLY A 16 9.643 10.709 0.765 1.00 0.00 C ATOM 188 C GLY A 16 8.242 10.142 0.886 1.00 0.00 C ATOM 189 O GLY A 16 8.063 8.990 1.282 1.00 0.00 O ATOM 0 H GLY A 16 9.735 12.345 -0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.369 9.910 0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.805 11.441 1.557 1.00 0.00 H new ATOM 193 N ASP A 17 7.246 10.953 0.545 1.00 0.00 N ATOM 194 CA ASP A 17 5.854 10.526 0.617 1.00 0.00 C ATOM 195 C ASP A 17 5.674 9.149 -0.013 1.00 0.00 C ATOM 196 O ASP A 17 4.943 8.306 0.509 1.00 0.00 O ATOM 197 CB ASP A 17 4.949 11.542 -0.081 1.00 0.00 C ATOM 198 CG ASP A 17 5.363 12.974 0.198 1.00 0.00 C ATOM 199 OD1 ASP A 17 5.252 13.406 1.364 1.00 0.00 O ATOM 200 OD2 ASP A 17 5.797 13.662 -0.750 1.00 0.00 O ATOM 0 H ASP A 17 7.377 11.910 0.216 1.00 0.00 H new ATOM 0 HA ASP A 17 5.574 10.464 1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.969 11.364 -1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.920 11.394 0.247 1.00 0.00 H new ATOM 205 N PHE A 18 6.345 8.927 -1.139 1.00 0.00 N ATOM 206 CA PHE A 18 6.258 7.652 -1.842 1.00 0.00 C ATOM 207 C PHE A 18 7.500 6.804 -1.587 1.00 0.00 C ATOM 208 O PHE A 18 8.627 7.289 -1.687 1.00 0.00 O ATOM 209 CB PHE A 18 6.085 7.885 -3.344 1.00 0.00 C ATOM 210 CG PHE A 18 4.958 8.820 -3.680 1.00 0.00 C ATOM 211 CD1 PHE A 18 5.179 10.184 -3.778 1.00 0.00 C ATOM 212 CD2 PHE A 18 3.679 8.334 -3.899 1.00 0.00 C ATOM 213 CE1 PHE A 18 4.144 11.047 -4.087 1.00 0.00 C ATOM 214 CE2 PHE A 18 2.640 9.192 -4.208 1.00 0.00 C ATOM 215 CZ PHE A 18 2.873 10.550 -4.303 1.00 0.00 C ATOM 0 H PHE A 18 6.955 9.613 -1.584 1.00 0.00 H new ATOM 0 HA PHE A 18 5.389 7.115 -1.462 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.013 8.287 -3.750 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.910 6.927 -3.834 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.171 10.578 -3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.492 7.273 -3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.329 12.109 -4.159 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.647 8.801 -4.375 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.063 11.222 -4.546 1.00 0.00 H new ATOM 225 N ALA A 19 7.286 5.535 -1.256 1.00 0.00 N ATOM 226 CA ALA A 19 8.387 4.619 -0.988 1.00 0.00 C ATOM 227 C ALA A 19 8.054 3.207 -1.459 1.00 0.00 C ATOM 228 O ALA A 19 6.999 2.666 -1.131 1.00 0.00 O ATOM 229 CB ALA A 19 8.722 4.616 0.496 1.00 0.00 C ATOM 0 H ALA A 19 6.359 5.118 -1.167 1.00 0.00 H new ATOM 0 HA ALA A 19 9.258 4.964 -1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.546 3.927 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.011 5.620 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.849 4.298 1.066 1.00 0.00 H new ATOM 235 N ALA A 20 8.960 2.617 -2.232 1.00 0.00 N ATOM 236 CA ALA A 20 8.763 1.268 -2.747 1.00 0.00 C ATOM 237 C ALA A 20 9.788 0.302 -2.163 1.00 0.00 C ATOM 238 O ALA A 20 10.993 0.532 -2.255 1.00 0.00 O ATOM 239 CB ALA A 20 8.840 1.267 -4.267 1.00 0.00 C ATOM 0 H ALA A 20 9.838 3.053 -2.515 1.00 0.00 H new ATOM 0 HA ALA A 20 7.772 0.931 -2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.691 0.253 -4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.065 1.919 -4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.819 1.629 -4.582 1.00 0.00 H new ATOM 245 N GLU A 21 9.300 -0.779 -1.563 1.00 0.00 N ATOM 246 CA GLU A 21 10.176 -1.779 -0.963 1.00 0.00 C ATOM 247 C GLU A 21 9.466 -3.126 -0.850 1.00 0.00 C ATOM 248 O GLU A 21 8.241 -3.204 -0.941 1.00 0.00 O ATOM 249 CB GLU A 21 10.641 -1.318 0.420 1.00 0.00 C ATOM 250 CG GLU A 21 9.502 -1.074 1.396 1.00 0.00 C ATOM 251 CD GLU A 21 9.926 -0.243 2.591 1.00 0.00 C ATOM 252 OE1 GLU A 21 11.105 -0.339 2.991 1.00 0.00 O ATOM 253 OE2 GLU A 21 9.079 0.503 3.126 1.00 0.00 O ATOM 0 H GLU A 21 8.304 -0.985 -1.479 1.00 0.00 H new ATOM 0 HA GLU A 21 11.045 -1.898 -1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.311 -2.069 0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.219 -0.400 0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.687 -0.569 0.878 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.115 -2.032 1.743 1.00 0.00 H new ATOM 260 N TYR A 22 10.245 -4.183 -0.651 1.00 0.00 N ATOM 261 CA TYR A 22 9.693 -5.527 -0.528 1.00 0.00 C ATOM 262 C TYR A 22 8.896 -5.673 0.765 1.00 0.00 C ATOM 263 O TYR A 22 9.215 -5.050 1.777 1.00 0.00 O ATOM 264 CB TYR A 22 10.814 -6.567 -0.569 1.00 0.00 C ATOM 265 CG TYR A 22 11.585 -6.575 -1.870 1.00 0.00 C ATOM 266 CD1 TYR A 22 10.989 -6.997 -3.052 1.00 0.00 C ATOM 267 CD2 TYR A 22 12.910 -6.159 -1.917 1.00 0.00 C ATOM 268 CE1 TYR A 22 11.690 -7.006 -4.242 1.00 0.00 C ATOM 269 CE2 TYR A 22 13.619 -6.164 -3.103 1.00 0.00 C ATOM 270 CZ TYR A 22 13.004 -6.589 -4.262 1.00 0.00 C ATOM 271 OH TYR A 22 13.706 -6.595 -5.446 1.00 0.00 O ATOM 0 H TYR A 22 11.261 -4.135 -0.571 1.00 0.00 H new ATOM 0 HA TYR A 22 9.020 -5.694 -1.369 1.00 0.00 H new ATOM 0 HB2 TYR A 22 11.505 -6.377 0.252 1.00 0.00 H new ATOM 0 HB3 TYR A 22 10.387 -7.556 -0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.960 -7.324 -3.040 1.00 0.00 H new ATOM 0 HD2 TYR A 22 13.394 -5.826 -1.011 1.00 0.00 H new ATOM 0 HE1 TYR A 22 11.212 -7.338 -5.152 1.00 0.00 H new ATOM 0 HE2 TYR A 22 14.648 -5.837 -3.122 1.00 0.00 H new ATOM 0 HH TYR A 22 13.089 -6.446 -6.193 1.00 0.00 H new ATOM 281 N ALA A 23 7.857 -6.500 0.721 1.00 0.00 N ATOM 282 CA ALA A 23 7.015 -6.731 1.889 1.00 0.00 C ATOM 283 C ALA A 23 7.801 -7.407 3.007 1.00 0.00 C ATOM 284 O ALA A 23 8.666 -8.246 2.753 1.00 0.00 O ATOM 285 CB ALA A 23 5.805 -7.571 1.509 1.00 0.00 C ATOM 0 H ALA A 23 7.578 -7.021 -0.110 1.00 0.00 H new ATOM 0 HA ALA A 23 6.671 -5.764 2.256 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.185 -7.736 2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.224 -7.049 0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.138 -8.531 1.115 1.00 0.00 H new ATOM 291 N LYS A 24 7.495 -7.037 4.246 1.00 0.00 N ATOM 292 CA LYS A 24 8.172 -7.608 5.405 1.00 0.00 C ATOM 293 C LYS A 24 7.335 -8.719 6.031 1.00 0.00 C ATOM 294 O LYS A 24 7.862 -9.760 6.422 1.00 0.00 O ATOM 295 CB LYS A 24 8.454 -6.520 6.443 1.00 0.00 C ATOM 296 CG LYS A 24 9.340 -6.985 7.586 1.00 0.00 C ATOM 297 CD LYS A 24 10.813 -6.851 7.239 1.00 0.00 C ATOM 298 CE LYS A 24 11.261 -5.398 7.264 1.00 0.00 C ATOM 299 NZ LYS A 24 12.734 -5.268 7.083 1.00 0.00 N ATOM 0 H LYS A 24 6.782 -6.344 4.474 1.00 0.00 H new ATOM 0 HA LYS A 24 9.117 -8.035 5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.928 -5.672 5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.508 -6.164 6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.121 -6.400 8.479 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.114 -8.025 7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.409 -7.429 7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.995 -7.272 6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.748 -4.846 6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.970 -4.945 8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.999 -4.263 7.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.224 -5.773 7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.009 -5.678 6.167 1.00 0.00 H new ATOM 313 N SER A 25 6.029 -8.490 6.121 1.00 0.00 N ATOM 314 CA SER A 25 5.119 -9.471 6.702 1.00 0.00 C ATOM 315 C SER A 25 3.874 -9.636 5.836 1.00 0.00 C ATOM 316 O SER A 25 3.436 -8.696 5.174 1.00 0.00 O ATOM 317 CB SER A 25 4.719 -9.051 8.117 1.00 0.00 C ATOM 318 OG SER A 25 5.766 -9.300 9.039 1.00 0.00 O ATOM 0 H SER A 25 5.577 -7.634 5.799 1.00 0.00 H new ATOM 0 HA SER A 25 5.637 -10.429 6.748 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.466 -7.991 8.127 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.825 -9.595 8.422 1.00 0.00 H new ATOM 0 HG SER A 25 5.486 -9.021 9.936 1.00 0.00 H new ATOM 324 N ASN A 26 3.308 -10.839 5.848 1.00 0.00 N ATOM 325 CA ASN A 26 2.113 -11.129 5.064 1.00 0.00 C ATOM 326 C ASN A 26 0.856 -10.672 5.799 1.00 0.00 C ATOM 327 O ASN A 26 -0.152 -11.379 5.824 1.00 0.00 O ATOM 328 CB ASN A 26 2.026 -12.626 4.764 1.00 0.00 C ATOM 329 CG ASN A 26 2.181 -13.476 6.010 1.00 0.00 C ATOM 330 OD1 ASN A 26 3.290 -13.671 6.508 1.00 0.00 O ATOM 331 ND2 ASN A 26 1.066 -13.987 6.520 1.00 0.00 N ATOM 0 H ASN A 26 3.658 -11.628 6.392 1.00 0.00 H new ATOM 0 HA ASN A 26 2.183 -10.580 4.125 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.066 -12.845 4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.800 -12.895 4.045 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.108 -14.567 7.358 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.168 -13.799 6.074 1.00 0.00 H new ATOM 338 N ARG A 27 0.924 -9.486 6.395 1.00 0.00 N ATOM 339 CA ARG A 27 -0.208 -8.935 7.131 1.00 0.00 C ATOM 340 C ARG A 27 -0.825 -7.760 6.379 1.00 0.00 C ATOM 341 O ARG A 27 -2.004 -7.785 6.028 1.00 0.00 O ATOM 342 CB ARG A 27 0.233 -8.488 8.526 1.00 0.00 C ATOM 343 CG ARG A 27 0.555 -9.641 9.462 1.00 0.00 C ATOM 344 CD ARG A 27 -0.710 -10.267 10.029 1.00 0.00 C ATOM 345 NE ARG A 27 -0.413 -11.357 10.955 1.00 0.00 N ATOM 346 CZ ARG A 27 -1.296 -11.852 11.815 1.00 0.00 C ATOM 347 NH1 ARG A 27 -2.525 -11.357 11.867 1.00 0.00 N ATOM 348 NH2 ARG A 27 -0.950 -12.844 12.626 1.00 0.00 N ATOM 0 H ARG A 27 1.751 -8.888 6.383 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.961 -9.717 7.229 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.112 -7.851 8.433 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.556 -7.880 8.970 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.128 -10.397 8.926 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.183 -9.284 10.278 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.294 -9.503 10.543 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.326 -10.643 9.212 1.00 0.00 H new ATOM 0 HE ARG A 27 0.524 -11.760 10.940 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.794 -10.594 11.246 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.201 -11.739 12.528 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.005 -13.227 12.589 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.629 -13.223 13.286 1.00 0.00 H new ATOM 362 N SER A 28 -0.019 -6.731 6.136 1.00 0.00 N ATOM 363 CA SER A 28 -0.487 -5.544 5.429 1.00 0.00 C ATOM 364 C SER A 28 -1.451 -5.923 4.309 1.00 0.00 C ATOM 365 O SER A 28 -1.295 -6.960 3.663 1.00 0.00 O ATOM 366 CB SER A 28 0.699 -4.766 4.856 1.00 0.00 C ATOM 367 OG SER A 28 0.394 -3.387 4.737 1.00 0.00 O ATOM 0 H SER A 28 0.961 -6.695 6.418 1.00 0.00 H new ATOM 0 HA SER A 28 -1.017 -4.912 6.142 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.568 -4.895 5.501 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.964 -5.169 3.879 1.00 0.00 H new ATOM 0 HG SER A 28 1.220 -2.881 4.587 1.00 0.00 H new ATOM 373 N THR A 29 -2.449 -5.075 4.083 1.00 0.00 N ATOM 374 CA THR A 29 -3.440 -5.320 3.042 1.00 0.00 C ATOM 375 C THR A 29 -3.705 -4.059 2.228 1.00 0.00 C ATOM 376 O THR A 29 -3.811 -2.962 2.779 1.00 0.00 O ATOM 377 CB THR A 29 -4.769 -5.821 3.639 1.00 0.00 C ATOM 378 OG1 THR A 29 -4.519 -6.876 4.573 1.00 0.00 O ATOM 379 CG2 THR A 29 -5.700 -6.316 2.543 1.00 0.00 C ATOM 0 H THR A 29 -2.593 -4.212 4.607 1.00 0.00 H new ATOM 0 HA THR A 29 -3.030 -6.091 2.390 1.00 0.00 H new ATOM 0 HB THR A 29 -5.249 -4.988 4.153 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.368 -7.188 4.949 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.632 -6.665 2.987 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.911 -5.502 1.850 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.225 -7.137 2.005 1.00 0.00 H new ATOM 387 N CYS A 30 -3.811 -4.220 0.913 1.00 0.00 N ATOM 388 CA CYS A 30 -4.064 -3.095 0.022 1.00 0.00 C ATOM 389 C CYS A 30 -5.493 -2.584 0.183 1.00 0.00 C ATOM 390 O CYS A 30 -6.385 -3.321 0.604 1.00 0.00 O ATOM 391 CB CYS A 30 -3.818 -3.504 -1.432 1.00 0.00 C ATOM 392 SG CYS A 30 -4.008 -2.144 -2.629 1.00 0.00 S ATOM 0 H CYS A 30 -3.725 -5.120 0.441 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.377 -2.291 0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.811 -3.912 -1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.509 -4.305 -1.695 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.688 -1.019 -2.062 1.00 0.00 H new ATOM 397 N LYS A 31 -5.703 -1.316 -0.155 1.00 0.00 N ATOM 398 CA LYS A 31 -7.023 -0.705 -0.050 1.00 0.00 C ATOM 399 C LYS A 31 -7.678 -0.587 -1.422 1.00 0.00 C ATOM 400 O LYS A 31 -8.903 -0.593 -1.538 1.00 0.00 O ATOM 401 CB LYS A 31 -6.917 0.678 0.598 1.00 0.00 C ATOM 402 CG LYS A 31 -8.235 1.430 0.643 1.00 0.00 C ATOM 403 CD LYS A 31 -9.070 1.020 1.845 1.00 0.00 C ATOM 404 CE LYS A 31 -10.360 1.823 1.928 1.00 0.00 C ATOM 405 NZ LYS A 31 -10.126 3.193 2.463 1.00 0.00 N ATOM 0 H LYS A 31 -4.976 -0.692 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.644 -1.346 0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.537 0.566 1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.187 1.273 0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.042 2.502 0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.795 1.239 -0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.305 -0.042 1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.491 1.164 2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.810 1.892 0.937 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.073 1.301 2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.028 3.708 2.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.720 3.128 3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.466 3.701 1.840 1.00 0.00 H new ATOM 419 N GLY A 32 -6.854 -0.480 -2.460 1.00 0.00 N ATOM 420 CA GLY A 32 -7.372 -0.363 -3.810 1.00 0.00 C ATOM 421 C GLY A 32 -8.129 -1.601 -4.250 1.00 0.00 C ATOM 422 O GLY A 32 -9.223 -1.504 -4.807 1.00 0.00 O ATOM 0 H GLY A 32 -5.836 -0.472 -2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.032 0.503 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.546 -0.182 -4.498 1.00 0.00 H new ATOM 426 N CYS A 33 -7.545 -2.768 -4.001 1.00 0.00 N ATOM 427 CA CYS A 33 -8.169 -4.031 -4.376 1.00 0.00 C ATOM 428 C CYS A 33 -8.730 -4.747 -3.151 1.00 0.00 C ATOM 429 O CYS A 33 -9.631 -5.578 -3.262 1.00 0.00 O ATOM 430 CB CYS A 33 -7.158 -4.932 -5.089 1.00 0.00 C ATOM 431 SG CYS A 33 -5.592 -5.152 -4.184 1.00 0.00 S ATOM 0 H CYS A 33 -6.640 -2.865 -3.541 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.993 -3.812 -5.055 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.611 -5.910 -5.253 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.942 -4.512 -6.071 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.141 -3.992 -3.809 1.00 0.00 H new ATOM 436 N MET A 34 -8.189 -4.418 -1.982 1.00 0.00 N ATOM 437 CA MET A 34 -8.636 -5.028 -0.735 1.00 0.00 C ATOM 438 C MET A 34 -8.209 -6.490 -0.661 1.00 0.00 C ATOM 439 O MET A 34 -9.012 -7.365 -0.340 1.00 0.00 O ATOM 440 CB MET A 34 -10.157 -4.922 -0.607 1.00 0.00 C ATOM 441 CG MET A 34 -10.698 -3.536 -0.917 1.00 0.00 C ATOM 442 SD MET A 34 -10.762 -2.474 0.540 1.00 0.00 S ATOM 443 CE MET A 34 -12.352 -2.933 1.224 1.00 0.00 C ATOM 0 H MET A 34 -7.441 -3.733 -1.872 1.00 0.00 H new ATOM 0 HA MET A 34 -8.170 -4.490 0.091 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.621 -5.643 -1.280 1.00 0.00 H new ATOM 0 HB3 MET A 34 -10.448 -5.198 0.406 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.072 -3.067 -1.676 1.00 0.00 H new ATOM 0 HG3 MET A 34 -11.698 -3.627 -1.340 1.00 0.00 H new ATOM 0 HE1 MET A 34 -12.536 -2.360 2.132 1.00 0.00 H new ATOM 0 HE2 MET A 34 -13.136 -2.722 0.496 1.00 0.00 H new ATOM 0 HE3 MET A 34 -12.353 -3.997 1.460 1.00 0.00 H new ATOM 453 N GLU A 35 -6.939 -6.747 -0.962 1.00 0.00 N ATOM 454 CA GLU A 35 -6.407 -8.104 -0.930 1.00 0.00 C ATOM 455 C GLU A 35 -5.093 -8.156 -0.156 1.00 0.00 C ATOM 456 O GLU A 35 -4.252 -7.265 -0.277 1.00 0.00 O ATOM 457 CB GLU A 35 -6.194 -8.626 -2.353 1.00 0.00 C ATOM 458 CG GLU A 35 -4.815 -8.319 -2.913 1.00 0.00 C ATOM 459 CD GLU A 35 -4.739 -8.516 -4.415 1.00 0.00 C ATOM 460 OE1 GLU A 35 -5.779 -8.360 -5.088 1.00 0.00 O ATOM 461 OE2 GLU A 35 -3.638 -8.827 -4.916 1.00 0.00 O ATOM 0 H GLU A 35 -6.261 -6.034 -1.230 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.133 -8.739 -0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.349 -9.705 -2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.948 -8.190 -3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.549 -7.290 -2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.079 -8.960 -2.428 1.00 0.00 H new ATOM 468 N LYS A 36 -4.924 -9.205 0.642 1.00 0.00 N ATOM 469 CA LYS A 36 -3.713 -9.375 1.436 1.00 0.00 C ATOM 470 C LYS A 36 -2.467 -9.190 0.576 1.00 0.00 C ATOM 471 O LYS A 36 -2.496 -9.421 -0.633 1.00 0.00 O ATOM 472 CB LYS A 36 -3.695 -10.760 2.086 1.00 0.00 C ATOM 473 CG LYS A 36 -3.341 -11.880 1.123 1.00 0.00 C ATOM 474 CD LYS A 36 -4.328 -11.957 -0.030 1.00 0.00 C ATOM 475 CE LYS A 36 -4.340 -13.340 -0.661 1.00 0.00 C ATOM 476 NZ LYS A 36 -4.966 -14.353 0.233 1.00 0.00 N ATOM 0 H LYS A 36 -5.611 -9.950 0.756 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.711 -8.614 2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.978 -10.758 2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.675 -10.961 2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.336 -11.721 0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.329 -12.830 1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.328 -11.711 0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.067 -11.214 -0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.884 -13.304 -1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.319 -13.642 -0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.264 -15.176 -0.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.277 -14.655 0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.795 -13.936 0.703 1.00 0.00 H new ATOM 490 N ILE A 37 -1.375 -8.773 1.208 1.00 0.00 N ATOM 491 CA ILE A 37 -0.118 -8.560 0.500 1.00 0.00 C ATOM 492 C ILE A 37 0.900 -9.640 0.849 1.00 0.00 C ATOM 493 O ILE A 37 1.368 -9.721 1.984 1.00 0.00 O ATOM 494 CB ILE A 37 0.483 -7.179 0.824 1.00 0.00 C ATOM 495 CG1 ILE A 37 -0.458 -6.067 0.358 1.00 0.00 C ATOM 496 CG2 ILE A 37 1.850 -7.032 0.173 1.00 0.00 C ATOM 497 CD1 ILE A 37 -0.045 -4.690 0.828 1.00 0.00 C ATOM 0 H ILE A 37 -1.335 -8.576 2.208 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.344 -8.608 -0.565 1.00 0.00 H new ATOM 0 HB ILE A 37 0.605 -7.096 1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.502 -6.072 -0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.464 -6.279 0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.263 -6.051 0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.517 -7.807 0.549 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.751 -7.132 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.757 -3.951 0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.028 -4.667 1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.949 -4.458 0.445 1.00 0.00 H new ATOM 509 N GLU A 38 1.238 -10.467 -0.136 1.00 0.00 N ATOM 510 CA GLU A 38 2.202 -11.542 0.068 1.00 0.00 C ATOM 511 C GLU A 38 3.525 -10.994 0.596 1.00 0.00 C ATOM 512 O GLU A 38 3.945 -9.896 0.231 1.00 0.00 O ATOM 513 CB GLU A 38 2.437 -12.301 -1.240 1.00 0.00 C ATOM 514 CG GLU A 38 1.181 -12.939 -1.807 1.00 0.00 C ATOM 515 CD GLU A 38 1.484 -14.105 -2.728 1.00 0.00 C ATOM 516 OE1 GLU A 38 1.945 -15.152 -2.228 1.00 0.00 O ATOM 517 OE2 GLU A 38 1.259 -13.971 -3.949 1.00 0.00 O ATOM 0 H GLU A 38 0.859 -10.413 -1.081 1.00 0.00 H new ATOM 0 HA GLU A 38 1.791 -12.228 0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.851 -11.615 -1.979 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.184 -13.077 -1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.551 -13.283 -0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.611 -12.188 -2.354 1.00 0.00 H new ATOM 524 N LYS A 39 4.177 -11.767 1.458 1.00 0.00 N ATOM 525 CA LYS A 39 5.452 -11.361 2.037 1.00 0.00 C ATOM 526 C LYS A 39 6.571 -11.451 1.004 1.00 0.00 C ATOM 527 O LYS A 39 6.733 -12.473 0.337 1.00 0.00 O ATOM 528 CB LYS A 39 5.788 -12.237 3.246 1.00 0.00 C ATOM 529 CG LYS A 39 6.716 -11.566 4.244 1.00 0.00 C ATOM 530 CD LYS A 39 7.432 -12.586 5.113 1.00 0.00 C ATOM 531 CE LYS A 39 8.710 -13.081 4.454 1.00 0.00 C ATOM 532 NZ LYS A 39 8.456 -14.233 3.546 1.00 0.00 N ATOM 0 H LYS A 39 3.843 -12.679 1.771 1.00 0.00 H new ATOM 0 HA LYS A 39 5.362 -10.324 2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.863 -12.514 3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.250 -13.161 2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.450 -10.962 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.143 -10.887 4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.669 -12.140 6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.770 -13.430 5.305 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.166 -12.268 3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.424 -13.375 5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.230 -14.922 3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.557 -14.687 3.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.404 -13.896 2.564 1.00 0.00 H new ATOM 546 N GLY A 40 7.343 -10.376 0.879 1.00 0.00 N ATOM 547 CA GLY A 40 8.438 -10.355 -0.073 1.00 0.00 C ATOM 548 C GLY A 40 8.070 -9.655 -1.366 1.00 0.00 C ATOM 549 O GLY A 40 8.909 -9.004 -1.987 1.00 0.00 O ATOM 0 H GLY A 40 7.230 -9.519 1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.296 -9.854 0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.744 -11.378 -0.292 1.00 0.00 H new ATOM 553 N GLN A 41 6.811 -9.790 -1.773 1.00 0.00 N ATOM 554 CA GLN A 41 6.335 -9.167 -3.002 1.00 0.00 C ATOM 555 C GLN A 41 6.515 -7.653 -2.949 1.00 0.00 C ATOM 556 O GLN A 41 6.239 -7.020 -1.931 1.00 0.00 O ATOM 557 CB GLN A 41 4.862 -9.509 -3.234 1.00 0.00 C ATOM 558 CG GLN A 41 4.652 -10.819 -3.977 1.00 0.00 C ATOM 559 CD GLN A 41 4.864 -10.682 -5.472 1.00 0.00 C ATOM 560 OE1 GLN A 41 4.385 -9.734 -6.095 1.00 0.00 O ATOM 561 NE2 GLN A 41 5.586 -11.631 -6.057 1.00 0.00 N ATOM 0 H GLN A 41 6.103 -10.325 -1.270 1.00 0.00 H new ATOM 0 HA GLN A 41 6.926 -9.557 -3.831 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.354 -9.561 -2.271 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.394 -8.702 -3.798 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.338 -11.569 -3.584 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.641 -11.181 -3.789 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.964 -12.399 -5.502 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.762 -11.592 -7.061 1.00 0.00 H new ATOM 570 N VAL A 42 6.981 -7.079 -4.054 1.00 0.00 N ATOM 571 CA VAL A 42 7.198 -5.640 -4.135 1.00 0.00 C ATOM 572 C VAL A 42 5.928 -4.872 -3.785 1.00 0.00 C ATOM 573 O VAL A 42 4.828 -5.256 -4.185 1.00 0.00 O ATOM 574 CB VAL A 42 7.667 -5.220 -5.541 1.00 0.00 C ATOM 575 CG1 VAL A 42 7.867 -3.714 -5.610 1.00 0.00 C ATOM 576 CG2 VAL A 42 8.945 -5.954 -5.916 1.00 0.00 C ATOM 0 H VAL A 42 7.215 -7.589 -4.906 1.00 0.00 H new ATOM 0 HA VAL A 42 7.977 -5.397 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 42 6.894 -5.492 -6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.198 -3.436 -6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.926 -3.211 -5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.620 -3.413 -4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.263 -5.646 -6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.727 -5.714 -5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.763 -7.029 -5.910 1.00 0.00 H new ATOM 586 N ARG A 43 6.087 -3.786 -3.037 1.00 0.00 N ATOM 587 CA ARG A 43 4.952 -2.964 -2.632 1.00 0.00 C ATOM 588 C ARG A 43 5.366 -1.503 -2.480 1.00 0.00 C ATOM 589 O ARG A 43 6.550 -1.193 -2.348 1.00 0.00 O ATOM 590 CB ARG A 43 4.366 -3.479 -1.316 1.00 0.00 C ATOM 591 CG ARG A 43 5.203 -3.126 -0.097 1.00 0.00 C ATOM 592 CD ARG A 43 4.566 -3.643 1.184 1.00 0.00 C ATOM 593 NE ARG A 43 5.454 -3.494 2.334 1.00 0.00 N ATOM 594 CZ ARG A 43 5.035 -3.530 3.594 1.00 0.00 C ATOM 595 NH1 ARG A 43 3.750 -3.710 3.865 1.00 0.00 N ATOM 596 NH2 ARG A 43 5.904 -3.387 4.587 1.00 0.00 N ATOM 0 H ARG A 43 6.990 -3.454 -2.699 1.00 0.00 H new ATOM 0 HA ARG A 43 4.192 -3.029 -3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.364 -3.069 -1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.262 -4.563 -1.374 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.202 -3.549 -0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.320 -2.044 -0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.637 -3.104 1.371 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.305 -4.694 1.061 1.00 0.00 H new ATOM 0 HE ARG A 43 6.449 -3.355 2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.079 -3.821 3.105 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.432 -3.737 4.834 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.894 -3.249 4.383 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.582 -3.415 5.554 1.00 0.00 H new ATOM 610 N LEU A 44 4.382 -0.610 -2.500 1.00 0.00 N ATOM 611 CA LEU A 44 4.644 0.819 -2.364 1.00 0.00 C ATOM 612 C LEU A 44 3.764 1.433 -1.280 1.00 0.00 C ATOM 613 O LEU A 44 2.734 0.870 -0.909 1.00 0.00 O ATOM 614 CB LEU A 44 4.402 1.530 -3.697 1.00 0.00 C ATOM 615 CG LEU A 44 5.080 0.912 -4.920 1.00 0.00 C ATOM 616 CD1 LEU A 44 4.159 -0.099 -5.587 1.00 0.00 C ATOM 617 CD2 LEU A 44 5.489 1.995 -5.907 1.00 0.00 C ATOM 0 H LEU A 44 3.397 -0.850 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 44 5.687 0.947 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.328 1.562 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.740 2.562 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 44 5.979 0.392 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.658 -0.529 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.916 -0.892 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.242 0.398 -5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.970 1.537 -6.771 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.605 2.544 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.185 2.682 -5.426 1.00 0.00 H new ATOM 629 N SER A 45 4.176 2.592 -0.777 1.00 0.00 N ATOM 630 CA SER A 45 3.427 3.282 0.266 1.00 0.00 C ATOM 631 C SER A 45 3.376 4.783 -0.004 1.00 0.00 C ATOM 632 O SER A 45 4.343 5.372 -0.489 1.00 0.00 O ATOM 633 CB SER A 45 4.057 3.020 1.635 1.00 0.00 C ATOM 634 OG SER A 45 5.350 3.593 1.719 1.00 0.00 O ATOM 0 H SER A 45 5.025 3.073 -1.075 1.00 0.00 H new ATOM 0 HA SER A 45 2.408 2.895 0.263 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.421 3.434 2.417 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.120 1.946 1.811 1.00 0.00 H new ATOM 0 HG SER A 45 5.731 3.413 2.604 1.00 0.00 H new ATOM 640 N LYS A 46 2.241 5.397 0.313 1.00 0.00 N ATOM 641 CA LYS A 46 2.062 6.829 0.107 1.00 0.00 C ATOM 642 C LYS A 46 1.678 7.523 1.410 1.00 0.00 C ATOM 643 O LYS A 46 0.732 7.117 2.086 1.00 0.00 O ATOM 644 CB LYS A 46 0.988 7.082 -0.954 1.00 0.00 C ATOM 645 CG LYS A 46 0.641 8.551 -1.129 1.00 0.00 C ATOM 646 CD LYS A 46 -0.781 8.731 -1.633 1.00 0.00 C ATOM 647 CE LYS A 46 -0.835 8.754 -3.153 1.00 0.00 C ATOM 648 NZ LYS A 46 -0.660 10.130 -3.693 1.00 0.00 N ATOM 0 H LYS A 46 1.431 4.925 0.714 1.00 0.00 H new ATOM 0 HA LYS A 46 3.010 7.242 -0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.330 6.682 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.086 6.534 -0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.759 9.070 -0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.338 9.009 -1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.406 7.921 -1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.193 9.660 -1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.057 8.105 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.790 8.351 -3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.435 10.345 -4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.671 10.814 -2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.249 10.193 -4.195 1.00 0.00 H new ATOM 662 N LYS A 47 2.416 8.571 1.757 1.00 0.00 N ATOM 663 CA LYS A 47 2.152 9.324 2.978 1.00 0.00 C ATOM 664 C LYS A 47 1.258 10.527 2.693 1.00 0.00 C ATOM 665 O LYS A 47 1.661 11.460 2.000 1.00 0.00 O ATOM 666 CB LYS A 47 3.466 9.789 3.610 1.00 0.00 C ATOM 667 CG LYS A 47 3.382 9.986 5.114 1.00 0.00 C ATOM 668 CD LYS A 47 4.434 10.964 5.608 1.00 0.00 C ATOM 669 CE LYS A 47 5.767 10.273 5.853 1.00 0.00 C ATOM 670 NZ LYS A 47 5.764 9.498 7.125 1.00 0.00 N ATOM 0 H LYS A 47 3.203 8.919 1.209 1.00 0.00 H new ATOM 0 HA LYS A 47 1.634 8.666 3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.244 9.057 3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.771 10.727 3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.390 10.353 5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.512 9.027 5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.565 11.760 4.875 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.091 11.433 6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.988 9.605 5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.562 11.018 5.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.725 9.155 7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.446 10.110 7.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.119 8.687 7.036 1.00 0.00 H new ATOM 684 N MET A 48 0.045 10.498 3.234 1.00 0.00 N ATOM 685 CA MET A 48 -0.904 11.588 3.039 1.00 0.00 C ATOM 686 C MET A 48 -2.022 11.527 4.074 1.00 0.00 C ATOM 687 O MET A 48 -2.148 10.548 4.810 1.00 0.00 O ATOM 688 CB MET A 48 -1.495 11.532 1.629 1.00 0.00 C ATOM 689 CG MET A 48 -2.391 10.327 1.392 1.00 0.00 C ATOM 690 SD MET A 48 -4.098 10.621 1.891 1.00 0.00 S ATOM 691 CE MET A 48 -4.401 9.189 2.923 1.00 0.00 C ATOM 0 H MET A 48 -0.304 9.732 3.810 1.00 0.00 H new ATOM 0 HA MET A 48 -0.369 12.529 3.164 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.068 12.441 1.448 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.682 11.518 0.903 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.366 10.063 0.335 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.998 9.473 1.943 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.436 8.868 2.805 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.734 8.379 2.627 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.217 9.447 3.966 1.00 0.00 H new ATOM 701 N VAL A 49 -2.833 12.580 4.127 1.00 0.00 N ATOM 702 CA VAL A 49 -3.941 12.645 5.072 1.00 0.00 C ATOM 703 C VAL A 49 -5.237 12.158 4.434 1.00 0.00 C ATOM 704 O VAL A 49 -5.594 12.578 3.333 1.00 0.00 O ATOM 705 CB VAL A 49 -4.147 14.078 5.597 1.00 0.00 C ATOM 706 CG1 VAL A 49 -5.341 14.136 6.537 1.00 0.00 C ATOM 707 CG2 VAL A 49 -2.888 14.578 6.289 1.00 0.00 C ATOM 0 H VAL A 49 -2.743 13.399 3.526 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.684 11.993 5.907 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.351 14.731 4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.471 15.156 6.898 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.239 13.822 6.004 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.170 13.471 7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.052 15.592 6.654 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.650 13.924 7.128 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.059 14.576 5.582 1.00 0.00 H new ATOM 717 N ASP A 50 -5.937 11.271 5.132 1.00 0.00 N ATOM 718 CA ASP A 50 -7.196 10.728 4.635 1.00 0.00 C ATOM 719 C ASP A 50 -8.303 11.775 4.698 1.00 0.00 C ATOM 720 O ASP A 50 -8.555 12.385 5.737 1.00 0.00 O ATOM 721 CB ASP A 50 -7.598 9.493 5.443 1.00 0.00 C ATOM 722 CG ASP A 50 -8.444 8.526 4.640 1.00 0.00 C ATOM 723 OD1 ASP A 50 -8.169 8.357 3.433 1.00 0.00 O ATOM 724 OD2 ASP A 50 -9.381 7.936 5.218 1.00 0.00 O ATOM 0 H ASP A 50 -5.654 10.912 6.044 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.052 10.440 3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.700 8.983 5.792 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.151 9.806 6.329 1.00 0.00 H new ATOM 729 N PRO A 51 -8.979 11.991 3.560 1.00 0.00 N ATOM 730 CA PRO A 51 -10.070 12.966 3.459 1.00 0.00 C ATOM 731 C PRO A 51 -11.311 12.527 4.229 1.00 0.00 C ATOM 732 O PRO A 51 -12.122 13.357 4.640 1.00 0.00 O ATOM 733 CB PRO A 51 -10.362 13.018 1.958 1.00 0.00 C ATOM 734 CG PRO A 51 -9.910 11.697 1.438 1.00 0.00 C ATOM 735 CD PRO A 51 -8.731 11.300 2.283 1.00 0.00 C ATOM 0 HA PRO A 51 -9.796 13.931 3.887 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.423 13.177 1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.826 13.837 1.478 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.707 10.957 1.508 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.631 11.766 0.387 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.677 10.219 2.415 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.790 11.614 1.832 1.00 0.00 H new ATOM 743 N GLU A 52 -11.452 11.219 4.420 1.00 0.00 N ATOM 744 CA GLU A 52 -12.596 10.672 5.141 1.00 0.00 C ATOM 745 C GLU A 52 -12.418 10.835 6.648 1.00 0.00 C ATOM 746 O GLU A 52 -13.333 11.267 7.350 1.00 0.00 O ATOM 747 CB GLU A 52 -12.785 9.194 4.795 1.00 0.00 C ATOM 748 CG GLU A 52 -12.848 8.921 3.302 1.00 0.00 C ATOM 749 CD GLU A 52 -12.340 7.539 2.940 1.00 0.00 C ATOM 750 OE1 GLU A 52 -12.904 6.547 3.448 1.00 0.00 O ATOM 751 OE2 GLU A 52 -11.380 7.449 2.146 1.00 0.00 O ATOM 0 H GLU A 52 -10.789 10.519 4.086 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.484 11.225 4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.964 8.621 5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.703 8.835 5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.878 9.027 2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.258 9.671 2.774 1.00 0.00 H new ATOM 758 N LYS A 53 -11.234 10.486 7.139 1.00 0.00 N ATOM 759 CA LYS A 53 -10.933 10.593 8.562 1.00 0.00 C ATOM 760 C LYS A 53 -9.765 11.544 8.801 1.00 0.00 C ATOM 761 O LYS A 53 -8.624 11.127 8.998 1.00 0.00 O ATOM 762 CB LYS A 53 -10.609 9.214 9.141 1.00 0.00 C ATOM 763 CG LYS A 53 -11.839 8.406 9.513 1.00 0.00 C ATOM 764 CD LYS A 53 -11.493 7.264 10.454 1.00 0.00 C ATOM 765 CE LYS A 53 -12.654 6.930 11.377 1.00 0.00 C ATOM 766 NZ LYS A 53 -12.433 5.651 12.107 1.00 0.00 N ATOM 0 H LYS A 53 -10.466 10.126 6.572 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.813 10.993 9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.022 8.653 8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.985 9.338 10.026 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.574 9.058 9.985 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.300 8.007 8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.223 6.382 9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.620 7.533 11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.791 7.739 12.095 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.573 6.861 10.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.247 5.459 12.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.327 4.875 11.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.570 5.725 12.683 1.00 0.00 H new ATOM 780 N PRO A 54 -10.055 12.854 8.786 1.00 0.00 N ATOM 781 CA PRO A 54 -9.041 13.891 9.002 1.00 0.00 C ATOM 782 C PRO A 54 -8.538 13.919 10.441 1.00 0.00 C ATOM 783 O PRO A 54 -7.545 14.578 10.747 1.00 0.00 O ATOM 784 CB PRO A 54 -9.785 15.188 8.670 1.00 0.00 C ATOM 785 CG PRO A 54 -11.221 14.874 8.914 1.00 0.00 C ATOM 786 CD PRO A 54 -11.393 13.423 8.558 1.00 0.00 C ATOM 0 HA PRO A 54 -8.152 13.725 8.394 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.447 16.011 9.300 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.616 15.488 7.636 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.489 15.055 9.955 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.868 15.505 8.304 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.146 12.943 9.183 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.711 13.298 7.523 1.00 0.00 H new ATOM 794 N GLN A 55 -9.229 13.200 11.319 1.00 0.00 N ATOM 795 CA GLN A 55 -8.850 13.143 12.726 1.00 0.00 C ATOM 796 C GLN A 55 -7.521 12.416 12.903 1.00 0.00 C ATOM 797 O GLN A 55 -6.670 12.839 13.687 1.00 0.00 O ATOM 798 CB GLN A 55 -9.940 12.444 13.541 1.00 0.00 C ATOM 799 CG GLN A 55 -10.249 11.035 13.062 1.00 0.00 C ATOM 800 CD GLN A 55 -11.334 10.365 13.882 1.00 0.00 C ATOM 801 OE1 GLN A 55 -11.126 10.025 15.047 1.00 0.00 O ATOM 802 NE2 GLN A 55 -12.500 10.171 13.277 1.00 0.00 N ATOM 0 H GLN A 55 -10.054 12.649 11.081 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.735 14.165 13.087 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.632 12.404 14.586 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.851 13.041 13.500 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.558 11.070 12.017 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.341 10.433 13.106 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.629 10.469 12.310 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.267 9.724 13.779 1.00 0.00 H new ATOM 811 N LEU A 56 -7.349 11.321 12.171 1.00 0.00 N ATOM 812 CA LEU A 56 -6.123 10.535 12.248 1.00 0.00 C ATOM 813 C LEU A 56 -4.919 11.358 11.802 1.00 0.00 C ATOM 814 O LEU A 56 -3.856 11.306 12.418 1.00 0.00 O ATOM 815 CB LEU A 56 -6.244 9.279 11.383 1.00 0.00 C ATOM 816 CG LEU A 56 -7.380 8.321 11.747 1.00 0.00 C ATOM 817 CD1 LEU A 56 -7.537 7.250 10.679 1.00 0.00 C ATOM 818 CD2 LEU A 56 -7.129 7.688 13.107 1.00 0.00 C ATOM 0 H LEU A 56 -8.043 10.957 11.518 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.974 10.241 13.287 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.374 9.587 10.346 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.303 8.732 11.438 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.308 8.891 11.800 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.349 6.578 10.955 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.764 7.721 9.722 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.610 6.683 10.593 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.947 7.010 13.349 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.192 7.132 13.082 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.068 8.468 13.866 1.00 0.00 H new ATOM 830 N GLY A 57 -5.095 12.121 10.726 1.00 0.00 N ATOM 831 CA GLY A 57 -4.016 12.946 10.217 1.00 0.00 C ATOM 832 C GLY A 57 -3.120 12.198 9.251 1.00 0.00 C ATOM 833 O GLY A 57 -3.603 11.514 8.349 1.00 0.00 O ATOM 0 H GLY A 57 -5.966 12.182 10.199 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.435 13.819 9.717 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.419 13.313 11.052 1.00 0.00 H new ATOM 837 N MET A 58 -1.810 12.329 9.438 1.00 0.00 N ATOM 838 CA MET A 58 -0.845 11.659 8.575 1.00 0.00 C ATOM 839 C MET A 58 -0.901 10.147 8.766 1.00 0.00 C ATOM 840 O MET A 58 -0.892 9.654 9.895 1.00 0.00 O ATOM 841 CB MET A 58 0.569 12.169 8.863 1.00 0.00 C ATOM 842 CG MET A 58 0.742 13.657 8.606 1.00 0.00 C ATOM 843 SD MET A 58 0.395 14.111 6.896 1.00 0.00 S ATOM 844 CE MET A 58 1.043 12.685 6.028 1.00 0.00 C ATOM 0 H MET A 58 -1.393 12.893 10.179 1.00 0.00 H new ATOM 0 HA MET A 58 -1.102 11.886 7.540 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.818 11.957 9.903 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.278 11.617 8.246 1.00 0.00 H new ATOM 0 HG2 MET A 58 0.080 14.215 9.268 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.762 13.949 8.856 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.215 12.943 4.983 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.983 12.377 6.486 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.326 11.867 6.086 1.00 0.00 H new ATOM 854 N ILE A 59 -0.960 9.416 7.658 1.00 0.00 N ATOM 855 CA ILE A 59 -1.017 7.960 7.705 1.00 0.00 C ATOM 856 C ILE A 59 -0.161 7.341 6.606 1.00 0.00 C ATOM 857 O ILE A 59 0.218 8.013 5.646 1.00 0.00 O ATOM 858 CB ILE A 59 -2.463 7.449 7.564 1.00 0.00 C ATOM 859 CG1 ILE A 59 -3.077 7.948 6.254 1.00 0.00 C ATOM 860 CG2 ILE A 59 -3.301 7.895 8.752 1.00 0.00 C ATOM 861 CD1 ILE A 59 -4.407 7.305 5.928 1.00 0.00 C ATOM 0 H ILE A 59 -0.970 9.808 6.716 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.628 7.660 8.678 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.448 6.359 7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.209 9.028 6.312 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.380 7.756 5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.320 7.526 8.637 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.872 7.495 9.671 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.313 8.984 8.801 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.784 7.705 4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.277 6.227 5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.120 7.519 6.725 1.00 0.00 H new ATOM 873 N ASP A 60 0.140 6.055 6.752 1.00 0.00 N ATOM 874 CA ASP A 60 0.950 5.343 5.770 1.00 0.00 C ATOM 875 C ASP A 60 0.257 4.059 5.324 1.00 0.00 C ATOM 876 O ASP A 60 0.130 3.110 6.098 1.00 0.00 O ATOM 877 CB ASP A 60 2.327 5.019 6.352 1.00 0.00 C ATOM 878 CG ASP A 60 3.071 6.260 6.802 1.00 0.00 C ATOM 879 OD1 ASP A 60 2.576 6.949 7.719 1.00 0.00 O ATOM 880 OD2 ASP A 60 4.149 6.544 6.238 1.00 0.00 O ATOM 0 H ASP A 60 -0.165 5.484 7.541 1.00 0.00 H new ATOM 0 HA ASP A 60 1.075 5.988 4.901 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.211 4.342 7.198 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.921 4.494 5.603 1.00 0.00 H new ATOM 885 N ARG A 61 -0.189 4.037 4.073 1.00 0.00 N ATOM 886 CA ARG A 61 -0.871 2.871 3.524 1.00 0.00 C ATOM 887 C ARG A 61 0.040 2.110 2.565 1.00 0.00 C ATOM 888 O ARG A 61 1.166 2.531 2.297 1.00 0.00 O ATOM 889 CB ARG A 61 -2.150 3.295 2.801 1.00 0.00 C ATOM 890 CG ARG A 61 -3.377 3.320 3.698 1.00 0.00 C ATOM 891 CD ARG A 61 -3.225 4.335 4.821 1.00 0.00 C ATOM 892 NE ARG A 61 -3.953 3.935 6.022 1.00 0.00 N ATOM 893 CZ ARG A 61 -5.278 3.853 6.086 1.00 0.00 C ATOM 894 NH1 ARG A 61 -6.015 4.141 5.022 1.00 0.00 N ATOM 895 NH2 ARG A 61 -5.867 3.481 7.215 1.00 0.00 N ATOM 0 H ARG A 61 -0.090 4.814 3.420 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.132 2.211 4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.003 4.286 2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.331 2.612 1.971 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.258 3.562 3.104 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.540 2.329 4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.168 4.455 5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.588 5.306 4.484 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.415 3.706 6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.565 4.426 4.152 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.032 4.077 5.073 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.303 3.258 8.035 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.884 3.418 7.263 1.00 0.00 H new ATOM 909 N TRP A 62 -0.454 0.989 2.052 1.00 0.00 N ATOM 910 CA TRP A 62 0.316 0.170 1.123 1.00 0.00 C ATOM 911 C TRP A 62 -0.552 -0.294 -0.042 1.00 0.00 C ATOM 912 O TRP A 62 -1.748 -0.537 0.121 1.00 0.00 O ATOM 913 CB TRP A 62 0.906 -1.041 1.848 1.00 0.00 C ATOM 914 CG TRP A 62 1.799 -0.670 2.993 1.00 0.00 C ATOM 915 CD1 TRP A 62 1.428 -0.481 4.294 1.00 0.00 C ATOM 916 CD2 TRP A 62 3.211 -0.441 2.940 1.00 0.00 C ATOM 917 NE1 TRP A 62 2.525 -0.149 5.052 1.00 0.00 N ATOM 918 CE2 TRP A 62 3.631 -0.118 4.245 1.00 0.00 C ATOM 919 CE3 TRP A 62 4.163 -0.480 1.917 1.00 0.00 C ATOM 920 CZ2 TRP A 62 4.959 0.165 4.551 1.00 0.00 C ATOM 921 CZ3 TRP A 62 5.481 -0.198 2.222 1.00 0.00 C ATOM 922 CH2 TRP A 62 5.870 0.120 3.530 1.00 0.00 C ATOM 0 H TRP A 62 -1.384 0.627 2.263 1.00 0.00 H new ATOM 0 HA TRP A 62 1.128 0.780 0.727 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.093 -1.666 2.218 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.471 -1.642 1.136 1.00 0.00 H new ATOM 0 HD1 TRP A 62 0.421 -0.578 4.671 1.00 0.00 H new ATOM 0 HE1 TRP A 62 2.517 0.043 6.054 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.873 -0.726 0.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 5.260 0.411 5.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 6.224 -0.223 1.439 1.00 0.00 H new ATOM 0 HH2 TRP A 62 6.908 0.334 3.737 1.00 0.00 H new ATOM 933 N TYR A 63 0.057 -0.413 -1.216 1.00 0.00 N ATOM 934 CA TYR A 63 -0.662 -0.846 -2.409 1.00 0.00 C ATOM 935 C TYR A 63 0.259 -1.615 -3.351 1.00 0.00 C ATOM 936 O TYR A 63 1.416 -1.243 -3.548 1.00 0.00 O ATOM 937 CB TYR A 63 -1.259 0.361 -3.135 1.00 0.00 C ATOM 938 CG TYR A 63 -2.179 1.193 -2.271 1.00 0.00 C ATOM 939 CD1 TYR A 63 -1.668 2.061 -1.314 1.00 0.00 C ATOM 940 CD2 TYR A 63 -3.559 1.111 -2.410 1.00 0.00 C ATOM 941 CE1 TYR A 63 -2.504 2.824 -0.521 1.00 0.00 C ATOM 942 CE2 TYR A 63 -4.403 1.871 -1.623 1.00 0.00 C ATOM 943 CZ TYR A 63 -3.871 2.725 -0.680 1.00 0.00 C ATOM 944 OH TYR A 63 -4.708 3.482 0.107 1.00 0.00 O ATOM 0 H TYR A 63 1.046 -0.216 -1.368 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.468 -1.510 -2.096 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.449 0.992 -3.501 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.811 0.013 -4.008 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.598 2.141 -1.188 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.979 0.442 -3.146 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.090 3.493 0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.473 1.797 -1.746 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.609 3.483 -0.280 1.00 0.00 H new ATOM 954 N HIS A 64 -0.263 -2.692 -3.930 1.00 0.00 N ATOM 955 CA HIS A 64 0.510 -3.515 -4.853 1.00 0.00 C ATOM 956 C HIS A 64 0.964 -2.699 -6.059 1.00 0.00 C ATOM 957 O HIS A 64 0.293 -1.762 -6.493 1.00 0.00 O ATOM 958 CB HIS A 64 -0.317 -4.714 -5.316 1.00 0.00 C ATOM 959 CG HIS A 64 -0.962 -5.467 -4.192 1.00 0.00 C ATOM 960 ND1 HIS A 64 -2.139 -5.065 -3.596 1.00 0.00 N ATOM 961 CD2 HIS A 64 -0.589 -6.603 -3.558 1.00 0.00 C ATOM 962 CE1 HIS A 64 -2.460 -5.921 -2.642 1.00 0.00 C ATOM 963 NE2 HIS A 64 -1.536 -6.864 -2.599 1.00 0.00 N ATOM 0 H HIS A 64 -1.218 -3.015 -3.776 1.00 0.00 H new ATOM 0 HA HIS A 64 1.394 -3.875 -4.326 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.090 -4.368 -6.002 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.325 -5.393 -5.876 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.677 -4.237 -3.852 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.290 -7.194 -3.768 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.330 -5.860 -2.005 1.00 0.00 H new ATOM 971 N PRO A 65 2.130 -3.060 -6.614 1.00 0.00 N ATOM 972 CA PRO A 65 2.699 -2.374 -7.778 1.00 0.00 C ATOM 973 C PRO A 65 1.677 -2.176 -8.892 1.00 0.00 C ATOM 974 O PRO A 65 1.693 -1.163 -9.589 1.00 0.00 O ATOM 975 CB PRO A 65 3.814 -3.318 -8.236 1.00 0.00 C ATOM 976 CG PRO A 65 4.205 -4.066 -7.009 1.00 0.00 C ATOM 977 CD PRO A 65 2.983 -4.167 -6.149 1.00 0.00 C ATOM 0 HA PRO A 65 3.046 -1.371 -7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.465 -3.993 -9.017 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.658 -2.764 -8.648 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.579 -5.057 -7.265 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.006 -3.549 -6.481 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.488 -5.131 -6.270 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.229 -4.065 -5.092 1.00 0.00 H new ATOM 985 N GLY A 66 0.787 -3.151 -9.052 1.00 0.00 N ATOM 986 CA GLY A 66 -0.230 -3.064 -10.083 1.00 0.00 C ATOM 987 C GLY A 66 -1.305 -2.047 -9.753 1.00 0.00 C ATOM 988 O GLY A 66 -1.902 -1.450 -10.649 1.00 0.00 O ATOM 0 H GLY A 66 0.752 -3.999 -8.486 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.239 -2.798 -11.030 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.690 -4.043 -10.219 1.00 0.00 H new ATOM 992 N CYS A 67 -1.554 -1.851 -8.462 1.00 0.00 N ATOM 993 CA CYS A 67 -2.566 -0.902 -8.014 1.00 0.00 C ATOM 994 C CYS A 67 -2.032 0.527 -8.067 1.00 0.00 C ATOM 995 O CYS A 67 -2.791 1.478 -8.256 1.00 0.00 O ATOM 996 CB CYS A 67 -3.016 -1.237 -6.591 1.00 0.00 C ATOM 997 SG CYS A 67 -3.474 -2.984 -6.349 1.00 0.00 S ATOM 0 H CYS A 67 -1.069 -2.337 -7.708 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.421 -0.978 -8.685 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.214 -0.983 -5.898 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.869 -0.610 -6.334 1.00 0.00 H new ATOM 0 HG CYS A 67 -4.326 -3.078 -5.371 1.00 0.00 H new ATOM 1002 N PHE A 68 -0.722 0.670 -7.899 1.00 0.00 N ATOM 1003 CA PHE A 68 -0.086 1.982 -7.927 1.00 0.00 C ATOM 1004 C PHE A 68 -0.169 2.597 -9.321 1.00 0.00 C ATOM 1005 O PHE A 68 -0.356 3.805 -9.468 1.00 0.00 O ATOM 1006 CB PHE A 68 1.377 1.872 -7.491 1.00 0.00 C ATOM 1007 CG PHE A 68 1.975 3.183 -7.064 1.00 0.00 C ATOM 1008 CD1 PHE A 68 1.591 3.779 -5.874 1.00 0.00 C ATOM 1009 CD2 PHE A 68 2.920 3.817 -7.853 1.00 0.00 C ATOM 1010 CE1 PHE A 68 2.139 4.985 -5.480 1.00 0.00 C ATOM 1011 CE2 PHE A 68 3.473 5.023 -7.464 1.00 0.00 C ATOM 1012 CZ PHE A 68 3.082 5.607 -6.275 1.00 0.00 C ATOM 0 H PHE A 68 -0.080 -0.107 -7.742 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.617 2.631 -7.231 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.450 1.163 -6.667 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.964 1.465 -8.315 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.856 3.296 -5.248 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.229 3.364 -8.783 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.830 5.441 -4.551 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.209 5.507 -8.088 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.513 6.548 -5.967 1.00 0.00 H new ATOM 1022 N VAL A 69 -0.027 1.757 -10.341 1.00 0.00 N ATOM 1023 CA VAL A 69 -0.085 2.217 -11.723 1.00 0.00 C ATOM 1024 C VAL A 69 -1.518 2.533 -12.137 1.00 0.00 C ATOM 1025 O VAL A 69 -1.822 3.649 -12.560 1.00 0.00 O ATOM 1026 CB VAL A 69 0.496 1.167 -12.689 1.00 0.00 C ATOM 1027 CG1 VAL A 69 0.436 1.670 -14.123 1.00 0.00 C ATOM 1028 CG2 VAL A 69 1.923 0.815 -12.297 1.00 0.00 C ATOM 0 H VAL A 69 0.129 0.754 -10.236 1.00 0.00 H new ATOM 0 HA VAL A 69 0.516 3.125 -11.780 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.108 0.262 -12.622 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.851 0.915 -14.791 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.601 1.867 -14.397 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.015 2.589 -14.211 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.318 0.072 -12.990 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.542 1.711 -12.334 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.933 0.409 -11.285 1.00 0.00 H new ATOM 1038 N LYS A 70 -2.397 1.544 -12.012 1.00 0.00 N ATOM 1039 CA LYS A 70 -3.799 1.716 -12.370 1.00 0.00 C ATOM 1040 C LYS A 70 -4.390 2.944 -11.684 1.00 0.00 C ATOM 1041 O LYS A 70 -5.096 3.735 -12.307 1.00 0.00 O ATOM 1042 CB LYS A 70 -4.601 0.470 -11.988 1.00 0.00 C ATOM 1043 CG LYS A 70 -4.410 -0.693 -12.946 1.00 0.00 C ATOM 1044 CD LYS A 70 -5.092 -1.952 -12.437 1.00 0.00 C ATOM 1045 CE LYS A 70 -5.094 -3.050 -13.490 1.00 0.00 C ATOM 1046 NZ LYS A 70 -3.780 -3.748 -13.566 1.00 0.00 N ATOM 0 H LYS A 70 -2.162 0.614 -11.665 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.857 1.861 -13.449 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.312 0.155 -10.985 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.659 0.727 -11.948 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.813 -0.430 -13.924 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.345 -0.884 -13.081 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.582 -2.306 -11.541 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.118 -1.721 -12.149 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.876 -3.773 -13.259 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.334 -2.620 -14.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.822 -4.489 -14.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.037 -3.063 -13.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.563 -4.180 -12.645 1.00 0.00 H new ATOM 1060 N ASN A 71 -4.094 3.096 -10.397 1.00 0.00 N ATOM 1061 CA ASN A 71 -4.596 4.229 -9.627 1.00 0.00 C ATOM 1062 C ASN A 71 -3.516 5.293 -9.459 1.00 0.00 C ATOM 1063 O ASN A 71 -3.488 6.012 -8.460 1.00 0.00 O ATOM 1064 CB ASN A 71 -5.084 3.762 -8.254 1.00 0.00 C ATOM 1065 CG ASN A 71 -6.042 2.590 -8.349 1.00 0.00 C ATOM 1066 OD1 ASN A 71 -5.722 1.477 -7.932 1.00 0.00 O ATOM 1067 ND2 ASN A 71 -7.225 2.836 -8.901 1.00 0.00 N ATOM 0 H ASN A 71 -3.510 2.450 -9.866 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.431 4.667 -10.173 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.227 3.478 -7.644 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.577 4.591 -7.745 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.911 2.086 -8.993 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.448 3.774 -9.233 1.00 0.00 H new ATOM 1074 N ARG A 72 -2.629 5.389 -10.445 1.00 0.00 N ATOM 1075 CA ARG A 72 -1.547 6.366 -10.407 1.00 0.00 C ATOM 1076 C ARG A 72 -2.097 7.788 -10.461 1.00 0.00 C ATOM 1077 O ARG A 72 -1.520 8.708 -9.882 1.00 0.00 O ATOM 1078 CB ARG A 72 -0.583 6.135 -11.571 1.00 0.00 C ATOM 1079 CG ARG A 72 -1.138 6.569 -12.918 1.00 0.00 C ATOM 1080 CD ARG A 72 -0.076 6.511 -14.004 1.00 0.00 C ATOM 1081 NE ARG A 72 0.755 7.712 -14.022 1.00 0.00 N ATOM 1082 CZ ARG A 72 0.352 8.877 -14.516 1.00 0.00 C ATOM 1083 NH1 ARG A 72 -0.865 8.997 -15.030 1.00 0.00 N ATOM 1084 NH2 ARG A 72 1.165 9.925 -14.497 1.00 0.00 N ATOM 0 H ARG A 72 -2.639 4.802 -11.279 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.008 6.239 -9.468 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.343 6.677 -11.378 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.329 5.076 -11.617 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.975 5.927 -13.192 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.527 7.584 -12.842 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.555 5.636 -13.848 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.556 6.388 -14.975 1.00 0.00 H new ATOM 0 HE ARG A 72 1.696 7.653 -13.634 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.493 8.194 -15.046 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.173 9.893 -15.409 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.101 9.837 -14.103 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.854 10.819 -14.877 1.00 0.00 H new ATOM 1098 N GLU A 73 -3.214 7.960 -11.161 1.00 0.00 N ATOM 1099 CA GLU A 73 -3.839 9.270 -11.292 1.00 0.00 C ATOM 1100 C GLU A 73 -4.696 9.588 -10.071 1.00 0.00 C ATOM 1101 O GLU A 73 -4.488 10.599 -9.400 1.00 0.00 O ATOM 1102 CB GLU A 73 -4.696 9.327 -12.559 1.00 0.00 C ATOM 1103 CG GLU A 73 -3.895 9.584 -13.824 1.00 0.00 C ATOM 1104 CD GLU A 73 -4.777 9.802 -15.038 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -5.211 8.799 -15.643 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -5.031 10.974 -15.385 1.00 0.00 O ATOM 0 H GLU A 73 -3.704 7.208 -11.646 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.048 10.016 -11.364 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.235 8.386 -12.665 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.444 10.112 -12.447 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.262 10.459 -13.677 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.232 8.739 -14.008 1.00 0.00 H new ATOM 1113 N GLU A 74 -5.661 8.718 -9.789 1.00 0.00 N ATOM 1114 CA GLU A 74 -6.550 8.907 -8.649 1.00 0.00 C ATOM 1115 C GLU A 74 -5.753 9.142 -7.369 1.00 0.00 C ATOM 1116 O GLU A 74 -6.050 10.054 -6.597 1.00 0.00 O ATOM 1117 CB GLU A 74 -7.463 7.691 -8.479 1.00 0.00 C ATOM 1118 CG GLU A 74 -8.465 7.836 -7.346 1.00 0.00 C ATOM 1119 CD GLU A 74 -9.710 8.597 -7.762 1.00 0.00 C ATOM 1120 OE1 GLU A 74 -9.627 9.833 -7.916 1.00 0.00 O ATOM 1121 OE2 GLU A 74 -10.767 7.954 -7.933 1.00 0.00 O ATOM 0 H GLU A 74 -5.847 7.876 -10.334 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.162 9.788 -8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.003 7.519 -9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.849 6.809 -8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.751 6.846 -6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.991 8.351 -6.510 1.00 0.00 H new ATOM 1128 N LEU A 75 -4.739 8.311 -7.151 1.00 0.00 N ATOM 1129 CA LEU A 75 -3.898 8.426 -5.965 1.00 0.00 C ATOM 1130 C LEU A 75 -3.269 9.812 -5.876 1.00 0.00 C ATOM 1131 O LEU A 75 -3.019 10.323 -4.785 1.00 0.00 O ATOM 1132 CB LEU A 75 -2.804 7.357 -5.986 1.00 0.00 C ATOM 1133 CG LEU A 75 -3.222 5.959 -5.528 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -2.059 4.987 -5.650 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -3.739 5.999 -4.098 1.00 0.00 C ATOM 0 H LEU A 75 -4.480 7.551 -7.780 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.527 8.276 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.415 7.284 -7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.982 7.694 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.028 5.611 -6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.375 3.998 -5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.735 4.936 -6.689 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.232 5.330 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.032 4.996 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.954 6.368 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.602 6.662 -4.042 1.00 0.00 H new ATOM 1147 N GLY A 76 -3.016 10.418 -7.032 1.00 0.00 N ATOM 1148 CA GLY A 76 -2.420 11.740 -7.063 1.00 0.00 C ATOM 1149 C GLY A 76 -0.935 11.700 -7.363 1.00 0.00 C ATOM 1150 O GLY A 76 -0.160 12.478 -6.806 1.00 0.00 O ATOM 0 H GLY A 76 -3.214 10.016 -7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.924 12.345 -7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.580 12.230 -6.103 1.00 0.00 H new ATOM 1154 N PHE A 77 -0.536 10.791 -8.246 1.00 0.00 N ATOM 1155 CA PHE A 77 0.868 10.650 -8.617 1.00 0.00 C ATOM 1156 C PHE A 77 1.183 11.463 -9.870 1.00 0.00 C ATOM 1157 O PHE A 77 0.964 11.005 -10.991 1.00 0.00 O ATOM 1158 CB PHE A 77 1.210 9.177 -8.853 1.00 0.00 C ATOM 1159 CG PHE A 77 2.672 8.870 -8.699 1.00 0.00 C ATOM 1160 CD1 PHE A 77 3.348 9.215 -7.539 1.00 0.00 C ATOM 1161 CD2 PHE A 77 3.370 8.235 -9.713 1.00 0.00 C ATOM 1162 CE1 PHE A 77 4.693 8.934 -7.395 1.00 0.00 C ATOM 1163 CE2 PHE A 77 4.716 7.951 -9.574 1.00 0.00 C ATOM 1164 CZ PHE A 77 5.378 8.300 -8.414 1.00 0.00 C ATOM 0 H PHE A 77 -1.164 10.141 -8.718 1.00 0.00 H new ATOM 0 HA PHE A 77 1.475 11.030 -7.795 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.642 8.564 -8.153 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.891 8.894 -9.856 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.817 9.709 -6.739 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.857 7.959 -10.622 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.209 9.210 -6.487 1.00 0.00 H new ATOM 0 HE2 PHE A 77 5.249 7.456 -10.372 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.429 8.078 -8.303 1.00 0.00 H new ATOM 1174 N ARG A 78 1.697 12.672 -9.669 1.00 0.00 N ATOM 1175 CA ARG A 78 2.040 13.551 -10.780 1.00 0.00 C ATOM 1176 C ARG A 78 2.975 12.847 -11.761 1.00 0.00 C ATOM 1177 O ARG A 78 3.763 11.977 -11.389 1.00 0.00 O ATOM 1178 CB ARG A 78 2.698 14.831 -10.262 1.00 0.00 C ATOM 1179 CG ARG A 78 1.824 15.618 -9.300 1.00 0.00 C ATOM 1180 CD ARG A 78 0.825 16.492 -10.043 1.00 0.00 C ATOM 1181 NE ARG A 78 -0.240 15.704 -10.658 1.00 0.00 N ATOM 1182 CZ ARG A 78 -1.336 15.320 -10.013 1.00 0.00 C ATOM 1183 NH1 ARG A 78 -1.511 15.649 -8.741 1.00 0.00 N ATOM 1184 NH2 ARG A 78 -2.261 14.604 -10.642 1.00 0.00 N ATOM 0 H ARG A 78 1.885 13.065 -8.747 1.00 0.00 H new ATOM 0 HA ARG A 78 1.119 13.810 -11.303 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.632 14.573 -9.763 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.954 15.466 -11.110 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.290 14.929 -8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.452 16.241 -8.663 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.389 17.213 -9.351 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.345 17.063 -10.813 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.137 15.434 -11.636 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.803 16.199 -8.254 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.354 15.352 -8.249 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.130 14.349 -11.621 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.102 14.309 -10.146 1.00 0.00 H new ATOM 1198 N PRO A 79 2.886 13.231 -13.043 1.00 0.00 N ATOM 1199 CA PRO A 79 3.716 12.650 -14.102 1.00 0.00 C ATOM 1200 C PRO A 79 5.180 13.056 -13.980 1.00 0.00 C ATOM 1201 O PRO A 79 6.039 12.533 -14.689 1.00 0.00 O ATOM 1202 CB PRO A 79 3.107 13.223 -15.384 1.00 0.00 C ATOM 1203 CG PRO A 79 2.458 14.495 -14.959 1.00 0.00 C ATOM 1204 CD PRO A 79 1.969 14.262 -13.556 1.00 0.00 C ATOM 0 HA PRO A 79 3.720 11.561 -14.065 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.872 13.402 -16.140 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.382 12.535 -15.820 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.165 15.324 -14.993 1.00 0.00 H new ATOM 0 HG3 PRO A 79 1.632 14.752 -15.622 1.00 0.00 H new ATOM 0 HD2 PRO A 79 2.013 15.173 -12.958 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.934 13.922 -13.542 1.00 0.00 H new ATOM 1212 N GLU A 80 5.457 13.991 -13.077 1.00 0.00 N ATOM 1213 CA GLU A 80 6.819 14.467 -12.864 1.00 0.00 C ATOM 1214 C GLU A 80 7.638 13.441 -12.086 1.00 0.00 C ATOM 1215 O GLU A 80 8.868 13.440 -12.143 1.00 0.00 O ATOM 1216 CB GLU A 80 6.805 15.800 -12.113 1.00 0.00 C ATOM 1217 CG GLU A 80 6.227 15.704 -10.711 1.00 0.00 C ATOM 1218 CD GLU A 80 5.817 17.054 -10.155 1.00 0.00 C ATOM 1219 OE1 GLU A 80 5.318 17.890 -10.937 1.00 0.00 O ATOM 1220 OE2 GLU A 80 5.995 17.274 -8.939 1.00 0.00 O ATOM 0 H GLU A 80 4.757 14.434 -12.482 1.00 0.00 H new ATOM 0 HA GLU A 80 7.283 14.613 -13.840 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.824 16.183 -12.051 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.226 16.524 -12.686 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.361 15.042 -10.724 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.964 15.251 -10.048 1.00 0.00 H new ATOM 1227 N TYR A 81 6.947 12.571 -11.358 1.00 0.00 N ATOM 1228 CA TYR A 81 7.609 11.541 -10.566 1.00 0.00 C ATOM 1229 C TYR A 81 7.713 10.235 -11.347 1.00 0.00 C ATOM 1230 O TYR A 81 6.815 9.883 -12.112 1.00 0.00 O ATOM 1231 CB TYR A 81 6.850 11.308 -9.258 1.00 0.00 C ATOM 1232 CG TYR A 81 6.393 12.583 -8.587 1.00 0.00 C ATOM 1233 CD1 TYR A 81 7.307 13.561 -8.214 1.00 0.00 C ATOM 1234 CD2 TYR A 81 5.048 12.810 -8.325 1.00 0.00 C ATOM 1235 CE1 TYR A 81 6.894 14.728 -7.600 1.00 0.00 C ATOM 1236 CE2 TYR A 81 4.626 13.975 -7.713 1.00 0.00 C ATOM 1237 CZ TYR A 81 5.553 14.930 -7.353 1.00 0.00 C ATOM 1238 OH TYR A 81 5.136 16.091 -6.741 1.00 0.00 O ATOM 0 H TYR A 81 5.929 12.558 -11.300 1.00 0.00 H new ATOM 0 HA TYR A 81 8.617 11.886 -10.337 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.981 10.682 -9.459 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.490 10.755 -8.570 1.00 0.00 H new ATOM 0 HD1 TYR A 81 8.358 13.406 -8.407 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.319 12.063 -8.604 1.00 0.00 H new ATOM 0 HE1 TYR A 81 7.618 15.477 -7.315 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.576 14.136 -7.518 1.00 0.00 H new ATOM 0 HH TYR A 81 5.314 16.854 -7.330 1.00 0.00 H new ATOM 1248 N SER A 82 8.815 9.519 -11.147 1.00 0.00 N ATOM 1249 CA SER A 82 9.040 8.253 -11.834 1.00 0.00 C ATOM 1250 C SER A 82 9.382 7.148 -10.839 1.00 0.00 C ATOM 1251 O SER A 82 9.599 7.409 -9.656 1.00 0.00 O ATOM 1252 CB SER A 82 10.165 8.398 -12.860 1.00 0.00 C ATOM 1253 OG SER A 82 11.315 8.984 -12.276 1.00 0.00 O ATOM 0 H SER A 82 9.566 9.795 -10.514 1.00 0.00 H new ATOM 0 HA SER A 82 8.120 7.980 -12.351 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.419 7.419 -13.267 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.824 9.011 -13.694 1.00 0.00 H new ATOM 0 HG SER A 82 12.030 8.316 -12.221 1.00 0.00 H new ATOM 1259 N ALA A 83 9.429 5.914 -11.329 1.00 0.00 N ATOM 1260 CA ALA A 83 9.746 4.769 -10.484 1.00 0.00 C ATOM 1261 C ALA A 83 11.121 4.925 -9.842 1.00 0.00 C ATOM 1262 O ALA A 83 11.388 4.360 -8.781 1.00 0.00 O ATOM 1263 CB ALA A 83 9.683 3.482 -11.294 1.00 0.00 C ATOM 0 H ALA A 83 9.252 5.681 -12.306 1.00 0.00 H new ATOM 0 HA ALA A 83 9.004 4.721 -9.687 1.00 0.00 H new ATOM 0 HB1 ALA A 83 9.922 2.635 -10.651 1.00 0.00 H new ATOM 0 HB2 ALA A 83 8.680 3.357 -11.701 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.402 3.531 -12.111 1.00 0.00 H new ATOM 1269 N SER A 84 11.988 5.694 -10.491 1.00 0.00 N ATOM 1270 CA SER A 84 13.337 5.921 -9.985 1.00 0.00 C ATOM 1271 C SER A 84 13.340 7.010 -8.917 1.00 0.00 C ATOM 1272 O SER A 84 14.399 7.452 -8.471 1.00 0.00 O ATOM 1273 CB SER A 84 14.275 6.310 -11.129 1.00 0.00 C ATOM 1274 OG SER A 84 13.809 7.468 -11.800 1.00 0.00 O ATOM 0 H SER A 84 11.781 6.171 -11.369 1.00 0.00 H new ATOM 0 HA SER A 84 13.691 4.993 -9.535 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.276 6.491 -10.737 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.354 5.484 -11.835 1.00 0.00 H new ATOM 0 HG SER A 84 14.427 7.697 -12.526 1.00 0.00 H new ATOM 1280 N GLN A 85 12.149 7.436 -8.511 1.00 0.00 N ATOM 1281 CA GLN A 85 12.014 8.473 -7.496 1.00 0.00 C ATOM 1282 C GLN A 85 11.307 7.933 -6.257 1.00 0.00 C ATOM 1283 O GLN A 85 10.870 8.698 -5.396 1.00 0.00 O ATOM 1284 CB GLN A 85 11.242 9.669 -8.057 1.00 0.00 C ATOM 1285 CG GLN A 85 12.007 10.442 -9.119 1.00 0.00 C ATOM 1286 CD GLN A 85 11.582 11.895 -9.203 1.00 0.00 C ATOM 1287 OE1 GLN A 85 11.203 12.382 -10.268 1.00 0.00 O ATOM 1288 NE2 GLN A 85 11.643 12.596 -8.077 1.00 0.00 N ATOM 0 H GLN A 85 11.263 7.079 -8.870 1.00 0.00 H new ATOM 0 HA GLN A 85 13.014 8.797 -7.209 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.302 9.317 -8.482 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.989 10.344 -7.239 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.074 10.391 -8.902 1.00 0.00 H new ATOM 0 HG3 GLN A 85 11.856 9.967 -10.088 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.963 12.152 -7.216 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.369 13.579 -8.073 1.00 0.00 H new ATOM 1297 N LEU A 86 11.198 6.612 -6.173 1.00 0.00 N ATOM 1298 CA LEU A 86 10.543 5.969 -5.038 1.00 0.00 C ATOM 1299 C LEU A 86 11.567 5.531 -3.996 1.00 0.00 C ATOM 1300 O LEU A 86 12.552 4.866 -4.318 1.00 0.00 O ATOM 1301 CB LEU A 86 9.730 4.763 -5.510 1.00 0.00 C ATOM 1302 CG LEU A 86 8.688 5.038 -6.595 1.00 0.00 C ATOM 1303 CD1 LEU A 86 8.151 3.733 -7.163 1.00 0.00 C ATOM 1304 CD2 LEU A 86 7.554 5.888 -6.041 1.00 0.00 C ATOM 0 H LEU A 86 11.554 5.965 -6.876 1.00 0.00 H new ATOM 0 HA LEU A 86 9.872 6.694 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.422 4.007 -5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.222 4.333 -4.647 1.00 0.00 H new ATOM 0 HG LEU A 86 9.169 5.590 -7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.411 3.949 -7.934 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.971 3.161 -7.597 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.686 3.153 -6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.822 6.074 -6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.075 5.362 -5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.952 6.838 -5.684 1.00 0.00 H new ATOM 1316 N LYS A 87 11.326 5.906 -2.744 1.00 0.00 N ATOM 1317 CA LYS A 87 12.224 5.549 -1.652 1.00 0.00 C ATOM 1318 C LYS A 87 12.420 4.038 -1.580 1.00 0.00 C ATOM 1319 O LYS A 87 11.533 3.308 -1.140 1.00 0.00 O ATOM 1320 CB LYS A 87 11.673 6.067 -0.322 1.00 0.00 C ATOM 1321 CG LYS A 87 12.146 7.467 0.029 1.00 0.00 C ATOM 1322 CD LYS A 87 13.589 7.465 0.505 1.00 0.00 C ATOM 1323 CE LYS A 87 13.685 7.161 1.992 1.00 0.00 C ATOM 1324 NZ LYS A 87 15.013 7.538 2.551 1.00 0.00 N ATOM 0 H LYS A 87 10.516 6.457 -2.460 1.00 0.00 H new ATOM 0 HA LYS A 87 13.191 6.014 -1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 87 10.584 6.060 -0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 87 11.967 5.383 0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.051 8.114 -0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.506 7.884 0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.157 6.723 -0.056 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.042 8.435 0.301 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.901 7.700 2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.510 6.098 2.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 15.038 7.315 3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.760 7.005 2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 15.170 8.557 2.416 1.00 0.00 H new ATOM 1338 N GLY A 88 13.589 3.575 -2.014 1.00 0.00 N ATOM 1339 CA GLY A 88 13.880 2.154 -1.988 1.00 0.00 C ATOM 1340 C GLY A 88 14.128 1.588 -3.372 1.00 0.00 C ATOM 1341 O GLY A 88 14.827 0.586 -3.525 1.00 0.00 O ATOM 0 H GLY A 88 14.339 4.159 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 88 14.756 1.977 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.047 1.624 -1.526 1.00 0.00 H new ATOM 1345 N PHE A 89 13.552 2.229 -4.384 1.00 0.00 N ATOM 1346 CA PHE A 89 13.713 1.782 -5.763 1.00 0.00 C ATOM 1347 C PHE A 89 15.180 1.505 -6.077 1.00 0.00 C ATOM 1348 O PHE A 89 15.533 0.419 -6.536 1.00 0.00 O ATOM 1349 CB PHE A 89 13.161 2.832 -6.729 1.00 0.00 C ATOM 1350 CG PHE A 89 13.199 2.402 -8.167 1.00 0.00 C ATOM 1351 CD1 PHE A 89 14.362 2.524 -8.911 1.00 0.00 C ATOM 1352 CD2 PHE A 89 12.071 1.876 -8.776 1.00 0.00 C ATOM 1353 CE1 PHE A 89 14.400 2.128 -10.235 1.00 0.00 C ATOM 1354 CE2 PHE A 89 12.103 1.478 -10.100 1.00 0.00 C ATOM 1355 CZ PHE A 89 13.268 1.605 -10.830 1.00 0.00 C ATOM 0 H PHE A 89 12.970 3.059 -4.275 1.00 0.00 H new ATOM 0 HA PHE A 89 13.153 0.855 -5.887 1.00 0.00 H new ATOM 0 HB2 PHE A 89 12.132 3.062 -6.454 1.00 0.00 H new ATOM 0 HB3 PHE A 89 13.734 3.753 -6.618 1.00 0.00 H new ATOM 0 HD1 PHE A 89 15.249 2.933 -8.451 1.00 0.00 H new ATOM 0 HD2 PHE A 89 11.156 1.776 -8.210 1.00 0.00 H new ATOM 0 HE1 PHE A 89 15.313 2.227 -10.803 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.217 1.068 -10.563 1.00 0.00 H new ATOM 0 HZ PHE A 89 13.294 1.296 -11.865 1.00 0.00 H new ATOM 1365 N SER A 90 16.029 2.496 -5.828 1.00 0.00 N ATOM 1366 CA SER A 90 17.458 2.362 -6.089 1.00 0.00 C ATOM 1367 C SER A 90 18.018 1.112 -5.417 1.00 0.00 C ATOM 1368 O SER A 90 18.890 0.437 -5.964 1.00 0.00 O ATOM 1369 CB SER A 90 18.207 3.601 -5.593 1.00 0.00 C ATOM 1370 OG SER A 90 19.479 3.707 -6.207 1.00 0.00 O ATOM 0 H SER A 90 15.753 3.401 -5.446 1.00 0.00 H new ATOM 0 HA SER A 90 17.599 2.268 -7.166 1.00 0.00 H new ATOM 0 HB2 SER A 90 17.621 4.494 -5.807 1.00 0.00 H new ATOM 0 HB3 SER A 90 18.325 3.549 -4.511 1.00 0.00 H new ATOM 0 HG SER A 90 19.937 4.507 -5.875 1.00 0.00 H new ATOM 1376 N LEU A 91 17.510 0.811 -4.227 1.00 0.00 N ATOM 1377 CA LEU A 91 17.958 -0.359 -3.478 1.00 0.00 C ATOM 1378 C LEU A 91 17.501 -1.647 -4.155 1.00 0.00 C ATOM 1379 O LEU A 91 18.232 -2.638 -4.185 1.00 0.00 O ATOM 1380 CB LEU A 91 17.426 -0.306 -2.045 1.00 0.00 C ATOM 1381 CG LEU A 91 17.747 0.965 -1.257 1.00 0.00 C ATOM 1382 CD1 LEU A 91 16.991 0.979 0.063 1.00 0.00 C ATOM 1383 CD2 LEU A 91 19.245 1.080 -1.017 1.00 0.00 C ATOM 0 H LEU A 91 16.788 1.360 -3.760 1.00 0.00 H new ATOM 0 HA LEU A 91 19.048 -0.350 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 91 16.343 -0.427 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 91 17.826 -1.160 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 91 17.427 1.825 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 91 17.231 1.890 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.919 0.945 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.280 0.112 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 91 19.455 1.990 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 91 19.590 0.216 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 91 19.765 1.117 -1.974 1.00 0.00 H new ATOM 1395 N LEU A 92 16.290 -1.625 -4.699 1.00 0.00 N ATOM 1396 CA LEU A 92 15.735 -2.791 -5.379 1.00 0.00 C ATOM 1397 C LEU A 92 16.743 -3.378 -6.363 1.00 0.00 C ATOM 1398 O LEU A 92 17.738 -2.739 -6.702 1.00 0.00 O ATOM 1399 CB LEU A 92 14.448 -2.414 -6.114 1.00 0.00 C ATOM 1400 CG LEU A 92 13.293 -1.928 -5.238 1.00 0.00 C ATOM 1401 CD1 LEU A 92 12.135 -1.448 -6.099 1.00 0.00 C ATOM 1402 CD2 LEU A 92 12.837 -3.032 -4.295 1.00 0.00 C ATOM 0 H LEU A 92 15.673 -0.813 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 92 15.508 -3.546 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.682 -1.633 -6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.109 -3.282 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 92 13.646 -1.089 -4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.322 -1.106 -5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.469 -0.626 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.783 -2.268 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.014 -2.668 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.503 -3.892 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.667 -3.328 -3.653 1.00 0.00 H new ATOM 1414 N ALA A 93 16.475 -4.598 -6.818 1.00 0.00 N ATOM 1415 CA ALA A 93 17.356 -5.269 -7.767 1.00 0.00 C ATOM 1416 C ALA A 93 17.094 -4.792 -9.191 1.00 0.00 C ATOM 1417 O ALA A 93 15.949 -4.758 -9.645 1.00 0.00 O ATOM 1418 CB ALA A 93 17.181 -6.777 -7.672 1.00 0.00 C ATOM 0 H ALA A 93 15.656 -5.141 -6.545 1.00 0.00 H new ATOM 0 HA ALA A 93 18.385 -5.017 -7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.844 -7.266 -8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.426 -7.109 -6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.148 -7.038 -7.899 1.00 0.00 H new ATOM 1424 N THR A 94 18.161 -4.425 -9.893 1.00 0.00 N ATOM 1425 CA THR A 94 18.046 -3.948 -11.266 1.00 0.00 C ATOM 1426 C THR A 94 16.894 -4.634 -11.991 1.00 0.00 C ATOM 1427 O THR A 94 16.034 -3.974 -12.572 1.00 0.00 O ATOM 1428 CB THR A 94 19.348 -4.186 -12.054 1.00 0.00 C ATOM 1429 OG1 THR A 94 20.436 -3.504 -11.419 1.00 0.00 O ATOM 1430 CG2 THR A 94 19.208 -3.702 -13.489 1.00 0.00 C ATOM 0 H THR A 94 19.115 -4.449 -9.533 1.00 0.00 H new ATOM 0 HA THR A 94 17.852 -2.877 -11.214 1.00 0.00 H new ATOM 0 HB THR A 94 19.549 -5.257 -12.067 1.00 0.00 H new ATOM 0 HG1 THR A 94 21.261 -3.661 -11.925 1.00 0.00 H new ATOM 0 HG21 THR A 94 20.140 -3.880 -14.026 1.00 0.00 H new ATOM 0 HG22 THR A 94 18.398 -4.243 -13.978 1.00 0.00 H new ATOM 0 HG23 THR A 94 18.986 -2.635 -13.493 1.00 0.00 H new ATOM 1438 N GLU A 95 16.885 -5.963 -11.953 1.00 0.00 N ATOM 1439 CA GLU A 95 15.837 -6.738 -12.608 1.00 0.00 C ATOM 1440 C GLU A 95 14.459 -6.160 -12.299 1.00 0.00 C ATOM 1441 O GLU A 95 13.726 -5.758 -13.203 1.00 0.00 O ATOM 1442 CB GLU A 95 15.900 -8.200 -12.163 1.00 0.00 C ATOM 1443 CG GLU A 95 17.038 -8.981 -12.798 1.00 0.00 C ATOM 1444 CD GLU A 95 17.124 -8.772 -14.298 1.00 0.00 C ATOM 1445 OE1 GLU A 95 16.062 -8.736 -14.953 1.00 0.00 O ATOM 1446 OE2 GLU A 95 18.253 -8.644 -14.816 1.00 0.00 O ATOM 0 H GLU A 95 17.590 -6.525 -11.476 1.00 0.00 H new ATOM 0 HA GLU A 95 16.001 -6.686 -13.684 1.00 0.00 H new ATOM 0 HB2 GLU A 95 16.006 -8.237 -11.079 1.00 0.00 H new ATOM 0 HB3 GLU A 95 14.956 -8.686 -12.408 1.00 0.00 H new ATOM 0 HG2 GLU A 95 17.980 -8.681 -12.339 1.00 0.00 H new ATOM 0 HG3 GLU A 95 16.905 -10.043 -12.590 1.00 0.00 H new ATOM 1453 N ASP A 96 14.114 -6.121 -11.017 1.00 0.00 N ATOM 1454 CA ASP A 96 12.825 -5.592 -10.588 1.00 0.00 C ATOM 1455 C ASP A 96 12.673 -4.131 -10.998 1.00 0.00 C ATOM 1456 O ASP A 96 11.703 -3.757 -11.657 1.00 0.00 O ATOM 1457 CB ASP A 96 12.673 -5.728 -9.072 1.00 0.00 C ATOM 1458 CG ASP A 96 11.776 -4.657 -8.482 1.00 0.00 C ATOM 1459 OD1 ASP A 96 12.208 -3.487 -8.426 1.00 0.00 O ATOM 1460 OD2 ASP A 96 10.643 -4.990 -8.075 1.00 0.00 O ATOM 0 H ASP A 96 14.709 -6.450 -10.257 1.00 0.00 H new ATOM 0 HA ASP A 96 12.042 -6.171 -11.077 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.264 -6.711 -8.837 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.656 -5.673 -8.605 1.00 0.00 H new ATOM 1465 N LYS A 97 13.638 -3.307 -10.603 1.00 0.00 N ATOM 1466 CA LYS A 97 13.614 -1.886 -10.928 1.00 0.00 C ATOM 1467 C LYS A 97 13.007 -1.655 -12.309 1.00 0.00 C ATOM 1468 O LYS A 97 12.001 -0.960 -12.445 1.00 0.00 O ATOM 1469 CB LYS A 97 15.029 -1.306 -10.878 1.00 0.00 C ATOM 1470 CG LYS A 97 15.731 -1.529 -9.550 1.00 0.00 C ATOM 1471 CD LYS A 97 17.146 -0.976 -9.567 1.00 0.00 C ATOM 1472 CE LYS A 97 17.185 0.470 -9.098 1.00 0.00 C ATOM 1473 NZ LYS A 97 18.296 1.230 -9.735 1.00 0.00 N ATOM 0 H LYS A 97 14.448 -3.600 -10.056 1.00 0.00 H new ATOM 0 HA LYS A 97 12.994 -1.380 -10.188 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.624 -1.754 -11.674 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.981 -0.236 -11.079 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.162 -1.051 -8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.759 -2.596 -9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.783 -1.585 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.552 -1.043 -10.576 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.235 0.953 -9.329 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.301 0.497 -8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.289 2.211 -9.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.204 0.785 -9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.172 1.226 -10.768 1.00 0.00 H new ATOM 1487 N GLU A 98 13.625 -2.244 -13.328 1.00 0.00 N ATOM 1488 CA GLU A 98 13.143 -2.102 -14.697 1.00 0.00 C ATOM 1489 C GLU A 98 11.677 -2.511 -14.804 1.00 0.00 C ATOM 1490 O GLU A 98 10.884 -1.849 -15.473 1.00 0.00 O ATOM 1491 CB GLU A 98 13.991 -2.948 -15.650 1.00 0.00 C ATOM 1492 CG GLU A 98 15.431 -2.476 -15.765 1.00 0.00 C ATOM 1493 CD GLU A 98 16.129 -3.029 -16.993 1.00 0.00 C ATOM 1494 OE1 GLU A 98 16.030 -2.399 -18.066 1.00 0.00 O ATOM 1495 OE2 GLU A 98 16.775 -4.092 -16.879 1.00 0.00 O ATOM 0 H GLU A 98 14.459 -2.823 -13.232 1.00 0.00 H new ATOM 0 HA GLU A 98 13.230 -1.053 -14.978 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.983 -3.983 -15.308 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.533 -2.935 -16.639 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.451 -1.387 -15.800 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.980 -2.777 -14.873 1.00 0.00 H new ATOM 1502 N ALA A 99 11.325 -3.606 -14.140 1.00 0.00 N ATOM 1503 CA ALA A 99 9.955 -4.104 -14.158 1.00 0.00 C ATOM 1504 C ALA A 99 8.956 -2.969 -13.955 1.00 0.00 C ATOM 1505 O ALA A 99 8.028 -2.796 -14.746 1.00 0.00 O ATOM 1506 CB ALA A 99 9.767 -5.172 -13.091 1.00 0.00 C ATOM 0 H ALA A 99 11.970 -4.166 -13.582 1.00 0.00 H new ATOM 0 HA ALA A 99 9.769 -4.547 -15.136 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.739 -5.535 -13.116 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.449 -6.001 -13.282 1.00 0.00 H new ATOM 0 HB3 ALA A 99 9.978 -4.747 -12.110 1.00 0.00 H new ATOM 1512 N LEU A 100 9.152 -2.199 -12.891 1.00 0.00 N ATOM 1513 CA LEU A 100 8.268 -1.080 -12.583 1.00 0.00 C ATOM 1514 C LEU A 100 8.323 -0.024 -13.682 1.00 0.00 C ATOM 1515 O LEU A 100 7.312 0.284 -14.314 1.00 0.00 O ATOM 1516 CB LEU A 100 8.652 -0.455 -11.240 1.00 0.00 C ATOM 1517 CG LEU A 100 8.269 -1.255 -9.994 1.00 0.00 C ATOM 1518 CD1 LEU A 100 8.954 -0.684 -8.762 1.00 0.00 C ATOM 1519 CD2 LEU A 100 6.758 -1.266 -9.810 1.00 0.00 C ATOM 0 H LEU A 100 9.915 -2.329 -12.227 1.00 0.00 H new ATOM 0 HA LEU A 100 7.249 -1.461 -12.521 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.731 -0.299 -11.230 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.187 0.528 -11.173 1.00 0.00 H new ATOM 0 HG LEU A 100 8.606 -2.283 -10.128 1.00 0.00 H new ATOM 0 HD11 LEU A 100 8.670 -1.266 -7.885 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.035 -0.730 -8.893 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.649 0.353 -8.624 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.504 -1.840 -8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.398 -0.243 -9.698 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.289 -1.723 -10.681 1.00 0.00 H new ATOM 1531 N LYS A 101 9.511 0.527 -13.907 1.00 0.00 N ATOM 1532 CA LYS A 101 9.700 1.547 -14.932 1.00 0.00 C ATOM 1533 C LYS A 101 8.805 1.278 -16.138 1.00 0.00 C ATOM 1534 O LYS A 101 8.164 2.189 -16.663 1.00 0.00 O ATOM 1535 CB LYS A 101 11.166 1.591 -15.371 1.00 0.00 C ATOM 1536 CG LYS A 101 12.038 2.468 -14.490 1.00 0.00 C ATOM 1537 CD LYS A 101 13.477 1.980 -14.469 1.00 0.00 C ATOM 1538 CE LYS A 101 14.173 2.238 -15.797 1.00 0.00 C ATOM 1539 NZ LYS A 101 14.675 3.636 -15.898 1.00 0.00 N ATOM 0 H LYS A 101 10.358 0.284 -13.393 1.00 0.00 H new ATOM 0 HA LYS A 101 9.425 2.512 -14.506 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.567 0.578 -15.371 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.219 1.955 -16.397 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.006 3.495 -14.853 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.640 2.476 -13.475 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.021 2.482 -13.669 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.497 0.913 -14.248 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.006 1.544 -15.911 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.480 2.041 -16.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.143 3.771 -16.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.877 4.298 -15.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.356 3.816 -15.133 1.00 0.00 H new ATOM 1553 N LYS A 102 8.764 0.023 -16.571 1.00 0.00 N ATOM 1554 CA LYS A 102 7.946 -0.366 -17.713 1.00 0.00 C ATOM 1555 C LYS A 102 6.526 0.174 -17.574 1.00 0.00 C ATOM 1556 O LYS A 102 6.047 0.914 -18.434 1.00 0.00 O ATOM 1557 CB LYS A 102 7.912 -1.891 -17.846 1.00 0.00 C ATOM 1558 CG LYS A 102 9.197 -2.481 -18.400 1.00 0.00 C ATOM 1559 CD LYS A 102 8.971 -3.871 -18.972 1.00 0.00 C ATOM 1560 CE LYS A 102 8.241 -3.812 -20.305 1.00 0.00 C ATOM 1561 NZ LYS A 102 7.534 -5.088 -20.607 1.00 0.00 N ATOM 0 H LYS A 102 9.288 -0.743 -16.148 1.00 0.00 H new ATOM 0 HA LYS A 102 8.393 0.062 -18.611 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.713 -2.328 -16.868 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.083 -2.172 -18.495 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.594 -1.827 -19.177 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.947 -2.529 -17.610 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.930 -4.372 -19.103 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.393 -4.467 -18.265 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.522 -2.993 -20.289 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.954 -3.595 -21.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.049 -5.008 -21.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.223 -5.866 -20.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.836 -5.283 -19.861 1.00 0.00 H new ATOM 1575 N GLN A 103 5.859 -0.200 -16.487 1.00 0.00 N ATOM 1576 CA GLN A 103 4.495 0.249 -16.236 1.00 0.00 C ATOM 1577 C GLN A 103 4.463 1.738 -15.907 1.00 0.00 C ATOM 1578 O GLN A 103 3.624 2.480 -16.420 1.00 0.00 O ATOM 1579 CB GLN A 103 3.874 -0.552 -15.090 1.00 0.00 C ATOM 1580 CG GLN A 103 3.904 -2.056 -15.313 1.00 0.00 C ATOM 1581 CD GLN A 103 5.253 -2.667 -14.992 1.00 0.00 C ATOM 1582 OE1 GLN A 103 5.634 -2.628 -13.721 1.00 0.00 O flip ATOM 1583 NE2 GLN A 103 5.946 -3.169 -15.878 1.00 0.00 N flip ATOM 0 H GLN A 103 6.241 -0.813 -15.766 1.00 0.00 H new ATOM 0 HA GLN A 103 3.913 0.084 -17.143 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.404 -0.319 -14.166 1.00 0.00 H new ATOM 0 HB3 GLN A 103 2.840 -0.234 -14.954 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.140 -2.526 -14.694 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.650 -2.271 -16.351 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.614 -3.177 -16.842 1.00 0.00 H new ATOM 0 HE22 GLN A 103 6.852 -3.577 -15.647 1.00 0.00 H new ATOM 1592 N LEU A 104 5.381 2.169 -15.049 1.00 0.00 N ATOM 1593 CA LEU A 104 5.458 3.570 -14.650 1.00 0.00 C ATOM 1594 C LEU A 104 6.668 4.250 -15.282 1.00 0.00 C ATOM 1595 O LEU A 104 7.719 4.405 -14.659 1.00 0.00 O ATOM 1596 CB LEU A 104 5.532 3.684 -13.127 1.00 0.00 C ATOM 1597 CG LEU A 104 4.350 3.100 -12.352 1.00 0.00 C ATOM 1598 CD1 LEU A 104 4.768 2.736 -10.935 1.00 0.00 C ATOM 1599 CD2 LEU A 104 3.188 4.083 -12.331 1.00 0.00 C ATOM 0 H LEU A 104 6.083 1.568 -14.616 1.00 0.00 H new ATOM 0 HA LEU A 104 4.557 4.072 -15.002 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.442 3.189 -12.789 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.627 4.738 -12.866 1.00 0.00 H new ATOM 0 HG LEU A 104 4.022 2.191 -12.857 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.914 2.322 -10.399 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.568 1.996 -10.970 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.122 3.629 -10.419 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.356 3.651 -11.775 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.503 5.009 -11.850 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.872 4.294 -13.352 1.00 0.00 H new ATOM 1611 N PRO A 105 6.519 4.667 -16.548 1.00 0.00 N ATOM 1612 CA PRO A 105 7.589 5.340 -17.291 1.00 0.00 C ATOM 1613 C PRO A 105 7.872 6.741 -16.759 1.00 0.00 C ATOM 1614 O PRO A 105 8.922 7.319 -17.033 1.00 0.00 O ATOM 1615 CB PRO A 105 7.040 5.410 -18.718 1.00 0.00 C ATOM 1616 CG PRO A 105 5.559 5.375 -18.556 1.00 0.00 C ATOM 1617 CD PRO A 105 5.295 4.515 -17.352 1.00 0.00 C ATOM 0 HA PRO A 105 8.538 4.809 -17.210 1.00 0.00 H new ATOM 0 HB2 PRO A 105 7.362 6.321 -19.222 1.00 0.00 H new ATOM 0 HB3 PRO A 105 7.392 4.572 -19.319 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.158 6.379 -18.414 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.079 4.962 -19.443 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.412 4.848 -16.806 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.124 3.475 -17.631 1.00 0.00 H new ATOM 1625 N GLY A 106 6.926 7.281 -15.996 1.00 0.00 N ATOM 1626 CA GLY A 106 7.093 8.610 -15.438 1.00 0.00 C ATOM 1627 C GLY A 106 6.064 9.592 -15.961 1.00 0.00 C ATOM 1628 O GLY A 106 4.995 9.755 -15.372 1.00 0.00 O ATOM 0 H GLY A 106 6.048 6.822 -15.755 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.020 8.556 -14.352 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.092 8.976 -15.673 1.00 0.00 H new