USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 784 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 43 ASN : amide:sc= -0.515 K(o=-2.1,f=-1.2) USER MOD Set 1.2: A 62 GLN : amide:sc= -1.55 K(o=-2.1,f=-0.83) USER MOD Single : A 12 TYR OH : rot -178:sc= -1.74! USER MOD Single : A 13 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.43) USER MOD Single : A 15 SER OG : rot -170:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.562 USER MOD Single : A 20 GLN : amide:sc= -0.11 K(o=-0.11,f=-4.3!) USER MOD Single : A 23 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-2.6!) USER MOD Single : A 24 MET CE :methyl -154:sc= -1.72 (180deg=-4.59!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 171:sc= 0.27 (180deg=0.245) USER MOD Single : A 40 ASN : amide:sc= -0.309 K(o=-0.31,f=-3.4!) USER MOD Single : A 44 SER OG : rot -8:sc= -2.42! USER MOD Single : A 45 TYR OH : rot 36:sc= 0.205 USER MOD Single : A 48 SER OG : rot 50:sc= -0.351 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= -17! C(o=-17!,f=-19!) USER MOD Single : A 58 CYS SG : rot -68:sc= -3.06! USER MOD Single : A 61 GLN : amide:sc= -1.12 K(o=-1.1,f=-5.4!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -4.23! K(o=-4.2!,f=-1.7) USER MOD Single : A 72 SER OG : rot 108:sc= -0.368 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= -2.08! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.257 K(o=-0.26,f=-2.6!) USER MOD Single : A 90 TYR OH : rot 179:sc= -1.09 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 172:sc= 0 (180deg=-0.0103) USER MOD Single : A 94 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0201) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N TRP A 11 -1.774 9.231 1.343 1.00 0.00 N ATOM 142 CA TRP A 11 -0.966 8.146 0.700 1.00 0.00 C ATOM 143 C TRP A 11 -1.474 7.883 -0.721 1.00 0.00 C ATOM 144 O TRP A 11 -1.337 6.797 -1.246 1.00 0.00 O ATOM 145 CB TRP A 11 -1.055 6.851 1.522 1.00 0.00 C ATOM 146 CG TRP A 11 -2.305 6.831 2.348 1.00 0.00 C ATOM 147 CD1 TRP A 11 -2.436 7.388 3.575 1.00 0.00 C ATOM 148 CD2 TRP A 11 -3.595 6.226 2.036 1.00 0.00 C ATOM 149 NE1 TRP A 11 -3.723 7.163 4.034 1.00 0.00 N ATOM 150 CE2 TRP A 11 -4.476 6.453 3.120 1.00 0.00 C ATOM 151 CE3 TRP A 11 -4.081 5.511 0.927 1.00 0.00 C ATOM 152 CZ2 TRP A 11 -5.793 5.985 3.103 1.00 0.00 C ATOM 153 CZ3 TRP A 11 -5.404 5.041 0.906 1.00 0.00 C ATOM 154 CH2 TRP A 11 -6.258 5.278 1.992 1.00 0.00 C ATOM 0 HA TRP A 11 0.074 8.471 0.659 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.041 5.989 0.855 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.183 6.766 2.171 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.663 7.921 4.109 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.072 7.483 4.937 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.432 5.322 0.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.446 6.169 3.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.766 4.494 0.048 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.275 4.914 1.970 1.00 0.00 H new ATOM 165 N TYR A 12 -2.063 8.870 -1.342 1.00 0.00 N ATOM 166 CA TYR A 12 -2.588 8.676 -2.723 1.00 0.00 C ATOM 167 C TYR A 12 -1.546 9.129 -3.750 1.00 0.00 C ATOM 168 O TYR A 12 -1.259 10.301 -3.884 1.00 0.00 O ATOM 169 CB TYR A 12 -3.864 9.502 -2.898 1.00 0.00 C ATOM 170 CG TYR A 12 -4.382 9.348 -4.308 1.00 0.00 C ATOM 171 CD1 TYR A 12 -3.812 10.092 -5.349 1.00 0.00 C ATOM 172 CD2 TYR A 12 -5.433 8.462 -4.575 1.00 0.00 C ATOM 173 CE1 TYR A 12 -4.294 9.950 -6.655 1.00 0.00 C ATOM 174 CE2 TYR A 12 -5.914 8.320 -5.883 1.00 0.00 C ATOM 175 CZ TYR A 12 -5.344 9.065 -6.922 1.00 0.00 C ATOM 176 OH TYR A 12 -5.819 8.926 -8.211 1.00 0.00 O ATOM 0 H TYR A 12 -2.203 9.802 -0.952 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.805 7.619 -2.878 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.621 9.175 -2.185 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.660 10.552 -2.688 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.001 10.775 -5.144 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -5.873 7.888 -3.773 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.855 10.524 -7.458 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.724 7.636 -6.090 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.569 8.295 -8.217 1.00 0.00 H new ATOM 186 N HIS A 13 -0.985 8.205 -4.482 1.00 0.00 N ATOM 187 CA HIS A 13 0.031 8.575 -5.510 1.00 0.00 C ATOM 188 C HIS A 13 -0.532 8.286 -6.905 1.00 0.00 C ATOM 189 O HIS A 13 -1.341 7.397 -7.088 1.00 0.00 O ATOM 190 CB HIS A 13 1.304 7.754 -5.296 1.00 0.00 C ATOM 191 CG HIS A 13 2.418 8.660 -4.848 1.00 0.00 C ATOM 192 ND1 HIS A 13 2.730 9.835 -5.514 1.00 0.00 N ATOM 193 CD2 HIS A 13 3.304 8.576 -3.804 1.00 0.00 C ATOM 194 CE1 HIS A 13 3.764 10.405 -4.869 1.00 0.00 C ATOM 195 NE2 HIS A 13 4.153 9.678 -3.818 1.00 0.00 N ATOM 0 H HIS A 13 -1.187 7.208 -4.413 1.00 0.00 H new ATOM 0 HA HIS A 13 0.267 9.635 -5.421 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.128 6.980 -4.549 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.582 7.248 -6.220 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.337 7.775 -3.080 1.00 0.00 H new ATOM 0 HE1 HIS A 13 4.223 11.337 -5.165 1.00 0.00 H new ATOM 0 HE2 HIS A 13 4.909 9.886 -3.166 1.00 0.00 H new ATOM 203 N ALA A 14 -0.111 9.033 -7.888 1.00 0.00 N ATOM 204 CA ALA A 14 -0.621 8.807 -9.272 1.00 0.00 C ATOM 205 C ALA A 14 -0.284 7.384 -9.720 1.00 0.00 C ATOM 206 O ALA A 14 0.164 6.566 -8.940 1.00 0.00 O ATOM 207 CB ALA A 14 0.033 9.811 -10.224 1.00 0.00 C ATOM 0 H ALA A 14 0.565 9.791 -7.794 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.703 8.941 -9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.338 9.648 -11.236 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.211 10.825 -9.907 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.115 9.676 -10.208 1.00 0.00 H new ATOM 213 N SER A 15 -0.498 7.081 -10.972 1.00 0.00 N ATOM 214 CA SER A 15 -0.193 5.710 -11.471 1.00 0.00 C ATOM 215 C SER A 15 1.142 5.724 -12.217 1.00 0.00 C ATOM 216 O SER A 15 1.264 6.298 -13.280 1.00 0.00 O ATOM 217 CB SER A 15 -1.304 5.254 -12.419 1.00 0.00 C ATOM 218 OG SER A 15 -0.836 4.161 -13.200 1.00 0.00 O ATOM 0 H SER A 15 -0.871 7.724 -11.671 1.00 0.00 H new ATOM 0 HA SER A 15 -0.130 5.022 -10.628 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.185 4.958 -11.850 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.605 6.077 -13.067 1.00 0.00 H new ATOM 0 HG SER A 15 -1.481 3.968 -13.913 1.00 0.00 H new ATOM 224 N LEU A 16 2.143 5.096 -11.667 1.00 0.00 N ATOM 225 CA LEU A 16 3.470 5.071 -12.343 1.00 0.00 C ATOM 226 C LEU A 16 3.579 3.809 -13.202 1.00 0.00 C ATOM 227 O LEU A 16 2.695 2.976 -13.212 1.00 0.00 O ATOM 228 CB LEU A 16 4.581 5.069 -11.289 1.00 0.00 C ATOM 229 CG LEU A 16 4.244 6.078 -10.189 1.00 0.00 C ATOM 230 CD1 LEU A 16 3.420 5.390 -9.099 1.00 0.00 C ATOM 231 CD2 LEU A 16 5.538 6.620 -9.578 1.00 0.00 C ATOM 0 H LEU A 16 2.100 4.598 -10.778 1.00 0.00 H new ATOM 0 HA LEU A 16 3.573 5.953 -12.976 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.689 4.072 -10.862 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.535 5.324 -11.751 1.00 0.00 H new ATOM 0 HG LEU A 16 3.670 6.900 -10.617 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.180 6.109 -8.316 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.497 5.002 -9.531 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.995 4.568 -8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.297 7.339 -8.795 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.112 5.797 -9.152 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.128 7.111 -10.352 1.00 0.00 H new ATOM 243 N THR A 17 4.655 3.662 -13.926 1.00 0.00 N ATOM 244 CA THR A 17 4.813 2.451 -14.785 1.00 0.00 C ATOM 245 C THR A 17 5.003 1.218 -13.898 1.00 0.00 C ATOM 246 O THR A 17 4.896 1.289 -12.690 1.00 0.00 O ATOM 247 CB THR A 17 6.034 2.618 -15.695 1.00 0.00 C ATOM 248 OG1 THR A 17 6.532 3.944 -15.583 1.00 0.00 O ATOM 249 CG2 THR A 17 5.632 2.344 -17.144 1.00 0.00 C ATOM 0 H THR A 17 5.430 4.325 -13.961 1.00 0.00 H new ATOM 0 HA THR A 17 3.921 2.326 -15.399 1.00 0.00 H new ATOM 0 HB THR A 17 6.809 1.913 -15.394 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.314 4.050 -16.164 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.501 2.463 -17.791 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.252 1.326 -17.230 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.856 3.048 -17.446 1.00 0.00 H new ATOM 257 N ARG A 18 5.286 0.088 -14.488 1.00 0.00 N ATOM 258 CA ARG A 18 5.483 -1.146 -13.676 1.00 0.00 C ATOM 259 C ARG A 18 6.932 -1.208 -13.187 1.00 0.00 C ATOM 260 O ARG A 18 7.391 -2.221 -12.700 1.00 0.00 O ATOM 261 CB ARG A 18 5.181 -2.379 -14.531 1.00 0.00 C ATOM 262 CG ARG A 18 4.392 -3.392 -13.699 1.00 0.00 C ATOM 263 CD ARG A 18 4.734 -4.811 -14.159 1.00 0.00 C ATOM 264 NE ARG A 18 4.588 -5.753 -13.014 1.00 0.00 N ATOM 265 CZ ARG A 18 4.537 -7.040 -13.229 1.00 0.00 C ATOM 266 NH1 ARG A 18 3.578 -7.543 -13.958 1.00 0.00 N ATOM 267 NH2 ARG A 18 5.446 -7.823 -12.715 1.00 0.00 N ATOM 0 H ARG A 18 5.389 -0.033 -15.495 1.00 0.00 H new ATOM 0 HA ARG A 18 4.809 -1.126 -12.820 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.609 -2.092 -15.414 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.110 -2.827 -14.885 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.630 -3.274 -12.642 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.322 -3.212 -13.807 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.076 -5.109 -14.975 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.753 -4.844 -14.544 1.00 0.00 H new ATOM 0 HE ARG A 18 4.528 -5.392 -12.062 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.868 -6.931 -14.360 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.539 -8.548 -14.126 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.195 -7.429 -12.146 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.407 -8.828 -12.882 1.00 0.00 H new ATOM 281 N ALA A 19 7.657 -0.129 -13.312 1.00 0.00 N ATOM 282 CA ALA A 19 9.072 -0.124 -12.854 1.00 0.00 C ATOM 283 C ALA A 19 9.387 1.221 -12.195 1.00 0.00 C ATOM 284 O ALA A 19 10.060 1.286 -11.185 1.00 0.00 O ATOM 285 CB ALA A 19 10.000 -0.337 -14.052 1.00 0.00 C ATOM 0 H ALA A 19 7.328 0.749 -13.712 1.00 0.00 H new ATOM 0 HA ALA A 19 9.224 -0.928 -12.133 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.036 -0.333 -13.715 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.775 -1.295 -14.521 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.851 0.465 -14.775 1.00 0.00 H new ATOM 291 N GLN A 20 8.906 2.295 -12.759 1.00 0.00 N ATOM 292 CA GLN A 20 9.175 3.635 -12.164 1.00 0.00 C ATOM 293 C GLN A 20 8.639 3.670 -10.731 1.00 0.00 C ATOM 294 O GLN A 20 9.110 4.420 -9.899 1.00 0.00 O ATOM 295 CB GLN A 20 8.476 4.712 -12.997 1.00 0.00 C ATOM 296 CG GLN A 20 9.474 5.815 -13.352 1.00 0.00 C ATOM 297 CD GLN A 20 9.757 6.669 -12.114 1.00 0.00 C ATOM 298 OE1 GLN A 20 8.913 6.807 -11.251 1.00 0.00 O ATOM 299 NE2 GLN A 20 10.918 7.252 -11.990 1.00 0.00 N ATOM 0 H GLN A 20 8.338 2.303 -13.606 1.00 0.00 H new ATOM 0 HA GLN A 20 10.249 3.822 -12.156 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.065 4.273 -13.906 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.639 5.131 -12.439 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.400 5.376 -13.723 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.074 6.438 -14.152 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.627 7.136 -12.714 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.117 7.823 -11.169 1.00 0.00 H new ATOM 308 N ALA A 21 7.655 2.864 -10.437 1.00 0.00 N ATOM 309 CA ALA A 21 7.087 2.850 -9.059 1.00 0.00 C ATOM 310 C ALA A 21 8.159 2.390 -8.069 1.00 0.00 C ATOM 311 O ALA A 21 8.268 2.907 -6.974 1.00 0.00 O ATOM 312 CB ALA A 21 5.902 1.884 -9.008 1.00 0.00 C ATOM 0 H ALA A 21 7.220 2.214 -11.092 1.00 0.00 H new ATOM 0 HA ALA A 21 6.753 3.853 -8.794 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.485 1.872 -8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.137 2.209 -9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.238 0.882 -9.273 1.00 0.00 H new ATOM 318 N GLU A 22 8.951 1.424 -8.443 1.00 0.00 N ATOM 319 CA GLU A 22 10.014 0.931 -7.523 1.00 0.00 C ATOM 320 C GLU A 22 11.215 1.879 -7.575 1.00 0.00 C ATOM 321 O GLU A 22 12.040 1.899 -6.684 1.00 0.00 O ATOM 322 CB GLU A 22 10.450 -0.473 -7.953 1.00 0.00 C ATOM 323 CG GLU A 22 9.219 -1.367 -8.121 1.00 0.00 C ATOM 324 CD GLU A 22 8.836 -1.434 -9.601 1.00 0.00 C ATOM 325 OE1 GLU A 22 9.574 -2.045 -10.356 1.00 0.00 O ATOM 326 OE2 GLU A 22 7.812 -0.873 -9.954 1.00 0.00 O ATOM 0 H GLU A 22 8.908 0.954 -9.347 1.00 0.00 H new ATOM 0 HA GLU A 22 9.626 0.894 -6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.004 -0.421 -8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.122 -0.899 -7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.429 -2.368 -7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.388 -0.973 -7.537 1.00 0.00 H new ATOM 333 N HIS A 23 11.320 2.662 -8.614 1.00 0.00 N ATOM 334 CA HIS A 23 12.471 3.605 -8.726 1.00 0.00 C ATOM 335 C HIS A 23 12.325 4.728 -7.695 1.00 0.00 C ATOM 336 O HIS A 23 13.239 5.020 -6.949 1.00 0.00 O ATOM 337 CB HIS A 23 12.498 4.209 -10.130 1.00 0.00 C ATOM 338 CG HIS A 23 12.810 3.134 -11.135 1.00 0.00 C ATOM 339 ND1 HIS A 23 12.480 3.259 -12.475 1.00 0.00 N ATOM 340 CD2 HIS A 23 13.421 1.911 -11.011 1.00 0.00 C ATOM 341 CE1 HIS A 23 12.890 2.140 -13.100 1.00 0.00 C ATOM 342 NE2 HIS A 23 13.469 1.284 -12.253 1.00 0.00 N ATOM 0 H HIS A 23 10.659 2.690 -9.390 1.00 0.00 H new ATOM 0 HA HIS A 23 13.398 3.063 -8.540 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.536 4.667 -10.359 1.00 0.00 H new ATOM 0 HB3 HIS A 23 13.247 4.999 -10.183 1.00 0.00 H new ATOM 0 HD2 HIS A 23 13.806 1.498 -10.090 1.00 0.00 H new ATOM 0 HE1 HIS A 23 12.766 1.956 -14.157 1.00 0.00 H new ATOM 0 HE2 HIS A 23 13.862 0.368 -12.470 1.00 0.00 H new ATOM 350 N MET A 24 11.188 5.365 -7.651 1.00 0.00 N ATOM 351 CA MET A 24 10.992 6.472 -6.671 1.00 0.00 C ATOM 352 C MET A 24 11.262 5.961 -5.253 1.00 0.00 C ATOM 353 O MET A 24 12.021 6.544 -4.506 1.00 0.00 O ATOM 354 CB MET A 24 9.552 6.984 -6.761 1.00 0.00 C ATOM 355 CG MET A 24 9.158 7.149 -8.231 1.00 0.00 C ATOM 356 SD MET A 24 8.135 8.629 -8.417 1.00 0.00 S ATOM 357 CE MET A 24 6.917 8.225 -7.142 1.00 0.00 C ATOM 0 H MET A 24 10.386 5.168 -8.250 1.00 0.00 H new ATOM 0 HA MET A 24 11.684 7.282 -6.901 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.875 6.286 -6.269 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.461 7.937 -6.240 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.051 7.230 -8.851 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.611 6.270 -8.573 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.973 8.719 -7.371 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.764 7.146 -7.113 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.279 8.566 -6.172 1.00 0.00 H new ATOM 367 N LEU A 25 10.640 4.878 -4.878 1.00 0.00 N ATOM 368 CA LEU A 25 10.850 4.328 -3.510 1.00 0.00 C ATOM 369 C LEU A 25 12.276 3.787 -3.377 1.00 0.00 C ATOM 370 O LEU A 25 12.779 3.603 -2.287 1.00 0.00 O ATOM 371 CB LEU A 25 9.850 3.199 -3.263 1.00 0.00 C ATOM 372 CG LEU A 25 8.605 3.758 -2.574 1.00 0.00 C ATOM 373 CD1 LEU A 25 8.936 4.108 -1.122 1.00 0.00 C ATOM 374 CD2 LEU A 25 8.139 5.019 -3.307 1.00 0.00 C ATOM 0 H LEU A 25 9.993 4.348 -5.462 1.00 0.00 H new ATOM 0 HA LEU A 25 10.701 5.120 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.575 2.730 -4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.305 2.426 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 25 7.813 3.009 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.048 4.506 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.268 3.212 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.729 4.856 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.251 5.418 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.932 5.766 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.901 4.772 -4.342 1.00 0.00 H new ATOM 386 N MET A 26 12.929 3.522 -4.474 1.00 0.00 N ATOM 387 CA MET A 26 14.316 2.989 -4.404 1.00 0.00 C ATOM 388 C MET A 26 15.258 4.073 -3.871 1.00 0.00 C ATOM 389 O MET A 26 16.348 3.790 -3.412 1.00 0.00 O ATOM 390 CB MET A 26 14.763 2.567 -5.804 1.00 0.00 C ATOM 391 CG MET A 26 16.236 2.162 -5.765 1.00 0.00 C ATOM 392 SD MET A 26 16.596 1.060 -7.156 1.00 0.00 S ATOM 393 CE MET A 26 17.828 0.031 -6.320 1.00 0.00 C ATOM 0 H MET A 26 12.561 3.652 -5.416 1.00 0.00 H new ATOM 0 HA MET A 26 14.343 2.129 -3.735 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.155 1.734 -6.157 1.00 0.00 H new ATOM 0 HB3 MET A 26 14.618 3.387 -6.507 1.00 0.00 H new ATOM 0 HG2 MET A 26 16.869 3.048 -5.816 1.00 0.00 H new ATOM 0 HG3 MET A 26 16.462 1.662 -4.823 1.00 0.00 H new ATOM 0 HE1 MET A 26 18.192 -0.732 -7.008 1.00 0.00 H new ATOM 0 HE2 MET A 26 18.661 0.654 -5.994 1.00 0.00 H new ATOM 0 HE3 MET A 26 17.373 -0.449 -5.454 1.00 0.00 H new ATOM 403 N ARG A 27 14.852 5.312 -3.937 1.00 0.00 N ATOM 404 CA ARG A 27 15.727 6.417 -3.445 1.00 0.00 C ATOM 405 C ARG A 27 15.726 6.457 -1.913 1.00 0.00 C ATOM 406 O ARG A 27 16.449 7.222 -1.306 1.00 0.00 O ATOM 407 CB ARG A 27 15.207 7.753 -3.981 1.00 0.00 C ATOM 408 CG ARG A 27 15.612 7.912 -5.448 1.00 0.00 C ATOM 409 CD ARG A 27 15.315 9.341 -5.907 1.00 0.00 C ATOM 410 NE ARG A 27 13.865 9.632 -5.726 1.00 0.00 N ATOM 411 CZ ARG A 27 13.440 10.866 -5.748 1.00 0.00 C ATOM 412 NH1 ARG A 27 13.793 11.693 -4.803 1.00 0.00 N ATOM 413 NH2 ARG A 27 12.663 11.273 -6.713 1.00 0.00 N ATOM 0 H ARG A 27 13.950 5.608 -4.311 1.00 0.00 H new ATOM 0 HA ARG A 27 16.744 6.243 -3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.122 7.796 -3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.612 8.575 -3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.673 7.693 -5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.066 7.199 -6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.913 10.050 -5.334 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.593 9.463 -6.954 1.00 0.00 H new ATOM 0 HE ARG A 27 13.205 8.867 -5.585 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.401 11.375 -4.048 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.461 12.657 -4.819 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.386 10.627 -7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.332 12.238 -6.729 1.00 0.00 H new ATOM 427 N VAL A 28 14.920 5.648 -1.278 1.00 0.00 N ATOM 428 CA VAL A 28 14.882 5.661 0.214 1.00 0.00 C ATOM 429 C VAL A 28 14.910 4.227 0.750 1.00 0.00 C ATOM 430 O VAL A 28 13.998 3.805 1.423 1.00 0.00 O ATOM 431 CB VAL A 28 13.596 6.350 0.685 1.00 0.00 C ATOM 432 CG1 VAL A 28 12.384 5.627 0.103 1.00 0.00 C ATOM 433 CG2 VAL A 28 13.526 6.310 2.213 1.00 0.00 C ATOM 0 H VAL A 28 14.289 4.982 -1.725 1.00 0.00 H new ATOM 0 HA VAL A 28 15.751 6.203 0.588 1.00 0.00 H new ATOM 0 HB VAL A 28 13.597 7.386 0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.471 6.119 0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.432 5.655 -0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.383 4.590 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.612 6.800 2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.527 5.273 2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.389 6.828 2.630 1.00 0.00 H new ATOM 443 N PRO A 29 15.960 3.522 0.436 1.00 0.00 N ATOM 444 CA PRO A 29 16.184 2.114 0.858 1.00 0.00 C ATOM 445 C PRO A 29 16.686 2.067 2.305 1.00 0.00 C ATOM 446 O PRO A 29 17.869 2.159 2.562 1.00 0.00 O ATOM 447 CB PRO A 29 17.249 1.570 -0.091 1.00 0.00 C ATOM 448 CG PRO A 29 18.009 2.790 -0.623 1.00 0.00 C ATOM 449 CD PRO A 29 17.101 4.006 -0.389 1.00 0.00 C ATOM 0 HA PRO A 29 15.267 1.527 0.817 1.00 0.00 H new ATOM 0 HB2 PRO A 29 17.922 0.888 0.429 1.00 0.00 H new ATOM 0 HB3 PRO A 29 16.794 1.009 -0.907 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.960 2.911 -0.105 1.00 0.00 H new ATOM 0 HG3 PRO A 29 18.236 2.674 -1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.641 4.802 0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.750 4.417 -1.335 1.00 0.00 H new ATOM 457 N ARG A 30 15.799 1.922 3.256 1.00 0.00 N ATOM 458 CA ARG A 30 16.246 1.868 4.678 1.00 0.00 C ATOM 459 C ARG A 30 15.033 1.881 5.617 1.00 0.00 C ATOM 460 O ARG A 30 15.059 2.500 6.662 1.00 0.00 O ATOM 461 CB ARG A 30 17.134 3.079 4.975 1.00 0.00 C ATOM 462 CG ARG A 30 18.542 2.602 5.337 1.00 0.00 C ATOM 463 CD ARG A 30 19.558 3.266 4.407 1.00 0.00 C ATOM 464 NE ARG A 30 20.545 4.033 5.218 1.00 0.00 N ATOM 465 CZ ARG A 30 21.662 4.435 4.676 1.00 0.00 C ATOM 466 NH1 ARG A 30 22.691 3.635 4.631 1.00 0.00 N ATOM 467 NH2 ARG A 30 21.749 5.637 4.177 1.00 0.00 N ATOM 0 H ARG A 30 14.793 1.839 3.110 1.00 0.00 H new ATOM 0 HA ARG A 30 16.808 0.948 4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.173 3.736 4.106 1.00 0.00 H new ATOM 0 HB3 ARG A 30 16.713 3.660 5.796 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.766 2.850 6.375 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.605 1.518 5.247 1.00 0.00 H new ATOM 0 HD2 ARG A 30 20.070 2.510 3.811 1.00 0.00 H new ATOM 0 HD3 ARG A 30 19.049 3.931 3.710 1.00 0.00 H new ATOM 0 HE ARG A 30 20.348 4.244 6.196 1.00 0.00 H new ATOM 0 HH11 ARG A 30 22.623 2.694 5.020 1.00 0.00 H new ATOM 0 HH12 ARG A 30 23.564 3.950 4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 30 20.944 6.263 4.210 1.00 0.00 H new ATOM 0 HH22 ARG A 30 22.622 5.951 3.753 1.00 0.00 H new ATOM 481 N ASP A 31 13.976 1.197 5.262 1.00 0.00 N ATOM 482 CA ASP A 31 12.773 1.171 6.147 1.00 0.00 C ATOM 483 C ASP A 31 11.589 0.557 5.398 1.00 0.00 C ATOM 484 O ASP A 31 11.589 0.473 4.193 1.00 0.00 O ATOM 485 CB ASP A 31 12.418 2.598 6.569 1.00 0.00 C ATOM 486 CG ASP A 31 12.569 2.732 8.085 1.00 0.00 C ATOM 487 OD1 ASP A 31 12.199 1.801 8.780 1.00 0.00 O ATOM 488 OD2 ASP A 31 13.053 3.761 8.524 1.00 0.00 O ATOM 0 H ASP A 31 13.894 0.657 4.401 1.00 0.00 H new ATOM 0 HA ASP A 31 12.993 0.570 7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.069 3.311 6.063 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.396 2.833 6.272 1.00 0.00 H new ATOM 493 N GLY A 32 10.575 0.138 6.104 1.00 0.00 N ATOM 494 CA GLY A 32 9.386 -0.461 5.431 1.00 0.00 C ATOM 495 C GLY A 32 8.351 0.637 5.205 1.00 0.00 C ATOM 496 O GLY A 32 7.221 0.543 5.638 1.00 0.00 O ATOM 0 H GLY A 32 10.518 0.185 7.121 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.675 -0.910 4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.965 -1.257 6.045 1.00 0.00 H new ATOM 500 N ALA A 33 8.738 1.684 4.537 1.00 0.00 N ATOM 501 CA ALA A 33 7.790 2.811 4.298 1.00 0.00 C ATOM 502 C ALA A 33 6.620 2.335 3.439 1.00 0.00 C ATOM 503 O ALA A 33 6.799 1.684 2.429 1.00 0.00 O ATOM 504 CB ALA A 33 8.521 3.949 3.581 1.00 0.00 C ATOM 0 H ALA A 33 9.671 1.811 4.144 1.00 0.00 H new ATOM 0 HA ALA A 33 7.409 3.167 5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.829 4.773 3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.349 4.296 4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.906 3.590 2.627 1.00 0.00 H new ATOM 510 N PHE A 34 5.418 2.645 3.846 1.00 0.00 N ATOM 511 CA PHE A 34 4.231 2.198 3.064 1.00 0.00 C ATOM 512 C PHE A 34 3.567 3.382 2.352 1.00 0.00 C ATOM 513 O PHE A 34 3.426 4.457 2.902 1.00 0.00 O ATOM 514 CB PHE A 34 3.223 1.557 4.012 1.00 0.00 C ATOM 515 CG PHE A 34 2.706 2.601 4.974 1.00 0.00 C ATOM 516 CD1 PHE A 34 1.590 3.374 4.635 1.00 0.00 C ATOM 517 CD2 PHE A 34 3.346 2.797 6.204 1.00 0.00 C ATOM 518 CE1 PHE A 34 1.113 4.343 5.526 1.00 0.00 C ATOM 519 CE2 PHE A 34 2.868 3.765 7.094 1.00 0.00 C ATOM 520 CZ PHE A 34 1.751 4.538 6.756 1.00 0.00 C ATOM 0 H PHE A 34 5.208 3.187 4.684 1.00 0.00 H new ATOM 0 HA PHE A 34 4.559 1.480 2.313 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.397 1.127 3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.692 0.741 4.561 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.097 3.223 3.686 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.208 2.201 6.465 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.252 4.940 5.264 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.361 3.916 8.043 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.382 5.284 7.444 1.00 0.00 H new ATOM 530 N LEU A 35 3.146 3.175 1.133 1.00 0.00 N ATOM 531 CA LEU A 35 2.470 4.259 0.362 1.00 0.00 C ATOM 532 C LEU A 35 1.431 3.625 -0.569 1.00 0.00 C ATOM 533 O LEU A 35 1.517 2.458 -0.897 1.00 0.00 O ATOM 534 CB LEU A 35 3.500 5.025 -0.479 1.00 0.00 C ATOM 535 CG LEU A 35 4.818 5.142 0.289 1.00 0.00 C ATOM 536 CD1 LEU A 35 5.940 5.519 -0.680 1.00 0.00 C ATOM 537 CD2 LEU A 35 4.690 6.226 1.362 1.00 0.00 C ATOM 0 H LEU A 35 3.243 2.291 0.633 1.00 0.00 H new ATOM 0 HA LEU A 35 1.988 4.951 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.665 4.510 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.120 6.018 -0.719 1.00 0.00 H new ATOM 0 HG LEU A 35 5.048 4.187 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.880 5.603 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.033 4.749 -1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.708 6.474 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.629 6.309 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.460 7.181 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.890 5.961 2.053 1.00 0.00 H new ATOM 549 N VAL A 36 0.450 4.374 -1.000 1.00 0.00 N ATOM 550 CA VAL A 36 -0.581 3.788 -1.909 1.00 0.00 C ATOM 551 C VAL A 36 -0.618 4.574 -3.220 1.00 0.00 C ATOM 552 O VAL A 36 -0.100 5.668 -3.311 1.00 0.00 O ATOM 553 CB VAL A 36 -1.955 3.852 -1.241 1.00 0.00 C ATOM 554 CG1 VAL A 36 -2.904 2.871 -1.932 1.00 0.00 C ATOM 555 CG2 VAL A 36 -1.822 3.477 0.236 1.00 0.00 C ATOM 0 H VAL A 36 0.318 5.358 -0.765 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.326 2.748 -2.115 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.353 4.863 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.884 2.916 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.999 3.137 -2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.506 1.860 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.801 3.523 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.424 2.466 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.146 4.175 0.729 1.00 0.00 H new ATOM 565 N ARG A 37 -1.230 4.026 -4.236 1.00 0.00 N ATOM 566 CA ARG A 37 -1.302 4.745 -5.537 1.00 0.00 C ATOM 567 C ARG A 37 -2.352 4.081 -6.426 1.00 0.00 C ATOM 568 O ARG A 37 -3.014 3.145 -6.025 1.00 0.00 O ATOM 569 CB ARG A 37 0.060 4.692 -6.231 1.00 0.00 C ATOM 570 CG ARG A 37 0.450 3.235 -6.480 1.00 0.00 C ATOM 571 CD ARG A 37 1.943 3.050 -6.200 1.00 0.00 C ATOM 572 NE ARG A 37 2.675 4.296 -6.562 1.00 0.00 N ATOM 573 CZ ARG A 37 3.892 4.485 -6.133 1.00 0.00 C ATOM 574 NH1 ARG A 37 4.094 5.047 -4.974 1.00 0.00 N ATOM 575 NH2 ARG A 37 4.908 4.113 -6.863 1.00 0.00 N ATOM 0 H ARG A 37 -1.682 3.112 -4.219 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.577 5.785 -5.361 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.020 5.235 -7.175 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.814 5.181 -5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.135 2.576 -5.838 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.226 2.959 -7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.100 2.816 -5.147 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.330 2.208 -6.774 1.00 0.00 H new ATOM 0 HE ARG A 37 2.224 5.001 -7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.300 5.339 -4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.046 5.195 -4.638 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.751 3.674 -7.770 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.859 4.261 -6.526 1.00 0.00 H new ATOM 589 N LYS A 38 -2.510 4.556 -7.629 1.00 0.00 N ATOM 590 CA LYS A 38 -3.521 3.949 -8.536 1.00 0.00 C ATOM 591 C LYS A 38 -2.815 3.237 -9.688 1.00 0.00 C ATOM 592 O LYS A 38 -1.602 3.199 -9.762 1.00 0.00 O ATOM 593 CB LYS A 38 -4.430 5.044 -9.098 1.00 0.00 C ATOM 594 CG LYS A 38 -4.809 6.018 -7.981 1.00 0.00 C ATOM 595 CD LYS A 38 -5.947 5.425 -7.148 1.00 0.00 C ATOM 596 CE LYS A 38 -5.481 5.242 -5.702 1.00 0.00 C ATOM 597 NZ LYS A 38 -6.629 4.803 -4.859 1.00 0.00 N ATOM 0 H LYS A 38 -1.984 5.336 -8.022 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.120 3.230 -7.976 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.921 5.576 -9.902 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.328 4.600 -9.528 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.944 6.214 -7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.116 6.974 -8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.816 6.082 -7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.256 4.467 -7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.681 4.503 -5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.073 6.177 -5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.284 4.533 -3.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.311 5.583 -4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.094 3.987 -5.304 1.00 0.00 H new ATOM 611 N ARG A 39 -3.569 2.674 -10.587 1.00 0.00 N ATOM 612 CA ARG A 39 -2.953 1.962 -11.742 1.00 0.00 C ATOM 613 C ARG A 39 -3.588 2.476 -13.038 1.00 0.00 C ATOM 614 O ARG A 39 -4.101 3.576 -13.089 1.00 0.00 O ATOM 615 CB ARG A 39 -3.207 0.456 -11.596 1.00 0.00 C ATOM 616 CG ARG A 39 -1.878 -0.290 -11.420 1.00 0.00 C ATOM 617 CD ARG A 39 -0.850 0.231 -12.427 1.00 0.00 C ATOM 618 NE ARG A 39 -0.245 -0.916 -13.160 1.00 0.00 N ATOM 619 CZ ARG A 39 0.442 -0.705 -14.249 1.00 0.00 C ATOM 620 NH1 ARG A 39 1.572 -0.054 -14.191 1.00 0.00 N ATOM 621 NH2 ARG A 39 0.001 -1.143 -15.397 1.00 0.00 N ATOM 0 H ARG A 39 -4.589 2.675 -10.573 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.879 2.144 -11.768 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.853 0.270 -10.738 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.729 0.081 -12.476 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.506 -0.154 -10.404 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.030 -1.360 -11.563 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.328 0.914 -13.130 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.074 0.796 -11.911 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.368 -1.866 -12.811 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.917 0.289 -13.295 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.110 0.111 -15.042 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.882 -1.651 -15.444 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.540 -0.977 -16.247 1.00 0.00 H new ATOM 635 N ASN A 40 -3.561 1.695 -14.085 1.00 0.00 N ATOM 636 CA ASN A 40 -4.170 2.152 -15.368 1.00 0.00 C ATOM 637 C ASN A 40 -5.674 1.849 -15.364 1.00 0.00 C ATOM 638 O ASN A 40 -6.245 1.491 -16.375 1.00 0.00 O ATOM 639 CB ASN A 40 -3.506 1.418 -16.536 1.00 0.00 C ATOM 640 CG ASN A 40 -3.396 2.363 -17.734 1.00 0.00 C ATOM 641 OD1 ASN A 40 -3.709 3.532 -17.632 1.00 0.00 O ATOM 642 ND2 ASN A 40 -2.960 1.902 -18.875 1.00 0.00 N ATOM 0 H ASN A 40 -3.145 0.764 -14.108 1.00 0.00 H new ATOM 0 HA ASN A 40 -4.019 3.226 -15.477 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.516 1.067 -16.244 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.090 0.538 -16.806 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.882 2.524 -19.680 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.697 0.920 -18.961 1.00 0.00 H new ATOM 649 N GLU A 41 -6.322 1.996 -14.238 1.00 0.00 N ATOM 650 CA GLU A 41 -7.784 1.724 -14.170 1.00 0.00 C ATOM 651 C GLU A 41 -8.396 2.560 -13.043 1.00 0.00 C ATOM 652 O GLU A 41 -7.714 2.936 -12.111 1.00 0.00 O ATOM 653 CB GLU A 41 -8.016 0.237 -13.891 1.00 0.00 C ATOM 654 CG GLU A 41 -7.454 -0.593 -15.046 1.00 0.00 C ATOM 655 CD GLU A 41 -7.979 -2.026 -14.950 1.00 0.00 C ATOM 656 OE1 GLU A 41 -7.773 -2.643 -13.918 1.00 0.00 O ATOM 657 OE2 GLU A 41 -8.581 -2.483 -15.908 1.00 0.00 O ATOM 0 H GLU A 41 -5.897 2.294 -13.360 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.252 1.988 -15.118 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.534 -0.048 -12.956 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.082 0.040 -13.773 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.744 -0.152 -15.999 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.365 -0.591 -15.012 1.00 0.00 H new ATOM 664 N PRO A 42 -9.666 2.829 -13.171 1.00 0.00 N ATOM 665 CA PRO A 42 -10.462 3.629 -12.204 1.00 0.00 C ATOM 666 C PRO A 42 -10.850 2.778 -10.995 1.00 0.00 C ATOM 667 O PRO A 42 -11.460 3.256 -10.059 1.00 0.00 O ATOM 668 CB PRO A 42 -11.713 4.062 -12.964 1.00 0.00 C ATOM 669 CG PRO A 42 -11.889 3.051 -14.102 1.00 0.00 C ATOM 670 CD PRO A 42 -10.522 2.379 -14.302 1.00 0.00 C ATOM 0 HA PRO A 42 -9.897 4.482 -11.828 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.584 4.068 -12.309 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.601 5.073 -13.355 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.651 2.313 -13.851 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.215 3.548 -15.016 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.620 1.293 -14.308 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.084 2.665 -15.259 1.00 0.00 H new ATOM 678 N ASN A 43 -10.509 1.521 -11.005 1.00 0.00 N ATOM 679 CA ASN A 43 -10.873 0.648 -9.850 1.00 0.00 C ATOM 680 C ASN A 43 -9.641 -0.094 -9.333 1.00 0.00 C ATOM 681 O ASN A 43 -9.577 -0.490 -8.186 1.00 0.00 O ATOM 682 CB ASN A 43 -11.933 -0.367 -10.288 1.00 0.00 C ATOM 683 CG ASN A 43 -12.825 0.252 -11.365 1.00 0.00 C ATOM 684 OD1 ASN A 43 -12.587 0.075 -12.543 1.00 0.00 O ATOM 685 ND2 ASN A 43 -13.850 0.978 -11.010 1.00 0.00 N ATOM 0 H ASN A 43 -9.997 1.060 -11.757 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.270 1.273 -9.050 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.452 -1.266 -10.673 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.536 -0.670 -9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.450 1.396 -11.721 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.051 1.127 -10.021 1.00 0.00 H new ATOM 692 N SER A 44 -8.668 -0.290 -10.169 1.00 0.00 N ATOM 693 CA SER A 44 -7.439 -1.012 -9.732 1.00 0.00 C ATOM 694 C SER A 44 -6.575 -0.092 -8.863 1.00 0.00 C ATOM 695 O SER A 44 -6.338 1.051 -9.197 1.00 0.00 O ATOM 696 CB SER A 44 -6.640 -1.442 -10.963 1.00 0.00 C ATOM 697 OG SER A 44 -5.849 -0.351 -11.412 1.00 0.00 O ATOM 0 H SER A 44 -8.666 0.018 -11.141 1.00 0.00 H new ATOM 0 HA SER A 44 -7.725 -1.889 -9.152 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.003 -2.292 -10.719 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.316 -1.767 -11.754 1.00 0.00 H new ATOM 0 HG SER A 44 -6.089 0.456 -10.910 1.00 0.00 H new ATOM 703 N TYR A 45 -6.094 -0.590 -7.757 1.00 0.00 N ATOM 704 CA TYR A 45 -5.233 0.245 -6.869 1.00 0.00 C ATOM 705 C TYR A 45 -3.987 -0.558 -6.500 1.00 0.00 C ATOM 706 O TYR A 45 -3.865 -1.713 -6.856 1.00 0.00 O ATOM 707 CB TYR A 45 -6.002 0.608 -5.597 1.00 0.00 C ATOM 708 CG TYR A 45 -7.327 1.230 -5.966 1.00 0.00 C ATOM 709 CD1 TYR A 45 -7.389 2.188 -6.985 1.00 0.00 C ATOM 710 CD2 TYR A 45 -8.491 0.849 -5.288 1.00 0.00 C ATOM 711 CE1 TYR A 45 -8.618 2.766 -7.327 1.00 0.00 C ATOM 712 CE2 TYR A 45 -9.719 1.426 -5.630 1.00 0.00 C ATOM 713 CZ TYR A 45 -9.783 2.385 -6.650 1.00 0.00 C ATOM 714 OH TYR A 45 -10.994 2.954 -6.987 1.00 0.00 O ATOM 0 H TYR A 45 -6.260 -1.541 -7.428 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.948 1.162 -7.385 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.164 -0.283 -4.991 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.418 1.303 -4.993 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.490 2.481 -7.507 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.441 0.110 -4.502 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.667 3.505 -8.113 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.618 1.132 -5.108 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.025 3.109 -7.954 1.00 0.00 H new ATOM 724 N ALA A 46 -3.058 0.028 -5.793 1.00 0.00 N ATOM 725 CA ALA A 46 -1.838 -0.739 -5.424 1.00 0.00 C ATOM 726 C ALA A 46 -1.101 -0.043 -4.280 1.00 0.00 C ATOM 727 O ALA A 46 -0.831 1.138 -4.332 1.00 0.00 O ATOM 728 CB ALA A 46 -0.912 -0.837 -6.638 1.00 0.00 C ATOM 0 H ALA A 46 -3.091 0.991 -5.460 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.132 -1.738 -5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.018 -1.399 -6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.430 -1.347 -7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.628 0.165 -6.961 1.00 0.00 H new ATOM 734 N ILE A 47 -0.763 -0.772 -3.253 1.00 0.00 N ATOM 735 CA ILE A 47 -0.035 -0.151 -2.112 1.00 0.00 C ATOM 736 C ILE A 47 1.467 -0.378 -2.289 1.00 0.00 C ATOM 737 O ILE A 47 1.974 -1.458 -2.057 1.00 0.00 O ATOM 738 CB ILE A 47 -0.498 -0.780 -0.796 1.00 0.00 C ATOM 739 CG1 ILE A 47 -2.016 -0.623 -0.663 1.00 0.00 C ATOM 740 CG2 ILE A 47 0.191 -0.077 0.375 1.00 0.00 C ATOM 741 CD1 ILE A 47 -2.531 -1.540 0.449 1.00 0.00 C ATOM 0 H ILE A 47 -0.959 -1.768 -3.155 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.244 0.919 -2.088 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.239 -1.839 -0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.266 0.414 -0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.502 -0.871 -1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.138 -0.525 1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.271 -0.186 0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.068 0.982 0.367 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.611 -1.427 0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.294 -2.576 0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.055 -1.271 1.392 1.00 0.00 H new ATOM 753 N SER A 48 2.182 0.631 -2.704 1.00 0.00 N ATOM 754 CA SER A 48 3.650 0.474 -2.901 1.00 0.00 C ATOM 755 C SER A 48 4.376 0.781 -1.589 1.00 0.00 C ATOM 756 O SER A 48 4.388 1.905 -1.126 1.00 0.00 O ATOM 757 CB SER A 48 4.122 1.442 -3.986 1.00 0.00 C ATOM 758 OG SER A 48 3.847 2.775 -3.577 1.00 0.00 O ATOM 0 H SER A 48 1.813 1.558 -2.915 1.00 0.00 H new ATOM 0 HA SER A 48 3.871 -0.549 -3.206 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.190 1.316 -4.162 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.616 1.226 -4.927 1.00 0.00 H new ATOM 0 HG SER A 48 4.181 2.913 -2.666 1.00 0.00 H new ATOM 764 N PHE A 49 4.981 -0.206 -0.985 1.00 0.00 N ATOM 765 CA PHE A 49 5.703 0.040 0.294 1.00 0.00 C ATOM 766 C PHE A 49 7.114 -0.539 0.205 1.00 0.00 C ATOM 767 O PHE A 49 7.305 -1.737 0.140 1.00 0.00 O ATOM 768 CB PHE A 49 4.950 -0.625 1.449 1.00 0.00 C ATOM 769 CG PHE A 49 4.795 -2.102 1.178 1.00 0.00 C ATOM 770 CD1 PHE A 49 3.877 -2.542 0.219 1.00 0.00 C ATOM 771 CD2 PHE A 49 5.562 -3.029 1.892 1.00 0.00 C ATOM 772 CE1 PHE A 49 3.727 -3.910 -0.028 1.00 0.00 C ATOM 773 CE2 PHE A 49 5.412 -4.399 1.647 1.00 0.00 C ATOM 774 CZ PHE A 49 4.494 -4.840 0.686 1.00 0.00 C ATOM 0 H PHE A 49 5.006 -1.169 -1.321 1.00 0.00 H new ATOM 0 HA PHE A 49 5.761 1.114 0.472 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.491 -0.473 2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.970 -0.164 1.569 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.284 -1.826 -0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.270 -2.687 2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.019 -4.250 -0.770 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.003 -5.115 2.198 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.377 -5.897 0.495 1.00 0.00 H new ATOM 784 N ARG A 50 8.107 0.307 0.204 1.00 0.00 N ATOM 785 CA ARG A 50 9.508 -0.186 0.121 1.00 0.00 C ATOM 786 C ARG A 50 9.953 -0.658 1.507 1.00 0.00 C ATOM 787 O ARG A 50 9.779 0.030 2.498 1.00 0.00 O ATOM 788 CB ARG A 50 10.407 0.949 -0.375 1.00 0.00 C ATOM 789 CG ARG A 50 11.872 0.646 -0.050 1.00 0.00 C ATOM 790 CD ARG A 50 12.248 1.295 1.283 1.00 0.00 C ATOM 791 NE ARG A 50 11.703 2.683 1.336 1.00 0.00 N ATOM 792 CZ ARG A 50 11.650 3.324 2.474 1.00 0.00 C ATOM 793 NH1 ARG A 50 12.319 2.883 3.502 1.00 0.00 N ATOM 794 NH2 ARG A 50 10.945 4.417 2.575 1.00 0.00 N ATOM 0 H ARG A 50 8.007 1.321 0.257 1.00 0.00 H new ATOM 0 HA ARG A 50 9.578 -1.022 -0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.285 1.076 -1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.110 1.888 0.092 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.028 -0.432 0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 50 12.516 1.023 -0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.852 0.706 2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.332 1.315 1.396 1.00 0.00 H new ATOM 0 HE ARG A 50 11.371 3.133 0.483 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.884 2.038 3.418 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.278 3.383 4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.435 4.772 1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.904 4.917 3.463 1.00 0.00 H new ATOM 808 N ALA A 51 10.518 -1.836 1.582 1.00 0.00 N ATOM 809 CA ALA A 51 10.966 -2.371 2.896 1.00 0.00 C ATOM 810 C ALA A 51 12.258 -3.167 2.711 1.00 0.00 C ATOM 811 O ALA A 51 12.540 -3.669 1.641 1.00 0.00 O ATOM 812 CB ALA A 51 9.882 -3.286 3.467 1.00 0.00 C ATOM 0 H ALA A 51 10.687 -2.450 0.785 1.00 0.00 H new ATOM 0 HA ALA A 51 11.146 -1.544 3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.208 -3.679 4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.960 -2.719 3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.704 -4.112 2.779 1.00 0.00 H new ATOM 818 N GLU A 52 13.044 -3.287 3.745 1.00 0.00 N ATOM 819 CA GLU A 52 14.316 -4.051 3.626 1.00 0.00 C ATOM 820 C GLU A 52 15.091 -3.551 2.403 1.00 0.00 C ATOM 821 O GLU A 52 15.102 -2.372 2.108 1.00 0.00 O ATOM 822 CB GLU A 52 14.000 -5.540 3.468 1.00 0.00 C ATOM 823 CG GLU A 52 12.986 -5.965 4.532 1.00 0.00 C ATOM 824 CD GLU A 52 11.589 -6.023 3.912 1.00 0.00 C ATOM 825 OE1 GLU A 52 11.503 -6.085 2.697 1.00 0.00 O ATOM 826 OE2 GLU A 52 10.628 -6.004 4.663 1.00 0.00 O ATOM 0 H GLU A 52 12.860 -2.889 4.666 1.00 0.00 H new ATOM 0 HA GLU A 52 14.921 -3.906 4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.601 -5.734 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.913 -6.128 3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.256 -6.940 4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.998 -5.260 5.363 1.00 0.00 H new ATOM 833 N GLY A 53 15.735 -4.430 1.687 1.00 0.00 N ATOM 834 CA GLY A 53 16.498 -3.992 0.485 1.00 0.00 C ATOM 835 C GLY A 53 15.737 -4.402 -0.777 1.00 0.00 C ATOM 836 O GLY A 53 16.313 -4.888 -1.729 1.00 0.00 O ATOM 0 H GLY A 53 15.766 -5.431 1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 53 16.638 -2.911 0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 53 17.491 -4.442 0.487 1.00 0.00 H new ATOM 840 N LYS A 54 14.445 -4.211 -0.792 1.00 0.00 N ATOM 841 CA LYS A 54 13.652 -4.592 -1.992 1.00 0.00 C ATOM 842 C LYS A 54 12.309 -3.859 -1.970 1.00 0.00 C ATOM 843 O LYS A 54 11.422 -4.193 -1.210 1.00 0.00 O ATOM 844 CB LYS A 54 13.409 -6.103 -1.981 1.00 0.00 C ATOM 845 CG LYS A 54 12.999 -6.567 -3.381 1.00 0.00 C ATOM 846 CD LYS A 54 14.219 -7.138 -4.107 1.00 0.00 C ATOM 847 CE LYS A 54 14.603 -6.213 -5.264 1.00 0.00 C ATOM 848 NZ LYS A 54 16.075 -5.980 -5.247 1.00 0.00 N ATOM 0 H LYS A 54 13.907 -3.808 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 54 14.200 -4.317 -2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.312 -6.625 -1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.629 -6.351 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.217 -7.323 -3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.584 -5.732 -3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.054 -7.237 -3.414 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.997 -8.136 -4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.306 -6.658 -6.213 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.073 -5.265 -5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.336 -5.351 -6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.346 -5.538 -4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.571 -6.888 -5.350 1.00 0.00 H new ATOM 862 N ILE A 55 12.153 -2.861 -2.796 1.00 0.00 N ATOM 863 CA ILE A 55 10.866 -2.110 -2.816 1.00 0.00 C ATOM 864 C ILE A 55 9.707 -3.090 -3.007 1.00 0.00 C ATOM 865 O ILE A 55 9.650 -3.819 -3.978 1.00 0.00 O ATOM 866 CB ILE A 55 10.880 -1.101 -3.967 1.00 0.00 C ATOM 867 CG1 ILE A 55 12.169 -0.277 -3.907 1.00 0.00 C ATOM 868 CG2 ILE A 55 9.675 -0.168 -3.842 1.00 0.00 C ATOM 869 CD1 ILE A 55 13.141 -0.774 -4.978 1.00 0.00 C ATOM 0 H ILE A 55 12.859 -2.534 -3.456 1.00 0.00 H new ATOM 0 HA ILE A 55 10.740 -1.579 -1.872 1.00 0.00 H new ATOM 0 HB ILE A 55 10.831 -1.633 -4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.946 0.778 -4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.623 -0.364 -2.920 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.685 0.551 -4.661 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.756 -0.753 -3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.724 0.364 -2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 55 14.059 -0.188 -4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.372 -1.824 -4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.685 -0.665 -5.962 1.00 0.00 H new ATOM 881 N LYS A 56 8.782 -3.114 -2.087 1.00 0.00 N ATOM 882 CA LYS A 56 7.630 -4.045 -2.212 1.00 0.00 C ATOM 883 C LYS A 56 6.411 -3.279 -2.727 1.00 0.00 C ATOM 884 O LYS A 56 6.394 -2.064 -2.746 1.00 0.00 O ATOM 885 CB LYS A 56 7.316 -4.639 -0.838 1.00 0.00 C ATOM 886 CG LYS A 56 7.115 -6.151 -0.965 1.00 0.00 C ATOM 887 CD LYS A 56 8.289 -6.880 -0.309 1.00 0.00 C ATOM 888 CE LYS A 56 8.288 -8.346 -0.744 1.00 0.00 C ATOM 889 NZ LYS A 56 9.437 -8.593 -1.659 1.00 0.00 N ATOM 0 H LYS A 56 8.776 -2.527 -1.253 1.00 0.00 H new ATOM 0 HA LYS A 56 7.876 -4.845 -2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.130 -4.427 -0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.419 -4.176 -0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.179 -6.445 -0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.041 -6.431 -2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.229 -6.406 -0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.212 -6.812 0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.358 -8.995 0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.351 -8.587 -1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.437 -9.590 -1.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.351 -7.983 -2.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.327 -8.379 -1.165 1.00 0.00 H new ATOM 903 N HIS A 57 5.393 -3.977 -3.148 1.00 0.00 N ATOM 904 CA HIS A 57 4.181 -3.283 -3.663 1.00 0.00 C ATOM 905 C HIS A 57 2.967 -4.200 -3.521 1.00 0.00 C ATOM 906 O HIS A 57 3.094 -5.378 -3.277 1.00 0.00 O ATOM 907 CB HIS A 57 4.387 -2.930 -5.136 1.00 0.00 C ATOM 908 CG HIS A 57 5.776 -2.387 -5.325 1.00 0.00 C ATOM 909 ND1 HIS A 57 6.855 -3.203 -5.625 1.00 0.00 N ATOM 910 CD2 HIS A 57 6.280 -1.112 -5.251 1.00 0.00 C ATOM 911 CE1 HIS A 57 7.944 -2.418 -5.718 1.00 0.00 C ATOM 912 NE2 HIS A 57 7.648 -1.134 -5.500 1.00 0.00 N ATOM 0 H HIS A 57 5.348 -4.996 -3.158 1.00 0.00 H new ATOM 0 HA HIS A 57 4.012 -2.371 -3.090 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.241 -3.813 -5.758 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.649 -2.193 -5.452 1.00 0.00 H new ATOM 0 HD1 HIS A 57 6.829 -4.215 -5.752 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.702 -0.226 -5.033 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.936 -2.782 -5.942 1.00 0.00 H new ATOM 920 N CYS A 58 1.790 -3.664 -3.670 1.00 0.00 N ATOM 921 CA CYS A 58 0.566 -4.504 -3.542 1.00 0.00 C ATOM 922 C CYS A 58 -0.454 -4.045 -4.586 1.00 0.00 C ATOM 923 O CYS A 58 -0.354 -2.960 -5.119 1.00 0.00 O ATOM 924 CB CYS A 58 -0.011 -4.339 -2.132 1.00 0.00 C ATOM 925 SG CYS A 58 -1.702 -4.984 -2.071 1.00 0.00 S ATOM 0 H CYS A 58 1.621 -2.679 -3.875 1.00 0.00 H new ATOM 0 HA CYS A 58 0.806 -5.555 -3.706 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.614 -4.866 -1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.005 -3.286 -1.849 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.482 -4.225 -2.783 1.00 0.00 H new ATOM 931 N ARG A 59 -1.427 -4.862 -4.891 1.00 0.00 N ATOM 932 CA ARG A 59 -2.437 -4.460 -5.911 1.00 0.00 C ATOM 933 C ARG A 59 -3.829 -4.930 -5.483 1.00 0.00 C ATOM 934 O ARG A 59 -4.112 -6.111 -5.443 1.00 0.00 O ATOM 935 CB ARG A 59 -2.078 -5.095 -7.256 1.00 0.00 C ATOM 936 CG ARG A 59 -2.844 -4.390 -8.377 1.00 0.00 C ATOM 937 CD ARG A 59 -1.853 -3.826 -9.398 1.00 0.00 C ATOM 938 NE ARG A 59 -1.894 -4.648 -10.643 1.00 0.00 N ATOM 939 CZ ARG A 59 -2.058 -5.941 -10.572 1.00 0.00 C ATOM 940 NH1 ARG A 59 -1.241 -6.664 -9.855 1.00 0.00 N ATOM 941 NH2 ARG A 59 -3.039 -6.512 -11.216 1.00 0.00 N ATOM 0 H ARG A 59 -1.565 -5.785 -4.480 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.440 -3.374 -6.004 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.005 -5.018 -7.431 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.324 -6.157 -7.246 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.524 -5.090 -8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.454 -3.586 -7.965 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.101 -2.789 -9.626 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.846 -3.828 -8.982 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.793 -4.198 -11.553 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.475 -6.218 -9.350 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.369 -7.674 -9.799 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.679 -5.948 -11.776 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.166 -7.522 -11.160 1.00 0.00 H new ATOM 955 N VAL A 60 -4.706 -4.012 -5.176 1.00 0.00 N ATOM 956 CA VAL A 60 -6.084 -4.403 -4.764 1.00 0.00 C ATOM 957 C VAL A 60 -6.971 -4.477 -6.008 1.00 0.00 C ATOM 958 O VAL A 60 -6.806 -3.713 -6.940 1.00 0.00 O ATOM 959 CB VAL A 60 -6.646 -3.355 -3.801 1.00 0.00 C ATOM 960 CG1 VAL A 60 -8.080 -3.729 -3.421 1.00 0.00 C ATOM 961 CG2 VAL A 60 -5.781 -3.309 -2.540 1.00 0.00 C ATOM 0 H VAL A 60 -4.527 -3.008 -5.193 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.060 -5.373 -4.267 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.641 -2.377 -4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.481 -2.983 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.697 -3.765 -4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.085 -4.706 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.180 -2.563 -1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.788 -4.287 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.759 -3.044 -2.810 1.00 0.00 H new ATOM 971 N GLN A 61 -7.905 -5.389 -6.042 1.00 0.00 N ATOM 972 CA GLN A 61 -8.782 -5.497 -7.242 1.00 0.00 C ATOM 973 C GLN A 61 -10.219 -5.135 -6.864 1.00 0.00 C ATOM 974 O GLN A 61 -10.600 -5.207 -5.715 1.00 0.00 O ATOM 975 CB GLN A 61 -8.733 -6.932 -7.774 1.00 0.00 C ATOM 976 CG GLN A 61 -9.497 -7.020 -9.096 1.00 0.00 C ATOM 977 CD GLN A 61 -8.678 -6.357 -10.204 1.00 0.00 C ATOM 978 OE1 GLN A 61 -7.746 -5.626 -9.932 1.00 0.00 O ATOM 979 NE2 GLN A 61 -8.985 -6.585 -11.452 1.00 0.00 N ATOM 0 H GLN A 61 -8.097 -6.059 -5.297 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.433 -4.810 -8.013 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.698 -7.240 -7.920 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.169 -7.615 -7.045 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.691 -8.063 -9.347 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.466 -6.529 -9.002 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.767 -7.198 -11.681 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.443 -6.150 -12.198 1.00 0.00 H new ATOM 988 N GLN A 62 -11.016 -4.745 -7.823 1.00 0.00 N ATOM 989 CA GLN A 62 -12.430 -4.378 -7.521 1.00 0.00 C ATOM 990 C GLN A 62 -13.359 -5.496 -8.006 1.00 0.00 C ATOM 991 O GLN A 62 -12.913 -6.534 -8.452 1.00 0.00 O ATOM 992 CB GLN A 62 -12.781 -3.074 -8.243 1.00 0.00 C ATOM 993 CG GLN A 62 -13.737 -2.249 -7.379 1.00 0.00 C ATOM 994 CD GLN A 62 -14.674 -1.442 -8.279 1.00 0.00 C ATOM 995 OE1 GLN A 62 -15.400 -2.001 -9.077 1.00 0.00 O ATOM 996 NE2 GLN A 62 -14.688 -0.141 -8.183 1.00 0.00 N ATOM 0 H GLN A 62 -10.748 -4.665 -8.804 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.552 -4.243 -6.446 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.875 -2.504 -8.446 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.242 -3.293 -9.206 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.316 -2.906 -6.730 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.172 -1.579 -6.731 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -14.078 0.328 -7.513 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -15.309 0.408 -8.778 1.00 0.00 H new ATOM 1005 N GLU A 63 -14.648 -5.295 -7.923 1.00 0.00 N ATOM 1006 CA GLU A 63 -15.597 -6.349 -8.380 1.00 0.00 C ATOM 1007 C GLU A 63 -16.838 -5.689 -8.983 1.00 0.00 C ATOM 1008 O GLU A 63 -16.807 -4.545 -9.394 1.00 0.00 O ATOM 1009 CB GLU A 63 -16.009 -7.215 -7.187 1.00 0.00 C ATOM 1010 CG GLU A 63 -15.785 -8.690 -7.527 1.00 0.00 C ATOM 1011 CD GLU A 63 -17.117 -9.441 -7.451 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -17.617 -9.611 -6.353 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -17.612 -9.835 -8.495 1.00 0.00 O ATOM 0 H GLU A 63 -15.083 -4.447 -7.559 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.114 -6.972 -9.133 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.427 -6.941 -6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -17.057 -7.042 -6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.360 -8.783 -8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.068 -9.129 -6.833 1.00 0.00 H new ATOM 1020 N GLY A 64 -17.931 -6.399 -9.040 1.00 0.00 N ATOM 1021 CA GLY A 64 -19.172 -5.810 -9.615 1.00 0.00 C ATOM 1022 C GLY A 64 -19.978 -5.132 -8.505 1.00 0.00 C ATOM 1023 O GLY A 64 -20.971 -4.478 -8.757 1.00 0.00 O ATOM 0 H GLY A 64 -18.018 -7.361 -8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -18.918 -5.086 -10.389 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -19.770 -6.588 -10.090 1.00 0.00 H new ATOM 1027 N GLN A 65 -19.560 -5.284 -7.276 1.00 0.00 N ATOM 1028 CA GLN A 65 -20.305 -4.648 -6.153 1.00 0.00 C ATOM 1029 C GLN A 65 -19.320 -4.174 -5.078 1.00 0.00 C ATOM 1030 O GLN A 65 -19.511 -3.145 -4.461 1.00 0.00 O ATOM 1031 CB GLN A 65 -21.274 -5.663 -5.542 1.00 0.00 C ATOM 1032 CG GLN A 65 -20.595 -7.031 -5.449 1.00 0.00 C ATOM 1033 CD GLN A 65 -21.479 -7.986 -4.644 1.00 0.00 C ATOM 1034 OE1 GLN A 65 -22.677 -8.033 -4.837 1.00 0.00 O ATOM 1035 NE2 GLN A 65 -20.934 -8.757 -3.742 1.00 0.00 N ATOM 0 H GLN A 65 -18.736 -5.820 -7.003 1.00 0.00 H new ATOM 0 HA GLN A 65 -20.863 -3.792 -6.533 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.585 -5.332 -4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -22.175 -5.734 -6.152 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -20.423 -7.432 -6.448 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -19.619 -6.933 -4.973 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -19.928 -8.719 -3.579 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -21.514 -9.398 -3.201 1.00 0.00 H new ATOM 1044 N THR A 66 -18.268 -4.914 -4.846 1.00 0.00 N ATOM 1045 CA THR A 66 -17.282 -4.498 -3.809 1.00 0.00 C ATOM 1046 C THR A 66 -15.865 -4.730 -4.332 1.00 0.00 C ATOM 1047 O THR A 66 -15.649 -4.878 -5.517 1.00 0.00 O ATOM 1048 CB THR A 66 -17.499 -5.327 -2.544 1.00 0.00 C ATOM 1049 OG1 THR A 66 -18.830 -5.827 -2.530 1.00 0.00 O ATOM 1050 CG2 THR A 66 -17.267 -4.453 -1.310 1.00 0.00 C ATOM 0 H THR A 66 -18.050 -5.786 -5.329 1.00 0.00 H new ATOM 0 HA THR A 66 -17.416 -3.441 -3.581 1.00 0.00 H new ATOM 0 HB THR A 66 -16.797 -6.160 -2.531 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.971 -6.360 -1.720 1.00 0.00 H new ATOM 0 HG21 THR A 66 -17.422 -5.047 -0.409 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.246 -4.071 -1.321 1.00 0.00 H new ATOM 0 HG23 THR A 66 -17.967 -3.617 -1.319 1.00 0.00 H new ATOM 1058 N VAL A 67 -14.895 -4.763 -3.460 1.00 0.00 N ATOM 1059 CA VAL A 67 -13.491 -4.984 -3.916 1.00 0.00 C ATOM 1060 C VAL A 67 -12.927 -6.242 -3.289 1.00 0.00 C ATOM 1061 O VAL A 67 -13.114 -6.499 -2.119 1.00 0.00 O ATOM 1062 CB VAL A 67 -12.573 -3.852 -3.448 1.00 0.00 C ATOM 1063 CG1 VAL A 67 -12.283 -2.880 -4.582 1.00 0.00 C ATOM 1064 CG2 VAL A 67 -13.210 -3.114 -2.274 1.00 0.00 C ATOM 0 H VAL A 67 -15.012 -4.647 -2.453 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.524 -5.044 -5.004 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.628 -4.290 -3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.629 -2.086 -4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.794 -3.410 -5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -13.218 -2.447 -4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.550 -2.310 -1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.167 -2.694 -2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.369 -3.810 -1.450 1.00 0.00 H new ATOM 1074 N MET A 68 -12.154 -6.969 -4.030 1.00 0.00 N ATOM 1075 CA MET A 68 -11.478 -8.145 -3.448 1.00 0.00 C ATOM 1076 C MET A 68 -10.124 -7.616 -2.993 1.00 0.00 C ATOM 1077 O MET A 68 -9.207 -7.466 -3.785 1.00 0.00 O ATOM 1078 CB MET A 68 -11.296 -9.250 -4.497 1.00 0.00 C ATOM 1079 CG MET A 68 -11.166 -8.631 -5.890 1.00 0.00 C ATOM 1080 SD MET A 68 -10.350 -9.807 -6.997 1.00 0.00 S ATOM 1081 CE MET A 68 -11.791 -10.190 -8.021 1.00 0.00 C ATOM 0 H MET A 68 -11.961 -6.798 -5.017 1.00 0.00 H new ATOM 0 HA MET A 68 -12.052 -8.588 -2.634 1.00 0.00 H new ATOM 0 HB2 MET A 68 -10.408 -9.839 -4.267 1.00 0.00 H new ATOM 0 HB3 MET A 68 -12.146 -9.932 -4.471 1.00 0.00 H new ATOM 0 HG2 MET A 68 -12.151 -8.373 -6.278 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.592 -7.706 -5.837 1.00 0.00 H new ATOM 0 HE1 MET A 68 -11.511 -10.913 -8.787 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.580 -10.610 -7.397 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.152 -9.278 -8.497 1.00 0.00 H new ATOM 1091 N LEU A 69 -9.999 -7.263 -1.741 1.00 0.00 N ATOM 1092 CA LEU A 69 -8.714 -6.681 -1.287 1.00 0.00 C ATOM 1093 C LEU A 69 -7.664 -7.793 -1.221 1.00 0.00 C ATOM 1094 O LEU A 69 -6.650 -7.744 -1.890 1.00 0.00 O ATOM 1095 CB LEU A 69 -8.888 -6.018 0.094 1.00 0.00 C ATOM 1096 CG LEU A 69 -7.536 -5.813 0.783 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -7.064 -7.122 1.420 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -6.508 -5.323 -0.239 1.00 0.00 C ATOM 0 H LEU A 69 -10.722 -7.352 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.387 -5.915 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.390 -5.057 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.528 -6.639 0.721 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.645 -5.065 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.102 -6.964 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.795 -7.451 2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.959 -7.885 0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.546 -5.178 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.402 -6.063 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.843 -4.378 -0.667 1.00 0.00 H new ATOM 1110 N GLY A 70 -7.906 -8.802 -0.432 1.00 0.00 N ATOM 1111 CA GLY A 70 -6.929 -9.924 -0.330 1.00 0.00 C ATOM 1112 C GLY A 70 -7.684 -11.232 -0.084 1.00 0.00 C ATOM 1113 O GLY A 70 -8.108 -11.898 -1.007 1.00 0.00 O ATOM 0 H GLY A 70 -8.739 -8.899 0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.343 -9.996 -1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.227 -9.737 0.483 1.00 0.00 H new ATOM 1117 N ASN A 71 -7.863 -11.599 1.154 1.00 0.00 N ATOM 1118 CA ASN A 71 -8.599 -12.857 1.456 1.00 0.00 C ATOM 1119 C ASN A 71 -10.091 -12.545 1.582 1.00 0.00 C ATOM 1120 O ASN A 71 -10.918 -13.430 1.660 1.00 0.00 O ATOM 1121 CB ASN A 71 -8.088 -13.447 2.774 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.502 -12.539 3.935 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -7.676 -11.863 4.515 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -9.753 -12.497 4.303 1.00 0.00 N ATOM 0 H ASN A 71 -7.532 -11.083 1.969 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.439 -13.577 0.654 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.495 -14.448 2.918 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.003 -13.545 2.744 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.037 -11.897 5.077 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.447 -13.064 3.816 1.00 0.00 H new ATOM 1131 N SER A 72 -10.439 -11.286 1.599 1.00 0.00 N ATOM 1132 CA SER A 72 -11.873 -10.907 1.715 1.00 0.00 C ATOM 1133 C SER A 72 -12.131 -9.665 0.860 1.00 0.00 C ATOM 1134 O SER A 72 -11.338 -9.309 0.010 1.00 0.00 O ATOM 1135 CB SER A 72 -12.203 -10.600 3.176 1.00 0.00 C ATOM 1136 OG SER A 72 -12.087 -9.200 3.399 1.00 0.00 O ATOM 0 H SER A 72 -9.788 -10.503 1.537 1.00 0.00 H new ATOM 0 HA SER A 72 -12.501 -11.728 1.370 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.213 -10.935 3.411 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.526 -11.142 3.836 1.00 0.00 H new ATOM 0 HG SER A 72 -12.980 -8.811 3.509 1.00 0.00 H new ATOM 1142 N GLU A 73 -13.229 -8.997 1.077 1.00 0.00 N ATOM 1143 CA GLU A 73 -13.518 -7.782 0.271 1.00 0.00 C ATOM 1144 C GLU A 73 -13.829 -6.610 1.203 1.00 0.00 C ATOM 1145 O GLU A 73 -14.286 -6.795 2.314 1.00 0.00 O ATOM 1146 CB GLU A 73 -14.716 -8.045 -0.645 1.00 0.00 C ATOM 1147 CG GLU A 73 -15.859 -8.651 0.172 1.00 0.00 C ATOM 1148 CD GLU A 73 -15.940 -10.153 -0.102 1.00 0.00 C ATOM 1149 OE1 GLU A 73 -16.355 -10.515 -1.190 1.00 0.00 O ATOM 1150 OE2 GLU A 73 -15.586 -10.916 0.781 1.00 0.00 O ATOM 0 H GLU A 73 -13.934 -9.239 1.773 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.648 -7.537 -0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.041 -7.115 -1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.430 -8.723 -1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.695 -8.473 1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.802 -8.171 -0.090 1.00 0.00 H new ATOM 1157 N PHE A 74 -13.579 -5.403 0.767 1.00 0.00 N ATOM 1158 CA PHE A 74 -13.858 -4.234 1.646 1.00 0.00 C ATOM 1159 C PHE A 74 -14.767 -3.231 0.938 1.00 0.00 C ATOM 1160 O PHE A 74 -14.957 -3.275 -0.261 1.00 0.00 O ATOM 1161 CB PHE A 74 -12.549 -3.551 2.017 1.00 0.00 C ATOM 1162 CG PHE A 74 -11.846 -3.073 0.768 1.00 0.00 C ATOM 1163 CD1 PHE A 74 -11.255 -3.991 -0.097 1.00 0.00 C ATOM 1164 CD2 PHE A 74 -11.767 -1.709 0.496 1.00 0.00 C ATOM 1165 CE1 PHE A 74 -10.583 -3.544 -1.242 1.00 0.00 C ATOM 1166 CE2 PHE A 74 -11.093 -1.257 -0.646 1.00 0.00 C ATOM 1167 CZ PHE A 74 -10.499 -2.177 -1.515 1.00 0.00 C ATOM 0 H PHE A 74 -13.197 -5.179 -0.152 1.00 0.00 H new ATOM 0 HA PHE A 74 -14.360 -4.590 2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -12.744 -2.708 2.680 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.909 -4.244 2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.315 -5.048 0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -12.226 -0.998 1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.129 -4.257 -1.914 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.032 -0.199 -0.855 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.977 -1.832 -2.395 1.00 0.00 H new ATOM 1177 N ASP A 75 -15.342 -2.332 1.690 1.00 0.00 N ATOM 1178 CA ASP A 75 -16.257 -1.319 1.092 1.00 0.00 C ATOM 1179 C ASP A 75 -15.480 -0.083 0.619 1.00 0.00 C ATOM 1180 O ASP A 75 -15.969 0.684 -0.187 1.00 0.00 O ATOM 1181 CB ASP A 75 -17.293 -0.898 2.136 1.00 0.00 C ATOM 1182 CG ASP A 75 -17.797 -2.134 2.881 1.00 0.00 C ATOM 1183 OD1 ASP A 75 -18.435 -2.961 2.251 1.00 0.00 O ATOM 1184 OD2 ASP A 75 -17.537 -2.233 4.069 1.00 0.00 O ATOM 0 H ASP A 75 -15.216 -2.256 2.699 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.750 -1.765 0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.851 -0.192 2.839 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -18.126 -0.387 1.652 1.00 0.00 H new ATOM 1189 N SER A 76 -14.288 0.138 1.114 1.00 0.00 N ATOM 1190 CA SER A 76 -13.532 1.351 0.673 1.00 0.00 C ATOM 1191 C SER A 76 -12.078 1.259 1.132 1.00 0.00 C ATOM 1192 O SER A 76 -11.791 0.839 2.234 1.00 0.00 O ATOM 1193 CB SER A 76 -14.177 2.598 1.280 1.00 0.00 C ATOM 1194 OG SER A 76 -14.422 2.372 2.663 1.00 0.00 O ATOM 0 H SER A 76 -13.812 -0.457 1.792 1.00 0.00 H new ATOM 0 HA SER A 76 -13.559 1.412 -0.415 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.523 3.460 1.151 1.00 0.00 H new ATOM 0 HB3 SER A 76 -15.110 2.826 0.766 1.00 0.00 H new ATOM 0 HG SER A 76 -14.834 3.169 3.057 1.00 0.00 H new ATOM 1200 N LEU A 77 -11.157 1.636 0.290 1.00 0.00 N ATOM 1201 CA LEU A 77 -9.720 1.555 0.671 1.00 0.00 C ATOM 1202 C LEU A 77 -9.459 2.388 1.930 1.00 0.00 C ATOM 1203 O LEU A 77 -8.423 2.270 2.555 1.00 0.00 O ATOM 1204 CB LEU A 77 -8.857 2.082 -0.477 1.00 0.00 C ATOM 1205 CG LEU A 77 -7.538 1.307 -0.520 1.00 0.00 C ATOM 1206 CD1 LEU A 77 -7.502 0.427 -1.771 1.00 0.00 C ATOM 1207 CD2 LEU A 77 -6.369 2.293 -0.557 1.00 0.00 C ATOM 0 H LEU A 77 -11.338 1.997 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.465 0.515 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.386 1.973 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.662 3.146 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.457 0.679 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.562 -0.125 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.335 -0.276 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.583 1.054 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.429 1.742 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.451 2.921 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.393 2.920 0.334 1.00 0.00 H new ATOM 1219 N VAL A 78 -10.383 3.228 2.310 1.00 0.00 N ATOM 1220 CA VAL A 78 -10.171 4.060 3.527 1.00 0.00 C ATOM 1221 C VAL A 78 -10.283 3.179 4.770 1.00 0.00 C ATOM 1222 O VAL A 78 -9.307 2.922 5.446 1.00 0.00 O ATOM 1223 CB VAL A 78 -11.229 5.163 3.583 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -11.000 6.027 4.824 1.00 0.00 C ATOM 1225 CG2 VAL A 78 -11.122 6.035 2.330 1.00 0.00 C ATOM 0 H VAL A 78 -11.272 3.373 1.832 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.180 4.512 3.491 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.221 4.713 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.754 6.813 4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.074 5.407 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.008 6.477 4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.876 6.822 2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.130 6.485 2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.284 5.421 1.444 1.00 0.00 H new ATOM 1235 N ASP A 79 -11.460 2.707 5.076 1.00 0.00 N ATOM 1236 CA ASP A 79 -11.617 1.836 6.273 1.00 0.00 C ATOM 1237 C ASP A 79 -10.724 0.608 6.102 1.00 0.00 C ATOM 1238 O ASP A 79 -10.317 -0.027 7.061 1.00 0.00 O ATOM 1239 CB ASP A 79 -13.077 1.397 6.402 1.00 0.00 C ATOM 1240 CG ASP A 79 -13.908 2.554 6.961 1.00 0.00 C ATOM 1241 OD1 ASP A 79 -13.851 2.774 8.159 1.00 0.00 O ATOM 1242 OD2 ASP A 79 -14.586 3.200 6.180 1.00 0.00 O ATOM 0 H ASP A 79 -12.316 2.886 4.551 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.331 2.382 7.172 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.464 1.093 5.429 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.151 0.531 7.059 1.00 0.00 H new ATOM 1247 N LEU A 80 -10.397 0.285 4.880 1.00 0.00 N ATOM 1248 CA LEU A 80 -9.515 -0.883 4.626 1.00 0.00 C ATOM 1249 C LEU A 80 -8.176 -0.612 5.298 1.00 0.00 C ATOM 1250 O LEU A 80 -7.660 -1.423 6.041 1.00 0.00 O ATOM 1251 CB LEU A 80 -9.312 -1.053 3.114 1.00 0.00 C ATOM 1252 CG LEU A 80 -9.388 -2.537 2.712 1.00 0.00 C ATOM 1253 CD1 LEU A 80 -8.562 -2.746 1.443 1.00 0.00 C ATOM 1254 CD2 LEU A 80 -8.820 -3.424 3.827 1.00 0.00 C ATOM 0 H LEU A 80 -10.706 0.784 4.045 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.961 -1.794 5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.072 -0.487 2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.344 -0.643 2.825 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.430 -2.807 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.608 -3.794 1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.963 -2.125 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.526 -2.468 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.881 -4.470 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.778 -3.159 4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.396 -3.274 4.740 1.00 0.00 H new ATOM 1266 N ILE A 81 -7.622 0.543 5.057 1.00 0.00 N ATOM 1267 CA ILE A 81 -6.327 0.898 5.690 1.00 0.00 C ATOM 1268 C ILE A 81 -6.604 1.391 7.118 1.00 0.00 C ATOM 1269 O ILE A 81 -5.696 1.599 7.900 1.00 0.00 O ATOM 1270 CB ILE A 81 -5.641 1.987 4.837 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -4.418 1.384 4.144 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -5.196 3.176 5.698 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -4.875 0.379 3.085 1.00 0.00 C ATOM 0 H ILE A 81 -8.015 1.258 4.445 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.661 0.037 5.744 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.360 2.348 4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.824 2.172 3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.778 0.891 4.876 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -4.717 3.924 5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.065 3.617 6.187 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.489 2.834 6.454 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.003 -0.051 2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.450 -0.415 3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.497 0.886 2.347 1.00 0.00 H new ATOM 1285 N SER A 82 -7.853 1.576 7.462 1.00 0.00 N ATOM 1286 CA SER A 82 -8.184 2.051 8.833 1.00 0.00 C ATOM 1287 C SER A 82 -7.784 0.978 9.842 1.00 0.00 C ATOM 1288 O SER A 82 -7.038 1.232 10.766 1.00 0.00 O ATOM 1289 CB SER A 82 -9.685 2.320 8.938 1.00 0.00 C ATOM 1290 OG SER A 82 -9.992 2.759 10.255 1.00 0.00 O ATOM 0 H SER A 82 -8.655 1.418 6.852 1.00 0.00 H new ATOM 0 HA SER A 82 -7.642 2.973 9.042 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.982 3.076 8.212 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.246 1.415 8.704 1.00 0.00 H new ATOM 0 HG SER A 82 -10.954 2.934 10.326 1.00 0.00 H new ATOM 1296 N TYR A 83 -8.263 -0.226 9.672 1.00 0.00 N ATOM 1297 CA TYR A 83 -7.882 -1.299 10.635 1.00 0.00 C ATOM 1298 C TYR A 83 -6.550 -1.917 10.203 1.00 0.00 C ATOM 1299 O TYR A 83 -5.911 -2.630 10.953 1.00 0.00 O ATOM 1300 CB TYR A 83 -8.962 -2.386 10.698 1.00 0.00 C ATOM 1301 CG TYR A 83 -9.613 -2.571 9.347 1.00 0.00 C ATOM 1302 CD1 TYR A 83 -8.914 -3.200 8.310 1.00 0.00 C ATOM 1303 CD2 TYR A 83 -10.924 -2.127 9.139 1.00 0.00 C ATOM 1304 CE1 TYR A 83 -9.527 -3.385 7.065 1.00 0.00 C ATOM 1305 CE2 TYR A 83 -11.536 -2.309 7.892 1.00 0.00 C ATOM 1306 CZ TYR A 83 -10.838 -2.939 6.856 1.00 0.00 C ATOM 1307 OH TYR A 83 -11.444 -3.123 5.630 1.00 0.00 O ATOM 0 H TYR A 83 -8.892 -0.510 8.920 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.782 -0.859 11.627 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -8.520 -3.327 11.026 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -9.716 -2.114 11.436 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.902 -3.542 8.470 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -11.464 -1.644 9.940 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.989 -3.872 6.265 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -12.546 -1.963 7.730 1.00 0.00 H new ATOM 0 HH TYR A 83 -12.352 -2.756 5.656 1.00 0.00 H new ATOM 1317 N TYR A 84 -6.114 -1.640 9.003 1.00 0.00 N ATOM 1318 CA TYR A 84 -4.817 -2.205 8.539 1.00 0.00 C ATOM 1319 C TYR A 84 -3.678 -1.304 9.016 1.00 0.00 C ATOM 1320 O TYR A 84 -2.521 -1.672 8.970 1.00 0.00 O ATOM 1321 CB TYR A 84 -4.798 -2.288 7.011 1.00 0.00 C ATOM 1322 CG TYR A 84 -5.062 -3.712 6.585 1.00 0.00 C ATOM 1323 CD1 TYR A 84 -4.425 -4.769 7.245 1.00 0.00 C ATOM 1324 CD2 TYR A 84 -5.943 -3.975 5.531 1.00 0.00 C ATOM 1325 CE1 TYR A 84 -4.669 -6.090 6.852 1.00 0.00 C ATOM 1326 CE2 TYR A 84 -6.188 -5.296 5.135 1.00 0.00 C ATOM 1327 CZ TYR A 84 -5.552 -6.353 5.797 1.00 0.00 C ATOM 1328 OH TYR A 84 -5.795 -7.655 5.409 1.00 0.00 O ATOM 0 H TYR A 84 -6.599 -1.049 8.328 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.693 -3.207 8.950 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.553 -1.624 6.590 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.833 -1.955 6.629 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.744 -4.565 8.058 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.435 -3.159 5.022 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -4.177 -6.905 7.362 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.867 -5.499 4.320 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.432 -7.661 4.664 1.00 0.00 H new ATOM 1338 N GLU A 85 -3.997 -0.128 9.487 1.00 0.00 N ATOM 1339 CA GLU A 85 -2.929 0.785 9.978 1.00 0.00 C ATOM 1340 C GLU A 85 -2.264 0.138 11.190 1.00 0.00 C ATOM 1341 O GLU A 85 -1.091 0.322 11.444 1.00 0.00 O ATOM 1342 CB GLU A 85 -3.544 2.127 10.382 1.00 0.00 C ATOM 1343 CG GLU A 85 -4.422 1.936 11.621 1.00 0.00 C ATOM 1344 CD GLU A 85 -5.399 3.107 11.739 1.00 0.00 C ATOM 1345 OE1 GLU A 85 -5.477 3.885 10.803 1.00 0.00 O ATOM 1346 OE2 GLU A 85 -6.052 3.205 12.765 1.00 0.00 O ATOM 0 H GLU A 85 -4.947 0.237 9.552 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.192 0.958 9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.757 2.852 10.590 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.138 2.528 9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.970 0.997 11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.801 1.875 12.514 1.00 0.00 H new ATOM 1353 N LYS A 86 -3.010 -0.638 11.928 1.00 0.00 N ATOM 1354 CA LYS A 86 -2.432 -1.323 13.114 1.00 0.00 C ATOM 1355 C LYS A 86 -2.126 -2.771 12.733 1.00 0.00 C ATOM 1356 O LYS A 86 -1.197 -3.375 13.234 1.00 0.00 O ATOM 1357 CB LYS A 86 -3.441 -1.295 14.266 1.00 0.00 C ATOM 1358 CG LYS A 86 -2.788 -0.666 15.496 1.00 0.00 C ATOM 1359 CD LYS A 86 -2.369 0.770 15.173 1.00 0.00 C ATOM 1360 CE LYS A 86 -3.044 1.731 16.152 1.00 0.00 C ATOM 1361 NZ LYS A 86 -4.013 2.592 15.415 1.00 0.00 N ATOM 0 H LYS A 86 -3.998 -0.826 11.758 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.519 -0.819 13.432 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.324 -0.725 13.977 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.776 -2.307 14.495 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.485 -0.673 16.334 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.919 -1.250 15.799 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.285 0.868 15.240 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.649 1.020 14.150 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.559 1.170 16.932 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.295 2.349 16.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.472 3.246 16.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.509 3.137 14.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.734 1.995 14.963 1.00 0.00 H new ATOM 1375 N HIS A 87 -2.898 -3.329 11.839 1.00 0.00 N ATOM 1376 CA HIS A 87 -2.654 -4.734 11.409 1.00 0.00 C ATOM 1377 C HIS A 87 -1.601 -4.743 10.298 1.00 0.00 C ATOM 1378 O HIS A 87 -1.247 -3.707 9.772 1.00 0.00 O ATOM 1379 CB HIS A 87 -3.959 -5.337 10.884 1.00 0.00 C ATOM 1380 CG HIS A 87 -4.628 -6.117 11.983 1.00 0.00 C ATOM 1381 ND1 HIS A 87 -3.977 -7.126 12.674 1.00 0.00 N ATOM 1382 CD2 HIS A 87 -5.888 -6.044 12.523 1.00 0.00 C ATOM 1383 CE1 HIS A 87 -4.840 -7.617 13.583 1.00 0.00 C ATOM 1384 NE2 HIS A 87 -6.019 -6.993 13.533 1.00 0.00 N ATOM 0 H HIS A 87 -3.689 -2.870 11.388 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.298 -5.323 12.254 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.621 -4.547 10.530 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.755 -5.988 10.034 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.660 -5.356 12.212 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.607 -8.418 14.269 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.840 -7.173 14.111 1.00 0.00 H new ATOM 1392 N PRO A 88 -1.131 -5.918 9.981 1.00 0.00 N ATOM 1393 CA PRO A 88 -0.101 -6.164 8.937 1.00 0.00 C ATOM 1394 C PRO A 88 -0.725 -6.101 7.538 1.00 0.00 C ATOM 1395 O PRO A 88 -1.910 -6.307 7.366 1.00 0.00 O ATOM 1396 CB PRO A 88 0.443 -7.562 9.221 1.00 0.00 C ATOM 1397 CG PRO A 88 -0.643 -8.289 10.019 1.00 0.00 C ATOM 1398 CD PRO A 88 -1.549 -7.201 10.613 1.00 0.00 C ATOM 0 HA PRO A 88 0.687 -5.412 8.963 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.663 -8.090 8.293 1.00 0.00 H new ATOM 0 HB3 PRO A 88 1.373 -7.510 9.787 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.213 -8.960 9.376 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.202 -8.900 10.807 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.598 -7.413 10.406 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.441 -7.154 11.697 1.00 0.00 H new ATOM 1406 N LEU A 89 0.068 -5.821 6.534 1.00 0.00 N ATOM 1407 CA LEU A 89 -0.479 -5.748 5.147 1.00 0.00 C ATOM 1408 C LEU A 89 -0.516 -7.155 4.552 1.00 0.00 C ATOM 1409 O LEU A 89 -1.569 -7.673 4.235 1.00 0.00 O ATOM 1410 CB LEU A 89 0.414 -4.842 4.289 1.00 0.00 C ATOM 1411 CG LEU A 89 -0.237 -4.588 2.923 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -0.013 -5.797 2.014 1.00 0.00 C ATOM 1413 CD2 LEU A 89 -1.740 -4.349 3.094 1.00 0.00 C ATOM 0 H LEU A 89 1.069 -5.640 6.616 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.487 -5.334 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.581 -3.894 4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.390 -5.307 4.153 1.00 0.00 H new ATOM 0 HG LEU A 89 0.216 -3.705 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.476 -5.614 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.057 -5.958 1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.459 -6.682 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.193 -4.170 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.198 -5.226 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.900 -3.481 3.734 1.00 0.00 H new ATOM 1425 N TYR A 90 0.617 -7.795 4.416 1.00 0.00 N ATOM 1426 CA TYR A 90 0.611 -9.177 3.864 1.00 0.00 C ATOM 1427 C TYR A 90 1.327 -10.122 4.836 1.00 0.00 C ATOM 1428 O TYR A 90 1.215 -9.984 6.038 1.00 0.00 O ATOM 1429 CB TYR A 90 1.240 -9.221 2.458 1.00 0.00 C ATOM 1430 CG TYR A 90 2.687 -8.794 2.471 1.00 0.00 C ATOM 1431 CD1 TYR A 90 3.037 -7.499 2.866 1.00 0.00 C ATOM 1432 CD2 TYR A 90 3.681 -9.690 2.052 1.00 0.00 C ATOM 1433 CE1 TYR A 90 4.378 -7.100 2.852 1.00 0.00 C ATOM 1434 CE2 TYR A 90 5.022 -9.288 2.036 1.00 0.00 C ATOM 1435 CZ TYR A 90 5.371 -7.995 2.438 1.00 0.00 C ATOM 1436 OH TYR A 90 6.693 -7.601 2.421 1.00 0.00 O ATOM 0 H TYR A 90 1.535 -7.423 4.661 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.421 -9.510 3.755 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.164 -10.232 2.059 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.676 -8.571 1.789 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.271 -6.806 3.182 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.412 -10.689 1.742 1.00 0.00 H new ATOM 0 HE1 TYR A 90 4.647 -6.101 3.161 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.788 -9.977 1.713 1.00 0.00 H new ATOM 0 HH TYR A 90 7.253 -8.348 2.124 1.00 0.00 H new ATOM 1446 N ARG A 91 2.013 -11.105 4.337 1.00 0.00 N ATOM 1447 CA ARG A 91 2.682 -12.091 5.250 1.00 0.00 C ATOM 1448 C ARG A 91 4.007 -11.565 5.834 1.00 0.00 C ATOM 1449 O ARG A 91 4.927 -12.332 6.042 1.00 0.00 O ATOM 1450 CB ARG A 91 2.959 -13.394 4.492 1.00 0.00 C ATOM 1451 CG ARG A 91 3.335 -13.088 3.042 1.00 0.00 C ATOM 1452 CD ARG A 91 2.096 -13.239 2.157 1.00 0.00 C ATOM 1453 NE ARG A 91 2.428 -14.084 0.976 1.00 0.00 N ATOM 1454 CZ ARG A 91 1.473 -14.602 0.253 1.00 0.00 C ATOM 1455 NH1 ARG A 91 0.915 -15.726 0.617 1.00 0.00 N ATOM 1456 NH2 ARG A 91 1.076 -13.999 -0.833 1.00 0.00 N ATOM 0 H ARG A 91 2.145 -11.277 3.340 1.00 0.00 H new ATOM 0 HA ARG A 91 1.998 -12.261 6.082 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.767 -13.942 4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.078 -14.035 4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.732 -12.076 2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.120 -13.765 2.707 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.284 -13.692 2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.748 -12.259 1.830 1.00 0.00 H new ATOM 0 HE ARG A 91 3.403 -14.258 0.732 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.226 -16.198 1.466 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.169 -16.131 0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.512 -13.122 -1.118 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.330 -14.404 -1.398 1.00 0.00 H new ATOM 1470 N LYS A 92 4.127 -10.294 6.138 1.00 0.00 N ATOM 1471 CA LYS A 92 5.408 -9.812 6.738 1.00 0.00 C ATOM 1472 C LYS A 92 5.384 -8.292 6.912 1.00 0.00 C ATOM 1473 O LYS A 92 5.115 -7.793 7.986 1.00 0.00 O ATOM 1474 CB LYS A 92 6.601 -10.220 5.862 1.00 0.00 C ATOM 1475 CG LYS A 92 6.225 -10.177 4.380 1.00 0.00 C ATOM 1476 CD LYS A 92 6.623 -11.496 3.715 1.00 0.00 C ATOM 1477 CE LYS A 92 8.126 -11.720 3.887 1.00 0.00 C ATOM 1478 NZ LYS A 92 8.403 -13.181 3.973 1.00 0.00 N ATOM 0 H LYS A 92 3.408 -9.584 6.000 1.00 0.00 H new ATOM 0 HA LYS A 92 5.517 -10.275 7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.441 -9.551 6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.928 -11.225 6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.153 -10.011 4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.729 -9.344 3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.068 -12.322 4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.367 -11.474 2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.668 -11.285 3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.479 -11.218 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.425 -13.334 4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.897 -13.583 4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.081 -13.647 3.101 1.00 0.00 H new ATOM 1492 N MET A 93 5.677 -7.547 5.882 1.00 0.00 N ATOM 1493 CA MET A 93 5.680 -6.066 6.032 1.00 0.00 C ATOM 1494 C MET A 93 4.245 -5.545 6.108 1.00 0.00 C ATOM 1495 O MET A 93 3.299 -6.275 5.888 1.00 0.00 O ATOM 1496 CB MET A 93 6.402 -5.421 4.846 1.00 0.00 C ATOM 1497 CG MET A 93 7.373 -4.354 5.357 1.00 0.00 C ATOM 1498 SD MET A 93 8.571 -5.112 6.481 1.00 0.00 S ATOM 1499 CE MET A 93 8.244 -4.052 7.910 1.00 0.00 C ATOM 0 H MET A 93 5.912 -7.895 4.953 1.00 0.00 H new ATOM 0 HA MET A 93 6.203 -5.807 6.952 1.00 0.00 H new ATOM 0 HB2 MET A 93 6.943 -6.179 4.280 1.00 0.00 H new ATOM 0 HB3 MET A 93 5.678 -4.973 4.166 1.00 0.00 H new ATOM 0 HG2 MET A 93 7.890 -3.887 4.519 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.824 -3.565 5.872 1.00 0.00 H new ATOM 0 HE1 MET A 93 8.780 -4.436 8.778 1.00 0.00 H new ATOM 0 HE2 MET A 93 8.580 -3.038 7.695 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.174 -4.043 8.119 1.00 0.00 H new ATOM 1509 N LYS A 94 4.071 -4.288 6.428 1.00 0.00 N ATOM 1510 CA LYS A 94 2.693 -3.741 6.523 1.00 0.00 C ATOM 1511 C LYS A 94 2.703 -2.241 6.232 1.00 0.00 C ATOM 1512 O LYS A 94 3.640 -1.711 5.667 1.00 0.00 O ATOM 1513 CB LYS A 94 2.156 -3.975 7.932 1.00 0.00 C ATOM 1514 CG LYS A 94 2.902 -3.075 8.918 1.00 0.00 C ATOM 1515 CD LYS A 94 3.607 -3.939 9.965 1.00 0.00 C ATOM 1516 CE LYS A 94 2.740 -4.027 11.221 1.00 0.00 C ATOM 1517 NZ LYS A 94 3.598 -4.363 12.392 1.00 0.00 N ATOM 0 H LYS A 94 4.820 -3.625 6.625 1.00 0.00 H new ATOM 0 HA LYS A 94 2.058 -4.243 5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.088 -3.762 7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.281 -5.021 8.211 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.630 -2.461 8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.204 -2.393 9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.790 -4.937 9.566 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.579 -3.511 10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.229 -3.079 11.391 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.969 -4.786 11.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.058 -4.946 13.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.434 -4.891 12.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.902 -3.487 12.863 1.00 0.00 H new ATOM 1531 N LEU A 95 1.665 -1.554 6.620 1.00 0.00 N ATOM 1532 CA LEU A 95 1.604 -0.088 6.374 1.00 0.00 C ATOM 1533 C LEU A 95 1.750 0.651 7.702 1.00 0.00 C ATOM 1534 O LEU A 95 0.971 1.524 8.029 1.00 0.00 O ATOM 1535 CB LEU A 95 0.263 0.269 5.732 1.00 0.00 C ATOM 1536 CG LEU A 95 0.215 -0.290 4.309 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -0.625 -1.568 4.290 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -0.414 0.749 3.377 1.00 0.00 C ATOM 0 H LEU A 95 0.854 -1.947 7.098 1.00 0.00 H new ATOM 0 HA LEU A 95 2.412 0.204 5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.556 -0.141 6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.133 1.351 5.714 1.00 0.00 H new ATOM 0 HG LEU A 95 1.227 -0.517 3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.659 -1.966 3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.178 -2.307 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.637 -1.343 4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.449 0.353 2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.426 0.975 3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.185 1.660 3.391 1.00 0.00 H new ATOM 1550 N ARG A 96 2.742 0.305 8.474 1.00 0.00 N ATOM 1551 CA ARG A 96 2.938 0.983 9.783 1.00 0.00 C ATOM 1552 C ARG A 96 4.269 1.736 9.786 1.00 0.00 C ATOM 1553 O ARG A 96 4.571 2.465 10.710 1.00 0.00 O ATOM 1554 CB ARG A 96 2.942 -0.061 10.901 1.00 0.00 C ATOM 1555 CG ARG A 96 2.571 0.610 12.225 1.00 0.00 C ATOM 1556 CD ARG A 96 2.429 -0.454 13.314 1.00 0.00 C ATOM 1557 NE ARG A 96 3.604 -0.393 14.231 1.00 0.00 N ATOM 1558 CZ ARG A 96 4.790 -0.117 13.761 1.00 0.00 C ATOM 1559 NH1 ARG A 96 5.352 -0.920 12.899 1.00 0.00 N ATOM 1560 NH2 ARG A 96 5.413 0.961 14.151 1.00 0.00 N ATOM 0 H ARG A 96 3.426 -0.419 8.254 1.00 0.00 H new ATOM 0 HA ARG A 96 2.125 1.691 9.945 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.233 -0.857 10.673 1.00 0.00 H new ATOM 0 HB3 ARG A 96 3.926 -0.523 10.978 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.337 1.333 12.506 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.637 1.161 12.116 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.508 -0.293 13.875 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.359 -1.444 12.862 1.00 0.00 H new ATOM 0 HE ARG A 96 3.480 -0.567 15.228 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.864 -1.762 12.593 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.279 -0.705 12.531 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.973 1.589 14.824 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.340 1.176 13.783 1.00 0.00 H new ATOM 1574 N TYR A 97 5.077 1.568 8.772 1.00 0.00 N ATOM 1575 CA TYR A 97 6.383 2.283 8.756 1.00 0.00 C ATOM 1576 C TYR A 97 6.260 3.585 7.955 1.00 0.00 C ATOM 1577 O TYR A 97 5.919 3.565 6.789 1.00 0.00 O ATOM 1578 CB TYR A 97 7.448 1.387 8.125 1.00 0.00 C ATOM 1579 CG TYR A 97 8.533 1.105 9.136 1.00 0.00 C ATOM 1580 CD1 TYR A 97 9.327 2.151 9.620 1.00 0.00 C ATOM 1581 CD2 TYR A 97 8.745 -0.202 9.588 1.00 0.00 C ATOM 1582 CE1 TYR A 97 10.335 1.889 10.557 1.00 0.00 C ATOM 1583 CE2 TYR A 97 9.751 -0.464 10.525 1.00 0.00 C ATOM 1584 CZ TYR A 97 10.547 0.582 11.009 1.00 0.00 C ATOM 1585 OH TYR A 97 11.539 0.324 11.933 1.00 0.00 O ATOM 0 H TYR A 97 4.891 0.974 7.964 1.00 0.00 H new ATOM 0 HA TYR A 97 6.671 2.524 9.779 1.00 0.00 H new ATOM 0 HB2 TYR A 97 6.999 0.453 7.788 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.872 1.872 7.246 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.163 3.160 9.271 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.132 -1.009 9.214 1.00 0.00 H new ATOM 0 HE1 TYR A 97 10.948 2.696 10.930 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.914 -1.473 10.875 1.00 0.00 H new ATOM 0 HH TYR A 97 11.552 -0.634 12.141 1.00 0.00 H new ATOM 1595 N PRO A 98 6.549 4.681 8.613 1.00 0.00 N ATOM 1596 CA PRO A 98 6.508 6.053 8.041 1.00 0.00 C ATOM 1597 C PRO A 98 7.800 6.324 7.258 1.00 0.00 C ATOM 1598 O PRO A 98 8.440 5.412 6.773 1.00 0.00 O ATOM 1599 CB PRO A 98 6.394 6.988 9.249 1.00 0.00 C ATOM 1600 CG PRO A 98 6.955 6.214 10.445 1.00 0.00 C ATOM 1601 CD PRO A 98 6.960 4.734 10.046 1.00 0.00 C ATOM 0 HA PRO A 98 5.678 6.195 7.349 1.00 0.00 H new ATOM 0 HB2 PRO A 98 6.955 7.908 9.083 1.00 0.00 H new ATOM 0 HB3 PRO A 98 5.357 7.274 9.423 1.00 0.00 H new ATOM 0 HG2 PRO A 98 7.962 6.553 10.688 1.00 0.00 H new ATOM 0 HG3 PRO A 98 6.342 6.374 11.332 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.950 4.299 10.182 1.00 0.00 H new ATOM 0 HD3 PRO A 98 6.272 4.162 10.668 1.00 0.00 H new ATOM 1774 N ILE B 5 3.288 -7.813 -3.882 1.00 0.00 N ATOM 1775 CA ILE B 5 2.827 -8.871 -2.924 1.00 0.00 C ATOM 1776 C ILE B 5 1.313 -8.740 -2.709 1.00 0.00 C ATOM 1777 O ILE B 5 0.725 -7.707 -2.957 1.00 0.00 O ATOM 1778 CB ILE B 5 3.585 -8.757 -1.576 1.00 0.00 C ATOM 1779 CG1 ILE B 5 2.763 -7.995 -0.529 1.00 0.00 C ATOM 1780 CG2 ILE B 5 4.922 -8.037 -1.774 1.00 0.00 C ATOM 1781 CD1 ILE B 5 2.638 -6.527 -0.922 1.00 0.00 C ATOM 0 HA ILE B 5 3.043 -9.853 -3.345 1.00 0.00 H new ATOM 0 HB ILE B 5 3.757 -9.772 -1.217 1.00 0.00 H new ATOM 0 HG12 ILE B 5 1.772 -8.440 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE B 5 3.239 -8.078 0.448 1.00 0.00 H new ATOM 0 HG21 ILE B 5 5.442 -7.965 -0.818 1.00 0.00 H new ATOM 0 HG22 ILE B 5 5.536 -8.597 -2.480 1.00 0.00 H new ATOM 0 HG23 ILE B 5 4.742 -7.036 -2.165 1.00 0.00 H new ATOM 0 HD11 ILE B 5 2.052 -5.998 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE B 5 3.631 -6.082 -0.988 1.00 0.00 H new ATOM 0 HD13 ILE B 5 2.141 -6.450 -1.889 1.00 0.00 H new ATOM 1793 N ILE B 6 0.680 -9.779 -2.242 1.00 0.00 N ATOM 1794 CA ILE B 6 -0.787 -9.708 -1.997 1.00 0.00 C ATOM 1795 C ILE B 6 -1.002 -9.456 -0.506 1.00 0.00 C ATOM 1796 O ILE B 6 -0.268 -9.971 0.313 1.00 0.00 O ATOM 1797 CB ILE B 6 -1.444 -11.030 -2.408 1.00 0.00 C ATOM 1798 CG1 ILE B 6 -1.168 -11.295 -3.890 1.00 0.00 C ATOM 1799 CG2 ILE B 6 -2.958 -10.949 -2.182 1.00 0.00 C ATOM 1800 CD1 ILE B 6 -1.696 -10.126 -4.724 1.00 0.00 C ATOM 0 H ILE B 6 1.115 -10.674 -2.019 1.00 0.00 H new ATOM 0 HA ILE B 6 -1.235 -8.905 -2.582 1.00 0.00 H new ATOM 0 HB ILE B 6 -1.031 -11.839 -1.806 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.098 -11.419 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -1.648 -12.223 -4.200 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -3.421 -11.891 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -3.159 -10.759 -1.128 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.373 -10.139 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.500 -10.314 -5.780 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -2.770 -10.023 -4.567 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.195 -9.207 -4.420 1.00 0.00 H new ATOM 1812 N PRO B 7 -1.988 -8.662 -0.196 1.00 0.00 N ATOM 1813 CA PRO B 7 -2.348 -8.280 1.193 1.00 0.00 C ATOM 1814 C PRO B 7 -3.016 -9.449 1.916 1.00 0.00 C ATOM 1815 O PRO B 7 -4.219 -9.497 2.081 1.00 0.00 O ATOM 1816 CB PRO B 7 -3.297 -7.093 1.067 1.00 0.00 C ATOM 1817 CG PRO B 7 -3.888 -7.175 -0.341 1.00 0.00 C ATOM 1818 CD PRO B 7 -2.914 -8.016 -1.171 1.00 0.00 C ATOM 0 HA PRO B 7 -1.468 -8.017 1.780 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -4.081 -7.138 1.823 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -2.767 -6.152 1.214 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -4.877 -7.633 -0.321 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -4.006 -6.180 -0.771 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -3.447 -8.765 -1.756 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -2.364 -7.393 -1.876 1.00 0.00 H new ATOM 1826 N LEU B 8 -2.226 -10.384 2.363 1.00 0.00 N ATOM 1827 CA LEU B 8 -2.773 -11.558 3.098 1.00 0.00 C ATOM 1828 C LEU B 8 -1.835 -11.845 4.271 1.00 0.00 C ATOM 1829 O LEU B 8 -0.756 -12.371 4.085 1.00 0.00 O ATOM 1830 CB LEU B 8 -2.843 -12.792 2.181 1.00 0.00 C ATOM 1831 CG LEU B 8 -2.284 -12.466 0.792 1.00 0.00 C ATOM 1832 CD1 LEU B 8 -0.757 -12.551 0.826 1.00 0.00 C ATOM 1833 CD2 LEU B 8 -2.829 -13.473 -0.223 1.00 0.00 C ATOM 0 H LEU B 8 -1.212 -10.385 2.249 1.00 0.00 H new ATOM 0 HA LEU B 8 -3.783 -11.341 3.446 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -2.277 -13.612 2.623 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -3.876 -13.128 2.093 1.00 0.00 H new ATOM 0 HG LEU B 8 -2.585 -11.459 0.504 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -0.358 -12.319 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -0.369 -11.836 1.551 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.455 -13.558 1.112 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -2.433 -13.243 -1.212 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.526 -14.480 0.065 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.917 -13.414 -0.245 1.00 0.00 H new ATOM 1845 N PRO B 9 -2.266 -11.466 5.443 1.00 0.00 N ATOM 1846 CA PRO B 9 -1.502 -11.619 6.707 1.00 0.00 C ATOM 1847 C PRO B 9 -1.496 -13.078 7.167 1.00 0.00 C ATOM 1848 O PRO B 9 -2.355 -13.515 7.906 1.00 0.00 O ATOM 1849 CB PRO B 9 -2.204 -10.724 7.724 1.00 0.00 C ATOM 1850 CG PRO B 9 -3.632 -10.530 7.207 1.00 0.00 C ATOM 1851 CD PRO B 9 -3.588 -10.830 5.706 1.00 0.00 C ATOM 0 HA PRO B 9 -0.457 -11.335 6.582 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -2.207 -11.185 8.712 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -1.691 -9.767 7.820 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -4.325 -11.199 7.717 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -3.978 -9.513 7.391 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -4.403 -11.495 5.419 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -3.702 -9.916 5.124 1.00 0.00 H new ATOM 1859 N ASP B 10 -0.516 -13.827 6.736 1.00 0.00 N ATOM 1860 CA ASP B 10 -0.422 -15.256 7.141 1.00 0.00 C ATOM 1861 C ASP B 10 -1.632 -16.030 6.608 1.00 0.00 C ATOM 1862 O ASP B 10 -2.664 -15.456 6.325 1.00 0.00 O ATOM 1863 CB ASP B 10 -0.389 -15.352 8.668 1.00 0.00 C ATOM 1864 CG ASP B 10 0.995 -15.825 9.118 1.00 0.00 C ATOM 1865 OD1 ASP B 10 1.926 -15.692 8.343 1.00 0.00 O ATOM 1866 OD2 ASP B 10 1.099 -16.313 10.232 1.00 0.00 O ATOM 0 H ASP B 10 0.228 -13.506 6.116 1.00 0.00 H new ATOM 0 HA ASP B 10 0.490 -15.686 6.727 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.615 -14.381 9.109 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.154 -16.046 9.016 1.00 0.00 H new