USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 806 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 69 ASN : amide:sc= -0.94 K(o=-2.5,f=-5.7!) USER MOD Set 1.2: A 91 MET CE :methyl 158:sc= -1.6 (180deg=-2.53!) USER MOD Set 2.1: A 44 CYS SG : rot 71:sc= 0.162 USER MOD Set 2.2: A 68 ASN : amide:sc= -2.15 K(o=-2,f=-4.9!) USER MOD Set 3.1: A 25 TYR OH : rot -118:sc= 0.398 USER MOD Set 3.2: A 48 HIS : no HD1:sc= -5.12! C(o=-4.7!,f=-8.6!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 166:sc=-0.00343 (180deg=-0.0992) USER MOD Single : A 18 CYS SG : rot -144:sc= 1.31 USER MOD Single : A 19 GLN :FLIP amide:sc= -1.65 F(o=-3.6!,f=-1.6) USER MOD Single : A 21 GLN : amide:sc= 0.025 K(o=0.025,f=-5.7!) USER MOD Single : A 22 THR OG1 : rot -65:sc= 1.02 USER MOD Single : A 29 ASN : amide:sc= -0.918 K(o=-0.92,f=-1.4) USER MOD Single : A 31 THR OG1 : rot -29:sc= 0.49 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.32 USER MOD Single : A 35 MET CE :methyl 162:sc= -0.0419 (180deg=-0.405) USER MOD Single : A 36 SER OG : rot -110:sc= -0.836 USER MOD Single : A 38 LYS NZ :NH3+ -141:sc= -0.739 (180deg=-2.5!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 95:sc= 0.0733 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0875 K(o=-0.087,f=-0.89) USER MOD Single : A 64 ASN : amide:sc= -1.79 K(o=-1.8,f=-3.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.0129 X(o=-0.013,f=-0.013) USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0193) USER MOD Single : A 83 SER OG : rot 23:sc= 0.058 USER MOD Single : A 86 MET CE :methyl -133:sc= 0 (180deg=-1.02) USER MOD Single : A 87 THR OG1 : rot -170:sc= -1.82 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 170:sc= -0.296 USER MOD Single : A 99 LYS NZ :NH3+ -156:sc= -0.114 (180deg=-0.527) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -165:sc= -0.0401 (180deg=-0.377) USER MOD Single : A 104 MET CE :methyl 159:sc= -0.455 (180deg=-1.52!) USER MOD Single : A 105 TYR OH : rot -108:sc= 0.144 USER MOD Single : A 107 THR OG1 : rot 72:sc= 1.17 USER MOD Single : A 108 GLN : amide:sc= -3.9! C(o=-3.9!,f=-3.9!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 163:sc= 0 (180deg=-0.0579) USER MOD Single : A 114 LYS NZ :NH3+ -173:sc= 0.0119 (180deg=0.00803) USER MOD ----------------------------------------------------------------- ATOM 127 N SER A 12 8.252 -9.047 -7.248 1.00 0.00 N ATOM 128 CA SER A 12 8.083 -7.925 -8.164 1.00 0.00 C ATOM 129 C SER A 12 8.860 -6.705 -7.678 1.00 0.00 C ATOM 130 O SER A 12 8.786 -6.333 -6.506 1.00 0.00 O ATOM 131 CB SER A 12 6.600 -7.575 -8.307 1.00 0.00 C ATOM 132 OG SER A 12 6.371 -6.791 -9.465 1.00 0.00 O ATOM 0 HA SER A 12 8.475 -8.220 -9.137 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.011 -8.490 -8.361 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.264 -7.032 -7.424 1.00 0.00 H new ATOM 0 HG SER A 12 5.416 -6.582 -9.535 1.00 0.00 H new ATOM 138 N LYS A 13 9.605 -6.085 -8.587 1.00 0.00 N ATOM 139 CA LYS A 13 10.396 -4.906 -8.254 1.00 0.00 C ATOM 140 C LYS A 13 9.653 -4.014 -7.265 1.00 0.00 C ATOM 141 O LYS A 13 10.233 -3.530 -6.292 1.00 0.00 O ATOM 142 CB LYS A 13 10.729 -4.115 -9.521 1.00 0.00 C ATOM 143 CG LYS A 13 11.638 -2.924 -9.273 1.00 0.00 C ATOM 144 CD LYS A 13 13.096 -3.343 -9.193 1.00 0.00 C ATOM 145 CE LYS A 13 13.699 -3.530 -10.577 1.00 0.00 C ATOM 146 NZ LYS A 13 13.943 -2.228 -11.257 1.00 0.00 N ATOM 0 H LYS A 13 9.678 -6.380 -9.561 1.00 0.00 H new ATOM 0 HA LYS A 13 11.323 -5.241 -7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.205 -4.781 -10.240 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.802 -3.765 -9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.511 -2.195 -10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.349 -2.431 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.663 -2.589 -8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.178 -4.273 -8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.638 -4.077 -10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.029 -4.138 -11.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.561 -2.377 -12.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.037 -1.826 -11.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.401 -1.571 -10.594 1.00 0.00 H new ATOM 160 N LEU A 14 8.366 -3.801 -7.519 1.00 0.00 N ATOM 161 CA LEU A 14 7.543 -2.968 -6.650 1.00 0.00 C ATOM 162 C LEU A 14 7.378 -3.610 -5.276 1.00 0.00 C ATOM 163 O LEU A 14 7.703 -3.005 -4.253 1.00 0.00 O ATOM 164 CB LEU A 14 6.171 -2.735 -7.285 1.00 0.00 C ATOM 165 CG LEU A 14 5.075 -2.226 -6.347 1.00 0.00 C ATOM 166 CD1 LEU A 14 5.174 -0.718 -6.179 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.701 -2.618 -6.870 1.00 0.00 C ATOM 0 H LEU A 14 7.871 -4.194 -8.319 1.00 0.00 H new ATOM 0 HA LEU A 14 8.046 -2.009 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.286 -2.019 -8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.835 -3.672 -7.730 1.00 0.00 H new ATOM 0 HG LEU A 14 5.215 -2.689 -5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.386 -0.374 -5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.146 -0.462 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.060 -0.236 -7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.934 -2.248 -6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.550 -2.184 -7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.633 -3.704 -6.937 1.00 0.00 H new ATOM 179 N LEU A 15 6.874 -4.839 -5.260 1.00 0.00 N ATOM 180 CA LEU A 15 6.668 -5.565 -4.012 1.00 0.00 C ATOM 181 C LEU A 15 7.762 -5.232 -3.001 1.00 0.00 C ATOM 182 O LEU A 15 7.485 -4.717 -1.919 1.00 0.00 O ATOM 183 CB LEU A 15 6.642 -7.072 -4.274 1.00 0.00 C ATOM 184 CG LEU A 15 6.794 -7.969 -3.045 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.553 -7.890 -2.169 1.00 0.00 C ATOM 186 CD2 LEU A 15 7.061 -9.408 -3.465 1.00 0.00 C ATOM 0 H LEU A 15 6.601 -5.354 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 15 5.708 -5.258 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.701 -7.319 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.441 -7.313 -4.976 1.00 0.00 H new ATOM 0 HG LEU A 15 7.646 -7.616 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.680 -8.535 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.405 -6.862 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.684 -8.217 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.167 -10.032 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.229 -9.772 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.979 -9.452 -4.051 1.00 0.00 H new ATOM 198 N GLY A 16 9.006 -5.528 -3.364 1.00 0.00 N ATOM 199 CA GLY A 16 10.123 -5.251 -2.480 1.00 0.00 C ATOM 200 C GLY A 16 9.975 -3.927 -1.756 1.00 0.00 C ATOM 201 O GLY A 16 9.821 -3.893 -0.535 1.00 0.00 O ATOM 0 H GLY A 16 9.260 -5.955 -4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.211 -6.054 -1.748 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.047 -5.244 -3.058 1.00 0.00 H new ATOM 205 N TRP A 17 10.023 -2.835 -2.510 1.00 0.00 N ATOM 206 CA TRP A 17 9.895 -1.502 -1.932 1.00 0.00 C ATOM 207 C TRP A 17 8.942 -1.514 -0.742 1.00 0.00 C ATOM 208 O TRP A 17 9.279 -1.030 0.339 1.00 0.00 O ATOM 209 CB TRP A 17 9.399 -0.512 -2.988 1.00 0.00 C ATOM 210 CG TRP A 17 9.444 0.915 -2.531 1.00 0.00 C ATOM 211 CD1 TRP A 17 10.530 1.744 -2.535 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.356 1.680 -2.001 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.182 2.977 -2.040 1.00 0.00 N ATOM 214 CE2 TRP A 17 8.853 2.964 -1.706 1.00 0.00 C ATOM 215 CE3 TRP A 17 7.009 1.405 -1.749 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.051 3.968 -1.172 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.214 2.403 -1.218 1.00 0.00 C ATOM 218 CH2 TRP A 17 6.736 3.672 -0.935 1.00 0.00 C ATOM 0 H TRP A 17 10.149 -2.846 -3.522 1.00 0.00 H new ATOM 0 HA TRP A 17 10.879 -1.188 -1.583 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.005 -0.617 -3.888 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.375 -0.766 -3.262 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.517 1.470 -2.877 1.00 0.00 H new ATOM 0 HE1 TRP A 17 10.811 3.773 -1.938 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.597 0.430 -1.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.452 4.946 -0.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.172 2.201 -1.018 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.088 4.431 -0.522 1.00 0.00 H new ATOM 229 N CYS A 18 7.753 -2.068 -0.947 1.00 0.00 N ATOM 230 CA CYS A 18 6.751 -2.142 0.111 1.00 0.00 C ATOM 231 C CYS A 18 7.291 -2.899 1.320 1.00 0.00 C ATOM 232 O CYS A 18 7.172 -2.439 2.455 1.00 0.00 O ATOM 233 CB CYS A 18 5.482 -2.822 -0.407 1.00 0.00 C ATOM 234 SG CYS A 18 4.827 -2.102 -1.930 1.00 0.00 S ATOM 0 H CYS A 18 7.459 -2.473 -1.836 1.00 0.00 H new ATOM 0 HA CYS A 18 6.509 -1.125 0.421 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.693 -3.878 -0.578 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.715 -2.771 0.365 1.00 0.00 H new ATOM 0 HG CYS A 18 3.528 -2.143 -1.906 1.00 0.00 H new ATOM 240 N GLN A 19 7.884 -4.062 1.067 1.00 0.00 N ATOM 241 CA GLN A 19 8.441 -4.883 2.136 1.00 0.00 C ATOM 242 C GLN A 19 9.522 -4.124 2.898 1.00 0.00 C ATOM 243 O GLN A 19 9.497 -4.057 4.127 1.00 0.00 O ATOM 244 CB GLN A 19 9.017 -6.179 1.564 1.00 0.00 C ATOM 245 CG GLN A 19 8.005 -7.005 0.787 1.00 0.00 C ATOM 246 CD GLN A 19 8.306 -8.490 0.832 1.00 0.00 C ATOM 247 OE1 GLN A 19 7.359 -9.300 0.372 1.00 0.00 O flip ATOM 248 NE2 GLN A 19 9.377 -8.905 1.275 1.00 0.00 N flip ATOM 0 H GLN A 19 7.991 -4.456 0.132 1.00 0.00 H new ATOM 0 HA GLN A 19 7.637 -5.127 2.830 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.854 -5.937 0.910 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.415 -6.781 2.381 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.009 -6.828 1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.990 -6.672 -0.251 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.076 -8.247 1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.565 -9.907 1.299 1.00 0.00 H new ATOM 257 N ARG A 20 10.470 -3.555 2.161 1.00 0.00 N ATOM 258 CA ARG A 20 11.561 -2.802 2.769 1.00 0.00 C ATOM 259 C ARG A 20 11.025 -1.621 3.573 1.00 0.00 C ATOM 260 O ARG A 20 11.375 -1.443 4.739 1.00 0.00 O ATOM 261 CB ARG A 20 12.527 -2.305 1.692 1.00 0.00 C ATOM 262 CG ARG A 20 13.413 -3.397 1.116 1.00 0.00 C ATOM 263 CD ARG A 20 12.592 -4.470 0.418 1.00 0.00 C ATOM 264 NE ARG A 20 13.435 -5.506 -0.173 1.00 0.00 N ATOM 265 CZ ARG A 20 14.220 -5.304 -1.225 1.00 0.00 C ATOM 266 NH1 ARG A 20 14.270 -4.110 -1.800 1.00 0.00 N ATOM 267 NH2 ARG A 20 14.958 -6.297 -1.705 1.00 0.00 N ATOM 0 H ARG A 20 10.505 -3.601 1.143 1.00 0.00 H new ATOM 0 HA ARG A 20 12.095 -3.467 3.447 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.954 -1.850 0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.158 -1.523 2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 20 14.118 -2.960 0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 20 14.001 -3.849 1.915 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.907 -4.925 1.133 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.982 -4.011 -0.360 1.00 0.00 H new ATOM 0 HE ARG A 20 13.420 -6.436 0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.705 -3.344 -1.434 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.874 -3.958 -2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.923 -7.217 -1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.560 -6.140 -2.513 1.00 0.00 H new ATOM 281 N GLN A 21 10.177 -0.817 2.940 1.00 0.00 N ATOM 282 CA GLN A 21 9.595 0.347 3.596 1.00 0.00 C ATOM 283 C GLN A 21 8.704 -0.073 4.760 1.00 0.00 C ATOM 284 O GLN A 21 8.981 0.250 5.916 1.00 0.00 O ATOM 285 CB GLN A 21 8.788 1.173 2.593 1.00 0.00 C ATOM 286 CG GLN A 21 9.637 1.807 1.503 1.00 0.00 C ATOM 287 CD GLN A 21 10.952 2.348 2.029 1.00 0.00 C ATOM 288 OE1 GLN A 21 10.993 3.021 3.059 1.00 0.00 O ATOM 289 NE2 GLN A 21 12.038 2.056 1.322 1.00 0.00 N ATOM 0 H GLN A 21 9.878 -0.951 1.974 1.00 0.00 H new ATOM 0 HA GLN A 21 10.409 0.957 3.987 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.036 0.534 2.130 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.254 1.958 3.128 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.837 1.068 0.727 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.076 2.616 1.035 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.959 1.495 0.474 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.951 2.393 1.627 1.00 0.00 H new ATOM 298 N THR A 22 7.632 -0.794 4.449 1.00 0.00 N ATOM 299 CA THR A 22 6.700 -1.257 5.469 1.00 0.00 C ATOM 300 C THR A 22 7.440 -1.845 6.664 1.00 0.00 C ATOM 301 O THR A 22 7.026 -1.671 7.811 1.00 0.00 O ATOM 302 CB THR A 22 5.732 -2.316 4.907 1.00 0.00 C ATOM 303 OG1 THR A 22 6.456 -3.496 4.542 1.00 0.00 O ATOM 304 CG2 THR A 22 4.985 -1.778 3.696 1.00 0.00 C ATOM 0 H THR A 22 7.388 -1.070 3.498 1.00 0.00 H new ATOM 0 HA THR A 22 6.128 -0.387 5.792 1.00 0.00 H new ATOM 0 HB THR A 22 5.006 -2.561 5.682 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.061 -3.292 3.798 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.308 -2.543 3.317 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.412 -0.897 3.984 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.699 -1.508 2.918 1.00 0.00 H new ATOM 312 N ASP A 23 8.537 -2.543 6.390 1.00 0.00 N ATOM 313 CA ASP A 23 9.337 -3.156 7.444 1.00 0.00 C ATOM 314 C ASP A 23 9.562 -2.178 8.594 1.00 0.00 C ATOM 315 O ASP A 23 10.075 -1.078 8.395 1.00 0.00 O ATOM 316 CB ASP A 23 10.682 -3.624 6.886 1.00 0.00 C ATOM 317 CG ASP A 23 11.545 -4.291 7.939 1.00 0.00 C ATOM 318 OD1 ASP A 23 12.021 -3.584 8.852 1.00 0.00 O ATOM 319 OD2 ASP A 23 11.743 -5.521 7.851 1.00 0.00 O ATOM 0 H ASP A 23 8.892 -2.698 5.447 1.00 0.00 H new ATOM 0 HA ASP A 23 8.791 -4.019 7.826 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.509 -4.322 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.216 -2.770 6.470 1.00 0.00 H new ATOM 324 N GLY A 24 9.173 -2.589 9.797 1.00 0.00 N ATOM 325 CA GLY A 24 9.339 -1.737 10.961 1.00 0.00 C ATOM 326 C GLY A 24 8.039 -1.515 11.707 1.00 0.00 C ATOM 327 O GLY A 24 8.042 -1.265 12.913 1.00 0.00 O ATOM 0 H GLY A 24 8.746 -3.496 9.987 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.069 -2.186 11.635 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.744 -0.774 10.648 1.00 0.00 H new ATOM 331 N TYR A 25 6.924 -1.604 10.990 1.00 0.00 N ATOM 332 CA TYR A 25 5.610 -1.407 11.591 1.00 0.00 C ATOM 333 C TYR A 25 5.238 -2.585 12.486 1.00 0.00 C ATOM 334 O TYR A 25 6.028 -3.510 12.674 1.00 0.00 O ATOM 335 CB TYR A 25 4.551 -1.224 10.503 1.00 0.00 C ATOM 336 CG TYR A 25 4.365 0.214 10.075 1.00 0.00 C ATOM 337 CD1 TYR A 25 5.240 0.811 9.176 1.00 0.00 C ATOM 338 CD2 TYR A 25 3.313 0.976 10.568 1.00 0.00 C ATOM 339 CE1 TYR A 25 5.075 2.125 8.783 1.00 0.00 C ATOM 340 CE2 TYR A 25 3.138 2.290 10.179 1.00 0.00 C ATOM 341 CZ TYR A 25 4.022 2.860 9.287 1.00 0.00 C ATOM 342 OH TYR A 25 3.853 4.168 8.896 1.00 0.00 O ATOM 0 H TYR A 25 6.904 -1.811 9.992 1.00 0.00 H new ATOM 0 HA TYR A 25 5.650 -0.507 12.204 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.829 -1.820 9.634 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.599 -1.613 10.865 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.064 0.238 8.777 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.620 0.533 11.268 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.766 2.574 8.085 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.314 2.867 10.571 1.00 0.00 H new ATOM 0 HH TYR A 25 3.932 4.756 9.676 1.00 0.00 H new ATOM 352 N ALA A 26 4.029 -2.544 13.035 1.00 0.00 N ATOM 353 CA ALA A 26 3.549 -3.608 13.908 1.00 0.00 C ATOM 354 C ALA A 26 2.327 -4.297 13.313 1.00 0.00 C ATOM 355 O ALA A 26 1.244 -3.717 13.250 1.00 0.00 O ATOM 356 CB ALA A 26 3.225 -3.053 15.287 1.00 0.00 C ATOM 0 H ALA A 26 3.363 -1.785 12.891 1.00 0.00 H new ATOM 0 HA ALA A 26 4.341 -4.351 14.004 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.868 -3.858 15.929 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.122 -2.613 15.722 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.452 -2.289 15.199 1.00 0.00 H new ATOM 362 N GLY A 27 2.508 -5.540 12.875 1.00 0.00 N ATOM 363 CA GLY A 27 1.411 -6.288 12.290 1.00 0.00 C ATOM 364 C GLY A 27 1.236 -5.999 10.812 1.00 0.00 C ATOM 365 O GLY A 27 0.170 -6.242 10.246 1.00 0.00 O ATOM 0 H GLY A 27 3.395 -6.042 12.915 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.587 -7.355 12.430 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.488 -6.045 12.816 1.00 0.00 H new ATOM 369 N VAL A 28 2.285 -5.477 10.184 1.00 0.00 N ATOM 370 CA VAL A 28 2.243 -5.153 8.763 1.00 0.00 C ATOM 371 C VAL A 28 3.284 -5.952 7.987 1.00 0.00 C ATOM 372 O VAL A 28 4.278 -5.402 7.515 1.00 0.00 O ATOM 373 CB VAL A 28 2.481 -3.651 8.522 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.411 -3.331 7.037 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.473 -2.821 9.303 1.00 0.00 C ATOM 0 H VAL A 28 3.175 -5.269 10.637 1.00 0.00 H new ATOM 0 HA VAL A 28 1.247 -5.417 8.408 1.00 0.00 H new ATOM 0 HB VAL A 28 3.480 -3.397 8.877 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.582 -2.265 6.886 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.175 -3.899 6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.427 -3.599 6.653 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.655 -1.762 9.121 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.464 -3.076 8.980 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.577 -3.030 10.368 1.00 0.00 H new ATOM 385 N ASN A 29 3.047 -7.254 7.858 1.00 0.00 N ATOM 386 CA ASN A 29 3.965 -8.130 7.138 1.00 0.00 C ATOM 387 C ASN A 29 3.530 -8.296 5.685 1.00 0.00 C ATOM 388 O ASN A 29 2.550 -8.982 5.393 1.00 0.00 O ATOM 389 CB ASN A 29 4.038 -9.497 7.820 1.00 0.00 C ATOM 390 CG ASN A 29 2.683 -10.172 7.909 1.00 0.00 C ATOM 391 OD1 ASN A 29 1.872 -9.849 8.777 1.00 0.00 O ATOM 392 ND2 ASN A 29 2.432 -11.116 7.009 1.00 0.00 N ATOM 0 H ASN A 29 2.228 -7.725 8.242 1.00 0.00 H new ATOM 0 HA ASN A 29 4.954 -7.671 7.153 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.725 -10.139 7.269 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.448 -9.378 8.823 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.537 -11.606 7.020 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.134 -11.351 6.307 1.00 0.00 H new ATOM 399 N VAL A 30 4.267 -7.665 4.776 1.00 0.00 N ATOM 400 CA VAL A 30 3.960 -7.744 3.353 1.00 0.00 C ATOM 401 C VAL A 30 4.593 -8.979 2.722 1.00 0.00 C ATOM 402 O VAL A 30 5.799 -9.013 2.471 1.00 0.00 O ATOM 403 CB VAL A 30 4.447 -6.490 2.603 1.00 0.00 C ATOM 404 CG1 VAL A 30 4.141 -6.605 1.117 1.00 0.00 C ATOM 405 CG2 VAL A 30 3.813 -5.239 3.191 1.00 0.00 C ATOM 0 H VAL A 30 5.081 -7.093 5.000 1.00 0.00 H new ATOM 0 HA VAL A 30 2.876 -7.811 3.266 1.00 0.00 H new ATOM 0 HB VAL A 30 5.528 -6.412 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.492 -5.710 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.646 -7.480 0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.065 -6.707 0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.168 -4.362 2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.729 -5.305 3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.087 -5.152 4.242 1.00 0.00 H new ATOM 415 N THR A 31 3.773 -9.994 2.467 1.00 0.00 N ATOM 416 CA THR A 31 4.253 -11.231 1.865 1.00 0.00 C ATOM 417 C THR A 31 3.556 -11.503 0.537 1.00 0.00 C ATOM 418 O THR A 31 3.953 -12.397 -0.211 1.00 0.00 O ATOM 419 CB THR A 31 4.033 -12.434 2.803 1.00 0.00 C ATOM 420 OG1 THR A 31 4.610 -13.613 2.231 1.00 0.00 O ATOM 421 CG2 THR A 31 2.549 -12.660 3.054 1.00 0.00 C ATOM 0 H THR A 31 2.773 -9.983 2.668 1.00 0.00 H new ATOM 0 HA THR A 31 5.322 -11.105 1.692 1.00 0.00 H new ATOM 0 HB THR A 31 4.518 -12.218 3.755 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.591 -13.545 1.254 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.418 -13.514 3.719 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.119 -11.771 3.516 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.046 -12.857 2.107 1.00 0.00 H new ATOM 429 N ASP A 32 2.517 -10.727 0.250 1.00 0.00 N ATOM 430 CA ASP A 32 1.766 -10.883 -0.991 1.00 0.00 C ATOM 431 C ASP A 32 1.364 -9.525 -1.557 1.00 0.00 C ATOM 432 O ASP A 32 1.535 -8.494 -0.906 1.00 0.00 O ATOM 433 CB ASP A 32 0.521 -11.739 -0.754 1.00 0.00 C ATOM 434 CG ASP A 32 0.847 -13.215 -0.635 1.00 0.00 C ATOM 435 OD1 ASP A 32 1.022 -13.871 -1.684 1.00 0.00 O ATOM 436 OD2 ASP A 32 0.928 -13.715 0.506 1.00 0.00 O ATOM 0 H ASP A 32 2.175 -9.984 0.859 1.00 0.00 H new ATOM 0 HA ASP A 32 2.409 -11.383 -1.716 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.022 -11.406 0.156 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.181 -11.590 -1.575 1.00 0.00 H new ATOM 441 N LEU A 33 0.831 -9.532 -2.774 1.00 0.00 N ATOM 442 CA LEU A 33 0.406 -8.300 -3.430 1.00 0.00 C ATOM 443 C LEU A 33 -1.096 -8.314 -3.693 1.00 0.00 C ATOM 444 O LEU A 33 -1.601 -7.549 -4.515 1.00 0.00 O ATOM 445 CB LEU A 33 1.164 -8.111 -4.745 1.00 0.00 C ATOM 446 CG LEU A 33 2.652 -7.781 -4.620 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.280 -7.620 -5.995 1.00 0.00 C ATOM 448 CD2 LEU A 33 2.852 -6.521 -3.789 1.00 0.00 C ATOM 0 H LEU A 33 0.683 -10.377 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 33 0.632 -7.467 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.063 -9.023 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.681 -7.312 -5.308 1.00 0.00 H new ATOM 0 HG LEU A 33 3.146 -8.609 -4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.339 -7.385 -5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.170 -8.548 -6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.782 -6.811 -6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.917 -6.302 -3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.344 -5.684 -4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.439 -6.673 -2.792 1.00 0.00 H new ATOM 460 N THR A 34 -1.807 -9.189 -2.989 1.00 0.00 N ATOM 461 CA THR A 34 -3.252 -9.303 -3.146 1.00 0.00 C ATOM 462 C THR A 34 -3.971 -9.033 -1.829 1.00 0.00 C ATOM 463 O THR A 34 -4.562 -7.970 -1.641 1.00 0.00 O ATOM 464 CB THR A 34 -3.653 -10.699 -3.659 1.00 0.00 C ATOM 465 OG1 THR A 34 -3.018 -11.712 -2.872 1.00 0.00 O ATOM 466 CG2 THR A 34 -3.267 -10.869 -5.121 1.00 0.00 C ATOM 0 H THR A 34 -1.406 -9.829 -2.304 1.00 0.00 H new ATOM 0 HA THR A 34 -3.550 -8.554 -3.880 1.00 0.00 H new ATOM 0 HB THR A 34 -4.735 -10.797 -3.571 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.280 -12.596 -3.204 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.560 -11.862 -5.462 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.776 -10.115 -5.722 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.189 -10.752 -5.229 1.00 0.00 H new ATOM 474 N MET A 35 -3.915 -10.001 -0.920 1.00 0.00 N ATOM 475 CA MET A 35 -4.560 -9.865 0.381 1.00 0.00 C ATOM 476 C MET A 35 -3.721 -9.000 1.316 1.00 0.00 C ATOM 477 O MET A 35 -4.257 -8.226 2.108 1.00 0.00 O ATOM 478 CB MET A 35 -4.787 -11.242 1.007 1.00 0.00 C ATOM 479 CG MET A 35 -3.500 -11.960 1.381 1.00 0.00 C ATOM 480 SD MET A 35 -3.790 -13.621 2.018 1.00 0.00 S ATOM 481 CE MET A 35 -4.340 -14.461 0.535 1.00 0.00 C ATOM 0 H MET A 35 -3.430 -10.887 -1.060 1.00 0.00 H new ATOM 0 HA MET A 35 -5.524 -9.378 0.232 1.00 0.00 H new ATOM 0 HB2 MET A 35 -5.403 -11.129 1.899 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.349 -11.862 0.308 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.854 -12.019 0.505 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.967 -11.375 2.131 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.254 -15.539 0.674 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.380 -14.203 0.335 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.721 -14.153 -0.308 1.00 0.00 H new ATOM 491 N SER A 36 -2.403 -9.138 1.219 1.00 0.00 N ATOM 492 CA SER A 36 -1.490 -8.372 2.059 1.00 0.00 C ATOM 493 C SER A 36 -1.980 -6.936 2.225 1.00 0.00 C ATOM 494 O SER A 36 -1.724 -6.296 3.245 1.00 0.00 O ATOM 495 CB SER A 36 -0.083 -8.377 1.457 1.00 0.00 C ATOM 496 OG SER A 36 0.833 -7.697 2.298 1.00 0.00 O ATOM 0 H SER A 36 -1.943 -9.773 0.567 1.00 0.00 H new ATOM 0 HA SER A 36 -1.458 -8.843 3.042 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.249 -9.405 1.308 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.102 -7.903 0.476 1.00 0.00 H new ATOM 0 HG SER A 36 1.104 -6.856 1.874 1.00 0.00 H new ATOM 502 N TRP A 37 -2.683 -6.438 1.215 1.00 0.00 N ATOM 503 CA TRP A 37 -3.209 -5.078 1.247 1.00 0.00 C ATOM 504 C TRP A 37 -4.697 -5.078 1.582 1.00 0.00 C ATOM 505 O TRP A 37 -5.228 -4.093 2.097 1.00 0.00 O ATOM 506 CB TRP A 37 -2.976 -4.387 -0.097 1.00 0.00 C ATOM 507 CG TRP A 37 -1.553 -4.457 -0.562 1.00 0.00 C ATOM 508 CD1 TRP A 37 -0.925 -5.535 -1.118 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.581 -3.408 -0.510 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.379 -5.219 -1.414 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.614 -3.919 -1.052 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.605 -2.085 -0.060 1.00 0.00 C ATOM 513 CZ2 TRP A 37 1.773 -3.153 -1.153 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.546 -1.326 -0.161 1.00 0.00 C ATOM 515 CH2 TRP A 37 1.721 -1.862 -0.705 1.00 0.00 C ATOM 0 H TRP A 37 -2.902 -6.955 0.364 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.680 -4.529 2.026 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.619 -4.844 -0.849 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.273 -3.341 -0.016 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.386 -6.495 -1.298 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.061 -5.850 -1.835 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.507 -1.663 0.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.680 -3.564 -1.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.540 -0.303 0.185 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.603 -1.243 -0.772 1.00 0.00 H new ATOM 526 N LYS A 38 -5.366 -6.187 1.286 1.00 0.00 N ATOM 527 CA LYS A 38 -6.793 -6.316 1.557 1.00 0.00 C ATOM 528 C LYS A 38 -7.129 -5.813 2.957 1.00 0.00 C ATOM 529 O LYS A 38 -8.212 -5.279 3.192 1.00 0.00 O ATOM 530 CB LYS A 38 -7.232 -7.774 1.408 1.00 0.00 C ATOM 531 CG LYS A 38 -7.607 -8.154 -0.014 1.00 0.00 C ATOM 532 CD LYS A 38 -8.074 -9.597 -0.101 1.00 0.00 C ATOM 533 CE LYS A 38 -9.551 -9.727 0.238 1.00 0.00 C ATOM 534 NZ LYS A 38 -9.792 -9.661 1.706 1.00 0.00 N ATOM 0 H LYS A 38 -4.942 -7.010 0.858 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.331 -5.705 0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.426 -8.424 1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.086 -7.956 2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.396 -7.493 -0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.748 -8.009 -0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.896 -9.978 -1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.488 -10.212 0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.108 -8.932 -0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.931 -10.672 -0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.533 -10.342 1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.914 -9.894 2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.097 -8.701 1.965 1.00 0.00 H new ATOM 548 N SER A 39 -6.191 -5.987 3.884 1.00 0.00 N ATOM 549 CA SER A 39 -6.389 -5.553 5.262 1.00 0.00 C ATOM 550 C SER A 39 -6.552 -4.038 5.336 1.00 0.00 C ATOM 551 O SER A 39 -7.510 -3.533 5.919 1.00 0.00 O ATOM 552 CB SER A 39 -5.211 -5.995 6.132 1.00 0.00 C ATOM 553 OG SER A 39 -5.598 -6.120 7.489 1.00 0.00 O ATOM 0 H SER A 39 -5.287 -6.425 3.705 1.00 0.00 H new ATOM 0 HA SER A 39 -7.301 -6.017 5.636 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.826 -6.949 5.771 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.400 -5.271 6.047 1.00 0.00 H new ATOM 0 HG SER A 39 -4.828 -6.405 8.024 1.00 0.00 H new ATOM 559 N GLY A 40 -5.606 -3.318 4.741 1.00 0.00 N ATOM 560 CA GLY A 40 -5.661 -1.868 4.751 1.00 0.00 C ATOM 561 C GLY A 40 -4.471 -1.247 5.455 1.00 0.00 C ATOM 562 O GLY A 40 -3.963 -0.207 5.033 1.00 0.00 O ATOM 0 H GLY A 40 -4.803 -3.713 4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.704 -1.502 3.725 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.579 -1.546 5.243 1.00 0.00 H new ATOM 566 N LEU A 41 -4.024 -1.884 6.531 1.00 0.00 N ATOM 567 CA LEU A 41 -2.886 -1.387 7.297 1.00 0.00 C ATOM 568 C LEU A 41 -1.709 -1.071 6.380 1.00 0.00 C ATOM 569 O LEU A 41 -1.296 0.082 6.258 1.00 0.00 O ATOM 570 CB LEU A 41 -2.467 -2.414 8.350 1.00 0.00 C ATOM 571 CG LEU A 41 -3.526 -2.781 9.390 1.00 0.00 C ATOM 572 CD1 LEU A 41 -3.121 -4.037 10.145 1.00 0.00 C ATOM 573 CD2 LEU A 41 -3.749 -1.625 10.354 1.00 0.00 C ATOM 0 H LEU A 41 -4.432 -2.746 6.893 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.190 -0.467 7.797 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.159 -3.325 7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.591 -2.031 8.873 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.463 -2.981 8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.887 -4.282 10.881 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.013 -4.864 9.444 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.172 -3.866 10.653 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.506 -1.904 11.087 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.815 -1.393 10.866 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.086 -0.749 9.800 1.00 0.00 H new ATOM 585 N ALA A 42 -1.173 -2.104 5.737 1.00 0.00 N ATOM 586 CA ALA A 42 -0.046 -1.936 4.828 1.00 0.00 C ATOM 587 C ALA A 42 -0.131 -0.605 4.088 1.00 0.00 C ATOM 588 O ALA A 42 0.684 0.292 4.308 1.00 0.00 O ATOM 589 CB ALA A 42 0.009 -3.090 3.838 1.00 0.00 C ATOM 0 H ALA A 42 -1.501 -3.065 5.829 1.00 0.00 H new ATOM 0 HA ALA A 42 0.870 -1.935 5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.855 -2.952 3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.125 -4.029 4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.914 -3.117 3.259 1.00 0.00 H new ATOM 595 N LEU A 43 -1.120 -0.483 3.211 1.00 0.00 N ATOM 596 CA LEU A 43 -1.311 0.739 2.437 1.00 0.00 C ATOM 597 C LEU A 43 -1.201 1.971 3.330 1.00 0.00 C ATOM 598 O LEU A 43 -0.603 2.976 2.946 1.00 0.00 O ATOM 599 CB LEU A 43 -2.674 0.719 1.742 1.00 0.00 C ATOM 600 CG LEU A 43 -2.859 1.718 0.600 1.00 0.00 C ATOM 601 CD1 LEU A 43 -1.594 1.812 -0.238 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.047 1.325 -0.265 1.00 0.00 C ATOM 0 H LEU A 43 -1.803 -1.215 3.017 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.526 0.788 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.846 -0.284 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.444 0.906 2.490 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.058 2.700 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.745 2.528 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.766 2.142 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.363 0.833 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.164 2.047 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.878 0.334 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.951 1.312 0.343 1.00 0.00 H new ATOM 614 N CYS A 44 -1.780 1.884 4.522 1.00 0.00 N ATOM 615 CA CYS A 44 -1.746 2.992 5.471 1.00 0.00 C ATOM 616 C CYS A 44 -0.319 3.265 5.937 1.00 0.00 C ATOM 617 O CYS A 44 0.095 4.417 6.058 1.00 0.00 O ATOM 618 CB CYS A 44 -2.639 2.688 6.674 1.00 0.00 C ATOM 619 SG CYS A 44 -4.357 2.322 6.245 1.00 0.00 S ATOM 0 H CYS A 44 -2.278 1.059 4.855 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.121 3.882 4.966 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.223 1.839 7.217 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.619 3.541 7.352 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.423 1.157 5.673 1.00 0.00 H new ATOM 625 N ALA A 45 0.427 2.196 6.199 1.00 0.00 N ATOM 626 CA ALA A 45 1.807 2.320 6.652 1.00 0.00 C ATOM 627 C ALA A 45 2.689 2.925 5.565 1.00 0.00 C ATOM 628 O ALA A 45 3.795 3.391 5.838 1.00 0.00 O ATOM 629 CB ALA A 45 2.346 0.963 7.078 1.00 0.00 C ATOM 0 H ALA A 45 0.099 1.235 6.105 1.00 0.00 H new ATOM 0 HA ALA A 45 1.823 2.991 7.511 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.377 1.070 7.414 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.738 0.569 7.893 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.309 0.275 6.233 1.00 0.00 H new ATOM 635 N ILE A 46 2.193 2.913 4.332 1.00 0.00 N ATOM 636 CA ILE A 46 2.937 3.460 3.204 1.00 0.00 C ATOM 637 C ILE A 46 2.850 4.983 3.176 1.00 0.00 C ATOM 638 O ILE A 46 3.866 5.670 3.068 1.00 0.00 O ATOM 639 CB ILE A 46 2.420 2.903 1.865 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.601 1.384 1.816 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.142 3.566 0.702 1.00 0.00 C ATOM 642 CD1 ILE A 46 4.035 0.954 1.595 1.00 0.00 C ATOM 0 H ILE A 46 1.279 2.530 4.089 1.00 0.00 H new ATOM 0 HA ILE A 46 3.976 3.159 3.336 1.00 0.00 H new ATOM 0 HB ILE A 46 1.356 3.126 1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.240 0.953 2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.981 0.978 1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.766 3.162 -0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.967 4.641 0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.212 3.370 0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.089 -0.134 1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.393 1.356 0.647 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.657 1.330 2.407 1.00 0.00 H new ATOM 654 N ILE A 47 1.631 5.502 3.275 1.00 0.00 N ATOM 655 CA ILE A 47 1.412 6.943 3.264 1.00 0.00 C ATOM 656 C ILE A 47 2.010 7.600 4.503 1.00 0.00 C ATOM 657 O ILE A 47 2.599 8.678 4.424 1.00 0.00 O ATOM 658 CB ILE A 47 -0.088 7.284 3.189 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.679 6.796 1.864 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.299 8.782 3.349 1.00 0.00 C ATOM 661 CD1 ILE A 47 -2.189 6.871 1.812 1.00 0.00 C ATOM 0 H ILE A 47 0.780 4.946 3.364 1.00 0.00 H new ATOM 0 HA ILE A 47 1.909 7.331 2.375 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.602 6.775 4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.265 7.391 1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.368 5.765 1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.364 9.007 3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.090 9.103 4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.225 9.310 2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.538 6.510 0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.611 6.253 2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.507 7.905 1.949 1.00 0.00 H new ATOM 673 N HIS A 48 1.856 6.942 5.648 1.00 0.00 N ATOM 674 CA HIS A 48 2.383 7.460 6.905 1.00 0.00 C ATOM 675 C HIS A 48 3.907 7.384 6.928 1.00 0.00 C ATOM 676 O HIS A 48 4.579 8.331 7.335 1.00 0.00 O ATOM 677 CB HIS A 48 1.804 6.680 8.086 1.00 0.00 C ATOM 678 CG HIS A 48 2.421 7.040 9.402 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.777 6.961 9.644 1.00 0.00 N ATOM 680 CD2 HIS A 48 1.861 7.485 10.551 1.00 0.00 C ATOM 681 CE1 HIS A 48 4.023 7.339 10.885 1.00 0.00 C ATOM 682 NE2 HIS A 48 2.877 7.663 11.457 1.00 0.00 N ATOM 0 H HIS A 48 1.370 6.049 5.731 1.00 0.00 H new ATOM 0 HA HIS A 48 2.088 8.506 6.990 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.730 6.858 8.137 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.942 5.613 7.909 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.810 7.666 10.723 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.996 7.377 11.353 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.765 7.992 12.416 1.00 0.00 H new ATOM 691 N ARG A 49 4.444 6.250 6.489 1.00 0.00 N ATOM 692 CA ARG A 49 5.888 6.050 6.461 1.00 0.00 C ATOM 693 C ARG A 49 6.611 7.351 6.126 1.00 0.00 C ATOM 694 O ARG A 49 7.607 7.701 6.759 1.00 0.00 O ATOM 695 CB ARG A 49 6.255 4.972 5.440 1.00 0.00 C ATOM 696 CG ARG A 49 7.745 4.890 5.149 1.00 0.00 C ATOM 697 CD ARG A 49 8.482 4.116 6.230 1.00 0.00 C ATOM 698 NE ARG A 49 9.670 3.445 5.710 1.00 0.00 N ATOM 699 CZ ARG A 49 10.448 2.654 6.441 1.00 0.00 C ATOM 700 NH1 ARG A 49 10.164 2.437 7.718 1.00 0.00 N ATOM 701 NH2 ARG A 49 11.511 2.079 5.895 1.00 0.00 N ATOM 0 H ARG A 49 3.901 5.456 6.148 1.00 0.00 H new ATOM 0 HA ARG A 49 6.204 5.724 7.452 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.911 4.005 5.806 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.722 5.168 4.510 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.902 4.408 4.184 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.158 5.896 5.074 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.772 4.797 7.030 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.811 3.377 6.668 1.00 0.00 H new ATOM 0 HE ARG A 49 9.916 3.592 4.731 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.347 2.878 8.141 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.763 1.829 8.277 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.732 2.244 4.913 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.108 1.472 6.457 1.00 0.00 H new ATOM 715 N TYR A 50 6.104 8.062 5.125 1.00 0.00 N ATOM 716 CA TYR A 50 6.703 9.323 4.703 1.00 0.00 C ATOM 717 C TYR A 50 5.944 10.510 5.289 1.00 0.00 C ATOM 718 O TYR A 50 6.543 11.431 5.845 1.00 0.00 O ATOM 719 CB TYR A 50 6.720 9.418 3.177 1.00 0.00 C ATOM 720 CG TYR A 50 7.693 8.463 2.522 1.00 0.00 C ATOM 721 CD1 TYR A 50 7.403 7.107 2.420 1.00 0.00 C ATOM 722 CD2 TYR A 50 8.901 8.915 2.006 1.00 0.00 C ATOM 723 CE1 TYR A 50 8.289 6.231 1.823 1.00 0.00 C ATOM 724 CE2 TYR A 50 9.792 8.046 1.406 1.00 0.00 C ATOM 725 CZ TYR A 50 9.481 6.705 1.318 1.00 0.00 C ATOM 726 OH TYR A 50 10.367 5.836 0.722 1.00 0.00 O ATOM 0 H TYR A 50 5.280 7.787 4.591 1.00 0.00 H new ATOM 0 HA TYR A 50 7.728 9.351 5.074 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.718 9.219 2.798 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.974 10.438 2.888 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.470 6.732 2.814 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.148 9.964 2.075 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.049 5.180 1.752 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.726 8.414 1.008 1.00 0.00 H new ATOM 0 HH TYR A 50 10.226 5.839 -0.248 1.00 0.00 H new ATOM 736 N ARG A 51 4.621 10.480 5.160 1.00 0.00 N ATOM 737 CA ARG A 51 3.779 11.552 5.675 1.00 0.00 C ATOM 738 C ARG A 51 2.728 11.004 6.636 1.00 0.00 C ATOM 739 O ARG A 51 1.658 10.549 6.231 1.00 0.00 O ATOM 740 CB ARG A 51 3.096 12.292 4.523 1.00 0.00 C ATOM 741 CG ARG A 51 4.057 12.749 3.438 1.00 0.00 C ATOM 742 CD ARG A 51 4.688 14.089 3.781 1.00 0.00 C ATOM 743 NE ARG A 51 3.690 15.149 3.900 1.00 0.00 N ATOM 744 CZ ARG A 51 3.996 16.435 4.032 1.00 0.00 C ATOM 745 NH1 ARG A 51 5.265 16.818 4.061 1.00 0.00 N ATOM 746 NH2 ARG A 51 3.032 17.340 4.135 1.00 0.00 N ATOM 0 H ARG A 51 4.110 9.725 4.703 1.00 0.00 H new ATOM 0 HA ARG A 51 4.415 12.250 6.219 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.344 11.640 4.079 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.571 13.160 4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.839 12.001 3.304 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.526 12.828 2.490 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.238 14.002 4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.411 14.357 3.011 1.00 0.00 H new ATOM 0 HE ARG A 51 2.704 14.887 3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.009 16.125 3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.497 17.806 4.162 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.055 17.049 4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.268 18.327 4.236 1.00 0.00 H new ATOM 760 N PRO A 52 3.038 11.048 7.941 1.00 0.00 N ATOM 761 CA PRO A 52 2.134 10.560 8.986 1.00 0.00 C ATOM 762 C PRO A 52 0.904 11.447 9.149 1.00 0.00 C ATOM 763 O PRO A 52 -0.166 10.975 9.535 1.00 0.00 O ATOM 764 CB PRO A 52 2.996 10.605 10.250 1.00 0.00 C ATOM 765 CG PRO A 52 4.022 11.649 9.972 1.00 0.00 C ATOM 766 CD PRO A 52 4.295 11.578 8.495 1.00 0.00 C ATOM 0 HA PRO A 52 1.742 9.569 8.756 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.400 10.859 11.127 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.459 9.638 10.448 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.660 12.637 10.255 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.930 11.466 10.546 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.534 12.558 8.083 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.139 10.925 8.273 1.00 0.00 H new ATOM 774 N ASP A 53 1.063 12.731 8.851 1.00 0.00 N ATOM 775 CA ASP A 53 -0.036 13.684 8.963 1.00 0.00 C ATOM 776 C ASP A 53 -1.230 13.237 8.126 1.00 0.00 C ATOM 777 O ASP A 53 -2.347 13.120 8.631 1.00 0.00 O ATOM 778 CB ASP A 53 0.420 15.075 8.521 1.00 0.00 C ATOM 779 CG ASP A 53 -0.622 16.141 8.796 1.00 0.00 C ATOM 780 OD1 ASP A 53 -1.793 15.940 8.410 1.00 0.00 O ATOM 781 OD2 ASP A 53 -0.268 17.176 9.399 1.00 0.00 O ATOM 0 H ASP A 53 1.942 13.137 8.530 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.343 13.726 10.008 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.344 15.333 9.038 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.646 15.058 7.455 1.00 0.00 H new ATOM 786 N LEU A 54 -0.987 12.988 6.843 1.00 0.00 N ATOM 787 CA LEU A 54 -2.042 12.555 5.934 1.00 0.00 C ATOM 788 C LEU A 54 -2.850 11.413 6.543 1.00 0.00 C ATOM 789 O LEU A 54 -4.050 11.548 6.785 1.00 0.00 O ATOM 790 CB LEU A 54 -1.442 12.115 4.598 1.00 0.00 C ATOM 791 CG LEU A 54 -0.367 13.030 4.011 1.00 0.00 C ATOM 792 CD1 LEU A 54 0.115 12.496 2.671 1.00 0.00 C ATOM 793 CD2 LEU A 54 -0.897 14.448 3.862 1.00 0.00 C ATOM 0 H LEU A 54 -0.068 13.079 6.409 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.711 13.399 5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.015 11.120 4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.250 12.025 3.872 1.00 0.00 H new ATOM 0 HG LEU A 54 0.480 13.050 4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.880 13.160 2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.535 11.499 2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.724 12.445 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.118 15.085 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.761 14.446 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.192 14.831 4.839 1.00 0.00 H new ATOM 805 N ILE A 55 -2.184 10.290 6.790 1.00 0.00 N ATOM 806 CA ILE A 55 -2.839 9.127 7.374 1.00 0.00 C ATOM 807 C ILE A 55 -2.254 8.795 8.743 1.00 0.00 C ATOM 808 O ILE A 55 -1.036 8.741 8.912 1.00 0.00 O ATOM 809 CB ILE A 55 -2.712 7.892 6.462 1.00 0.00 C ATOM 810 CG1 ILE A 55 -3.819 6.884 6.775 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.342 7.251 6.625 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.128 5.949 5.626 1.00 0.00 C ATOM 0 H ILE A 55 -1.191 10.161 6.595 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.893 9.382 7.484 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.820 8.212 5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.527 6.294 7.644 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.726 7.425 7.047 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.268 6.380 5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.569 7.971 6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.206 6.942 7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.922 5.262 5.919 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.451 6.529 4.762 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.234 5.381 5.368 1.00 0.00 H new ATOM 824 N ASP A 56 -3.131 8.573 9.716 1.00 0.00 N ATOM 825 CA ASP A 56 -2.702 8.244 11.071 1.00 0.00 C ATOM 826 C ASP A 56 -2.803 6.743 11.323 1.00 0.00 C ATOM 827 O ASP A 56 -3.898 6.200 11.472 1.00 0.00 O ATOM 828 CB ASP A 56 -3.547 9.004 12.095 1.00 0.00 C ATOM 829 CG ASP A 56 -2.787 9.287 13.376 1.00 0.00 C ATOM 830 OD1 ASP A 56 -1.539 9.257 13.344 1.00 0.00 O ATOM 831 OD2 ASP A 56 -3.440 9.538 14.410 1.00 0.00 O ATOM 0 H ASP A 56 -4.143 8.615 9.592 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.659 8.543 11.179 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.882 9.945 11.659 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.441 8.424 12.326 1.00 0.00 H new ATOM 836 N PHE A 57 -1.654 6.077 11.368 1.00 0.00 N ATOM 837 CA PHE A 57 -1.612 4.638 11.599 1.00 0.00 C ATOM 838 C PHE A 57 -1.843 4.317 13.073 1.00 0.00 C ATOM 839 O PHE A 57 -2.404 3.275 13.413 1.00 0.00 O ATOM 840 CB PHE A 57 -0.268 4.065 11.146 1.00 0.00 C ATOM 841 CG PHE A 57 -0.214 2.564 11.178 1.00 0.00 C ATOM 842 CD1 PHE A 57 0.151 1.896 12.336 1.00 0.00 C ATOM 843 CD2 PHE A 57 -0.530 1.822 10.052 1.00 0.00 C ATOM 844 CE1 PHE A 57 0.202 0.515 12.368 1.00 0.00 C ATOM 845 CE2 PHE A 57 -0.481 0.441 10.078 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.115 -0.213 11.238 1.00 0.00 C ATOM 0 H PHE A 57 -0.739 6.511 11.247 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.410 4.179 11.015 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.060 4.406 10.132 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.521 4.463 11.784 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.398 2.460 13.223 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.818 2.329 9.143 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.490 0.006 13.276 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.729 -0.126 9.193 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.077 -1.292 11.261 1.00 0.00 H new ATOM 856 N ASP A 58 -1.406 5.220 13.944 1.00 0.00 N ATOM 857 CA ASP A 58 -1.564 5.035 15.382 1.00 0.00 C ATOM 858 C ASP A 58 -3.035 4.860 15.748 1.00 0.00 C ATOM 859 O ASP A 58 -3.394 3.957 16.503 1.00 0.00 O ATOM 860 CB ASP A 58 -0.976 6.227 16.139 1.00 0.00 C ATOM 861 CG ASP A 58 -1.533 6.354 17.543 1.00 0.00 C ATOM 862 OD1 ASP A 58 -1.804 5.308 18.170 1.00 0.00 O ATOM 863 OD2 ASP A 58 -1.700 7.498 18.015 1.00 0.00 O ATOM 0 H ASP A 58 -0.939 6.088 13.679 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.026 4.131 15.669 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.108 6.123 16.189 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.183 7.143 15.585 1.00 0.00 H new ATOM 868 N SER A 59 -3.882 5.732 15.209 1.00 0.00 N ATOM 869 CA SER A 59 -5.313 5.677 15.483 1.00 0.00 C ATOM 870 C SER A 59 -5.947 4.458 14.820 1.00 0.00 C ATOM 871 O SER A 59 -6.720 3.729 15.443 1.00 0.00 O ATOM 872 CB SER A 59 -5.997 6.953 14.991 1.00 0.00 C ATOM 873 OG SER A 59 -7.404 6.865 15.134 1.00 0.00 O ATOM 0 H SER A 59 -3.602 6.485 14.580 1.00 0.00 H new ATOM 0 HA SER A 59 -5.448 5.593 16.561 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.624 7.809 15.553 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.745 7.124 13.945 1.00 0.00 H new ATOM 0 HG SER A 59 -7.818 7.694 14.814 1.00 0.00 H new ATOM 879 N LEU A 60 -5.614 4.243 13.552 1.00 0.00 N ATOM 880 CA LEU A 60 -6.149 3.112 12.801 1.00 0.00 C ATOM 881 C LEU A 60 -6.013 1.817 13.596 1.00 0.00 C ATOM 882 O LEU A 60 -5.081 1.656 14.384 1.00 0.00 O ATOM 883 CB LEU A 60 -5.428 2.978 11.459 1.00 0.00 C ATOM 884 CG LEU A 60 -5.774 4.030 10.404 1.00 0.00 C ATOM 885 CD1 LEU A 60 -4.798 3.958 9.239 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.203 3.846 9.916 1.00 0.00 C ATOM 0 H LEU A 60 -4.976 4.837 13.022 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.208 3.296 12.620 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.354 3.014 11.641 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.649 1.993 11.047 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.691 5.016 10.861 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.059 4.714 8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.786 4.139 9.601 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.849 2.969 8.783 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.432 4.603 9.166 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.312 2.855 9.476 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.890 3.948 10.756 1.00 0.00 H new ATOM 898 N ASP A 61 -6.947 0.897 13.382 1.00 0.00 N ATOM 899 CA ASP A 61 -6.929 -0.385 14.076 1.00 0.00 C ATOM 900 C ASP A 61 -6.729 -1.533 13.091 1.00 0.00 C ATOM 901 O ASP A 61 -7.000 -1.395 11.899 1.00 0.00 O ATOM 902 CB ASP A 61 -8.231 -0.586 14.854 1.00 0.00 C ATOM 903 CG ASP A 61 -8.085 -1.596 15.975 1.00 0.00 C ATOM 904 OD1 ASP A 61 -7.712 -2.753 15.686 1.00 0.00 O ATOM 905 OD2 ASP A 61 -8.344 -1.231 17.141 1.00 0.00 O ATOM 0 H ASP A 61 -7.726 1.015 12.734 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.093 -0.380 14.776 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.554 0.369 15.269 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.012 -0.917 14.170 1.00 0.00 H new ATOM 910 N GLU A 62 -6.252 -2.665 13.599 1.00 0.00 N ATOM 911 CA GLU A 62 -6.014 -3.836 12.763 1.00 0.00 C ATOM 912 C GLU A 62 -7.309 -4.607 12.524 1.00 0.00 C ATOM 913 O GLU A 62 -7.384 -5.451 11.632 1.00 0.00 O ATOM 914 CB GLU A 62 -4.975 -4.752 13.413 1.00 0.00 C ATOM 915 CG GLU A 62 -5.339 -5.180 14.825 1.00 0.00 C ATOM 916 CD GLU A 62 -4.871 -4.190 15.874 1.00 0.00 C ATOM 917 OE1 GLU A 62 -3.854 -3.506 15.632 1.00 0.00 O ATOM 918 OE2 GLU A 62 -5.521 -4.098 16.936 1.00 0.00 O ATOM 0 H GLU A 62 -6.023 -2.796 14.584 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.634 -3.492 11.801 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.849 -5.640 12.794 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.013 -4.239 13.434 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.420 -5.297 14.898 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.899 -6.156 15.030 1.00 0.00 H new ATOM 925 N GLN A 63 -8.324 -4.309 13.328 1.00 0.00 N ATOM 926 CA GLN A 63 -9.616 -4.975 13.205 1.00 0.00 C ATOM 927 C GLN A 63 -10.454 -4.338 12.101 1.00 0.00 C ATOM 928 O GLN A 63 -11.280 -5.001 11.476 1.00 0.00 O ATOM 929 CB GLN A 63 -10.372 -4.917 14.533 1.00 0.00 C ATOM 930 CG GLN A 63 -10.724 -3.504 14.972 1.00 0.00 C ATOM 931 CD GLN A 63 -10.891 -3.384 16.474 1.00 0.00 C ATOM 932 OE1 GLN A 63 -10.156 -4.003 17.244 1.00 0.00 O ATOM 933 NE2 GLN A 63 -11.862 -2.584 16.899 1.00 0.00 N ATOM 0 H GLN A 63 -8.277 -3.612 14.071 1.00 0.00 H new ATOM 0 HA GLN A 63 -9.435 -6.018 12.943 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -11.289 -5.500 14.445 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.767 -5.389 15.307 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.943 -2.820 14.641 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -11.647 -3.195 14.482 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -12.447 -2.090 16.225 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.022 -2.463 17.899 1.00 0.00 H new ATOM 942 N ASN A 64 -10.234 -3.048 11.868 1.00 0.00 N ATOM 943 CA ASN A 64 -10.970 -2.322 10.839 1.00 0.00 C ATOM 944 C ASN A 64 -10.313 -2.498 9.474 1.00 0.00 C ATOM 945 O ASN A 64 -9.177 -2.074 9.260 1.00 0.00 O ATOM 946 CB ASN A 64 -11.047 -0.835 11.193 1.00 0.00 C ATOM 947 CG ASN A 64 -11.357 -0.605 12.659 1.00 0.00 C ATOM 948 OD1 ASN A 64 -12.036 -1.411 13.296 1.00 0.00 O ATOM 949 ND2 ASN A 64 -10.860 0.500 13.203 1.00 0.00 N ATOM 0 H ASN A 64 -9.553 -2.485 12.377 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.979 -2.731 10.791 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.100 -0.356 10.945 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.814 -0.358 10.583 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.036 0.708 14.186 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.302 1.140 12.638 1.00 0.00 H new ATOM 956 N VAL A 65 -11.037 -3.125 8.552 1.00 0.00 N ATOM 957 CA VAL A 65 -10.526 -3.356 7.206 1.00 0.00 C ATOM 958 C VAL A 65 -11.068 -2.320 6.227 1.00 0.00 C ATOM 959 O VAL A 65 -10.318 -1.499 5.700 1.00 0.00 O ATOM 960 CB VAL A 65 -10.892 -4.764 6.700 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.511 -4.922 5.236 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.216 -5.828 7.553 1.00 0.00 C ATOM 0 H VAL A 65 -11.979 -3.482 8.713 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.441 -3.268 7.261 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.971 -4.893 6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.777 -5.923 4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.045 -4.183 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.437 -4.774 5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.485 -6.817 7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.134 -5.703 7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.544 -5.727 8.588 1.00 0.00 H new ATOM 972 N GLU A 66 -12.375 -2.365 5.990 1.00 0.00 N ATOM 973 CA GLU A 66 -13.017 -1.429 5.074 1.00 0.00 C ATOM 974 C GLU A 66 -12.590 0.005 5.373 1.00 0.00 C ATOM 975 O GLU A 66 -12.486 0.836 4.470 1.00 0.00 O ATOM 976 CB GLU A 66 -14.539 -1.550 5.170 1.00 0.00 C ATOM 977 CG GLU A 66 -15.285 -0.489 4.378 1.00 0.00 C ATOM 978 CD GLU A 66 -16.732 -0.350 4.809 1.00 0.00 C ATOM 979 OE1 GLU A 66 -17.584 -1.095 4.281 1.00 0.00 O ATOM 980 OE2 GLU A 66 -17.013 0.505 5.676 1.00 0.00 O ATOM 0 H GLU A 66 -13.010 -3.039 6.419 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.703 -1.679 4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.840 -2.535 4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.835 -1.485 6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.781 0.470 4.497 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.248 -0.739 3.318 1.00 0.00 H new ATOM 987 N LYS A 67 -12.343 0.289 6.648 1.00 0.00 N ATOM 988 CA LYS A 67 -11.927 1.621 7.068 1.00 0.00 C ATOM 989 C LYS A 67 -10.525 1.939 6.559 1.00 0.00 C ATOM 990 O LYS A 67 -10.352 2.764 5.662 1.00 0.00 O ATOM 991 CB LYS A 67 -11.963 1.731 8.594 1.00 0.00 C ATOM 992 CG LYS A 67 -11.393 3.036 9.124 1.00 0.00 C ATOM 993 CD LYS A 67 -12.409 4.163 9.040 1.00 0.00 C ATOM 994 CE LYS A 67 -13.475 4.034 10.117 1.00 0.00 C ATOM 995 NZ LYS A 67 -14.389 5.210 10.136 1.00 0.00 N ATOM 0 H LYS A 67 -12.424 -0.386 7.408 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.623 2.343 6.640 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.994 1.631 8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.404 0.899 9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.080 2.903 10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.503 3.304 8.554 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.900 5.121 9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.881 4.157 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.054 3.126 9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.997 3.930 11.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.101 5.084 10.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.840 6.073 10.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.865 5.295 9.215 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.526 1.279 7.136 1.00 0.00 N ATOM 1010 CA ASN A 68 -8.139 1.491 6.739 1.00 0.00 C ATOM 1011 C ASN A 68 -8.024 1.651 5.226 1.00 0.00 C ATOM 1012 O ASN A 68 -7.163 2.377 4.732 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.268 0.323 7.206 1.00 0.00 C ATOM 1014 CG ASN A 68 -6.855 0.456 8.659 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -5.704 0.773 8.962 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -7.794 0.213 9.566 1.00 0.00 N ATOM 0 H ASN A 68 -9.651 0.593 7.880 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.789 2.409 7.212 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.814 -0.611 7.070 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.377 0.265 6.581 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.575 0.286 10.559 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.735 -0.047 9.269 1.00 0.00 H new ATOM 1023 N ASN A 69 -8.900 0.968 4.496 1.00 0.00 N ATOM 1024 CA ASN A 69 -8.898 1.034 3.039 1.00 0.00 C ATOM 1025 C ASN A 69 -9.581 2.309 2.551 1.00 0.00 C ATOM 1026 O ASN A 69 -8.962 3.140 1.889 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.601 -0.191 2.451 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.738 -1.437 2.511 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -7.671 -1.497 1.898 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.196 -2.439 3.252 1.00 0.00 N ATOM 0 H ASN A 69 -9.620 0.362 4.890 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.861 1.046 2.702 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.530 -0.369 2.993 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.871 0.011 1.415 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.659 -3.302 3.331 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.085 -2.345 3.743 1.00 0.00 H new ATOM 1037 N GLN A 70 -10.859 2.454 2.885 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.625 3.626 2.481 1.00 0.00 C ATOM 1039 C GLN A 70 -10.856 4.909 2.780 1.00 0.00 C ATOM 1040 O GLN A 70 -10.922 5.877 2.021 1.00 0.00 O ATOM 1041 CB GLN A 70 -12.977 3.650 3.197 1.00 0.00 C ATOM 1042 CG GLN A 70 -13.947 4.675 2.632 1.00 0.00 C ATOM 1043 CD GLN A 70 -14.498 4.272 1.278 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -15.334 3.374 1.178 1.00 0.00 O ATOM 1045 NE2 GLN A 70 -14.033 4.937 0.227 1.00 0.00 N ATOM 0 H GLN A 70 -11.385 1.774 3.434 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.792 3.566 1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.430 2.660 3.134 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.815 3.860 4.254 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.773 4.812 3.330 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.442 5.637 2.543 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.340 5.674 0.356 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.369 4.710 -0.709 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.127 4.910 3.891 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.344 6.074 4.291 1.00 0.00 C ATOM 1056 C LEU A 71 -8.258 6.380 3.264 1.00 0.00 C ATOM 1057 O LEU A 71 -8.319 7.389 2.563 1.00 0.00 O ATOM 1058 CB LEU A 71 -8.712 5.841 5.664 1.00 0.00 C ATOM 1059 CG LEU A 71 -8.057 7.059 6.317 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -8.981 8.265 6.244 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.687 6.755 7.761 1.00 0.00 C ATOM 0 H LEU A 71 -10.062 4.118 4.530 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.016 6.930 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.482 5.463 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.960 5.057 5.568 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.144 7.293 5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.498 9.122 6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.196 8.496 5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.912 8.042 6.765 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.222 7.633 8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.586 6.495 8.320 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.987 5.920 7.789 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.267 5.499 3.179 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.170 5.672 2.235 1.00 0.00 C ATOM 1075 C ALA A 72 -6.688 6.072 0.858 1.00 0.00 C ATOM 1076 O ALA A 72 -6.214 7.039 0.262 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.348 4.395 2.141 1.00 0.00 C ATOM 0 H ALA A 72 -7.201 4.658 3.753 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.532 6.476 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.532 4.539 1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.938 4.153 3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.984 3.577 1.801 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.664 5.321 0.357 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.246 5.597 -0.951 1.00 0.00 C ATOM 1085 C PHE A 73 -8.704 7.049 -1.047 1.00 0.00 C ATOM 1086 O PHE A 73 -8.734 7.631 -2.132 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.426 4.660 -1.215 1.00 0.00 C ATOM 1088 CG PHE A 73 -9.015 3.244 -1.501 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -7.977 2.973 -2.378 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.666 2.183 -0.893 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -7.597 1.671 -2.643 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.290 0.879 -1.153 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.254 0.623 -2.029 1.00 0.00 C ATOM 0 H PHE A 73 -8.068 4.517 0.837 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.479 5.426 -1.706 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.088 4.670 -0.349 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.000 5.041 -2.060 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.459 3.789 -2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.477 2.377 -0.207 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.787 1.473 -3.330 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.806 0.061 -0.672 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.958 -0.395 -2.234 1.00 0.00 H new ATOM 1103 N ASP A 74 -9.061 7.628 0.094 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.517 9.012 0.140 1.00 0.00 C ATOM 1105 C ASP A 74 -8.342 9.965 0.339 1.00 0.00 C ATOM 1106 O ASP A 74 -8.105 10.853 -0.481 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.537 9.198 1.264 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.494 10.343 0.993 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -12.203 10.294 -0.033 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -11.534 11.287 1.809 1.00 0.00 O ATOM 0 H ASP A 74 -9.043 7.160 1.000 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.992 9.244 -0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.105 8.276 1.392 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.011 9.381 2.201 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.612 9.776 1.433 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.463 10.618 1.739 1.00 0.00 C ATOM 1117 C ILE A 75 -5.499 10.684 0.560 1.00 0.00 C ATOM 1118 O ILE A 75 -5.084 11.765 0.144 1.00 0.00 O ATOM 1119 CB ILE A 75 -5.705 10.108 2.979 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -6.660 9.969 4.166 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -4.558 11.046 3.322 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.400 11.245 4.499 1.00 0.00 C ATOM 0 H ILE A 75 -7.796 9.047 2.122 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.850 11.616 1.945 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.290 9.126 2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.385 9.184 3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.095 9.647 5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.032 10.672 4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.867 11.099 2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.952 12.041 3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.059 11.072 5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.683 12.027 4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.993 11.557 3.639 1.00 0.00 H new ATOM 1134 N ALA A 76 -5.149 9.519 0.023 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.238 9.444 -1.112 1.00 0.00 C ATOM 1136 C ALA A 76 -4.614 10.459 -2.186 1.00 0.00 C ATOM 1137 O ALA A 76 -3.908 11.445 -2.394 1.00 0.00 O ATOM 1138 CB ALA A 76 -4.231 8.037 -1.691 1.00 0.00 C ATOM 0 H ALA A 76 -5.483 8.615 0.356 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.235 9.684 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.546 7.996 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.906 7.331 -0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.236 7.775 -2.023 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.729 10.209 -2.865 1.00 0.00 N ATOM 1145 CA GLU A 77 -6.196 11.102 -3.919 1.00 0.00 C ATOM 1146 C GLU A 77 -6.405 12.515 -3.383 1.00 0.00 C ATOM 1147 O GLU A 77 -6.115 13.499 -4.063 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.501 10.576 -4.522 1.00 0.00 C ATOM 1149 CG GLU A 77 -7.860 11.219 -5.851 1.00 0.00 C ATOM 1150 CD GLU A 77 -9.345 11.149 -6.150 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -10.134 10.962 -5.201 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -9.718 11.282 -7.335 1.00 0.00 O ATOM 0 H GLU A 77 -6.325 9.397 -2.704 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.432 11.136 -4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.419 9.498 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.313 10.746 -3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.543 12.262 -5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.308 10.724 -6.651 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.911 12.608 -2.158 1.00 0.00 N ATOM 1160 CA LYS A 78 -7.158 13.899 -1.527 1.00 0.00 C ATOM 1161 C LYS A 78 -5.925 14.792 -1.614 1.00 0.00 C ATOM 1162 O LYS A 78 -6.014 15.951 -2.019 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.560 13.706 -0.063 1.00 0.00 C ATOM 1164 CG LYS A 78 -9.053 13.508 0.137 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.825 14.793 -0.113 1.00 0.00 C ATOM 1166 CE LYS A 78 -9.744 15.732 1.081 1.00 0.00 C ATOM 1167 NZ LYS A 78 -10.640 15.298 2.189 1.00 0.00 N ATOM 0 H LYS A 78 -7.158 11.804 -1.582 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.975 14.385 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.030 12.843 0.340 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.237 14.574 0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.411 12.730 -0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.242 13.161 1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.428 15.292 -0.997 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.868 14.557 -0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.716 15.775 1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.015 16.741 0.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.621 16.007 2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.612 15.200 1.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.314 14.383 2.561 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.775 14.245 -1.231 1.00 0.00 N ATOM 1182 CA GLU A 79 -3.524 14.993 -1.266 1.00 0.00 C ATOM 1183 C GLU A 79 -2.606 14.465 -2.365 1.00 0.00 C ATOM 1184 O GLU A 79 -2.300 15.171 -3.327 1.00 0.00 O ATOM 1185 CB GLU A 79 -2.817 14.912 0.088 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.619 15.514 1.230 1.00 0.00 C ATOM 1187 CD GLU A 79 -3.378 17.003 1.390 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -2.200 17.417 1.382 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -4.367 17.753 1.524 1.00 0.00 O ATOM 0 H GLU A 79 -4.684 13.287 -0.893 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.759 16.035 -1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.604 13.867 0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.858 15.425 0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.681 15.338 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.360 15.006 2.159 1.00 0.00 H new ATOM 1196 N LEU A 80 -2.168 13.221 -2.214 1.00 0.00 N ATOM 1197 CA LEU A 80 -1.283 12.597 -3.191 1.00 0.00 C ATOM 1198 C LEU A 80 -1.839 12.748 -4.604 1.00 0.00 C ATOM 1199 O LEU A 80 -1.103 13.042 -5.544 1.00 0.00 O ATOM 1200 CB LEU A 80 -1.090 11.115 -2.863 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.797 10.785 -1.399 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.540 9.296 -1.228 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.390 11.594 -0.897 1.00 0.00 C ATOM 0 H LEU A 80 -2.411 12.624 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.318 13.102 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.989 10.577 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.271 10.732 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.671 11.052 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.333 9.080 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.419 8.736 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.317 9.003 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.584 11.346 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.270 11.359 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.167 12.658 -0.982 1.00 0.00 H new ATOM 1215 N GLY A 81 -3.146 12.547 -4.744 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.780 12.667 -6.044 1.00 0.00 C ATOM 1217 C GLY A 81 -4.003 11.322 -6.707 1.00 0.00 C ATOM 1218 O GLY A 81 -4.753 11.218 -7.678 1.00 0.00 O ATOM 0 H GLY A 81 -3.777 12.303 -3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.737 13.177 -5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.161 13.289 -6.691 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.349 10.291 -6.183 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.480 8.946 -6.731 1.00 0.00 C ATOM 1224 C ILE A 82 -4.914 8.441 -6.613 1.00 0.00 C ATOM 1225 O ILE A 82 -5.323 7.943 -5.564 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.539 7.955 -6.022 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.083 8.399 -6.180 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -2.733 6.551 -6.576 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.116 7.618 -5.318 1.00 0.00 C ATOM 0 H ILE A 82 -2.724 10.361 -5.380 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.204 9.007 -7.784 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.783 7.942 -4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.791 8.295 -7.225 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.005 9.457 -5.931 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.061 5.862 -6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.764 6.236 -6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.513 6.547 -7.644 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.897 7.987 -5.482 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.382 7.742 -4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.165 6.562 -5.582 1.00 0.00 H new ATOM 1241 N SER A 83 -5.673 8.573 -7.696 1.00 0.00 N ATOM 1242 CA SER A 83 -7.063 8.131 -7.713 1.00 0.00 C ATOM 1243 C SER A 83 -7.163 6.639 -7.412 1.00 0.00 C ATOM 1244 O SER A 83 -6.436 5.817 -7.970 1.00 0.00 O ATOM 1245 CB SER A 83 -7.699 8.433 -9.072 1.00 0.00 C ATOM 1246 OG SER A 83 -7.040 7.730 -10.111 1.00 0.00 O ATOM 0 H SER A 83 -5.349 8.982 -8.573 1.00 0.00 H new ATOM 0 HA SER A 83 -7.602 8.676 -6.938 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.753 8.156 -9.053 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.654 9.504 -9.268 1.00 0.00 H new ATOM 0 HG SER A 83 -6.578 6.951 -9.737 1.00 0.00 H new ATOM 1252 N PRO A 84 -8.086 6.280 -6.507 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.305 4.886 -6.110 1.00 0.00 C ATOM 1254 C PRO A 84 -8.933 4.057 -7.226 1.00 0.00 C ATOM 1255 O PRO A 84 -9.637 4.589 -8.085 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.264 5.001 -4.924 1.00 0.00 C ATOM 1257 CG PRO A 84 -9.978 6.291 -5.137 1.00 0.00 C ATOM 1258 CD PRO A 84 -8.987 7.207 -5.802 1.00 0.00 C ATOM 0 HA PRO A 84 -7.370 4.379 -5.871 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.961 4.163 -4.896 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.724 4.999 -3.977 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.860 6.150 -5.762 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.321 6.708 -4.190 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.476 7.895 -6.492 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.449 7.814 -5.074 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.676 2.754 -7.206 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.218 1.853 -8.215 1.00 0.00 C ATOM 1268 C ILE A 85 -10.480 1.160 -7.711 1.00 0.00 C ATOM 1269 O ILE A 85 -11.310 0.711 -8.501 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.189 0.784 -8.627 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -7.699 0.015 -7.398 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -7.019 1.428 -9.356 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -7.107 -1.337 -7.727 1.00 0.00 C ATOM 0 H ILE A 85 -8.096 2.298 -6.502 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.463 2.463 -9.084 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.671 0.080 -9.305 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.950 0.614 -6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.532 -0.120 -6.708 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.300 0.660 -9.641 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.382 1.935 -10.250 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.535 2.152 -8.700 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.781 -1.825 -6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.860 -1.954 -8.218 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.253 -1.208 -8.392 1.00 0.00 H new ATOM 1285 N MET A 86 -10.618 1.080 -6.392 1.00 0.00 N ATOM 1286 CA MET A 86 -11.781 0.445 -5.783 1.00 0.00 C ATOM 1287 C MET A 86 -12.171 1.150 -4.488 1.00 0.00 C ATOM 1288 O MET A 86 -11.419 1.975 -3.968 1.00 0.00 O ATOM 1289 CB MET A 86 -11.496 -1.033 -5.507 1.00 0.00 C ATOM 1290 CG MET A 86 -11.087 -1.815 -6.744 1.00 0.00 C ATOM 1291 SD MET A 86 -10.763 -3.553 -6.392 1.00 0.00 S ATOM 1292 CE MET A 86 -9.187 -3.440 -5.548 1.00 0.00 C ATOM 0 H MET A 86 -9.939 1.447 -5.725 1.00 0.00 H new ATOM 0 HA MET A 86 -12.613 0.523 -6.482 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.705 -1.109 -4.761 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.386 -1.491 -5.075 1.00 0.00 H new ATOM 0 HG2 MET A 86 -11.876 -1.741 -7.493 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.194 -1.363 -7.176 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.500 -4.180 -5.959 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.771 -2.442 -5.687 1.00 0.00 H new ATOM 0 HE3 MET A 86 -9.330 -3.629 -4.484 1.00 0.00 H new ATOM 1302 N THR A 87 -13.351 0.821 -3.972 1.00 0.00 N ATOM 1303 CA THR A 87 -13.840 1.425 -2.739 1.00 0.00 C ATOM 1304 C THR A 87 -13.557 0.529 -1.538 1.00 0.00 C ATOM 1305 O THR A 87 -13.554 -0.696 -1.652 1.00 0.00 O ATOM 1306 CB THR A 87 -15.354 1.703 -2.812 1.00 0.00 C ATOM 1307 OG1 THR A 87 -16.050 0.521 -3.224 1.00 0.00 O ATOM 1308 CG2 THR A 87 -15.650 2.836 -3.782 1.00 0.00 C ATOM 0 H THR A 87 -13.986 0.140 -4.389 1.00 0.00 H new ATOM 0 HA THR A 87 -13.310 2.369 -2.617 1.00 0.00 H new ATOM 0 HB THR A 87 -15.695 1.997 -1.820 1.00 0.00 H new ATOM 0 HG1 THR A 87 -16.984 0.743 -3.420 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.725 3.014 -3.817 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.143 3.742 -3.449 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.295 2.566 -4.776 1.00 0.00 H new ATOM 1316 N GLY A 88 -13.319 1.149 -0.386 1.00 0.00 N ATOM 1317 CA GLY A 88 -13.038 0.392 0.820 1.00 0.00 C ATOM 1318 C GLY A 88 -13.966 -0.794 0.988 1.00 0.00 C ATOM 1319 O GLY A 88 -13.519 -1.909 1.258 1.00 0.00 O ATOM 0 H GLY A 88 -13.316 2.162 -0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.006 0.041 0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -13.130 1.047 1.686 1.00 0.00 H new ATOM 1323 N LYS A 89 -15.264 -0.556 0.831 1.00 0.00 N ATOM 1324 CA LYS A 89 -16.259 -1.612 0.968 1.00 0.00 C ATOM 1325 C LYS A 89 -16.056 -2.692 -0.091 1.00 0.00 C ATOM 1326 O LYS A 89 -16.173 -3.883 0.194 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.670 -1.031 0.854 1.00 0.00 C ATOM 1328 CG LYS A 89 -18.732 -1.870 1.543 1.00 0.00 C ATOM 1329 CD LYS A 89 -19.138 -3.062 0.693 1.00 0.00 C ATOM 1330 CE LYS A 89 -20.466 -3.647 1.152 1.00 0.00 C ATOM 1331 NZ LYS A 89 -21.624 -2.870 0.629 1.00 0.00 N ATOM 0 H LYS A 89 -15.651 0.361 0.608 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.138 -2.065 1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.677 -0.029 1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.927 -0.929 -0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.355 -2.219 2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -19.607 -1.254 1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.215 -2.757 -0.351 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.364 -3.828 0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.542 -4.682 0.818 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.500 -3.661 2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.510 -3.300 0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.565 -1.889 0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -21.606 -2.878 -0.411 1.00 0.00 H new ATOM 1345 N GLU A 90 -15.749 -2.266 -1.313 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.529 -3.197 -2.413 1.00 0.00 C ATOM 1347 C GLU A 90 -14.286 -4.047 -2.166 1.00 0.00 C ATOM 1348 O GLU A 90 -14.160 -5.150 -2.696 1.00 0.00 O ATOM 1349 CB GLU A 90 -15.387 -2.437 -3.733 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.709 -1.943 -4.296 1.00 0.00 C ATOM 1351 CD GLU A 90 -17.609 -3.075 -4.751 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -17.460 -3.523 -5.907 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -18.463 -3.513 -3.952 1.00 0.00 O ATOM 0 H GLU A 90 -15.647 -1.283 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.394 -3.858 -2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.725 -1.585 -3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.909 -3.086 -4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.226 -1.356 -3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.515 -1.277 -5.137 1.00 0.00 H new ATOM 1360 N MET A 91 -13.370 -3.523 -1.358 1.00 0.00 N ATOM 1361 CA MET A 91 -12.136 -4.233 -1.040 1.00 0.00 C ATOM 1362 C MET A 91 -12.384 -5.308 0.013 1.00 0.00 C ATOM 1363 O MET A 91 -11.778 -6.379 -0.025 1.00 0.00 O ATOM 1364 CB MET A 91 -11.071 -3.253 -0.544 1.00 0.00 C ATOM 1365 CG MET A 91 -9.650 -3.769 -0.699 1.00 0.00 C ATOM 1366 SD MET A 91 -8.424 -2.447 -0.678 1.00 0.00 S ATOM 1367 CE MET A 91 -6.912 -3.391 -0.496 1.00 0.00 C ATOM 0 H MET A 91 -13.459 -2.610 -0.912 1.00 0.00 H new ATOM 0 HA MET A 91 -11.779 -4.715 -1.950 1.00 0.00 H new ATOM 0 HB2 MET A 91 -11.170 -2.315 -1.090 1.00 0.00 H new ATOM 0 HB3 MET A 91 -11.255 -3.031 0.507 1.00 0.00 H new ATOM 0 HG2 MET A 91 -9.434 -4.473 0.105 1.00 0.00 H new ATOM 0 HG3 MET A 91 -9.568 -4.320 -1.636 1.00 0.00 H new ATOM 0 HE1 MET A 91 -6.068 -2.798 -0.849 1.00 0.00 H new ATOM 0 HE2 MET A 91 -6.764 -3.643 0.554 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.982 -4.307 -1.082 1.00 0.00 H new ATOM 1377 N ALA A 92 -13.277 -5.016 0.953 1.00 0.00 N ATOM 1378 CA ALA A 92 -13.605 -5.958 2.015 1.00 0.00 C ATOM 1379 C ALA A 92 -14.611 -6.999 1.534 1.00 0.00 C ATOM 1380 O ALA A 92 -14.727 -8.078 2.114 1.00 0.00 O ATOM 1381 CB ALA A 92 -14.149 -5.218 3.228 1.00 0.00 C ATOM 0 H ALA A 92 -13.786 -4.134 1.000 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.691 -6.478 2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -14.390 -5.934 4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.398 -4.517 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -15.049 -4.671 2.947 1.00 0.00 H new ATOM 1387 N SER A 93 -15.336 -6.667 0.471 1.00 0.00 N ATOM 1388 CA SER A 93 -16.335 -7.572 -0.085 1.00 0.00 C ATOM 1389 C SER A 93 -15.683 -8.610 -0.993 1.00 0.00 C ATOM 1390 O SER A 93 -16.000 -9.798 -0.926 1.00 0.00 O ATOM 1391 CB SER A 93 -17.388 -6.784 -0.867 1.00 0.00 C ATOM 1392 OG SER A 93 -16.824 -6.184 -2.020 1.00 0.00 O ATOM 0 H SER A 93 -15.250 -5.778 -0.022 1.00 0.00 H new ATOM 0 HA SER A 93 -16.819 -8.091 0.742 1.00 0.00 H new ATOM 0 HB2 SER A 93 -18.201 -7.449 -1.160 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.820 -6.015 -0.227 1.00 0.00 H new ATOM 0 HG SER A 93 -17.540 -5.824 -2.585 1.00 0.00 H new ATOM 1398 N VAL A 94 -14.768 -8.153 -1.843 1.00 0.00 N ATOM 1399 CA VAL A 94 -14.069 -9.041 -2.764 1.00 0.00 C ATOM 1400 C VAL A 94 -13.242 -10.075 -2.010 1.00 0.00 C ATOM 1401 O VAL A 94 -12.736 -9.807 -0.921 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.145 -8.252 -3.711 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -11.827 -7.928 -3.024 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -12.908 -9.032 -4.996 1.00 0.00 C ATOM 0 H VAL A 94 -14.494 -7.173 -1.912 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.832 -9.550 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.634 -7.312 -3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.187 -7.371 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.018 -7.327 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.330 -8.854 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.253 -8.460 -5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.440 -9.988 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.861 -9.208 -5.496 1.00 0.00 H new ATOM 1414 N GLY A 95 -13.108 -11.261 -2.597 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.340 -12.318 -1.966 1.00 0.00 C ATOM 1416 C GLY A 95 -10.850 -12.173 -2.201 1.00 0.00 C ATOM 1417 O GLY A 95 -10.041 -12.579 -1.367 1.00 0.00 O ATOM 0 H GLY A 95 -13.518 -11.508 -3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.537 -12.316 -0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.673 -13.283 -2.349 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.486 -11.593 -3.341 1.00 0.00 N ATOM 1422 CA GLU A 96 -9.082 -11.398 -3.683 1.00 0.00 C ATOM 1423 C GLU A 96 -8.942 -10.508 -4.916 1.00 0.00 C ATOM 1424 O GLU A 96 -9.528 -10.765 -5.967 1.00 0.00 O ATOM 1425 CB GLU A 96 -8.403 -12.746 -3.934 1.00 0.00 C ATOM 1426 CG GLU A 96 -6.887 -12.688 -3.852 1.00 0.00 C ATOM 1427 CD GLU A 96 -6.229 -13.975 -4.311 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -6.877 -14.739 -5.056 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -5.066 -14.217 -3.926 1.00 0.00 O ATOM 0 H GLU A 96 -11.143 -11.251 -4.042 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.594 -10.905 -2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.770 -13.470 -3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.692 -13.111 -4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.525 -11.861 -4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.590 -12.479 -2.824 1.00 0.00 H new ATOM 1436 N PRO A 97 -8.146 -9.437 -4.784 1.00 0.00 N ATOM 1437 CA PRO A 97 -7.909 -8.487 -5.875 1.00 0.00 C ATOM 1438 C PRO A 97 -7.073 -9.092 -6.998 1.00 0.00 C ATOM 1439 O PRO A 97 -6.492 -10.166 -6.843 1.00 0.00 O ATOM 1440 CB PRO A 97 -7.147 -7.347 -5.195 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.485 -7.982 -4.020 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.416 -9.069 -3.559 1.00 0.00 C ATOM 0 HA PRO A 97 -8.838 -8.172 -6.350 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.415 -6.902 -5.869 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.822 -6.549 -4.886 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.512 -8.391 -4.294 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.313 -7.253 -3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.870 -9.917 -3.147 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -8.091 -8.716 -2.780 1.00 0.00 H new ATOM 1450 N ASP A 98 -7.017 -8.395 -8.128 1.00 0.00 N ATOM 1451 CA ASP A 98 -6.250 -8.863 -9.277 1.00 0.00 C ATOM 1452 C ASP A 98 -4.800 -8.397 -9.188 1.00 0.00 C ATOM 1453 O ASP A 98 -4.525 -7.201 -9.093 1.00 0.00 O ATOM 1454 CB ASP A 98 -6.881 -8.362 -10.576 1.00 0.00 C ATOM 1455 CG ASP A 98 -6.313 -9.052 -11.800 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -5.592 -10.058 -11.633 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -6.589 -8.587 -12.926 1.00 0.00 O ATOM 0 H ASP A 98 -7.493 -7.505 -8.273 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.263 -9.953 -9.273 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.958 -8.523 -10.539 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.723 -7.287 -10.662 1.00 0.00 H new ATOM 1462 N LYS A 99 -3.875 -9.350 -9.219 1.00 0.00 N ATOM 1463 CA LYS A 99 -2.452 -9.039 -9.143 1.00 0.00 C ATOM 1464 C LYS A 99 -2.126 -7.783 -9.944 1.00 0.00 C ATOM 1465 O LYS A 99 -1.630 -6.797 -9.397 1.00 0.00 O ATOM 1466 CB LYS A 99 -1.623 -10.217 -9.661 1.00 0.00 C ATOM 1467 CG LYS A 99 -0.135 -10.077 -9.395 1.00 0.00 C ATOM 1468 CD LYS A 99 0.173 -10.124 -7.907 1.00 0.00 C ATOM 1469 CE LYS A 99 1.601 -10.578 -7.647 1.00 0.00 C ATOM 1470 NZ LYS A 99 1.819 -11.990 -8.068 1.00 0.00 N ATOM 0 H LYS A 99 -4.085 -10.345 -9.296 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.201 -8.857 -8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.982 -11.135 -9.196 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.784 -10.319 -10.734 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.403 -10.876 -9.904 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.223 -9.136 -9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.019 -9.137 -7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.521 -10.803 -7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.292 -9.928 -8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.827 -10.476 -6.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.617 -12.392 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.961 -12.546 -7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.031 -12.020 -9.086 1.00 0.00 H new ATOM 1484 N LEU A 100 -2.410 -7.824 -11.241 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.148 -6.687 -12.117 1.00 0.00 C ATOM 1486 C LEU A 100 -2.753 -5.409 -11.546 1.00 0.00 C ATOM 1487 O LEU A 100 -2.036 -4.534 -11.061 1.00 0.00 O ATOM 1488 CB LEU A 100 -2.714 -6.954 -13.513 1.00 0.00 C ATOM 1489 CG LEU A 100 -2.079 -8.111 -14.285 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -3.004 -8.581 -15.397 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -0.729 -7.697 -14.851 1.00 0.00 C ATOM 0 H LEU A 100 -2.821 -8.631 -11.709 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.068 -6.555 -12.188 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.782 -7.149 -13.419 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.607 -6.046 -14.106 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.922 -8.941 -13.596 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.536 -9.405 -15.936 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.947 -8.918 -14.967 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.193 -7.758 -16.086 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.292 -8.533 -15.397 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.861 -6.852 -15.526 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.065 -7.409 -14.036 1.00 0.00 H new ATOM 1503 N SER A 101 -4.077 -5.308 -11.607 1.00 0.00 N ATOM 1504 CA SER A 101 -4.779 -4.136 -11.097 1.00 0.00 C ATOM 1505 C SER A 101 -4.104 -3.605 -9.836 1.00 0.00 C ATOM 1506 O SER A 101 -3.912 -2.399 -9.682 1.00 0.00 O ATOM 1507 CB SER A 101 -6.240 -4.478 -10.802 1.00 0.00 C ATOM 1508 OG SER A 101 -6.963 -4.703 -12.000 1.00 0.00 O ATOM 0 H SER A 101 -4.685 -6.024 -12.005 1.00 0.00 H new ATOM 0 HA SER A 101 -4.743 -3.360 -11.862 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.289 -5.366 -10.172 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.701 -3.664 -10.242 1.00 0.00 H new ATOM 0 HG SER A 101 -7.894 -4.922 -11.784 1.00 0.00 H new ATOM 1514 N MET A 102 -3.748 -4.515 -8.935 1.00 0.00 N ATOM 1515 CA MET A 102 -3.094 -4.139 -7.687 1.00 0.00 C ATOM 1516 C MET A 102 -1.737 -3.495 -7.957 1.00 0.00 C ATOM 1517 O MET A 102 -1.503 -2.343 -7.591 1.00 0.00 O ATOM 1518 CB MET A 102 -2.919 -5.365 -6.789 1.00 0.00 C ATOM 1519 CG MET A 102 -4.210 -5.826 -6.132 1.00 0.00 C ATOM 1520 SD MET A 102 -4.987 -4.533 -5.143 1.00 0.00 S ATOM 1521 CE MET A 102 -3.738 -4.273 -3.886 1.00 0.00 C ATOM 0 H MET A 102 -3.901 -5.517 -9.046 1.00 0.00 H new ATOM 0 HA MET A 102 -3.727 -3.412 -7.179 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.510 -6.184 -7.381 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.188 -5.136 -6.014 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.907 -6.157 -6.902 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.003 -6.688 -5.498 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.167 -3.709 -3.058 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.382 -5.237 -3.522 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.904 -3.715 -4.312 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.848 -4.245 -8.599 1.00 0.00 N ATOM 1532 CA VAL A 103 0.485 -3.746 -8.918 1.00 0.00 C ATOM 1533 C VAL A 103 0.414 -2.374 -9.578 1.00 0.00 C ATOM 1534 O VAL A 103 0.994 -1.407 -9.086 1.00 0.00 O ATOM 1535 CB VAL A 103 1.238 -4.714 -9.850 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.461 -4.036 -10.447 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.631 -5.978 -9.099 1.00 0.00 C ATOM 0 H VAL A 103 -1.026 -5.200 -8.909 1.00 0.00 H new ATOM 0 HA VAL A 103 1.027 -3.665 -7.976 1.00 0.00 H new ATOM 0 HB VAL A 103 0.574 -4.996 -10.667 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.981 -4.735 -11.103 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.149 -3.163 -11.021 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.131 -3.723 -9.646 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.162 -6.651 -9.772 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.278 -5.717 -8.262 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.735 -6.472 -8.725 1.00 0.00 H new ATOM 1547 N MET A 104 -0.301 -2.297 -10.696 1.00 0.00 N ATOM 1548 CA MET A 104 -0.448 -1.042 -11.423 1.00 0.00 C ATOM 1549 C MET A 104 -0.763 0.106 -10.469 1.00 0.00 C ATOM 1550 O MET A 104 -0.108 1.148 -10.498 1.00 0.00 O ATOM 1551 CB MET A 104 -1.553 -1.164 -12.475 1.00 0.00 C ATOM 1552 CG MET A 104 -1.387 -2.363 -13.394 1.00 0.00 C ATOM 1553 SD MET A 104 -2.628 -2.413 -14.701 1.00 0.00 S ATOM 1554 CE MET A 104 -2.580 -0.719 -15.280 1.00 0.00 C ATOM 0 H MET A 104 -0.787 -3.088 -11.118 1.00 0.00 H new ATOM 0 HA MET A 104 0.497 -0.827 -11.922 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.517 -1.233 -11.971 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.573 -0.255 -13.077 1.00 0.00 H new ATOM 0 HG2 MET A 104 -0.394 -2.338 -13.842 1.00 0.00 H new ATOM 0 HG3 MET A 104 -1.448 -3.278 -12.805 1.00 0.00 H new ATOM 0 HE1 MET A 104 -2.987 -0.668 -16.290 1.00 0.00 H new ATOM 0 HE2 MET A 104 -3.175 -0.091 -14.617 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.549 -0.366 -15.286 1.00 0.00 H new ATOM 1564 N TYR A 105 -1.769 -0.092 -9.624 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.173 0.927 -8.663 1.00 0.00 C ATOM 1566 C TYR A 105 -1.046 1.223 -7.678 1.00 0.00 C ATOM 1567 O TYR A 105 -0.559 2.351 -7.594 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.423 0.478 -7.905 1.00 0.00 C ATOM 1569 CG TYR A 105 -3.893 1.473 -6.868 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.401 2.710 -7.244 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -3.830 1.175 -5.513 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -4.830 3.622 -6.300 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -4.259 2.080 -4.562 1.00 0.00 C ATOM 1574 CZ TYR A 105 -4.758 3.303 -4.960 1.00 0.00 C ATOM 1575 OH TYR A 105 -5.186 4.208 -4.017 1.00 0.00 O ATOM 0 H TYR A 105 -2.320 -0.950 -9.585 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.400 1.840 -9.214 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.228 0.303 -8.619 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.218 -0.474 -7.416 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.461 2.963 -8.292 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -3.439 0.219 -5.198 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.220 4.580 -6.609 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -4.204 1.832 -3.512 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.412 4.577 -3.542 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.636 0.201 -6.935 1.00 0.00 N ATOM 1586 CA LEU A 106 0.435 0.349 -5.955 1.00 0.00 C ATOM 1587 C LEU A 106 1.597 1.149 -6.534 1.00 0.00 C ATOM 1588 O LEU A 106 2.140 2.040 -5.880 1.00 0.00 O ATOM 1589 CB LEU A 106 0.925 -1.025 -5.494 1.00 0.00 C ATOM 1590 CG LEU A 106 0.079 -1.715 -4.423 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.548 -3.146 -4.213 1.00 0.00 C ATOM 1592 CD2 LEU A 106 0.134 -0.936 -3.117 1.00 0.00 C ATOM 0 H LEU A 106 -1.028 -0.739 -6.992 1.00 0.00 H new ATOM 0 HA LEU A 106 0.037 0.892 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 106 0.979 -1.680 -6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.940 -0.917 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.956 -1.740 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.065 -3.621 -3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.456 -3.700 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.590 -3.144 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.474 -1.441 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.166 -0.879 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.251 0.071 -3.278 1.00 0.00 H new ATOM 1604 N THR A 107 1.974 0.826 -7.768 1.00 0.00 N ATOM 1605 CA THR A 107 3.071 1.514 -8.437 1.00 0.00 C ATOM 1606 C THR A 107 2.984 3.021 -8.226 1.00 0.00 C ATOM 1607 O THR A 107 3.963 3.659 -7.840 1.00 0.00 O ATOM 1608 CB THR A 107 3.081 1.218 -9.948 1.00 0.00 C ATOM 1609 OG1 THR A 107 3.223 -0.190 -10.171 1.00 0.00 O ATOM 1610 CG2 THR A 107 4.214 1.963 -10.638 1.00 0.00 C ATOM 0 H THR A 107 1.535 0.092 -8.324 1.00 0.00 H new ATOM 0 HA THR A 107 3.995 1.141 -7.995 1.00 0.00 H new ATOM 0 HB THR A 107 2.135 1.558 -10.369 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.390 -0.645 -9.929 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.201 1.738 -11.705 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.087 3.036 -10.492 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.168 1.650 -10.213 1.00 0.00 H new ATOM 1618 N GLN A 108 1.807 3.583 -8.482 1.00 0.00 N ATOM 1619 CA GLN A 108 1.595 5.016 -8.319 1.00 0.00 C ATOM 1620 C GLN A 108 2.283 5.530 -7.059 1.00 0.00 C ATOM 1621 O GLN A 108 3.079 6.468 -7.112 1.00 0.00 O ATOM 1622 CB GLN A 108 0.098 5.328 -8.260 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.645 4.987 -9.542 1.00 0.00 C ATOM 1624 CD GLN A 108 -2.034 5.593 -9.590 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -2.198 6.774 -9.897 1.00 0.00 O ATOM 1626 NE2 GLN A 108 -3.043 4.785 -9.286 1.00 0.00 N ATOM 0 H GLN A 108 0.987 3.068 -8.803 1.00 0.00 H new ATOM 0 HA GLN A 108 2.031 5.522 -9.180 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.348 4.775 -7.433 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -0.036 6.388 -8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.069 5.341 -10.397 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.722 3.904 -9.636 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -2.861 3.813 -9.037 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -4.000 5.137 -9.301 1.00 0.00 H new ATOM 1635 N PHE A 109 1.971 4.910 -5.926 1.00 0.00 N ATOM 1636 CA PHE A 109 2.558 5.305 -4.651 1.00 0.00 C ATOM 1637 C PHE A 109 4.078 5.173 -4.688 1.00 0.00 C ATOM 1638 O PHE A 109 4.802 6.123 -4.389 1.00 0.00 O ATOM 1639 CB PHE A 109 1.989 4.451 -3.516 1.00 0.00 C ATOM 1640 CG PHE A 109 0.549 4.747 -3.207 1.00 0.00 C ATOM 1641 CD1 PHE A 109 0.210 5.766 -2.332 1.00 0.00 C ATOM 1642 CD2 PHE A 109 -0.465 4.006 -3.792 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -1.114 6.042 -2.046 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -1.791 4.277 -3.510 1.00 0.00 C ATOM 1645 CZ PHE A 109 -2.115 5.296 -2.635 1.00 0.00 C ATOM 0 H PHE A 109 1.315 4.132 -5.865 1.00 0.00 H new ATOM 0 HA PHE A 109 2.305 6.350 -4.472 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.087 3.398 -3.780 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.585 4.611 -2.618 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.989 6.352 -1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -0.217 3.208 -4.476 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.365 6.840 -1.363 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.573 3.693 -3.973 1.00 0.00 H new ATOM 0 HZ PHE A 109 -3.150 5.509 -2.412 1.00 0.00 H new ATOM 1655 N TYR A 110 4.554 3.989 -5.057 1.00 0.00 N ATOM 1656 CA TYR A 110 5.987 3.731 -5.131 1.00 0.00 C ATOM 1657 C TYR A 110 6.691 4.798 -5.963 1.00 0.00 C ATOM 1658 O TYR A 110 7.530 5.542 -5.457 1.00 0.00 O ATOM 1659 CB TYR A 110 6.247 2.348 -5.730 1.00 0.00 C ATOM 1660 CG TYR A 110 7.570 2.241 -6.455 1.00 0.00 C ATOM 1661 CD1 TYR A 110 7.668 2.538 -7.809 1.00 0.00 C ATOM 1662 CD2 TYR A 110 8.721 1.842 -5.787 1.00 0.00 C ATOM 1663 CE1 TYR A 110 8.875 2.441 -8.476 1.00 0.00 C ATOM 1664 CE2 TYR A 110 9.931 1.743 -6.445 1.00 0.00 C ATOM 1665 CZ TYR A 110 10.003 2.044 -7.789 1.00 0.00 C ATOM 1666 OH TYR A 110 11.207 1.946 -8.449 1.00 0.00 O ATOM 0 H TYR A 110 3.968 3.193 -5.309 1.00 0.00 H new ATOM 0 HA TYR A 110 6.388 3.763 -4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.218 1.605 -4.933 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.442 2.104 -6.423 1.00 0.00 H new ATOM 0 HD1 TYR A 110 6.786 2.850 -8.349 1.00 0.00 H new ATOM 0 HD2 TYR A 110 8.668 1.605 -4.735 1.00 0.00 H new ATOM 0 HE1 TYR A 110 8.934 2.675 -9.529 1.00 0.00 H new ATOM 0 HE2 TYR A 110 10.816 1.432 -5.910 1.00 0.00 H new ATOM 0 HH TYR A 110 11.901 1.655 -7.822 1.00 0.00 H new ATOM 1676 N GLU A 111 6.341 4.867 -7.244 1.00 0.00 N ATOM 1677 CA GLU A 111 6.939 5.843 -8.147 1.00 0.00 C ATOM 1678 C GLU A 111 7.069 7.204 -7.469 1.00 0.00 C ATOM 1679 O GLU A 111 8.055 7.914 -7.663 1.00 0.00 O ATOM 1680 CB GLU A 111 6.101 5.973 -9.421 1.00 0.00 C ATOM 1681 CG GLU A 111 6.438 4.938 -10.480 1.00 0.00 C ATOM 1682 CD GLU A 111 7.733 5.247 -11.207 1.00 0.00 C ATOM 1683 OE1 GLU A 111 8.484 6.124 -10.733 1.00 0.00 O ATOM 1684 OE2 GLU A 111 7.994 4.610 -12.249 1.00 0.00 O ATOM 0 H GLU A 111 5.647 4.259 -7.679 1.00 0.00 H new ATOM 0 HA GLU A 111 7.936 5.492 -8.411 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.046 5.885 -9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.244 6.969 -9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.514 3.956 -10.012 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.624 4.885 -11.203 1.00 0.00 H new ATOM 1691 N MET A 112 6.066 7.560 -6.673 1.00 0.00 N ATOM 1692 CA MET A 112 6.068 8.835 -5.966 1.00 0.00 C ATOM 1693 C MET A 112 7.110 8.836 -4.851 1.00 0.00 C ATOM 1694 O MET A 112 7.883 9.785 -4.712 1.00 0.00 O ATOM 1695 CB MET A 112 4.683 9.122 -5.384 1.00 0.00 C ATOM 1696 CG MET A 112 4.542 10.524 -4.813 1.00 0.00 C ATOM 1697 SD MET A 112 2.876 10.865 -4.213 1.00 0.00 S ATOM 1698 CE MET A 112 2.157 11.662 -5.646 1.00 0.00 C ATOM 0 H MET A 112 5.242 6.984 -6.502 1.00 0.00 H new ATOM 0 HA MET A 112 6.324 9.618 -6.680 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.934 8.979 -6.163 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.470 8.396 -4.599 1.00 0.00 H new ATOM 0 HG2 MET A 112 5.252 10.652 -3.996 1.00 0.00 H new ATOM 0 HG3 MET A 112 4.804 11.253 -5.580 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.071 11.662 -5.556 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.516 12.689 -5.709 1.00 0.00 H new ATOM 0 HE3 MET A 112 2.446 11.121 -6.547 1.00 0.00 H new ATOM 1708 N PHE A 113 7.126 7.769 -4.060 1.00 0.00 N ATOM 1709 CA PHE A 113 8.072 7.648 -2.957 1.00 0.00 C ATOM 1710 C PHE A 113 9.190 6.669 -3.305 1.00 0.00 C ATOM 1711 O PHE A 113 9.702 5.960 -2.438 1.00 0.00 O ATOM 1712 CB PHE A 113 7.352 7.188 -1.688 1.00 0.00 C ATOM 1713 CG PHE A 113 6.128 7.997 -1.366 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.172 9.382 -1.388 1.00 0.00 C ATOM 1715 CD2 PHE A 113 4.935 7.373 -1.042 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.047 10.129 -1.092 1.00 0.00 C ATOM 1717 CE2 PHE A 113 3.807 8.115 -0.745 1.00 0.00 C ATOM 1718 CZ PHE A 113 3.863 9.494 -0.771 1.00 0.00 C ATOM 0 H PHE A 113 6.494 6.975 -4.162 1.00 0.00 H new ATOM 0 HA PHE A 113 8.514 8.629 -2.780 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.067 6.142 -1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.044 7.241 -0.848 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.095 9.883 -1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 113 4.885 6.294 -1.021 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.094 11.208 -1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 113 2.883 7.616 -0.493 1.00 0.00 H new ATOM 0 HZ PHE A 113 2.983 10.076 -0.541 1.00 0.00 H new ATOM 1728 N LYS A 114 9.564 6.636 -4.579 1.00 0.00 N ATOM 1729 CA LYS A 114 10.622 5.746 -5.044 1.00 0.00 C ATOM 1730 C LYS A 114 11.992 6.258 -4.612 1.00 0.00 C ATOM 1731 O LYS A 114 12.821 5.496 -4.115 1.00 0.00 O ATOM 1732 CB LYS A 114 10.571 5.613 -6.567 1.00 0.00 C ATOM 1733 CG LYS A 114 10.984 6.876 -7.303 1.00 0.00 C ATOM 1734 CD LYS A 114 10.741 6.756 -8.798 1.00 0.00 C ATOM 1735 CE LYS A 114 10.467 8.112 -9.429 1.00 0.00 C ATOM 1736 NZ LYS A 114 10.863 8.147 -10.864 1.00 0.00 N ATOM 0 H LYS A 114 9.150 7.216 -5.309 1.00 0.00 H new ATOM 0 HA LYS A 114 10.463 4.766 -4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 114 11.222 4.795 -6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.558 5.343 -6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 114 10.426 7.726 -6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 114 12.040 7.076 -7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.610 6.301 -9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.895 6.092 -8.978 1.00 0.00 H new ATOM 0 HE2 LYS A 114 9.406 8.346 -9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.011 8.883 -8.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 10.772 9.118 -11.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.850 7.833 -10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.244 7.514 -11.410 1.00 0.00 H new