USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 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 :FLIP amide:sc= -0.789 F(o=-1.8,f=-0.94) USER MOD Set 1.2: A 100 MET CE :methyl -173:sc= -0.152 (180deg=-0.445) USER MOD Set 2.1: A 47 CYS SG : rot -3:sc= -0.681 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.318 X(o=-1,f=-0.9) USER MOD Set 3.1: A 30 HIS : no HD1:sc= -0.209 X(o=-1.7,f=-1.9) USER MOD Set 3.2: A 37 CYS SG : rot 180:sc= -1.51 USER MOD Set 4.1: A 21 THR OG1 : rot 72:sc= 2.18 USER MOD Set 4.2: A 41 SER OG : rot -170:sc= 1.21 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 72:sc= -0.77 USER MOD Single : A 19 MET CE :methyl 180:sc= -1.45 (180deg=-1.45) USER MOD Single : A 25 GLN : amide:sc= -0.752 K(o=-0.75,f=-2.3!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.041 K(o=-0.041,f=-1.6) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.848 F(o=-3.7!,f=-0.85) USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00615 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 58:sc= 0.332 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot -130:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.811 K(o=-0.81,f=-2.7) USER MOD Single : A 81 ASN :FLIP amide:sc= -2.74 F(o=-4.7!,f=-2.7) USER MOD Single : A 84 CYS SG : rot -16:sc= -2.8! USER MOD Single : A 88 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 91 GLN : amide:sc= -0.334 K(o=-0.33,f=-3.9!) USER MOD Single : A 95 MET CE :methyl 178:sc= 0 (180deg=-0.00578) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.493 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N ALA A 11 -7.184 17.513 -5.887 1.00 24.32 N ATOM 147 CA ALA A 11 -7.339 16.472 -6.922 1.00 4.43 C ATOM 148 C ALA A 11 -6.219 15.398 -6.868 1.00 12.31 C ATOM 149 O ALA A 11 -6.479 14.221 -7.140 1.00 25.02 O ATOM 150 CB ALA A 11 -7.368 17.141 -8.300 1.00 73.30 C ATOM 0 HA ALA A 11 -8.276 15.949 -6.732 1.00 4.43 H new ATOM 0 HB1 ALA A 11 -7.482 16.380 -9.072 1.00 73.30 H new ATOM 0 HB2 ALA A 11 -8.206 17.836 -8.349 1.00 73.30 H new ATOM 0 HB3 ALA A 11 -6.436 17.684 -8.461 1.00 73.30 H new ATOM 156 N VAL A 12 -4.990 15.827 -6.504 1.00 60.25 N ATOM 157 CA VAL A 12 -3.821 14.920 -6.340 1.00 14.24 C ATOM 158 C VAL A 12 -4.101 13.822 -5.284 1.00 44.55 C ATOM 159 O VAL A 12 -3.915 12.644 -5.552 1.00 63.14 O ATOM 160 CB VAL A 12 -2.526 15.708 -5.904 1.00 41.20 C ATOM 161 CG1 VAL A 12 -1.275 14.787 -5.864 1.00 30.34 C ATOM 162 CG2 VAL A 12 -2.281 16.934 -6.805 1.00 32.01 C ATOM 0 H VAL A 12 -4.776 16.806 -6.315 1.00 60.25 H new ATOM 0 HA VAL A 12 -3.654 14.460 -7.314 1.00 14.24 H new ATOM 0 HB VAL A 12 -2.700 16.068 -4.890 1.00 41.20 H new ATOM 0 HG11 VAL A 12 -0.405 15.368 -5.559 1.00 30.34 H new ATOM 0 HG12 VAL A 12 -1.440 13.980 -5.150 1.00 30.34 H new ATOM 0 HG13 VAL A 12 -1.101 14.366 -6.854 1.00 30.34 H new ATOM 0 HG21 VAL A 12 -1.381 17.453 -6.476 1.00 32.01 H new ATOM 0 HG22 VAL A 12 -2.155 16.607 -7.837 1.00 32.01 H new ATOM 0 HG23 VAL A 12 -3.134 17.610 -6.740 1.00 32.01 H new ATOM 172 N ARG A 13 -4.568 14.255 -4.094 1.00 65.42 N ATOM 173 CA ARG A 13 -4.858 13.375 -2.928 1.00 73.02 C ATOM 174 C ARG A 13 -5.859 12.244 -3.281 1.00 71.30 C ATOM 175 O ARG A 13 -5.634 11.070 -2.969 1.00 74.44 O ATOM 176 CB ARG A 13 -5.443 14.245 -1.784 1.00 32.11 C ATOM 177 CG ARG A 13 -4.501 15.348 -1.240 1.00 43.25 C ATOM 178 CD ARG A 13 -3.411 14.798 -0.300 1.00 33.33 C ATOM 179 NE ARG A 13 -3.990 14.024 0.812 1.00 32.22 N ATOM 180 CZ ARG A 13 -4.549 14.506 1.902 1.00 51.03 C ATOM 181 NH1 ARG A 13 -4.587 15.782 2.153 1.00 53.30 N ATOM 182 NH2 ARG A 13 -5.045 13.690 2.763 1.00 61.11 N ATOM 0 H ARG A 13 -4.759 15.239 -3.907 1.00 65.42 H new ATOM 0 HA ARG A 13 -3.927 12.900 -2.620 1.00 73.02 H new ATOM 0 HB2 ARG A 13 -6.359 14.716 -2.141 1.00 32.11 H new ATOM 0 HB3 ARG A 13 -5.722 13.590 -0.959 1.00 32.11 H new ATOM 0 HG2 ARG A 13 -4.027 15.859 -2.078 1.00 43.25 H new ATOM 0 HG3 ARG A 13 -5.092 16.092 -0.706 1.00 43.25 H new ATOM 0 HD2 ARG A 13 -2.727 14.166 -0.866 1.00 33.33 H new ATOM 0 HD3 ARG A 13 -2.824 15.625 0.099 1.00 33.33 H new ATOM 0 HE ARG A 13 -3.954 13.008 0.728 1.00 32.22 H new ATOM 0 HH11 ARG A 13 -4.175 16.444 1.495 1.00 53.30 H new ATOM 0 HH12 ARG A 13 -5.028 16.121 3.008 1.00 53.30 H new ATOM 0 HH21 ARG A 13 -5.002 12.685 2.597 1.00 61.11 H new ATOM 0 HH22 ARG A 13 -5.481 14.048 3.613 1.00 61.11 H new ATOM 196 N ASN A 14 -6.958 12.635 -3.957 1.00 64.14 N ATOM 197 CA ASN A 14 -8.039 11.713 -4.367 1.00 34.20 C ATOM 198 C ASN A 14 -7.544 10.710 -5.440 1.00 31.51 C ATOM 199 O ASN A 14 -7.816 9.509 -5.354 1.00 53.31 O ATOM 200 CB ASN A 14 -9.242 12.545 -4.891 1.00 34.45 C ATOM 201 CG ASN A 14 -10.481 11.701 -5.202 1.00 32.33 C ATOM 202 OD1 ASN A 14 -10.676 11.245 -6.323 1.00 70.45 O ATOM 203 ND2 ASN A 14 -11.325 11.480 -4.213 1.00 73.42 N ATOM 0 H ASN A 14 -7.122 13.602 -4.235 1.00 64.14 H new ATOM 0 HA ASN A 14 -8.355 11.126 -3.505 1.00 34.20 H new ATOM 0 HB2 ASN A 14 -9.503 13.299 -4.148 1.00 34.45 H new ATOM 0 HB3 ASN A 14 -8.940 13.078 -5.793 1.00 34.45 H new ATOM 0 HD21 ASN A 14 -12.162 10.919 -4.372 1.00 73.42 H new ATOM 0 HD22 ASN A 14 -11.141 11.870 -3.289 1.00 73.42 H new ATOM 210 N LYS A 15 -6.798 11.234 -6.433 1.00 23.43 N ATOM 211 CA LYS A 15 -6.209 10.430 -7.530 1.00 13.23 C ATOM 212 C LYS A 15 -5.172 9.410 -6.995 1.00 10.12 C ATOM 213 O LYS A 15 -5.115 8.266 -7.461 1.00 24.40 O ATOM 214 CB LYS A 15 -5.542 11.384 -8.562 1.00 13.12 C ATOM 215 CG LYS A 15 -5.018 10.705 -9.849 1.00 11.52 C ATOM 216 CD LYS A 15 -6.156 10.100 -10.705 1.00 73.31 C ATOM 217 CE LYS A 15 -5.643 9.445 -12.001 1.00 13.14 C ATOM 218 NZ LYS A 15 -6.754 8.894 -12.817 1.00 55.51 N ATOM 0 H LYS A 15 -6.585 12.229 -6.500 1.00 23.43 H new ATOM 0 HA LYS A 15 -7.007 9.863 -8.010 1.00 13.23 H new ATOM 0 HB2 LYS A 15 -6.265 12.150 -8.844 1.00 13.12 H new ATOM 0 HB3 LYS A 15 -4.710 11.894 -8.076 1.00 13.12 H new ATOM 0 HG2 LYS A 15 -4.469 11.435 -10.444 1.00 11.52 H new ATOM 0 HG3 LYS A 15 -4.313 9.919 -9.580 1.00 11.52 H new ATOM 0 HD2 LYS A 15 -6.693 9.357 -10.115 1.00 73.31 H new ATOM 0 HD3 LYS A 15 -6.871 10.883 -10.957 1.00 73.31 H new ATOM 0 HE2 LYS A 15 -5.092 10.181 -12.587 1.00 13.14 H new ATOM 0 HE3 LYS A 15 -4.944 8.647 -11.753 1.00 13.14 H new ATOM 0 HZ1 LYS A 15 -6.369 8.462 -13.681 1.00 55.51 H new ATOM 0 HZ2 LYS A 15 -7.264 8.174 -12.267 1.00 55.51 H new ATOM 0 HZ3 LYS A 15 -7.408 9.660 -13.075 1.00 55.51 H new ATOM 232 N CYS A 16 -4.374 9.854 -6.002 1.00 3.45 N ATOM 233 CA CYS A 16 -3.334 9.032 -5.349 1.00 43.13 C ATOM 234 C CYS A 16 -3.949 7.849 -4.596 1.00 3.34 C ATOM 235 O CYS A 16 -3.461 6.724 -4.711 1.00 53.43 O ATOM 236 CB CYS A 16 -2.464 9.889 -4.398 1.00 22.42 C ATOM 237 SG CYS A 16 -1.451 11.132 -5.241 1.00 11.42 S ATOM 0 H CYS A 16 -4.434 10.801 -5.628 1.00 3.45 H new ATOM 0 HA CYS A 16 -2.692 8.633 -6.134 1.00 43.13 H new ATOM 0 HB2 CYS A 16 -3.114 10.391 -3.682 1.00 22.42 H new ATOM 0 HB3 CYS A 16 -1.810 9.229 -3.827 1.00 22.42 H new ATOM 0 HG CYS A 16 -2.215 12.083 -5.689 1.00 11.42 H new ATOM 243 N ARG A 17 -5.043 8.115 -3.854 1.00 74.22 N ATOM 244 CA ARG A 17 -5.795 7.076 -3.124 1.00 23.45 C ATOM 245 C ARG A 17 -6.353 6.000 -4.092 1.00 24.10 C ATOM 246 O ARG A 17 -6.270 4.806 -3.799 1.00 63.10 O ATOM 247 CB ARG A 17 -6.947 7.713 -2.303 1.00 4.22 C ATOM 248 CG ARG A 17 -7.699 6.715 -1.395 1.00 22.43 C ATOM 249 CD ARG A 17 -8.919 7.332 -0.693 1.00 21.32 C ATOM 250 NE ARG A 17 -9.652 6.334 0.108 1.00 42.23 N ATOM 251 CZ ARG A 17 -10.958 6.273 0.259 1.00 31.22 C ATOM 252 NH1 ARG A 17 -11.767 7.014 -0.439 1.00 63.33 N ATOM 253 NH2 ARG A 17 -11.458 5.416 1.085 1.00 53.14 N ATOM 0 H ARG A 17 -5.428 9.053 -3.745 1.00 74.22 H new ATOM 0 HA ARG A 17 -5.105 6.586 -2.437 1.00 23.45 H new ATOM 0 HB2 ARG A 17 -6.540 8.514 -1.686 1.00 4.22 H new ATOM 0 HB3 ARG A 17 -7.659 8.171 -2.990 1.00 4.22 H new ATOM 0 HG2 ARG A 17 -8.025 5.864 -1.994 1.00 22.43 H new ATOM 0 HG3 ARG A 17 -7.011 6.330 -0.642 1.00 22.43 H new ATOM 0 HD2 ARG A 17 -8.593 8.148 -0.048 1.00 21.32 H new ATOM 0 HD3 ARG A 17 -9.588 7.763 -1.438 1.00 21.32 H new ATOM 0 HE ARG A 17 -9.096 5.627 0.589 1.00 42.23 H new ATOM 0 HH11 ARG A 17 -11.394 7.667 -1.128 1.00 63.33 H new ATOM 0 HH12 ARG A 17 -12.775 6.942 -0.297 1.00 63.33 H new ATOM 0 HH21 ARG A 17 -10.842 4.796 1.612 1.00 53.14 H new ATOM 0 HH22 ARG A 17 -12.469 5.359 1.211 1.00 53.14 H new ATOM 267 N GLU A 18 -6.892 6.445 -5.252 1.00 55.24 N ATOM 268 CA GLU A 18 -7.435 5.540 -6.305 1.00 43.44 C ATOM 269 C GLU A 18 -6.392 4.512 -6.812 1.00 52.13 C ATOM 270 O GLU A 18 -6.671 3.314 -6.850 1.00 73.43 O ATOM 271 CB GLU A 18 -7.961 6.348 -7.525 1.00 41.21 C ATOM 272 CG GLU A 18 -9.254 7.151 -7.287 1.00 32.24 C ATOM 273 CD GLU A 18 -9.881 7.713 -8.581 1.00 21.24 C ATOM 274 OE1 GLU A 18 -9.791 7.050 -9.639 1.00 51.40 O ATOM 275 OE2 GLU A 18 -10.481 8.802 -8.548 1.00 11.22 O ATOM 0 H GLU A 18 -6.965 7.435 -5.488 1.00 55.24 H new ATOM 0 HA GLU A 18 -8.253 4.998 -5.831 1.00 43.44 H new ATOM 0 HB2 GLU A 18 -7.180 7.038 -7.844 1.00 41.21 H new ATOM 0 HB3 GLU A 18 -8.132 5.656 -8.350 1.00 41.21 H new ATOM 0 HG2 GLU A 18 -9.982 6.511 -6.789 1.00 32.24 H new ATOM 0 HG3 GLU A 18 -9.039 7.977 -6.609 1.00 32.24 H new ATOM 282 N MET A 19 -5.203 4.997 -7.218 1.00 21.01 N ATOM 283 CA MET A 19 -4.122 4.130 -7.769 1.00 71.10 C ATOM 284 C MET A 19 -3.432 3.259 -6.673 1.00 41.13 C ATOM 285 O MET A 19 -2.922 2.168 -6.976 1.00 54.30 O ATOM 286 CB MET A 19 -3.116 4.959 -8.623 1.00 5.52 C ATOM 287 CG MET A 19 -2.591 6.251 -7.985 1.00 42.45 C ATOM 288 SD MET A 19 -1.424 7.104 -9.073 1.00 2.33 S ATOM 289 CE MET A 19 -1.026 8.589 -8.156 1.00 15.43 C ATOM 0 H MET A 19 -4.958 5.986 -7.178 1.00 21.01 H new ATOM 0 HA MET A 19 -4.590 3.414 -8.444 1.00 71.10 H new ATOM 0 HB2 MET A 19 -2.263 4.323 -8.861 1.00 5.52 H new ATOM 0 HB3 MET A 19 -3.597 5.214 -9.567 1.00 5.52 H new ATOM 0 HG2 MET A 19 -3.428 6.912 -7.758 1.00 42.45 H new ATOM 0 HG3 MET A 19 -2.103 6.018 -7.038 1.00 42.45 H new ATOM 0 HE1 MET A 19 -0.318 9.190 -8.726 1.00 15.43 H new ATOM 0 HE2 MET A 19 -1.935 9.165 -7.984 1.00 15.43 H new ATOM 0 HE3 MET A 19 -0.582 8.317 -7.198 1.00 15.43 H new ATOM 299 N LEU A 20 -3.418 3.745 -5.409 1.00 62.41 N ATOM 300 CA LEU A 20 -3.043 2.913 -4.226 1.00 34.45 C ATOM 301 C LEU A 20 -4.043 1.740 -4.030 1.00 15.32 C ATOM 302 O LEU A 20 -3.645 0.612 -3.719 1.00 30.51 O ATOM 303 CB LEU A 20 -2.992 3.777 -2.932 1.00 33.03 C ATOM 304 CG LEU A 20 -1.808 4.786 -2.812 1.00 43.21 C ATOM 305 CD1 LEU A 20 -1.963 5.696 -1.568 1.00 51.04 C ATOM 306 CD2 LEU A 20 -0.448 4.048 -2.797 1.00 3.34 C ATOM 0 H LEU A 20 -3.661 4.708 -5.176 1.00 62.41 H new ATOM 0 HA LEU A 20 -2.051 2.502 -4.416 1.00 34.45 H new ATOM 0 HB2 LEU A 20 -3.925 4.336 -2.859 1.00 33.03 H new ATOM 0 HB3 LEU A 20 -2.955 3.105 -2.075 1.00 33.03 H new ATOM 0 HG LEU A 20 -1.832 5.428 -3.693 1.00 43.21 H new ATOM 0 HD11 LEU A 20 -1.121 6.386 -1.515 1.00 51.04 H new ATOM 0 HD12 LEU A 20 -2.892 6.261 -1.644 1.00 51.04 H new ATOM 0 HD13 LEU A 20 -1.985 5.081 -0.668 1.00 51.04 H new ATOM 0 HD21 LEU A 20 0.360 4.775 -2.713 1.00 3.34 H new ATOM 0 HD22 LEU A 20 -0.413 3.367 -1.947 1.00 3.34 H new ATOM 0 HD23 LEU A 20 -0.331 3.482 -3.721 1.00 3.34 H new ATOM 318 N THR A 21 -5.349 2.040 -4.215 1.00 55.31 N ATOM 319 CA THR A 21 -6.441 1.037 -4.135 1.00 23.32 C ATOM 320 C THR A 21 -6.323 0.010 -5.286 1.00 11.41 C ATOM 321 O THR A 21 -6.512 -1.185 -5.077 1.00 31.52 O ATOM 322 CB THR A 21 -7.862 1.720 -4.199 1.00 45.21 C ATOM 323 OG1 THR A 21 -7.993 2.707 -3.171 1.00 61.31 O ATOM 324 CG2 THR A 21 -9.017 0.716 -4.043 1.00 42.21 C ATOM 0 H THR A 21 -5.677 2.983 -4.424 1.00 55.31 H new ATOM 0 HA THR A 21 -6.339 0.529 -3.176 1.00 23.32 H new ATOM 0 HB THR A 21 -7.929 2.175 -5.187 1.00 45.21 H new ATOM 0 HG1 THR A 21 -7.445 3.488 -3.395 1.00 61.31 H new ATOM 0 HG21 THR A 21 -9.969 1.245 -4.095 1.00 42.21 H new ATOM 0 HG22 THR A 21 -8.968 -0.022 -4.843 1.00 42.21 H new ATOM 0 HG23 THR A 21 -8.934 0.213 -3.080 1.00 42.21 H new ATOM 332 N ALA A 22 -5.981 0.509 -6.495 1.00 3.40 N ATOM 333 CA ALA A 22 -5.817 -0.316 -7.715 1.00 51.41 C ATOM 334 C ALA A 22 -4.649 -1.320 -7.587 1.00 43.54 C ATOM 335 O ALA A 22 -4.697 -2.410 -8.159 1.00 62.24 O ATOM 336 CB ALA A 22 -5.616 0.597 -8.935 1.00 64.12 C ATOM 0 H ALA A 22 -5.810 1.502 -6.654 1.00 3.40 H new ATOM 0 HA ALA A 22 -6.726 -0.903 -7.847 1.00 51.41 H new ATOM 0 HB1 ALA A 22 -5.496 -0.013 -9.830 1.00 64.12 H new ATOM 0 HB2 ALA A 22 -6.485 1.245 -9.052 1.00 64.12 H new ATOM 0 HB3 ALA A 22 -4.725 1.208 -8.790 1.00 64.12 H new ATOM 342 N ALA A 23 -3.595 -0.932 -6.832 1.00 74.34 N ATOM 343 CA ALA A 23 -2.459 -1.829 -6.493 1.00 53.13 C ATOM 344 C ALA A 23 -2.918 -3.034 -5.634 1.00 12.10 C ATOM 345 O ALA A 23 -2.327 -4.112 -5.689 1.00 32.22 O ATOM 346 CB ALA A 23 -1.368 -1.034 -5.758 1.00 71.31 C ATOM 0 H ALA A 23 -3.505 0.006 -6.441 1.00 74.34 H new ATOM 0 HA ALA A 23 -2.053 -2.226 -7.424 1.00 53.13 H new ATOM 0 HB1 ALA A 23 -0.538 -1.697 -5.512 1.00 71.31 H new ATOM 0 HB2 ALA A 23 -1.011 -0.228 -6.399 1.00 71.31 H new ATOM 0 HB3 ALA A 23 -1.780 -0.613 -4.841 1.00 71.31 H new ATOM 352 N LEU A 24 -3.966 -2.808 -4.823 1.00 52.04 N ATOM 353 CA LEU A 24 -4.600 -3.849 -3.983 1.00 4.43 C ATOM 354 C LEU A 24 -5.708 -4.639 -4.749 1.00 11.34 C ATOM 355 O LEU A 24 -5.968 -5.816 -4.454 1.00 12.22 O ATOM 356 CB LEU A 24 -5.175 -3.178 -2.709 1.00 70.00 C ATOM 357 CG LEU A 24 -4.140 -2.417 -1.808 1.00 64.23 C ATOM 358 CD1 LEU A 24 -4.833 -1.689 -0.631 1.00 0.11 C ATOM 359 CD2 LEU A 24 -3.028 -3.370 -1.291 1.00 12.01 C ATOM 0 H LEU A 24 -4.403 -1.891 -4.729 1.00 52.04 H new ATOM 0 HA LEU A 24 -3.841 -4.582 -3.708 1.00 4.43 H new ATOM 0 HB2 LEU A 24 -5.951 -2.474 -3.011 1.00 70.00 H new ATOM 0 HB3 LEU A 24 -5.659 -3.945 -2.104 1.00 70.00 H new ATOM 0 HG LEU A 24 -3.668 -1.660 -2.434 1.00 64.23 H new ATOM 0 HD11 LEU A 24 -4.084 -1.174 -0.030 1.00 0.11 H new ATOM 0 HD12 LEU A 24 -5.547 -0.963 -1.021 1.00 0.11 H new ATOM 0 HD13 LEU A 24 -5.357 -2.416 -0.011 1.00 0.11 H new ATOM 0 HD21 LEU A 24 -2.328 -2.810 -0.670 1.00 12.01 H new ATOM 0 HD22 LEU A 24 -3.478 -4.168 -0.701 1.00 12.01 H new ATOM 0 HD23 LEU A 24 -2.496 -3.802 -2.139 1.00 12.01 H new ATOM 371 N GLN A 25 -6.365 -3.976 -5.729 1.00 23.11 N ATOM 372 CA GLN A 25 -7.490 -4.567 -6.514 1.00 11.33 C ATOM 373 C GLN A 25 -7.026 -5.370 -7.750 1.00 11.43 C ATOM 374 O GLN A 25 -7.799 -6.177 -8.275 1.00 22.01 O ATOM 375 CB GLN A 25 -8.465 -3.458 -6.999 1.00 52.11 C ATOM 376 CG GLN A 25 -9.252 -2.754 -5.884 1.00 5.41 C ATOM 377 CD GLN A 25 -10.358 -1.853 -6.438 1.00 31.11 C ATOM 378 OE1 GLN A 25 -10.160 -0.673 -6.681 1.00 61.43 O ATOM 379 NE2 GLN A 25 -11.519 -2.425 -6.674 1.00 24.11 N ATOM 0 H GLN A 25 -6.137 -3.020 -6.002 1.00 23.11 H new ATOM 0 HA GLN A 25 -7.987 -5.255 -5.830 1.00 11.33 H new ATOM 0 HB2 GLN A 25 -7.895 -2.709 -7.549 1.00 52.11 H new ATOM 0 HB3 GLN A 25 -9.173 -3.899 -7.700 1.00 52.11 H new ATOM 0 HG2 GLN A 25 -9.691 -3.502 -5.224 1.00 5.41 H new ATOM 0 HG3 GLN A 25 -8.568 -2.158 -5.280 1.00 5.41 H new ATOM 0 HE21 GLN A 25 -11.654 -3.413 -6.460 1.00 24.11 H new ATOM 0 HE22 GLN A 25 -12.285 -1.880 -7.071 1.00 24.11 H new ATOM 388 N THR A 26 -5.787 -5.124 -8.203 1.00 3.41 N ATOM 389 CA THR A 26 -5.247 -5.658 -9.487 1.00 15.24 C ATOM 390 C THR A 26 -5.390 -7.202 -9.647 1.00 52.11 C ATOM 391 O THR A 26 -5.854 -7.678 -10.691 1.00 24.10 O ATOM 392 CB THR A 26 -3.753 -5.222 -9.721 1.00 13.44 C ATOM 393 OG1 THR A 26 -3.270 -5.741 -10.975 1.00 15.43 O ATOM 394 CG2 THR A 26 -2.812 -5.651 -8.577 1.00 63.13 C ATOM 0 H THR A 26 -5.118 -4.546 -7.694 1.00 3.41 H new ATOM 0 HA THR A 26 -5.874 -5.209 -10.257 1.00 15.24 H new ATOM 0 HB THR A 26 -3.748 -4.132 -9.745 1.00 13.44 H new ATOM 0 HG1 THR A 26 -2.340 -5.461 -11.109 1.00 15.43 H new ATOM 0 HG21 THR A 26 -1.797 -5.321 -8.798 1.00 63.13 H new ATOM 0 HG22 THR A 26 -3.145 -5.199 -7.643 1.00 63.13 H new ATOM 0 HG23 THR A 26 -2.828 -6.737 -8.481 1.00 63.13 H new ATOM 402 N ASP A 27 -5.010 -7.971 -8.603 1.00 75.03 N ATOM 403 CA ASP A 27 -5.163 -9.454 -8.580 1.00 71.33 C ATOM 404 C ASP A 27 -6.439 -9.896 -7.827 1.00 71.35 C ATOM 405 O ASP A 27 -6.694 -11.095 -7.688 1.00 11.13 O ATOM 406 CB ASP A 27 -3.903 -10.107 -7.961 1.00 33.03 C ATOM 407 CG ASP A 27 -2.688 -10.019 -8.886 1.00 61.41 C ATOM 408 OD1 ASP A 27 -2.067 -8.946 -8.966 1.00 60.34 O ATOM 409 OD2 ASP A 27 -2.364 -11.018 -9.563 1.00 53.04 O ATOM 0 H ASP A 27 -4.591 -7.590 -7.755 1.00 75.03 H new ATOM 0 HA ASP A 27 -5.271 -9.793 -9.610 1.00 71.33 H new ATOM 0 HB2 ASP A 27 -3.672 -9.619 -7.014 1.00 33.03 H new ATOM 0 HB3 ASP A 27 -4.112 -11.153 -7.738 1.00 33.03 H new ATOM 414 N HIS A 28 -7.233 -8.908 -7.356 1.00 34.33 N ATOM 415 CA HIS A 28 -8.569 -9.113 -6.732 1.00 31.02 C ATOM 416 C HIS A 28 -8.529 -9.959 -5.430 1.00 14.23 C ATOM 417 O HIS A 28 -9.566 -10.467 -5.011 1.00 2.03 O ATOM 418 CB HIS A 28 -9.573 -9.747 -7.750 1.00 32.23 C ATOM 419 CG HIS A 28 -9.646 -9.040 -9.076 1.00 53.25 C ATOM 420 ND1 HIS A 28 -8.960 -9.462 -10.192 1.00 53.53 N ATOM 421 CD2 HIS A 28 -10.321 -7.941 -9.457 1.00 32.54 C ATOM 422 CE1 HIS A 28 -9.202 -8.650 -11.192 1.00 31.12 C ATOM 423 NE2 HIS A 28 -10.029 -7.717 -10.774 1.00 53.55 N ATOM 0 H HIS A 28 -6.962 -7.926 -7.398 1.00 34.33 H new ATOM 0 HA HIS A 28 -8.913 -8.118 -6.448 1.00 31.02 H new ATOM 0 HB2 HIS A 28 -9.290 -10.786 -7.921 1.00 32.23 H new ATOM 0 HB3 HIS A 28 -10.567 -9.757 -7.303 1.00 32.23 H new ATOM 0 HD2 HIS A 28 -10.974 -7.345 -8.837 1.00 32.54 H new ATOM 0 HE1 HIS A 28 -8.793 -8.733 -12.188 1.00 31.12 H new ATOM 0 HE2 HIS A 28 -10.393 -6.951 -11.340 1.00 53.55 H new ATOM 432 N ASP A 29 -7.350 -10.069 -4.772 1.00 20.14 N ATOM 433 CA ASP A 29 -7.168 -10.894 -3.542 1.00 3.12 C ATOM 434 C ASP A 29 -8.116 -10.483 -2.382 1.00 52.54 C ATOM 435 O ASP A 29 -8.458 -11.312 -1.531 1.00 32.05 O ATOM 436 CB ASP A 29 -5.693 -10.828 -3.068 1.00 33.52 C ATOM 437 CG ASP A 29 -4.710 -11.420 -4.086 1.00 75.22 C ATOM 438 OD1 ASP A 29 -4.776 -12.646 -4.330 1.00 4.50 O ATOM 439 OD2 ASP A 29 -3.884 -10.673 -4.643 1.00 0.35 O ATOM 0 H ASP A 29 -6.499 -9.593 -5.073 1.00 20.14 H new ATOM 0 HA ASP A 29 -7.428 -11.917 -3.813 1.00 3.12 H new ATOM 0 HB2 ASP A 29 -5.425 -9.789 -2.874 1.00 33.52 H new ATOM 0 HB3 ASP A 29 -5.596 -11.364 -2.124 1.00 33.52 H new ATOM 444 N HIS A 30 -8.542 -9.204 -2.383 1.00 62.41 N ATOM 445 CA HIS A 30 -9.455 -8.645 -1.363 1.00 64.52 C ATOM 446 C HIS A 30 -10.848 -9.335 -1.360 1.00 61.34 C ATOM 447 O HIS A 30 -11.561 -9.264 -0.367 1.00 63.43 O ATOM 448 CB HIS A 30 -9.628 -7.114 -1.570 1.00 64.51 C ATOM 449 CG HIS A 30 -10.598 -6.717 -2.659 1.00 63.32 C ATOM 450 ND1 HIS A 30 -11.934 -6.483 -2.408 1.00 15.21 N ATOM 451 CD2 HIS A 30 -10.441 -6.541 -3.999 1.00 65.00 C ATOM 452 CE1 HIS A 30 -12.552 -6.192 -3.528 1.00 4.14 C ATOM 453 NE2 HIS A 30 -11.675 -6.218 -4.508 1.00 43.22 N ATOM 0 H HIS A 30 -8.262 -8.527 -3.093 1.00 62.41 H new ATOM 0 HA HIS A 30 -8.995 -8.837 -0.394 1.00 64.52 H new ATOM 0 HB2 HIS A 30 -9.960 -6.672 -0.631 1.00 64.51 H new ATOM 0 HB3 HIS A 30 -8.654 -6.682 -1.798 1.00 64.51 H new ATOM 0 HD2 HIS A 30 -9.521 -6.637 -4.556 1.00 65.00 H new ATOM 0 HE1 HIS A 30 -13.604 -5.969 -3.628 1.00 4.14 H new ATOM 0 HE2 HIS A 30 -11.879 -6.029 -5.489 1.00 43.22 H new ATOM 462 N VAL A 31 -11.240 -9.950 -2.500 1.00 23.13 N ATOM 463 CA VAL A 31 -12.571 -10.588 -2.664 1.00 64.25 C ATOM 464 C VAL A 31 -12.703 -11.870 -1.799 1.00 31.23 C ATOM 465 O VAL A 31 -13.725 -12.073 -1.134 1.00 75.04 O ATOM 466 CB VAL A 31 -12.873 -10.916 -4.182 1.00 22.24 C ATOM 467 CG1 VAL A 31 -14.276 -11.552 -4.376 1.00 14.43 C ATOM 468 CG2 VAL A 31 -12.723 -9.650 -5.060 1.00 54.43 C ATOM 0 H VAL A 31 -10.648 -10.019 -3.328 1.00 23.13 H new ATOM 0 HA VAL A 31 -13.311 -9.868 -2.316 1.00 64.25 H new ATOM 0 HB VAL A 31 -12.136 -11.653 -4.502 1.00 22.24 H new ATOM 0 HG11 VAL A 31 -14.438 -11.760 -5.434 1.00 14.43 H new ATOM 0 HG12 VAL A 31 -14.335 -12.482 -3.810 1.00 14.43 H new ATOM 0 HG13 VAL A 31 -15.041 -10.862 -4.020 1.00 14.43 H new ATOM 0 HG21 VAL A 31 -12.936 -9.901 -6.099 1.00 54.43 H new ATOM 0 HG22 VAL A 31 -13.423 -8.887 -4.720 1.00 54.43 H new ATOM 0 HG23 VAL A 31 -11.705 -9.270 -4.979 1.00 54.43 H new ATOM 478 N ALA A 32 -11.655 -12.721 -1.809 1.00 34.04 N ATOM 479 CA ALA A 32 -11.598 -13.957 -0.982 1.00 35.02 C ATOM 480 C ALA A 32 -11.465 -13.636 0.530 1.00 22.45 C ATOM 481 O ALA A 32 -11.934 -14.398 1.383 1.00 72.51 O ATOM 482 CB ALA A 32 -10.434 -14.853 -1.445 1.00 71.13 C ATOM 0 H ALA A 32 -10.826 -12.577 -2.386 1.00 34.04 H new ATOM 0 HA ALA A 32 -12.538 -14.490 -1.120 1.00 35.02 H new ATOM 0 HB1 ALA A 32 -10.403 -15.754 -0.832 1.00 71.13 H new ATOM 0 HB2 ALA A 32 -10.580 -15.129 -2.489 1.00 71.13 H new ATOM 0 HB3 ALA A 32 -9.494 -14.311 -1.341 1.00 71.13 H new ATOM 488 N ILE A 33 -10.818 -12.501 0.840 1.00 5.45 N ATOM 489 CA ILE A 33 -10.546 -12.062 2.232 1.00 40.34 C ATOM 490 C ILE A 33 -11.718 -11.219 2.819 1.00 3.41 C ATOM 491 O ILE A 33 -11.997 -11.271 4.028 1.00 14.03 O ATOM 492 CB ILE A 33 -9.199 -11.239 2.266 1.00 75.51 C ATOM 493 CG1 ILE A 33 -8.030 -12.098 1.664 1.00 40.33 C ATOM 494 CG2 ILE A 33 -8.852 -10.754 3.703 1.00 43.22 C ATOM 495 CD1 ILE A 33 -6.703 -11.374 1.502 1.00 74.21 C ATOM 0 H ILE A 33 -10.465 -11.855 0.135 1.00 5.45 H new ATOM 0 HA ILE A 33 -10.451 -12.950 2.857 1.00 40.34 H new ATOM 0 HB ILE A 33 -9.334 -10.347 1.654 1.00 75.51 H new ATOM 0 HG12 ILE A 33 -7.874 -12.967 2.303 1.00 40.33 H new ATOM 0 HG13 ILE A 33 -8.342 -12.472 0.689 1.00 40.33 H new ATOM 0 HG21 ILE A 33 -7.918 -10.192 3.682 1.00 43.22 H new ATOM 0 HG22 ILE A 33 -9.652 -10.114 4.074 1.00 43.22 H new ATOM 0 HG23 ILE A 33 -8.742 -11.616 4.361 1.00 43.22 H new ATOM 0 HD11 ILE A 33 -5.966 -12.056 1.079 1.00 74.21 H new ATOM 0 HD12 ILE A 33 -6.833 -10.521 0.835 1.00 74.21 H new ATOM 0 HD13 ILE A 33 -6.358 -11.025 2.475 1.00 74.21 H new ATOM 507 N GLY A 34 -12.412 -10.478 1.939 1.00 61.11 N ATOM 508 CA GLY A 34 -13.420 -9.486 2.351 1.00 12.51 C ATOM 509 C GLY A 34 -12.790 -8.236 2.972 1.00 13.51 C ATOM 510 O GLY A 34 -13.109 -7.861 4.106 1.00 75.11 O ATOM 0 H GLY A 34 -12.292 -10.549 0.929 1.00 61.11 H new ATOM 0 HA2 GLY A 34 -14.016 -9.197 1.485 1.00 12.51 H new ATOM 0 HA3 GLY A 34 -14.101 -9.941 3.070 1.00 12.51 H new ATOM 514 N ALA A 35 -11.879 -7.601 2.214 1.00 11.20 N ATOM 515 CA ALA A 35 -11.125 -6.402 2.653 1.00 3.43 C ATOM 516 C ALA A 35 -11.422 -5.198 1.733 1.00 74.11 C ATOM 517 O ALA A 35 -11.308 -5.310 0.505 1.00 62.10 O ATOM 518 CB ALA A 35 -9.620 -6.714 2.660 1.00 1.22 C ATOM 0 H ALA A 35 -11.639 -7.904 1.270 1.00 11.20 H new ATOM 0 HA ALA A 35 -11.442 -6.138 3.662 1.00 3.43 H new ATOM 0 HB1 ALA A 35 -9.067 -5.832 2.983 1.00 1.22 H new ATOM 0 HB2 ALA A 35 -9.422 -7.537 3.346 1.00 1.22 H new ATOM 0 HB3 ALA A 35 -9.302 -6.994 1.656 1.00 1.22 H new ATOM 524 N ASP A 36 -11.816 -4.056 2.324 1.00 60.40 N ATOM 525 CA ASP A 36 -12.064 -2.814 1.562 1.00 60.31 C ATOM 526 C ASP A 36 -10.731 -2.113 1.218 1.00 51.53 C ATOM 527 O ASP A 36 -10.177 -1.378 2.045 1.00 22.22 O ATOM 528 CB ASP A 36 -12.986 -1.852 2.352 1.00 22.25 C ATOM 529 CG ASP A 36 -14.297 -2.511 2.784 1.00 62.31 C ATOM 530 OD1 ASP A 36 -14.345 -3.095 3.886 1.00 31.45 O ATOM 531 OD2 ASP A 36 -15.290 -2.442 2.031 1.00 64.02 O ATOM 0 H ASP A 36 -11.970 -3.965 3.328 1.00 60.40 H new ATOM 0 HA ASP A 36 -12.567 -3.085 0.634 1.00 60.31 H new ATOM 0 HB2 ASP A 36 -12.457 -1.492 3.235 1.00 22.25 H new ATOM 0 HB3 ASP A 36 -13.208 -0.981 1.736 1.00 22.25 H new ATOM 536 N CYS A 37 -10.234 -2.332 -0.016 1.00 45.34 N ATOM 537 CA CYS A 37 -8.936 -1.784 -0.491 1.00 50.02 C ATOM 538 C CYS A 37 -8.866 -0.237 -0.409 1.00 13.40 C ATOM 539 O CYS A 37 -7.778 0.330 -0.307 1.00 11.14 O ATOM 540 CB CYS A 37 -8.681 -2.222 -1.951 1.00 23.04 C ATOM 541 SG CYS A 37 -8.658 -3.999 -2.218 1.00 24.53 S ATOM 0 H CYS A 37 -10.718 -2.894 -0.716 1.00 45.34 H new ATOM 0 HA CYS A 37 -8.169 -2.184 0.172 1.00 50.02 H new ATOM 0 HB2 CYS A 37 -9.452 -1.784 -2.586 1.00 23.04 H new ATOM 0 HB3 CYS A 37 -7.727 -1.808 -2.277 1.00 23.04 H new ATOM 0 HG CYS A 37 -8.439 -4.246 -3.475 1.00 24.53 H new ATOM 547 N GLU A 38 -10.035 0.431 -0.471 1.00 11.31 N ATOM 548 CA GLU A 38 -10.126 1.908 -0.421 1.00 44.21 C ATOM 549 C GLU A 38 -9.852 2.472 0.997 1.00 22.34 C ATOM 550 O GLU A 38 -9.215 3.521 1.122 1.00 33.43 O ATOM 551 CB GLU A 38 -11.496 2.403 -0.956 1.00 53.10 C ATOM 552 CG GLU A 38 -12.727 1.844 -0.218 1.00 73.20 C ATOM 553 CD GLU A 38 -14.054 2.386 -0.774 1.00 22.42 C ATOM 554 OE1 GLU A 38 -14.518 1.884 -1.822 1.00 12.21 O ATOM 555 OE2 GLU A 38 -14.620 3.345 -0.189 1.00 32.23 O ATOM 0 H GLU A 38 -10.939 -0.033 -0.557 1.00 11.31 H new ATOM 0 HA GLU A 38 -9.341 2.291 -1.073 1.00 44.21 H new ATOM 0 HB2 GLU A 38 -11.520 3.491 -0.897 1.00 53.10 H new ATOM 0 HB3 GLU A 38 -11.573 2.139 -2.011 1.00 53.10 H new ATOM 0 HG2 GLU A 38 -12.725 0.756 -0.291 1.00 73.20 H new ATOM 0 HG3 GLU A 38 -12.654 2.093 0.841 1.00 73.20 H new ATOM 562 N ARG A 39 -10.333 1.794 2.066 1.00 53.14 N ATOM 563 CA ARG A 39 -10.068 2.244 3.462 1.00 60.31 C ATOM 564 C ARG A 39 -8.628 1.885 3.880 1.00 4.05 C ATOM 565 O ARG A 39 -8.007 2.609 4.656 1.00 31.24 O ATOM 566 CB ARG A 39 -11.101 1.676 4.478 1.00 31.42 C ATOM 567 CG ARG A 39 -10.994 0.165 4.776 1.00 11.43 C ATOM 568 CD ARG A 39 -12.051 -0.309 5.788 1.00 2.34 C ATOM 569 NE ARG A 39 -13.427 -0.043 5.316 1.00 54.43 N ATOM 570 CZ ARG A 39 -14.491 0.082 6.081 1.00 25.31 C ATOM 571 NH1 ARG A 39 -14.410 0.009 7.375 1.00 72.22 N ATOM 572 NH2 ARG A 39 -15.640 0.301 5.542 1.00 32.52 N ATOM 0 H ARG A 39 -10.897 0.947 1.996 1.00 53.14 H new ATOM 0 HA ARG A 39 -10.179 3.328 3.477 1.00 60.31 H new ATOM 0 HB2 ARG A 39 -10.995 2.220 5.417 1.00 31.42 H new ATOM 0 HB3 ARG A 39 -12.103 1.882 4.101 1.00 31.42 H new ATOM 0 HG2 ARG A 39 -11.107 -0.395 3.848 1.00 11.43 H new ATOM 0 HG3 ARG A 39 -9.999 -0.057 5.163 1.00 11.43 H new ATOM 0 HD2 ARG A 39 -11.929 -1.377 5.966 1.00 2.34 H new ATOM 0 HD3 ARG A 39 -11.891 0.194 6.742 1.00 2.34 H new ATOM 0 HE ARG A 39 -13.564 0.052 4.310 1.00 54.43 H new ATOM 0 HH11 ARG A 39 -13.506 -0.149 7.821 1.00 72.22 H new ATOM 0 HH12 ARG A 39 -15.250 0.109 7.945 1.00 72.22 H new ATOM 0 HH21 ARG A 39 -15.722 0.377 4.528 1.00 32.52 H new ATOM 0 HH22 ARG A 39 -16.468 0.399 6.129 1.00 32.52 H new ATOM 586 N LEU A 40 -8.105 0.765 3.333 1.00 31.33 N ATOM 587 CA LEU A 40 -6.704 0.352 3.539 1.00 40.32 C ATOM 588 C LEU A 40 -5.741 1.374 2.893 1.00 11.14 C ATOM 589 O LEU A 40 -4.818 1.855 3.537 1.00 73.21 O ATOM 590 CB LEU A 40 -6.459 -1.068 2.960 1.00 11.13 C ATOM 591 CG LEU A 40 -7.401 -2.205 3.488 1.00 1.33 C ATOM 592 CD1 LEU A 40 -7.041 -3.568 2.867 1.00 24.42 C ATOM 593 CD2 LEU A 40 -7.405 -2.284 5.033 1.00 42.13 C ATOM 0 H LEU A 40 -8.639 0.128 2.742 1.00 31.33 H new ATOM 0 HA LEU A 40 -6.509 0.321 4.611 1.00 40.32 H new ATOM 0 HB2 LEU A 40 -6.558 -1.017 1.876 1.00 11.13 H new ATOM 0 HB3 LEU A 40 -5.428 -1.351 3.173 1.00 11.13 H new ATOM 0 HG LEU A 40 -8.413 -1.949 3.173 1.00 1.33 H new ATOM 0 HD11 LEU A 40 -7.713 -4.333 3.255 1.00 24.42 H new ATOM 0 HD12 LEU A 40 -7.141 -3.512 1.783 1.00 24.42 H new ATOM 0 HD13 LEU A 40 -6.013 -3.824 3.123 1.00 24.42 H new ATOM 0 HD21 LEU A 40 -8.071 -3.085 5.355 1.00 42.13 H new ATOM 0 HD22 LEU A 40 -6.395 -2.486 5.390 1.00 42.13 H new ATOM 0 HD23 LEU A 40 -7.752 -1.336 5.445 1.00 42.13 H new ATOM 605 N SER A 41 -6.016 1.723 1.622 1.00 15.34 N ATOM 606 CA SER A 41 -5.234 2.729 0.857 1.00 24.31 C ATOM 607 C SER A 41 -5.351 4.138 1.468 1.00 31.03 C ATOM 608 O SER A 41 -4.449 4.950 1.313 1.00 62.50 O ATOM 609 CB SER A 41 -5.693 2.785 -0.610 1.00 51.52 C ATOM 610 OG SER A 41 -7.011 3.296 -0.719 1.00 52.42 O ATOM 0 H SER A 41 -6.787 1.318 1.090 1.00 15.34 H new ATOM 0 HA SER A 41 -4.192 2.412 0.906 1.00 24.31 H new ATOM 0 HB2 SER A 41 -5.009 3.411 -1.183 1.00 51.52 H new ATOM 0 HB3 SER A 41 -5.651 1.786 -1.045 1.00 51.52 H new ATOM 0 HG SER A 41 -7.335 3.171 -1.635 1.00 52.42 H new ATOM 616 N ALA A 42 -6.499 4.424 2.115 1.00 74.34 N ATOM 617 CA ALA A 42 -6.734 5.690 2.842 1.00 60.54 C ATOM 618 C ALA A 42 -5.887 5.776 4.135 1.00 45.33 C ATOM 619 O ALA A 42 -5.356 6.839 4.468 1.00 72.12 O ATOM 620 CB ALA A 42 -8.224 5.844 3.155 1.00 74.12 C ATOM 0 H ALA A 42 -7.291 3.783 2.149 1.00 74.34 H new ATOM 0 HA ALA A 42 -6.420 6.512 2.199 1.00 60.54 H new ATOM 0 HB1 ALA A 42 -8.389 6.779 3.691 1.00 74.12 H new ATOM 0 HB2 ALA A 42 -8.792 5.854 2.225 1.00 74.12 H new ATOM 0 HB3 ALA A 42 -8.554 5.009 3.773 1.00 74.12 H new ATOM 626 N GLN A 43 -5.762 4.647 4.860 1.00 61.33 N ATOM 627 CA GLN A 43 -4.891 4.558 6.059 1.00 22.51 C ATOM 628 C GLN A 43 -3.386 4.585 5.660 1.00 34.12 C ATOM 629 O GLN A 43 -2.535 5.043 6.436 1.00 63.34 O ATOM 630 CB GLN A 43 -5.227 3.288 6.882 1.00 50.41 C ATOM 631 CG GLN A 43 -6.638 3.287 7.518 1.00 2.21 C ATOM 632 CD GLN A 43 -6.990 1.979 8.244 1.00 41.04 C ATOM 633 OE1 GLN A 43 -6.533 0.900 7.876 1.00 2.12 O ATOM 634 NE2 GLN A 43 -7.816 2.061 9.272 1.00 74.25 N ATOM 0 H GLN A 43 -6.252 3.780 4.639 1.00 61.33 H new ATOM 0 HA GLN A 43 -5.083 5.430 6.685 1.00 22.51 H new ATOM 0 HB2 GLN A 43 -5.134 2.416 6.234 1.00 50.41 H new ATOM 0 HB3 GLN A 43 -4.486 3.177 7.674 1.00 50.41 H new ATOM 0 HG2 GLN A 43 -6.709 4.114 8.224 1.00 2.21 H new ATOM 0 HG3 GLN A 43 -7.378 3.470 6.739 1.00 2.21 H new ATOM 0 HE21 GLN A 43 -8.183 2.968 9.560 1.00 74.25 H new ATOM 0 HE22 GLN A 43 -8.086 1.217 9.778 1.00 74.25 H new ATOM 643 N ILE A 44 -3.078 4.068 4.446 1.00 64.21 N ATOM 644 CA ILE A 44 -1.763 4.260 3.780 1.00 35.23 C ATOM 645 C ILE A 44 -1.542 5.761 3.460 1.00 1.44 C ATOM 646 O ILE A 44 -0.462 6.316 3.715 1.00 73.52 O ATOM 647 CB ILE A 44 -1.665 3.417 2.434 1.00 53.31 C ATOM 648 CG1 ILE A 44 -1.722 1.883 2.725 1.00 61.14 C ATOM 649 CG2 ILE A 44 -0.402 3.774 1.595 1.00 23.33 C ATOM 650 CD1 ILE A 44 -1.758 0.983 1.493 1.00 1.34 C ATOM 0 H ILE A 44 -3.732 3.507 3.900 1.00 64.21 H new ATOM 0 HA ILE A 44 -0.991 3.909 4.465 1.00 35.23 H new ATOM 0 HB ILE A 44 -2.533 3.688 1.833 1.00 53.31 H new ATOM 0 HG12 ILE A 44 -0.854 1.612 3.326 1.00 61.14 H new ATOM 0 HG13 ILE A 44 -2.605 1.678 3.330 1.00 61.14 H new ATOM 0 HG21 ILE A 44 -0.385 3.170 0.688 1.00 23.33 H new ATOM 0 HG22 ILE A 44 -0.430 4.830 1.327 1.00 23.33 H new ATOM 0 HG23 ILE A 44 0.494 3.572 2.182 1.00 23.33 H new ATOM 0 HD11 ILE A 44 -1.797 -0.060 1.806 1.00 1.34 H new ATOM 0 HD12 ILE A 44 -2.641 1.216 0.898 1.00 1.34 H new ATOM 0 HD13 ILE A 44 -0.862 1.150 0.894 1.00 1.34 H new ATOM 662 N GLU A 45 -2.609 6.392 2.926 1.00 13.53 N ATOM 663 CA GLU A 45 -2.587 7.776 2.405 1.00 14.52 C ATOM 664 C GLU A 45 -2.252 8.791 3.527 1.00 32.33 C ATOM 665 O GLU A 45 -1.452 9.690 3.308 1.00 21.42 O ATOM 666 CB GLU A 45 -3.949 8.100 1.699 1.00 50.01 C ATOM 667 CG GLU A 45 -3.930 9.229 0.628 1.00 20.20 C ATOM 668 CD GLU A 45 -4.071 10.655 1.204 1.00 30.31 C ATOM 669 OE1 GLU A 45 -5.221 11.133 1.361 1.00 64.40 O ATOM 670 OE2 GLU A 45 -3.044 11.314 1.482 1.00 45.11 O ATOM 0 H GLU A 45 -3.524 5.948 2.843 1.00 13.53 H new ATOM 0 HA GLU A 45 -1.795 7.864 1.662 1.00 14.52 H new ATOM 0 HB2 GLU A 45 -4.312 7.188 1.225 1.00 50.01 H new ATOM 0 HB3 GLU A 45 -4.674 8.371 2.466 1.00 50.01 H new ATOM 0 HG2 GLU A 45 -2.997 9.167 0.068 1.00 20.20 H new ATOM 0 HG3 GLU A 45 -4.739 9.055 -0.081 1.00 20.20 H new ATOM 677 N GLU A 46 -2.819 8.606 4.744 1.00 54.30 N ATOM 678 CA GLU A 46 -2.555 9.523 5.883 1.00 61.33 C ATOM 679 C GLU A 46 -1.071 9.461 6.334 1.00 23.03 C ATOM 680 O GLU A 46 -0.473 10.494 6.621 1.00 43.42 O ATOM 681 CB GLU A 46 -3.546 9.263 7.072 1.00 40.21 C ATOM 682 CG GLU A 46 -3.273 8.029 7.981 1.00 45.41 C ATOM 683 CD GLU A 46 -2.472 8.373 9.265 1.00 72.31 C ATOM 684 OE1 GLU A 46 -3.053 8.984 10.183 1.00 13.41 O ATOM 685 OE2 GLU A 46 -1.274 8.048 9.358 1.00 64.13 O ATOM 0 H GLU A 46 -3.455 7.839 4.962 1.00 54.30 H new ATOM 0 HA GLU A 46 -2.737 10.540 5.535 1.00 61.33 H new ATOM 0 HB2 GLU A 46 -3.553 10.151 7.704 1.00 40.21 H new ATOM 0 HB3 GLU A 46 -4.549 9.159 6.657 1.00 40.21 H new ATOM 0 HG2 GLU A 46 -4.224 7.579 8.265 1.00 45.41 H new ATOM 0 HG3 GLU A 46 -2.724 7.280 7.409 1.00 45.41 H new ATOM 692 N CYS A 47 -0.476 8.247 6.349 1.00 21.43 N ATOM 693 CA CYS A 47 0.933 8.042 6.780 1.00 23.33 C ATOM 694 C CYS A 47 1.932 8.683 5.787 1.00 21.23 C ATOM 695 O CYS A 47 2.838 9.428 6.195 1.00 45.12 O ATOM 696 CB CYS A 47 1.236 6.538 6.940 1.00 1.44 C ATOM 697 SG CYS A 47 0.188 5.674 8.133 1.00 40.25 S ATOM 0 H CYS A 47 -0.949 7.388 6.067 1.00 21.43 H new ATOM 0 HA CYS A 47 1.056 8.535 7.744 1.00 23.33 H new ATOM 0 HB2 CYS A 47 1.130 6.055 5.968 1.00 1.44 H new ATOM 0 HB3 CYS A 47 2.277 6.422 7.242 1.00 1.44 H new ATOM 0 HG CYS A 47 -0.611 6.525 8.705 1.00 40.25 H new ATOM 703 N ILE A 48 1.749 8.403 4.481 1.00 73.52 N ATOM 704 CA ILE A 48 2.578 9.003 3.406 1.00 32.15 C ATOM 705 C ILE A 48 2.322 10.539 3.292 1.00 65.44 C ATOM 706 O ILE A 48 3.191 11.286 2.854 1.00 41.53 O ATOM 707 CB ILE A 48 2.358 8.274 2.020 1.00 53.22 C ATOM 708 CG1 ILE A 48 3.369 8.772 0.929 1.00 13.04 C ATOM 709 CG2 ILE A 48 0.901 8.422 1.524 1.00 1.44 C ATOM 710 CD1 ILE A 48 3.256 8.058 -0.406 1.00 72.21 C ATOM 0 H ILE A 48 1.032 7.763 4.140 1.00 73.52 H new ATOM 0 HA ILE A 48 3.623 8.859 3.679 1.00 32.15 H new ATOM 0 HB ILE A 48 2.550 7.215 2.190 1.00 53.22 H new ATOM 0 HG12 ILE A 48 3.216 9.839 0.770 1.00 13.04 H new ATOM 0 HG13 ILE A 48 4.383 8.648 1.308 1.00 13.04 H new ATOM 0 HG21 ILE A 48 0.788 7.908 0.569 1.00 1.44 H new ATOM 0 HG22 ILE A 48 0.222 7.983 2.255 1.00 1.44 H new ATOM 0 HG23 ILE A 48 0.665 9.479 1.398 1.00 1.44 H new ATOM 0 HD11 ILE A 48 3.991 8.465 -1.100 1.00 72.21 H new ATOM 0 HD12 ILE A 48 3.440 6.993 -0.266 1.00 72.21 H new ATOM 0 HD13 ILE A 48 2.255 8.202 -0.812 1.00 72.21 H new ATOM 722 N PHE A 49 1.124 10.996 3.717 1.00 71.01 N ATOM 723 CA PHE A 49 0.780 12.438 3.760 1.00 34.44 C ATOM 724 C PHE A 49 1.511 13.176 4.921 1.00 14.30 C ATOM 725 O PHE A 49 1.933 14.324 4.771 1.00 3.33 O ATOM 726 CB PHE A 49 -0.756 12.634 3.856 1.00 5.43 C ATOM 727 CG PHE A 49 -1.212 14.099 3.890 1.00 0.41 C ATOM 728 CD1 PHE A 49 -0.984 14.945 2.799 1.00 73.42 C ATOM 729 CD2 PHE A 49 -1.848 14.632 5.014 1.00 60.35 C ATOM 730 CE1 PHE A 49 -1.376 16.271 2.832 1.00 34.32 C ATOM 731 CE2 PHE A 49 -2.244 15.957 5.043 1.00 11.21 C ATOM 732 CZ PHE A 49 -2.005 16.774 3.956 1.00 65.33 C ATOM 0 H PHE A 49 0.373 10.384 4.037 1.00 71.01 H new ATOM 0 HA PHE A 49 1.126 12.884 2.828 1.00 34.44 H new ATOM 0 HB2 PHE A 49 -1.226 12.141 3.005 1.00 5.43 H new ATOM 0 HB3 PHE A 49 -1.118 12.134 4.754 1.00 5.43 H new ATOM 0 HD1 PHE A 49 -0.495 14.557 1.918 1.00 73.42 H new ATOM 0 HD2 PHE A 49 -2.033 14.001 5.871 1.00 60.35 H new ATOM 0 HE1 PHE A 49 -1.191 16.912 1.982 1.00 34.32 H new ATOM 0 HE2 PHE A 49 -2.741 16.353 5.917 1.00 11.21 H new ATOM 0 HZ PHE A 49 -2.310 17.810 3.984 1.00 65.33 H new ATOM 742 N ARG A 50 1.666 12.509 6.068 1.00 74.32 N ATOM 743 CA ARG A 50 2.364 13.082 7.248 1.00 31.34 C ATOM 744 C ARG A 50 3.887 13.220 7.004 1.00 30.11 C ATOM 745 O ARG A 50 4.509 14.187 7.454 1.00 11.41 O ATOM 746 CB ARG A 50 2.068 12.208 8.494 1.00 75.40 C ATOM 747 CG ARG A 50 0.587 12.258 8.945 1.00 45.02 C ATOM 748 CD ARG A 50 0.197 11.108 9.882 1.00 3.15 C ATOM 749 NE ARG A 50 0.963 11.093 11.135 1.00 13.33 N ATOM 750 CZ ARG A 50 0.791 10.224 12.107 1.00 4.21 C ATOM 751 NH1 ARG A 50 -0.051 9.242 11.990 1.00 75.42 N ATOM 752 NH2 ARG A 50 1.476 10.331 13.188 1.00 0.23 N ATOM 0 H ARG A 50 1.318 11.562 6.216 1.00 74.32 H new ATOM 0 HA ARG A 50 1.986 14.090 7.421 1.00 31.34 H new ATOM 0 HB2 ARG A 50 2.339 11.175 8.276 1.00 75.40 H new ATOM 0 HB3 ARG A 50 2.702 12.537 9.318 1.00 75.40 H new ATOM 0 HG2 ARG A 50 0.400 13.207 9.448 1.00 45.02 H new ATOM 0 HG3 ARG A 50 -0.055 12.233 8.064 1.00 45.02 H new ATOM 0 HD2 ARG A 50 -0.865 11.183 10.115 1.00 3.15 H new ATOM 0 HD3 ARG A 50 0.344 10.161 9.363 1.00 3.15 H new ATOM 0 HE ARG A 50 1.680 11.808 11.260 1.00 13.33 H new ATOM 0 HH11 ARG A 50 -0.593 9.134 11.133 1.00 75.42 H new ATOM 0 HH12 ARG A 50 -0.170 8.578 12.755 1.00 75.42 H new ATOM 0 HH21 ARG A 50 2.151 11.088 13.291 1.00 0.23 H new ATOM 0 HH22 ARG A 50 1.345 9.659 13.944 1.00 0.23 H new ATOM 766 N ASP A 51 4.473 12.249 6.286 1.00 75.34 N ATOM 767 CA ASP A 51 5.928 12.208 6.011 1.00 63.02 C ATOM 768 C ASP A 51 6.294 12.983 4.708 1.00 23.35 C ATOM 769 O ASP A 51 7.135 13.887 4.706 1.00 54.14 O ATOM 770 CB ASP A 51 6.363 10.724 5.919 1.00 34.54 C ATOM 771 CG ASP A 51 7.884 10.526 5.902 1.00 41.32 C ATOM 772 OD1 ASP A 51 8.518 10.690 6.967 1.00 71.12 O ATOM 773 OD2 ASP A 51 8.453 10.184 4.841 1.00 11.43 O ATOM 0 H ASP A 51 3.957 11.469 5.878 1.00 75.34 H new ATOM 0 HA ASP A 51 6.462 12.704 6.822 1.00 63.02 H new ATOM 0 HB2 ASP A 51 5.944 10.179 6.765 1.00 34.54 H new ATOM 0 HB3 ASP A 51 5.939 10.286 5.016 1.00 34.54 H new ATOM 778 N VAL A 52 5.625 12.609 3.613 1.00 12.12 N ATOM 779 CA VAL A 52 5.959 13.054 2.227 1.00 33.11 C ATOM 780 C VAL A 52 4.886 14.008 1.644 1.00 42.14 C ATOM 781 O VAL A 52 5.080 14.565 0.571 1.00 0.01 O ATOM 782 CB VAL A 52 6.115 11.811 1.259 1.00 25.11 C ATOM 783 CG1 VAL A 52 6.784 12.195 -0.074 1.00 71.54 C ATOM 784 CG2 VAL A 52 6.886 10.670 1.928 1.00 25.41 C ATOM 0 H VAL A 52 4.823 11.980 3.649 1.00 12.12 H new ATOM 0 HA VAL A 52 6.903 13.594 2.296 1.00 33.11 H new ATOM 0 HB VAL A 52 5.106 11.463 1.039 1.00 25.11 H new ATOM 0 HG11 VAL A 52 6.870 11.311 -0.706 1.00 71.54 H new ATOM 0 HG12 VAL A 52 6.179 12.946 -0.582 1.00 71.54 H new ATOM 0 HG13 VAL A 52 7.777 12.600 0.121 1.00 71.54 H new ATOM 0 HG21 VAL A 52 6.974 9.834 1.234 1.00 25.41 H new ATOM 0 HG22 VAL A 52 7.881 11.017 2.205 1.00 25.41 H new ATOM 0 HG23 VAL A 52 6.353 10.345 2.822 1.00 25.41 H new ATOM 794 N GLY A 53 3.754 14.170 2.343 1.00 54.33 N ATOM 795 CA GLY A 53 2.545 14.815 1.790 1.00 42.31 C ATOM 796 C GLY A 53 2.609 16.301 1.416 1.00 51.10 C ATOM 797 O GLY A 53 1.552 16.943 1.311 1.00 31.30 O ATOM 0 H GLY A 53 3.646 13.859 3.308 1.00 54.33 H new ATOM 0 HA2 GLY A 53 2.254 14.262 0.897 1.00 42.31 H new ATOM 0 HA3 GLY A 53 1.742 14.691 2.517 1.00 42.31 H new ATOM 801 N ASN A 54 3.815 16.866 1.217 1.00 24.42 N ATOM 802 CA ASN A 54 3.979 18.088 0.411 1.00 64.43 C ATOM 803 C ASN A 54 3.611 17.757 -1.066 1.00 42.21 C ATOM 804 O ASN A 54 4.447 17.282 -1.844 1.00 63.12 O ATOM 805 CB ASN A 54 5.412 18.719 0.568 1.00 13.44 C ATOM 806 CG ASN A 54 6.621 17.753 0.579 1.00 43.32 C ATOM 807 OD1 ASN A 54 6.568 16.638 -0.114 1.00 63.34 O flip ATOM 808 ND2 ASN A 54 7.623 18.019 1.229 1.00 60.34 N flip ATOM 0 H ASN A 54 4.685 16.497 1.601 1.00 24.42 H new ATOM 0 HA ASN A 54 3.301 18.860 0.774 1.00 64.43 H new ATOM 0 HB2 ASN A 54 5.557 19.430 -0.245 1.00 13.44 H new ATOM 0 HB3 ASN A 54 5.429 19.289 1.497 1.00 13.44 H new ATOM 0 HD21 ASN A 54 7.667 18.884 1.768 1.00 60.34 H new ATOM 0 HD22 ASN A 54 8.415 17.376 1.232 1.00 60.34 H new ATOM 815 N THR A 55 2.311 17.953 -1.400 1.00 73.54 N ATOM 816 CA THR A 55 1.687 17.459 -2.664 1.00 41.05 C ATOM 817 C THR A 55 2.417 17.935 -3.941 1.00 62.22 C ATOM 818 O THR A 55 2.324 17.290 -4.984 1.00 23.40 O ATOM 819 CB THR A 55 0.155 17.814 -2.725 1.00 2.12 C ATOM 820 OG1 THR A 55 -0.424 17.342 -3.950 1.00 75.52 O ATOM 821 CG2 THR A 55 -0.113 19.321 -2.579 1.00 33.40 C ATOM 0 H THR A 55 1.659 18.460 -0.801 1.00 73.54 H new ATOM 0 HA THR A 55 1.792 16.374 -2.641 1.00 41.05 H new ATOM 0 HB THR A 55 -0.311 17.313 -1.877 1.00 2.12 H new ATOM 0 HG1 THR A 55 -1.377 17.570 -3.971 1.00 75.52 H new ATOM 0 HG21 THR A 55 -1.186 19.506 -2.629 1.00 33.40 H new ATOM 0 HG22 THR A 55 0.271 19.668 -1.620 1.00 33.40 H new ATOM 0 HG23 THR A 55 0.386 19.859 -3.385 1.00 33.40 H new ATOM 829 N ASP A 56 3.153 19.052 -3.838 1.00 71.03 N ATOM 830 CA ASP A 56 4.083 19.505 -4.886 1.00 71.22 C ATOM 831 C ASP A 56 5.256 18.497 -5.064 1.00 51.54 C ATOM 832 O ASP A 56 6.034 18.290 -4.125 1.00 23.22 O ATOM 833 CB ASP A 56 4.634 20.907 -4.517 1.00 23.31 C ATOM 834 CG ASP A 56 5.594 21.480 -5.572 1.00 74.41 C ATOM 835 OD1 ASP A 56 5.130 21.822 -6.679 1.00 54.20 O ATOM 836 OD2 ASP A 56 6.816 21.573 -5.307 1.00 63.13 O ATOM 0 H ASP A 56 3.121 19.668 -3.025 1.00 71.03 H new ATOM 0 HA ASP A 56 3.543 19.563 -5.831 1.00 71.22 H new ATOM 0 HB2 ASP A 56 3.799 21.595 -4.384 1.00 23.31 H new ATOM 0 HB3 ASP A 56 5.152 20.846 -3.560 1.00 23.31 H new ATOM 841 N MET A 57 5.332 17.869 -6.258 1.00 20.42 N ATOM 842 CA MET A 57 6.486 17.049 -6.720 1.00 50.54 C ATOM 843 C MET A 57 6.697 15.727 -5.916 1.00 71.53 C ATOM 844 O MET A 57 6.337 14.639 -6.389 1.00 33.10 O ATOM 845 CB MET A 57 7.788 17.921 -6.755 1.00 10.04 C ATOM 846 CG MET A 57 9.063 17.196 -7.226 1.00 22.42 C ATOM 847 SD MET A 57 10.540 18.231 -7.101 1.00 73.01 S ATOM 848 CE MET A 57 11.834 17.084 -7.591 1.00 62.42 C ATOM 0 H MET A 57 4.580 17.916 -6.946 1.00 20.42 H new ATOM 0 HA MET A 57 6.246 16.721 -7.731 1.00 50.54 H new ATOM 0 HB2 MET A 57 7.614 18.775 -7.410 1.00 10.04 H new ATOM 0 HB3 MET A 57 7.965 18.317 -5.755 1.00 10.04 H new ATOM 0 HG2 MET A 57 9.205 16.294 -6.630 1.00 22.42 H new ATOM 0 HG3 MET A 57 8.934 16.877 -8.260 1.00 22.42 H new ATOM 0 HE1 MET A 57 12.799 17.589 -7.559 1.00 62.42 H new ATOM 0 HE2 MET A 57 11.846 16.235 -6.907 1.00 62.42 H new ATOM 0 HE3 MET A 57 11.643 16.731 -8.604 1.00 62.42 H new ATOM 858 N LYS A 58 7.272 15.853 -4.700 1.00 51.43 N ATOM 859 CA LYS A 58 7.808 14.722 -3.901 1.00 54.41 C ATOM 860 C LYS A 58 6.745 13.634 -3.588 1.00 4.24 C ATOM 861 O LYS A 58 6.992 12.438 -3.795 1.00 32.30 O ATOM 862 CB LYS A 58 8.420 15.287 -2.587 1.00 14.12 C ATOM 863 CG LYS A 58 9.209 14.270 -1.731 1.00 71.34 C ATOM 864 CD LYS A 58 9.737 14.886 -0.405 1.00 3.53 C ATOM 865 CE LYS A 58 10.328 13.832 0.550 1.00 62.11 C ATOM 866 NZ LYS A 58 11.473 13.096 -0.051 1.00 22.42 N ATOM 0 H LYS A 58 7.380 16.755 -4.237 1.00 51.43 H new ATOM 0 HA LYS A 58 8.573 14.224 -4.497 1.00 54.41 H new ATOM 0 HB2 LYS A 58 9.083 16.114 -2.841 1.00 14.12 H new ATOM 0 HB3 LYS A 58 7.615 15.700 -1.979 1.00 14.12 H new ATOM 0 HG2 LYS A 58 8.568 13.419 -1.502 1.00 71.34 H new ATOM 0 HG3 LYS A 58 10.050 13.889 -2.310 1.00 71.34 H new ATOM 0 HD2 LYS A 58 10.500 15.630 -0.634 1.00 3.53 H new ATOM 0 HD3 LYS A 58 8.923 15.408 0.097 1.00 3.53 H new ATOM 0 HE2 LYS A 58 10.656 14.321 1.467 1.00 62.11 H new ATOM 0 HE3 LYS A 58 9.550 13.122 0.828 1.00 62.11 H new ATOM 0 HZ1 LYS A 58 11.834 12.399 0.631 1.00 22.42 H new ATOM 0 HZ2 LYS A 58 11.157 12.606 -0.912 1.00 22.42 H new ATOM 0 HZ3 LYS A 58 12.229 13.768 -0.293 1.00 22.42 H new ATOM 880 N TYR A 59 5.567 14.069 -3.096 1.00 75.41 N ATOM 881 CA TYR A 59 4.448 13.164 -2.729 1.00 33.11 C ATOM 882 C TYR A 59 3.950 12.321 -3.930 1.00 54.42 C ATOM 883 O TYR A 59 3.803 11.109 -3.801 1.00 75.25 O ATOM 884 CB TYR A 59 3.302 13.999 -2.093 1.00 0.21 C ATOM 885 CG TYR A 59 1.963 13.265 -1.854 1.00 50.54 C ATOM 886 CD1 TYR A 59 1.836 12.272 -0.870 1.00 31.13 C ATOM 887 CD2 TYR A 59 0.820 13.572 -2.610 1.00 4.51 C ATOM 888 CE1 TYR A 59 0.631 11.621 -0.658 1.00 22.12 C ATOM 889 CE2 TYR A 59 -0.382 12.921 -2.398 1.00 73.34 C ATOM 890 CZ TYR A 59 -0.473 11.951 -1.423 1.00 62.41 C ATOM 891 OH TYR A 59 -1.670 11.304 -1.223 1.00 0.12 O ATOM 0 H TYR A 59 5.360 15.056 -2.940 1.00 75.41 H new ATOM 0 HA TYR A 59 4.813 12.444 -1.997 1.00 33.11 H new ATOM 0 HB2 TYR A 59 3.653 14.387 -1.137 1.00 0.21 H new ATOM 0 HB3 TYR A 59 3.110 14.859 -2.735 1.00 0.21 H new ATOM 0 HD1 TYR A 59 2.693 12.011 -0.267 1.00 31.13 H new ATOM 0 HD2 TYR A 59 0.881 14.333 -3.374 1.00 4.51 H new ATOM 0 HE1 TYR A 59 0.554 10.858 0.103 1.00 22.12 H new ATOM 0 HE2 TYR A 59 -1.247 13.172 -2.995 1.00 73.34 H new ATOM 0 HH TYR A 59 -1.952 11.419 -0.292 1.00 0.12 H new ATOM 901 N LYS A 60 3.751 12.977 -5.094 1.00 31.42 N ATOM 902 CA LYS A 60 3.229 12.332 -6.334 1.00 15.31 C ATOM 903 C LYS A 60 4.091 11.113 -6.768 1.00 74.42 C ATOM 904 O LYS A 60 3.561 10.035 -7.083 1.00 52.11 O ATOM 905 CB LYS A 60 3.186 13.374 -7.485 1.00 13.00 C ATOM 906 CG LYS A 60 2.310 14.614 -7.198 1.00 53.33 C ATOM 907 CD LYS A 60 2.393 15.669 -8.328 1.00 35.13 C ATOM 908 CE LYS A 60 1.546 16.920 -8.049 1.00 3.31 C ATOM 909 NZ LYS A 60 1.757 17.975 -9.075 1.00 31.22 N ATOM 0 H LYS A 60 3.946 13.972 -5.208 1.00 31.42 H new ATOM 0 HA LYS A 60 2.225 11.967 -6.117 1.00 15.31 H new ATOM 0 HB2 LYS A 60 4.203 13.705 -7.696 1.00 13.00 H new ATOM 0 HB3 LYS A 60 2.816 12.885 -8.386 1.00 13.00 H new ATOM 0 HG2 LYS A 60 1.273 14.302 -7.071 1.00 53.33 H new ATOM 0 HG3 LYS A 60 2.623 15.067 -6.258 1.00 53.33 H new ATOM 0 HD2 LYS A 60 3.433 15.965 -8.465 1.00 35.13 H new ATOM 0 HD3 LYS A 60 2.065 15.217 -9.264 1.00 35.13 H new ATOM 0 HE2 LYS A 60 0.491 16.645 -8.023 1.00 3.31 H new ATOM 0 HE3 LYS A 60 1.797 17.316 -7.065 1.00 3.31 H new ATOM 0 HZ1 LYS A 60 1.167 18.801 -8.850 1.00 31.22 H new ATOM 0 HZ2 LYS A 60 2.758 18.256 -9.083 1.00 31.22 H new ATOM 0 HZ3 LYS A 60 1.493 17.607 -10.011 1.00 31.22 H new ATOM 923 N ASN A 61 5.424 11.306 -6.760 1.00 34.31 N ATOM 924 CA ASN A 61 6.401 10.263 -7.153 1.00 11.15 C ATOM 925 C ASN A 61 6.504 9.146 -6.079 1.00 51.45 C ATOM 926 O ASN A 61 6.716 7.969 -6.407 1.00 12.04 O ATOM 927 CB ASN A 61 7.786 10.922 -7.402 1.00 34.12 C ATOM 928 CG ASN A 61 8.832 9.951 -7.966 1.00 13.41 C ATOM 929 OD1 ASN A 61 9.592 9.334 -7.226 1.00 32.42 O ATOM 930 ND2 ASN A 61 8.866 9.787 -9.273 1.00 3.10 N ATOM 0 H ASN A 61 5.857 12.187 -6.482 1.00 34.31 H new ATOM 0 HA ASN A 61 6.056 9.791 -8.073 1.00 11.15 H new ATOM 0 HB2 ASN A 61 7.664 11.755 -8.094 1.00 34.12 H new ATOM 0 HB3 ASN A 61 8.156 11.338 -6.465 1.00 34.12 H new ATOM 0 HD21 ASN A 61 9.533 9.137 -9.688 1.00 3.10 H new ATOM 0 HD22 ASN A 61 8.225 10.310 -9.869 1.00 3.10 H new ATOM 937 N ARG A 62 6.338 9.529 -4.799 1.00 44.41 N ATOM 938 CA ARG A 62 6.449 8.594 -3.653 1.00 24.32 C ATOM 939 C ARG A 62 5.205 7.681 -3.521 1.00 22.22 C ATOM 940 O ARG A 62 5.295 6.571 -2.977 1.00 1.34 O ATOM 941 CB ARG A 62 6.689 9.384 -2.348 1.00 73.43 C ATOM 942 CG ARG A 62 7.137 8.527 -1.137 1.00 13.42 C ATOM 943 CD ARG A 62 8.469 7.805 -1.387 1.00 52.22 C ATOM 944 NE ARG A 62 8.963 7.104 -0.188 1.00 73.41 N ATOM 945 CZ ARG A 62 9.883 6.164 -0.182 1.00 73.11 C ATOM 946 NH1 ARG A 62 10.379 5.693 -1.288 1.00 71.21 N ATOM 947 NH2 ARG A 62 10.305 5.693 0.945 1.00 13.41 N ATOM 0 H ARG A 62 6.124 10.488 -4.526 1.00 44.41 H new ATOM 0 HA ARG A 62 7.302 7.942 -3.839 1.00 24.32 H new ATOM 0 HB2 ARG A 62 7.447 10.145 -2.536 1.00 73.43 H new ATOM 0 HB3 ARG A 62 5.770 9.907 -2.084 1.00 73.43 H new ATOM 0 HG2 ARG A 62 7.233 9.166 -0.260 1.00 13.42 H new ATOM 0 HG3 ARG A 62 6.365 7.791 -0.912 1.00 13.42 H new ATOM 0 HD2 ARG A 62 8.343 7.087 -2.198 1.00 52.22 H new ATOM 0 HD3 ARG A 62 9.215 8.529 -1.715 1.00 52.22 H new ATOM 0 HE ARG A 62 8.559 7.369 0.710 1.00 73.41 H new ATOM 0 HH11 ARG A 62 10.055 6.053 -2.186 1.00 71.21 H new ATOM 0 HH12 ARG A 62 11.092 4.964 -1.258 1.00 71.21 H new ATOM 0 HH21 ARG A 62 9.925 6.050 1.821 1.00 13.41 H new ATOM 0 HH22 ARG A 62 11.018 4.964 0.958 1.00 13.41 H new ATOM 961 N VAL A 63 4.041 8.162 -4.005 1.00 10.13 N ATOM 962 CA VAL A 63 2.830 7.321 -4.129 1.00 31.20 C ATOM 963 C VAL A 63 3.112 6.139 -5.087 1.00 71.33 C ATOM 964 O VAL A 63 2.739 5.001 -4.800 1.00 21.12 O ATOM 965 CB VAL A 63 1.574 8.149 -4.618 1.00 24.02 C ATOM 966 CG1 VAL A 63 0.334 7.247 -4.844 1.00 50.45 C ATOM 967 CG2 VAL A 63 1.231 9.282 -3.623 1.00 24.40 C ATOM 0 H VAL A 63 3.913 9.125 -4.316 1.00 10.13 H new ATOM 0 HA VAL A 63 2.588 6.936 -3.138 1.00 31.20 H new ATOM 0 HB VAL A 63 1.845 8.592 -5.576 1.00 24.02 H new ATOM 0 HG11 VAL A 63 -0.504 7.858 -5.179 1.00 50.45 H new ATOM 0 HG12 VAL A 63 0.562 6.498 -5.602 1.00 50.45 H new ATOM 0 HG13 VAL A 63 0.070 6.750 -3.910 1.00 50.45 H new ATOM 0 HG21 VAL A 63 0.364 9.834 -3.985 1.00 24.40 H new ATOM 0 HG22 VAL A 63 1.006 8.853 -2.647 1.00 24.40 H new ATOM 0 HG23 VAL A 63 2.081 9.959 -3.535 1.00 24.40 H new ATOM 977 N ARG A 64 3.842 6.425 -6.195 1.00 1.02 N ATOM 978 CA ARG A 64 4.251 5.391 -7.179 1.00 24.50 C ATOM 979 C ARG A 64 5.237 4.371 -6.554 1.00 32.41 C ATOM 980 O ARG A 64 5.251 3.208 -6.948 1.00 60.52 O ATOM 981 CB ARG A 64 4.900 6.021 -8.439 1.00 33.21 C ATOM 982 CG ARG A 64 4.124 7.198 -9.074 1.00 65.22 C ATOM 983 CD ARG A 64 4.637 7.550 -10.489 1.00 41.12 C ATOM 984 NE ARG A 64 6.112 7.652 -10.568 1.00 61.44 N ATOM 985 CZ ARG A 64 6.797 7.915 -11.667 1.00 21.34 C ATOM 986 NH1 ARG A 64 6.204 8.195 -12.788 1.00 0.41 N ATOM 987 NH2 ARG A 64 8.083 7.896 -11.640 1.00 10.23 N ATOM 0 H ARG A 64 4.160 7.365 -6.429 1.00 1.02 H new ATOM 0 HA ARG A 64 3.340 4.871 -7.475 1.00 24.50 H new ATOM 0 HB2 ARG A 64 5.899 6.368 -8.176 1.00 33.21 H new ATOM 0 HB3 ARG A 64 5.021 5.242 -9.191 1.00 33.21 H new ATOM 0 HG2 ARG A 64 3.065 6.944 -9.128 1.00 65.22 H new ATOM 0 HG3 ARG A 64 4.210 8.074 -8.431 1.00 65.22 H new ATOM 0 HD2 ARG A 64 4.294 6.791 -11.192 1.00 41.12 H new ATOM 0 HD3 ARG A 64 4.197 8.497 -10.803 1.00 41.12 H new ATOM 0 HE ARG A 64 6.640 7.508 -9.707 1.00 61.44 H new ATOM 0 HH11 ARG A 64 5.185 8.216 -12.835 1.00 0.41 H new ATOM 0 HH12 ARG A 64 6.757 8.394 -13.622 1.00 0.41 H new ATOM 0 HH21 ARG A 64 8.572 7.678 -10.772 1.00 10.23 H new ATOM 0 HH22 ARG A 64 8.614 8.099 -12.487 1.00 10.23 H new ATOM 1001 N SER A 65 6.061 4.827 -5.582 1.00 1.42 N ATOM 1002 CA SER A 65 6.976 3.933 -4.814 1.00 65.02 C ATOM 1003 C SER A 65 6.181 2.845 -4.042 1.00 5.11 C ATOM 1004 O SER A 65 6.646 1.718 -3.881 1.00 15.25 O ATOM 1005 CB SER A 65 7.837 4.748 -3.815 1.00 62.54 C ATOM 1006 OG SER A 65 8.596 5.760 -4.459 1.00 32.10 O ATOM 0 H SER A 65 6.115 5.808 -5.307 1.00 1.42 H new ATOM 0 HA SER A 65 7.632 3.445 -5.535 1.00 65.02 H new ATOM 0 HB2 SER A 65 7.188 5.204 -3.067 1.00 62.54 H new ATOM 0 HB3 SER A 65 8.510 4.074 -3.285 1.00 62.54 H new ATOM 0 HG SER A 65 9.531 5.702 -4.170 1.00 32.10 H new ATOM 1012 N ARG A 66 4.979 3.210 -3.566 1.00 0.15 N ATOM 1013 CA ARG A 66 4.052 2.270 -2.897 1.00 24.33 C ATOM 1014 C ARG A 66 3.397 1.325 -3.924 1.00 71.34 C ATOM 1015 O ARG A 66 3.511 0.109 -3.804 1.00 13.21 O ATOM 1016 CB ARG A 66 2.978 3.069 -2.111 1.00 12.44 C ATOM 1017 CG ARG A 66 3.562 3.952 -0.986 1.00 50.21 C ATOM 1018 CD ARG A 66 4.207 3.105 0.137 1.00 41.42 C ATOM 1019 NE ARG A 66 5.266 3.831 0.859 1.00 11.14 N ATOM 1020 CZ ARG A 66 6.284 3.257 1.465 1.00 21.22 C ATOM 1021 NH1 ARG A 66 6.395 1.967 1.493 1.00 30.21 N ATOM 1022 NH2 ARG A 66 7.182 3.976 2.053 1.00 23.54 N ATOM 0 H ARG A 66 4.619 4.162 -3.632 1.00 0.15 H new ATOM 0 HA ARG A 66 4.614 1.654 -2.195 1.00 24.33 H new ATOM 0 HB2 ARG A 66 2.426 3.700 -2.807 1.00 12.44 H new ATOM 0 HB3 ARG A 66 2.262 2.370 -1.678 1.00 12.44 H new ATOM 0 HG2 ARG A 66 4.308 4.627 -1.405 1.00 50.21 H new ATOM 0 HG3 ARG A 66 2.771 4.572 -0.564 1.00 50.21 H new ATOM 0 HD2 ARG A 66 3.436 2.798 0.844 1.00 41.42 H new ATOM 0 HD3 ARG A 66 4.625 2.195 -0.294 1.00 41.42 H new ATOM 0 HE ARG A 66 5.206 4.849 0.892 1.00 11.14 H new ATOM 0 HH11 ARG A 66 5.689 1.384 1.042 1.00 30.21 H new ATOM 0 HH12 ARG A 66 7.188 1.534 1.966 1.00 30.21 H new ATOM 0 HH21 ARG A 66 7.104 4.993 2.049 1.00 23.54 H new ATOM 0 HH22 ARG A 66 7.969 3.527 2.521 1.00 23.54 H new ATOM 1036 N ILE A 67 2.764 1.926 -4.954 1.00 55.11 N ATOM 1037 CA ILE A 67 1.999 1.206 -6.010 1.00 55.30 C ATOM 1038 C ILE A 67 2.850 0.125 -6.717 1.00 30.11 C ATOM 1039 O ILE A 67 2.490 -1.055 -6.709 1.00 4.54 O ATOM 1040 CB ILE A 67 1.482 2.218 -7.104 1.00 44.43 C ATOM 1041 CG1 ILE A 67 0.624 3.349 -6.472 1.00 25.21 C ATOM 1042 CG2 ILE A 67 0.690 1.497 -8.230 1.00 35.11 C ATOM 1043 CD1 ILE A 67 0.382 4.519 -7.403 1.00 72.22 C ATOM 0 H ILE A 67 2.766 2.938 -5.083 1.00 55.11 H new ATOM 0 HA ILE A 67 1.162 0.721 -5.508 1.00 55.30 H new ATOM 0 HB ILE A 67 2.364 2.672 -7.555 1.00 44.43 H new ATOM 0 HG12 ILE A 67 -0.337 2.936 -6.164 1.00 25.21 H new ATOM 0 HG13 ILE A 67 1.120 3.709 -5.571 1.00 25.21 H new ATOM 0 HG21 ILE A 67 0.352 2.229 -8.963 1.00 35.11 H new ATOM 0 HG22 ILE A 67 1.335 0.766 -8.718 1.00 35.11 H new ATOM 0 HG23 ILE A 67 -0.173 0.989 -7.800 1.00 35.11 H new ATOM 0 HD11 ILE A 67 -0.224 5.269 -6.895 1.00 72.22 H new ATOM 0 HD12 ILE A 67 1.337 4.958 -7.691 1.00 72.22 H new ATOM 0 HD13 ILE A 67 -0.142 4.173 -8.294 1.00 72.22 H new ATOM 1055 N SER A 68 3.983 0.573 -7.304 1.00 63.30 N ATOM 1056 CA SER A 68 4.893 -0.267 -8.123 1.00 44.20 C ATOM 1057 C SER A 68 5.389 -1.506 -7.356 1.00 1.22 C ATOM 1058 O SER A 68 5.441 -2.600 -7.915 1.00 72.11 O ATOM 1059 CB SER A 68 6.102 0.576 -8.615 1.00 33.31 C ATOM 1060 OG SER A 68 6.954 -0.173 -9.474 1.00 2.14 O ATOM 0 H SER A 68 4.297 1.540 -7.222 1.00 63.30 H new ATOM 0 HA SER A 68 4.323 -0.622 -8.981 1.00 44.20 H new ATOM 0 HB2 SER A 68 5.739 1.458 -9.142 1.00 33.31 H new ATOM 0 HB3 SER A 68 6.672 0.930 -7.756 1.00 33.31 H new ATOM 0 HG SER A 68 7.702 0.390 -9.765 1.00 2.14 H new ATOM 1066 N ASN A 69 5.726 -1.308 -6.071 1.00 2.45 N ATOM 1067 CA ASN A 69 6.198 -2.387 -5.174 1.00 33.14 C ATOM 1068 C ASN A 69 5.050 -3.309 -4.686 1.00 31.01 C ATOM 1069 O ASN A 69 5.279 -4.504 -4.457 1.00 22.12 O ATOM 1070 CB ASN A 69 6.974 -1.771 -3.986 1.00 54.44 C ATOM 1071 CG ASN A 69 8.319 -1.175 -4.423 1.00 15.44 C ATOM 1072 OD1 ASN A 69 8.711 -0.059 -3.855 1.00 34.44 O flip ATOM 1073 ND2 ASN A 69 8.986 -1.702 -5.300 1.00 15.20 N flip ATOM 0 H ASN A 69 5.680 -0.394 -5.620 1.00 2.45 H new ATOM 0 HA ASN A 69 6.868 -3.028 -5.747 1.00 33.14 H new ATOM 0 HB2 ASN A 69 6.367 -0.994 -3.521 1.00 54.44 H new ATOM 0 HB3 ASN A 69 7.146 -2.537 -3.229 1.00 54.44 H new ATOM 0 HD21 ASN A 69 8.667 -2.570 -5.731 1.00 15.20 H new ATOM 0 HD22 ASN A 69 9.862 -1.275 -5.601 1.00 15.20 H new ATOM 1080 N LEU A 70 3.818 -2.769 -4.558 1.00 64.11 N ATOM 1081 CA LEU A 70 2.638 -3.566 -4.133 1.00 11.45 C ATOM 1082 C LEU A 70 2.267 -4.587 -5.220 1.00 43.11 C ATOM 1083 O LEU A 70 2.066 -5.762 -4.935 1.00 34.22 O ATOM 1084 CB LEU A 70 1.421 -2.642 -3.821 1.00 51.23 C ATOM 1085 CG LEU A 70 1.439 -1.914 -2.433 1.00 31.02 C ATOM 1086 CD1 LEU A 70 0.355 -0.812 -2.346 1.00 12.13 C ATOM 1087 CD2 LEU A 70 1.282 -2.930 -1.280 1.00 4.22 C ATOM 0 H LEU A 70 3.611 -1.787 -4.742 1.00 64.11 H new ATOM 0 HA LEU A 70 2.900 -4.101 -3.220 1.00 11.45 H new ATOM 0 HB2 LEU A 70 1.357 -1.886 -4.603 1.00 51.23 H new ATOM 0 HB3 LEU A 70 0.512 -3.241 -3.881 1.00 51.23 H new ATOM 0 HG LEU A 70 2.408 -1.425 -2.334 1.00 31.02 H new ATOM 0 HD11 LEU A 70 0.402 -0.332 -1.368 1.00 12.13 H new ATOM 0 HD12 LEU A 70 0.529 -0.068 -3.124 1.00 12.13 H new ATOM 0 HD13 LEU A 70 -0.630 -1.258 -2.485 1.00 12.13 H new ATOM 0 HD21 LEU A 70 1.297 -2.403 -0.326 1.00 4.22 H new ATOM 0 HD22 LEU A 70 0.335 -3.459 -1.387 1.00 4.22 H new ATOM 0 HD23 LEU A 70 2.103 -3.646 -1.312 1.00 4.22 H new ATOM 1099 N LYS A 71 2.235 -4.105 -6.469 1.00 40.25 N ATOM 1100 CA LYS A 71 1.852 -4.896 -7.666 1.00 2.03 C ATOM 1101 C LYS A 71 3.061 -5.665 -8.272 1.00 40.43 C ATOM 1102 O LYS A 71 2.914 -6.340 -9.302 1.00 14.43 O ATOM 1103 CB LYS A 71 1.247 -3.924 -8.720 1.00 54.42 C ATOM 1104 CG LYS A 71 2.268 -2.906 -9.303 1.00 41.42 C ATOM 1105 CD LYS A 71 1.607 -1.699 -10.006 1.00 23.52 C ATOM 1106 CE LYS A 71 0.673 -2.112 -11.139 1.00 14.52 C ATOM 1107 NZ LYS A 71 0.060 -0.936 -11.816 1.00 32.31 N ATOM 0 H LYS A 71 2.477 -3.139 -6.689 1.00 40.25 H new ATOM 0 HA LYS A 71 1.120 -5.647 -7.371 1.00 2.03 H new ATOM 0 HB2 LYS A 71 0.825 -4.508 -9.538 1.00 54.42 H new ATOM 0 HB3 LYS A 71 0.424 -3.375 -8.263 1.00 54.42 H new ATOM 0 HG2 LYS A 71 2.905 -2.542 -8.497 1.00 41.42 H new ATOM 0 HG3 LYS A 71 2.915 -3.420 -10.014 1.00 41.42 H new ATOM 0 HD2 LYS A 71 1.046 -1.120 -9.272 1.00 23.52 H new ATOM 0 HD3 LYS A 71 2.384 -1.045 -10.402 1.00 23.52 H new ATOM 0 HE2 LYS A 71 1.228 -2.702 -11.869 1.00 14.52 H new ATOM 0 HE3 LYS A 71 -0.115 -2.753 -10.744 1.00 14.52 H new ATOM 0 HZ1 LYS A 71 -0.567 -1.262 -12.579 1.00 32.31 H new ATOM 0 HZ2 LYS A 71 -0.491 -0.387 -11.126 1.00 32.31 H new ATOM 0 HZ3 LYS A 71 0.809 -0.336 -12.217 1.00 32.31 H new ATOM 1121 N ASP A 72 4.236 -5.593 -7.606 1.00 13.41 N ATOM 1122 CA ASP A 72 5.520 -6.082 -8.154 1.00 24.13 C ATOM 1123 C ASP A 72 5.617 -7.634 -8.173 1.00 45.44 C ATOM 1124 O ASP A 72 4.996 -8.325 -7.357 1.00 1.32 O ATOM 1125 CB ASP A 72 6.701 -5.470 -7.354 1.00 5.12 C ATOM 1126 CG ASP A 72 7.998 -5.418 -8.167 1.00 74.21 C ATOM 1127 OD1 ASP A 72 8.742 -6.408 -8.182 1.00 71.43 O ATOM 1128 OD2 ASP A 72 8.257 -4.399 -8.842 1.00 63.03 O ATOM 0 H ASP A 72 4.320 -5.193 -6.671 1.00 13.41 H new ATOM 0 HA ASP A 72 5.573 -5.757 -9.193 1.00 24.13 H new ATOM 0 HB2 ASP A 72 6.436 -4.462 -7.035 1.00 5.12 H new ATOM 0 HB3 ASP A 72 6.866 -6.057 -6.450 1.00 5.12 H new ATOM 1133 N ALA A 73 6.417 -8.156 -9.128 1.00 11.00 N ATOM 1134 CA ALA A 73 6.607 -9.610 -9.345 1.00 11.02 C ATOM 1135 C ALA A 73 7.630 -10.242 -8.363 1.00 52.24 C ATOM 1136 O ALA A 73 7.604 -11.458 -8.149 1.00 14.23 O ATOM 1137 CB ALA A 73 7.018 -9.867 -10.807 1.00 61.21 C ATOM 0 H ALA A 73 6.953 -7.578 -9.775 1.00 11.00 H new ATOM 0 HA ALA A 73 5.653 -10.097 -9.141 1.00 11.02 H new ATOM 0 HB1 ALA A 73 7.157 -10.937 -10.963 1.00 61.21 H new ATOM 0 HB2 ALA A 73 6.237 -9.501 -11.474 1.00 61.21 H new ATOM 0 HB3 ALA A 73 7.951 -9.345 -11.020 1.00 61.21 H new ATOM 1143 N LYS A 74 8.526 -9.417 -7.774 1.00 43.52 N ATOM 1144 CA LYS A 74 9.518 -9.884 -6.761 1.00 54.32 C ATOM 1145 C LYS A 74 8.807 -10.294 -5.449 1.00 54.31 C ATOM 1146 O LYS A 74 9.203 -11.258 -4.784 1.00 72.22 O ATOM 1147 CB LYS A 74 10.574 -8.777 -6.462 1.00 20.32 C ATOM 1148 CG LYS A 74 11.384 -8.286 -7.686 1.00 74.32 C ATOM 1149 CD LYS A 74 12.224 -9.397 -8.359 1.00 61.21 C ATOM 1150 CE LYS A 74 13.033 -8.862 -9.557 1.00 64.23 C ATOM 1151 NZ LYS A 74 13.813 -9.932 -10.228 1.00 64.25 N ATOM 0 H LYS A 74 8.587 -8.420 -7.980 1.00 43.52 H new ATOM 0 HA LYS A 74 10.030 -10.753 -7.175 1.00 54.32 H new ATOM 0 HB2 LYS A 74 10.064 -7.922 -6.018 1.00 20.32 H new ATOM 0 HB3 LYS A 74 11.271 -9.156 -5.714 1.00 20.32 H new ATOM 0 HG2 LYS A 74 10.697 -7.866 -8.421 1.00 74.32 H new ATOM 0 HG3 LYS A 74 12.047 -7.480 -7.372 1.00 74.32 H new ATOM 0 HD2 LYS A 74 12.905 -9.831 -7.627 1.00 61.21 H new ATOM 0 HD3 LYS A 74 11.565 -10.197 -8.695 1.00 61.21 H new ATOM 0 HE2 LYS A 74 12.354 -8.404 -10.276 1.00 64.23 H new ATOM 0 HE3 LYS A 74 13.711 -8.080 -9.215 1.00 64.23 H new ATOM 0 HZ1 LYS A 74 14.341 -9.527 -11.027 1.00 64.25 H new ATOM 0 HZ2 LYS A 74 14.480 -10.353 -9.550 1.00 64.25 H new ATOM 0 HZ3 LYS A 74 13.165 -10.667 -10.578 1.00 64.25 H new ATOM 1165 N ASN A 75 7.755 -9.538 -5.093 1.00 74.35 N ATOM 1166 CA ASN A 75 6.894 -9.833 -3.929 1.00 51.01 C ATOM 1167 C ASN A 75 5.396 -9.720 -4.353 1.00 3.01 C ATOM 1168 O ASN A 75 4.786 -8.647 -4.230 1.00 41.23 O ATOM 1169 CB ASN A 75 7.234 -8.870 -2.749 1.00 2.21 C ATOM 1170 CG ASN A 75 6.665 -9.313 -1.391 1.00 54.54 C ATOM 1171 OD1 ASN A 75 5.708 -10.079 -1.306 1.00 14.44 O ATOM 1172 ND2 ASN A 75 7.218 -8.795 -0.316 1.00 0.10 N ATOM 0 H ASN A 75 7.475 -8.701 -5.605 1.00 74.35 H new ATOM 0 HA ASN A 75 7.076 -10.850 -3.582 1.00 51.01 H new ATOM 0 HB2 ASN A 75 8.317 -8.784 -2.666 1.00 2.21 H new ATOM 0 HB3 ASN A 75 6.852 -7.876 -2.984 1.00 2.21 H new ATOM 0 HD21 ASN A 75 6.853 -9.027 0.608 1.00 0.10 H new ATOM 0 HD22 ASN A 75 8.012 -8.161 -0.406 1.00 0.10 H new ATOM 1179 N PRO A 76 4.787 -10.827 -4.908 1.00 22.44 N ATOM 1180 CA PRO A 76 3.337 -10.856 -5.270 1.00 41.45 C ATOM 1181 C PRO A 76 2.432 -10.765 -4.024 1.00 52.44 C ATOM 1182 O PRO A 76 1.349 -10.161 -4.049 1.00 3.45 O ATOM 1183 CB PRO A 76 3.161 -12.231 -5.994 1.00 13.23 C ATOM 1184 CG PRO A 76 4.561 -12.679 -6.327 1.00 45.10 C ATOM 1185 CD PRO A 76 5.444 -12.119 -5.234 1.00 22.20 C ATOM 0 HA PRO A 76 3.050 -10.008 -5.892 1.00 41.45 H new ATOM 0 HB2 PRO A 76 2.658 -12.954 -5.352 1.00 13.23 H new ATOM 0 HB3 PRO A 76 2.555 -12.128 -6.894 1.00 13.23 H new ATOM 0 HG2 PRO A 76 4.625 -13.767 -6.363 1.00 45.10 H new ATOM 0 HG3 PRO A 76 4.868 -12.309 -7.305 1.00 45.10 H new ATOM 0 HD2 PRO A 76 5.486 -12.781 -4.369 1.00 22.20 H new ATOM 0 HD3 PRO A 76 6.469 -11.976 -5.576 1.00 22.20 H new ATOM 1193 N ASP A 77 2.915 -11.364 -2.931 1.00 62.14 N ATOM 1194 CA ASP A 77 2.196 -11.444 -1.654 1.00 32.33 C ATOM 1195 C ASP A 77 2.123 -10.091 -0.909 1.00 11.05 C ATOM 1196 O ASP A 77 1.334 -9.973 0.018 1.00 12.23 O ATOM 1197 CB ASP A 77 2.849 -12.515 -0.754 1.00 44.12 C ATOM 1198 CG ASP A 77 2.886 -13.893 -1.433 1.00 24.42 C ATOM 1199 OD1 ASP A 77 1.899 -14.654 -1.322 1.00 73.02 O ATOM 1200 OD2 ASP A 77 3.901 -14.210 -2.094 1.00 51.02 O ATOM 0 H ASP A 77 3.830 -11.814 -2.907 1.00 62.14 H new ATOM 0 HA ASP A 77 1.168 -11.724 -1.885 1.00 32.33 H new ATOM 0 HB2 ASP A 77 3.864 -12.207 -0.503 1.00 44.12 H new ATOM 0 HB3 ASP A 77 2.297 -12.587 0.183 1.00 44.12 H new ATOM 1205 N LEU A 78 2.953 -9.091 -1.301 1.00 2.22 N ATOM 1206 CA LEU A 78 3.029 -7.776 -0.591 1.00 21.02 C ATOM 1207 C LEU A 78 1.654 -7.057 -0.509 1.00 4.11 C ATOM 1208 O LEU A 78 1.250 -6.596 0.558 1.00 22.42 O ATOM 1209 CB LEU A 78 4.063 -6.830 -1.256 1.00 22.30 C ATOM 1210 CG LEU A 78 4.451 -5.568 -0.415 1.00 52.41 C ATOM 1211 CD1 LEU A 78 5.183 -5.966 0.893 1.00 60.30 C ATOM 1212 CD2 LEU A 78 5.290 -4.577 -1.244 1.00 14.04 C ATOM 0 H LEU A 78 3.580 -9.164 -2.102 1.00 2.22 H new ATOM 0 HA LEU A 78 3.350 -8.007 0.425 1.00 21.02 H new ATOM 0 HB2 LEU A 78 4.969 -7.399 -1.467 1.00 22.30 H new ATOM 0 HB3 LEU A 78 3.664 -6.499 -2.215 1.00 22.30 H new ATOM 0 HG LEU A 78 3.526 -5.063 -0.136 1.00 52.41 H new ATOM 0 HD11 LEU A 78 5.439 -5.068 1.454 1.00 60.30 H new ATOM 0 HD12 LEU A 78 4.532 -6.598 1.497 1.00 60.30 H new ATOM 0 HD13 LEU A 78 6.094 -6.513 0.648 1.00 60.30 H new ATOM 0 HD21 LEU A 78 5.543 -3.712 -0.631 1.00 14.04 H new ATOM 0 HD22 LEU A 78 6.206 -5.065 -1.577 1.00 14.04 H new ATOM 0 HD23 LEU A 78 4.716 -4.251 -2.112 1.00 14.04 H new ATOM 1224 N ARG A 79 0.956 -6.954 -1.649 1.00 53.22 N ATOM 1225 CA ARG A 79 -0.423 -6.400 -1.703 1.00 65.32 C ATOM 1226 C ARG A 79 -1.436 -7.327 -0.973 1.00 53.40 C ATOM 1227 O ARG A 79 -2.330 -6.852 -0.273 1.00 1.32 O ATOM 1228 CB ARG A 79 -0.835 -6.158 -3.183 1.00 35.33 C ATOM 1229 CG ARG A 79 -0.708 -7.393 -4.110 1.00 65.22 C ATOM 1230 CD ARG A 79 -0.864 -7.030 -5.598 1.00 2.13 C ATOM 1231 NE ARG A 79 -0.613 -8.161 -6.502 1.00 13.24 N ATOM 1232 CZ ARG A 79 0.573 -8.563 -6.941 1.00 21.43 C ATOM 1233 NH1 ARG A 79 1.687 -8.077 -6.481 1.00 13.30 N ATOM 1234 NH2 ARG A 79 0.628 -9.484 -7.832 1.00 54.52 N ATOM 0 H ARG A 79 1.318 -7.247 -2.556 1.00 53.22 H new ATOM 0 HA ARG A 79 -0.436 -5.444 -1.179 1.00 65.32 H new ATOM 0 HB2 ARG A 79 -1.868 -5.812 -3.204 1.00 35.33 H new ATOM 0 HB3 ARG A 79 -0.221 -5.354 -3.588 1.00 35.33 H new ATOM 0 HG2 ARG A 79 0.263 -7.863 -3.954 1.00 65.22 H new ATOM 0 HG3 ARG A 79 -1.465 -8.128 -3.837 1.00 65.22 H new ATOM 0 HD2 ARG A 79 -1.873 -6.654 -5.769 1.00 2.13 H new ATOM 0 HD3 ARG A 79 -0.176 -6.220 -5.841 1.00 2.13 H new ATOM 0 HE ARG A 79 -1.427 -8.686 -6.822 1.00 13.24 H new ATOM 0 HH11 ARG A 79 1.670 -7.360 -5.756 1.00 13.30 H new ATOM 0 HH12 ARG A 79 2.579 -8.413 -6.845 1.00 13.30 H new ATOM 0 HH21 ARG A 79 -0.232 -9.896 -8.193 1.00 54.52 H new ATOM 0 HH22 ARG A 79 1.532 -9.804 -8.180 1.00 54.52 H new ATOM 1248 N ARG A 80 -1.218 -8.647 -1.103 1.00 70.12 N ATOM 1249 CA ARG A 80 -2.085 -9.712 -0.538 1.00 31.41 C ATOM 1250 C ARG A 80 -2.088 -9.709 1.021 1.00 30.44 C ATOM 1251 O ARG A 80 -3.138 -9.897 1.654 1.00 52.13 O ATOM 1252 CB ARG A 80 -1.565 -11.069 -1.085 1.00 73.33 C ATOM 1253 CG ARG A 80 -2.329 -12.336 -0.638 1.00 14.15 C ATOM 1254 CD ARG A 80 -1.592 -13.622 -1.064 1.00 4.51 C ATOM 1255 NE ARG A 80 -2.339 -14.851 -0.750 1.00 2.22 N ATOM 1256 CZ ARG A 80 -1.829 -16.071 -0.770 1.00 55.30 C ATOM 1257 NH1 ARG A 80 -0.569 -16.279 -1.026 1.00 2.51 N ATOM 1258 NH2 ARG A 80 -2.580 -17.089 -0.530 1.00 42.22 N ATOM 0 H ARG A 80 -0.417 -9.018 -1.614 1.00 70.12 H new ATOM 0 HA ARG A 80 -3.118 -9.538 -0.839 1.00 31.41 H new ATOM 0 HB2 ARG A 80 -1.584 -11.027 -2.174 1.00 73.33 H new ATOM 0 HB3 ARG A 80 -0.522 -11.178 -0.788 1.00 73.33 H new ATOM 0 HG2 ARG A 80 -2.449 -12.326 0.445 1.00 14.15 H new ATOM 0 HG3 ARG A 80 -3.330 -12.329 -1.069 1.00 14.15 H new ATOM 0 HD2 ARG A 80 -1.401 -13.585 -2.136 1.00 4.51 H new ATOM 0 HD3 ARG A 80 -0.622 -13.658 -0.568 1.00 4.51 H new ATOM 0 HE ARG A 80 -3.323 -14.754 -0.498 1.00 2.22 H new ATOM 0 HH11 ARG A 80 0.049 -15.491 -1.217 1.00 2.51 H new ATOM 0 HH12 ARG A 80 -0.201 -17.230 -1.035 1.00 2.51 H new ATOM 0 HH21 ARG A 80 -3.570 -16.955 -0.324 1.00 42.22 H new ATOM 0 HH22 ARG A 80 -2.185 -18.029 -0.546 1.00 42.22 H new ATOM 1272 N ASN A 81 -0.899 -9.476 1.627 1.00 44.41 N ATOM 1273 CA ASN A 81 -0.713 -9.517 3.098 1.00 63.24 C ATOM 1274 C ASN A 81 -1.259 -8.251 3.791 1.00 55.35 C ATOM 1275 O ASN A 81 -1.584 -8.279 4.975 1.00 1.24 O ATOM 1276 CB ASN A 81 0.773 -9.810 3.477 1.00 55.44 C ATOM 1277 CG ASN A 81 1.833 -8.838 2.927 1.00 42.05 C ATOM 1278 OD1 ASN A 81 1.647 -7.540 3.086 1.00 50.12 O flip ATOM 1279 ND2 ASN A 81 2.866 -9.261 2.426 1.00 72.45 N flip ATOM 0 H ASN A 81 -0.046 -9.255 1.113 1.00 44.41 H new ATOM 0 HA ASN A 81 -1.308 -10.349 3.476 1.00 63.24 H new ATOM 0 HB2 ASN A 81 0.851 -9.819 4.564 1.00 55.44 H new ATOM 0 HB3 ASN A 81 1.020 -10.814 3.132 1.00 55.44 H new ATOM 0 HD21 ASN A 81 3.001 -10.265 2.307 1.00 72.45 H new ATOM 0 HD22 ASN A 81 3.592 -8.610 2.127 1.00 72.45 H new ATOM 1286 N VAL A 82 -1.308 -7.130 3.044 1.00 74.54 N ATOM 1287 CA VAL A 82 -1.957 -5.885 3.515 1.00 31.20 C ATOM 1288 C VAL A 82 -3.496 -6.074 3.563 1.00 31.34 C ATOM 1289 O VAL A 82 -4.167 -5.614 4.495 1.00 74.05 O ATOM 1290 CB VAL A 82 -1.577 -4.654 2.599 1.00 40.42 C ATOM 1291 CG1 VAL A 82 -2.283 -3.343 3.044 1.00 12.14 C ATOM 1292 CG2 VAL A 82 -0.043 -4.464 2.561 1.00 13.14 C ATOM 0 H VAL A 82 -0.905 -7.059 2.109 1.00 74.54 H new ATOM 0 HA VAL A 82 -1.593 -5.672 4.520 1.00 31.20 H new ATOM 0 HB VAL A 82 -1.933 -4.878 1.593 1.00 40.42 H new ATOM 0 HG11 VAL A 82 -1.988 -2.528 2.382 1.00 12.14 H new ATOM 0 HG12 VAL A 82 -3.364 -3.477 2.995 1.00 12.14 H new ATOM 0 HG13 VAL A 82 -1.993 -3.103 4.067 1.00 12.14 H new ATOM 0 HG21 VAL A 82 0.203 -3.613 1.926 1.00 13.14 H new ATOM 0 HG22 VAL A 82 0.326 -4.283 3.570 1.00 13.14 H new ATOM 0 HG23 VAL A 82 0.425 -5.363 2.160 1.00 13.14 H new ATOM 1302 N LEU A 83 -4.026 -6.782 2.547 1.00 54.34 N ATOM 1303 CA LEU A 83 -5.458 -7.137 2.455 1.00 61.22 C ATOM 1304 C LEU A 83 -5.893 -8.118 3.577 1.00 13.33 C ATOM 1305 O LEU A 83 -6.999 -7.997 4.114 1.00 30.23 O ATOM 1306 CB LEU A 83 -5.751 -7.734 1.052 1.00 33.23 C ATOM 1307 CG LEU A 83 -5.524 -6.760 -0.153 1.00 0.24 C ATOM 1308 CD1 LEU A 83 -5.605 -7.494 -1.507 1.00 71.42 C ATOM 1309 CD2 LEU A 83 -6.512 -5.575 -0.106 1.00 12.34 C ATOM 0 H LEU A 83 -3.472 -7.126 1.763 1.00 54.34 H new ATOM 0 HA LEU A 83 -6.043 -6.228 2.594 1.00 61.22 H new ATOM 0 HB2 LEU A 83 -5.121 -8.612 0.911 1.00 33.23 H new ATOM 0 HB3 LEU A 83 -6.786 -8.077 1.030 1.00 33.23 H new ATOM 0 HG LEU A 83 -4.514 -6.362 -0.059 1.00 0.24 H new ATOM 0 HD11 LEU A 83 -5.442 -6.783 -2.317 1.00 71.42 H new ATOM 0 HD12 LEU A 83 -4.841 -8.270 -1.546 1.00 71.42 H new ATOM 0 HD13 LEU A 83 -6.590 -7.949 -1.616 1.00 71.42 H new ATOM 0 HD21 LEU A 83 -6.330 -4.916 -0.955 1.00 12.34 H new ATOM 0 HD22 LEU A 83 -7.534 -5.951 -0.151 1.00 12.34 H new ATOM 0 HD23 LEU A 83 -6.370 -5.020 0.821 1.00 12.34 H new ATOM 1321 N CYS A 84 -5.018 -9.090 3.931 1.00 2.23 N ATOM 1322 CA CYS A 84 -5.289 -10.054 5.041 1.00 15.44 C ATOM 1323 C CYS A 84 -4.962 -9.441 6.427 1.00 5.52 C ATOM 1324 O CYS A 84 -5.332 -10.007 7.468 1.00 5.42 O ATOM 1325 CB CYS A 84 -4.495 -11.367 4.845 1.00 32.44 C ATOM 1326 SG CYS A 84 -2.718 -11.225 5.133 1.00 13.44 S ATOM 0 H CYS A 84 -4.120 -9.232 3.470 1.00 2.23 H new ATOM 0 HA CYS A 84 -6.355 -10.279 5.012 1.00 15.44 H new ATOM 0 HB2 CYS A 84 -4.899 -12.124 5.518 1.00 32.44 H new ATOM 0 HB3 CYS A 84 -4.657 -11.725 3.828 1.00 32.44 H new ATOM 0 HG CYS A 84 -2.376 -9.971 5.127 1.00 13.44 H new ATOM 1332 N GLY A 85 -4.259 -8.286 6.425 1.00 41.15 N ATOM 1333 CA GLY A 85 -3.943 -7.544 7.655 1.00 21.50 C ATOM 1334 C GLY A 85 -2.719 -8.069 8.419 1.00 20.44 C ATOM 1335 O GLY A 85 -2.561 -7.768 9.610 1.00 72.15 O ATOM 0 H GLY A 85 -3.900 -7.849 5.576 1.00 41.15 H new ATOM 0 HA2 GLY A 85 -3.775 -6.498 7.400 1.00 21.50 H new ATOM 0 HA3 GLY A 85 -4.809 -7.576 8.316 1.00 21.50 H new ATOM 1339 N ALA A 86 -1.874 -8.874 7.743 1.00 50.35 N ATOM 1340 CA ALA A 86 -0.578 -9.336 8.297 1.00 71.24 C ATOM 1341 C ALA A 86 0.390 -8.140 8.475 1.00 5.24 C ATOM 1342 O ALA A 86 0.934 -7.914 9.560 1.00 44.51 O ATOM 1343 CB ALA A 86 0.031 -10.409 7.379 1.00 21.44 C ATOM 0 H ALA A 86 -2.066 -9.222 6.804 1.00 50.35 H new ATOM 0 HA ALA A 86 -0.747 -9.779 9.279 1.00 71.24 H new ATOM 0 HB1 ALA A 86 0.983 -10.744 7.792 1.00 21.44 H new ATOM 0 HB2 ALA A 86 -0.651 -11.256 7.307 1.00 21.44 H new ATOM 0 HB3 ALA A 86 0.194 -9.989 6.387 1.00 21.44 H new ATOM 1349 N ILE A 87 0.604 -7.394 7.376 1.00 64.34 N ATOM 1350 CA ILE A 87 1.262 -6.071 7.401 1.00 24.33 C ATOM 1351 C ILE A 87 0.150 -5.003 7.319 1.00 44.13 C ATOM 1352 O ILE A 87 -0.628 -4.991 6.359 1.00 24.44 O ATOM 1353 CB ILE A 87 2.307 -5.872 6.220 1.00 71.44 C ATOM 1354 CG1 ILE A 87 3.557 -6.819 6.365 1.00 61.03 C ATOM 1355 CG2 ILE A 87 2.774 -4.395 6.120 1.00 13.44 C ATOM 1356 CD1 ILE A 87 3.289 -8.297 6.144 1.00 15.13 C ATOM 0 H ILE A 87 0.325 -7.691 6.441 1.00 64.34 H new ATOM 0 HA ILE A 87 1.838 -5.982 8.322 1.00 24.33 H new ATOM 0 HB ILE A 87 1.786 -6.140 5.301 1.00 71.44 H new ATOM 0 HG12 ILE A 87 4.319 -6.496 5.656 1.00 61.03 H new ATOM 0 HG13 ILE A 87 3.975 -6.689 7.363 1.00 61.03 H new ATOM 0 HG21 ILE A 87 3.488 -4.294 5.303 1.00 13.44 H new ATOM 0 HG22 ILE A 87 1.913 -3.753 5.932 1.00 13.44 H new ATOM 0 HG23 ILE A 87 3.249 -4.100 7.055 1.00 13.44 H new ATOM 0 HD11 ILE A 87 4.216 -8.857 6.268 1.00 15.13 H new ATOM 0 HD12 ILE A 87 2.554 -8.646 6.870 1.00 15.13 H new ATOM 0 HD13 ILE A 87 2.904 -8.450 5.136 1.00 15.13 H new ATOM 1368 N THR A 88 0.065 -4.124 8.333 1.00 2.44 N ATOM 1369 CA THR A 88 -1.014 -3.111 8.416 1.00 31.20 C ATOM 1370 C THR A 88 -0.815 -1.993 7.359 1.00 24.33 C ATOM 1371 O THR A 88 0.322 -1.737 6.938 1.00 54.41 O ATOM 1372 CB THR A 88 -1.111 -2.459 9.844 1.00 12.04 C ATOM 1373 OG1 THR A 88 -0.042 -1.523 10.043 1.00 33.32 O ATOM 1374 CG2 THR A 88 -1.076 -3.515 10.966 1.00 40.34 C ATOM 0 H THR A 88 0.727 -4.091 9.108 1.00 2.44 H new ATOM 0 HA THR A 88 -1.945 -3.641 8.216 1.00 31.20 H new ATOM 0 HB THR A 88 -2.069 -1.942 9.892 1.00 12.04 H new ATOM 0 HG1 THR A 88 -0.118 -1.125 10.935 1.00 33.32 H new ATOM 0 HG21 THR A 88 -1.146 -3.019 11.934 1.00 40.34 H new ATOM 0 HG22 THR A 88 -1.916 -4.200 10.848 1.00 40.34 H new ATOM 0 HG23 THR A 88 -0.142 -4.074 10.911 1.00 40.34 H new ATOM 1382 N PRO A 89 -1.924 -1.322 6.897 1.00 31.15 N ATOM 1383 CA PRO A 89 -1.846 -0.139 5.990 1.00 61.12 C ATOM 1384 C PRO A 89 -0.904 0.989 6.494 1.00 12.21 C ATOM 1385 O PRO A 89 -0.307 1.715 5.695 1.00 52.54 O ATOM 1386 CB PRO A 89 -3.310 0.348 5.927 1.00 15.03 C ATOM 1387 CG PRO A 89 -4.119 -0.890 6.142 1.00 24.32 C ATOM 1388 CD PRO A 89 -3.345 -1.693 7.166 1.00 72.12 C ATOM 0 HA PRO A 89 -1.419 -0.409 5.024 1.00 61.12 H new ATOM 0 HB2 PRO A 89 -3.514 1.095 6.694 1.00 15.03 H new ATOM 0 HB3 PRO A 89 -3.535 0.809 4.965 1.00 15.03 H new ATOM 0 HG2 PRO A 89 -5.119 -0.650 6.503 1.00 24.32 H new ATOM 0 HG3 PRO A 89 -4.241 -1.448 5.213 1.00 24.32 H new ATOM 0 HD2 PRO A 89 -3.641 -1.438 8.184 1.00 72.12 H new ATOM 0 HD3 PRO A 89 -3.510 -2.764 7.045 1.00 72.12 H new ATOM 1396 N GLN A 90 -0.780 1.103 7.831 1.00 54.31 N ATOM 1397 CA GLN A 90 0.142 2.057 8.485 1.00 70.22 C ATOM 1398 C GLN A 90 1.615 1.654 8.199 1.00 33.11 C ATOM 1399 O GLN A 90 2.431 2.493 7.786 1.00 60.42 O ATOM 1400 CB GLN A 90 -0.164 2.069 10.022 1.00 11.24 C ATOM 1401 CG GLN A 90 0.458 3.218 10.866 1.00 42.22 C ATOM 1402 CD GLN A 90 1.972 3.127 11.108 1.00 61.52 C ATOM 1403 OE1 GLN A 90 2.423 2.479 12.047 1.00 21.42 O ATOM 1404 NE2 GLN A 90 2.760 3.795 10.290 1.00 44.13 N ATOM 0 H GLN A 90 -1.315 0.537 8.489 1.00 54.31 H new ATOM 0 HA GLN A 90 -0.003 3.062 8.088 1.00 70.22 H new ATOM 0 HB2 GLN A 90 -1.246 2.105 10.150 1.00 11.24 H new ATOM 0 HB3 GLN A 90 0.175 1.122 10.441 1.00 11.24 H new ATOM 0 HG2 GLN A 90 0.245 4.164 10.369 1.00 42.22 H new ATOM 0 HG3 GLN A 90 -0.044 3.246 11.833 1.00 42.22 H new ATOM 0 HE21 GLN A 90 2.360 4.326 9.517 1.00 44.13 H new ATOM 0 HE22 GLN A 90 3.770 3.781 10.430 1.00 44.13 H new ATOM 1413 N GLN A 91 1.922 0.354 8.394 1.00 72.41 N ATOM 1414 CA GLN A 91 3.289 -0.194 8.224 1.00 15.53 C ATOM 1415 C GLN A 91 3.772 -0.082 6.766 1.00 1.32 C ATOM 1416 O GLN A 91 4.812 0.516 6.507 1.00 1.40 O ATOM 1417 CB GLN A 91 3.353 -1.676 8.694 1.00 4.14 C ATOM 1418 CG GLN A 91 3.071 -1.918 10.198 1.00 42.13 C ATOM 1419 CD GLN A 91 4.146 -1.385 11.159 1.00 50.20 C ATOM 1420 OE1 GLN A 91 4.812 -0.380 10.918 1.00 43.13 O ATOM 1421 NE2 GLN A 91 4.335 -2.080 12.259 1.00 4.02 N ATOM 0 H GLN A 91 1.233 -0.345 8.673 1.00 72.41 H new ATOM 0 HA GLN A 91 3.955 0.404 8.846 1.00 15.53 H new ATOM 0 HB2 GLN A 91 2.635 -2.254 8.111 1.00 4.14 H new ATOM 0 HB3 GLN A 91 4.343 -2.069 8.461 1.00 4.14 H new ATOM 0 HG2 GLN A 91 2.118 -1.455 10.452 1.00 42.13 H new ATOM 0 HG3 GLN A 91 2.958 -2.990 10.362 1.00 42.13 H new ATOM 0 HE21 GLN A 91 3.772 -2.911 12.440 1.00 4.02 H new ATOM 0 HE22 GLN A 91 5.045 -1.788 12.931 1.00 4.02 H new ATOM 1430 N ILE A 92 2.984 -0.630 5.822 1.00 73.44 N ATOM 1431 CA ILE A 92 3.343 -0.673 4.378 1.00 74.04 C ATOM 1432 C ILE A 92 3.532 0.753 3.766 1.00 34.20 C ATOM 1433 O ILE A 92 4.245 0.923 2.777 1.00 72.24 O ATOM 1434 CB ILE A 92 2.264 -1.495 3.562 1.00 33.42 C ATOM 1435 CG1 ILE A 92 2.721 -1.761 2.090 1.00 41.24 C ATOM 1436 CG2 ILE A 92 0.888 -0.798 3.590 1.00 4.10 C ATOM 1437 CD1 ILE A 92 3.999 -2.572 1.961 1.00 61.53 C ATOM 0 H ILE A 92 2.081 -1.056 6.030 1.00 73.44 H new ATOM 0 HA ILE A 92 4.305 -1.179 4.302 1.00 74.04 H new ATOM 0 HB ILE A 92 2.165 -2.463 4.054 1.00 33.42 H new ATOM 0 HG12 ILE A 92 1.921 -2.282 1.564 1.00 41.24 H new ATOM 0 HG13 ILE A 92 2.862 -0.803 1.589 1.00 41.24 H new ATOM 0 HG21 ILE A 92 0.170 -1.388 3.021 1.00 4.10 H new ATOM 0 HG22 ILE A 92 0.547 -0.708 4.621 1.00 4.10 H new ATOM 0 HG23 ILE A 92 0.974 0.195 3.148 1.00 4.10 H new ATOM 0 HD11 ILE A 92 4.239 -2.707 0.906 1.00 61.53 H new ATOM 0 HD12 ILE A 92 4.816 -2.045 2.455 1.00 61.53 H new ATOM 0 HD13 ILE A 92 3.860 -3.546 2.429 1.00 61.53 H new ATOM 1449 N ALA A 93 2.907 1.763 4.394 1.00 24.11 N ATOM 1450 CA ALA A 93 3.001 3.177 3.971 1.00 0.41 C ATOM 1451 C ALA A 93 4.334 3.850 4.381 1.00 55.23 C ATOM 1452 O ALA A 93 4.736 4.847 3.770 1.00 22.42 O ATOM 1453 CB ALA A 93 1.825 3.952 4.564 1.00 53.54 C ATOM 0 H ALA A 93 2.318 1.624 5.215 1.00 24.11 H new ATOM 0 HA ALA A 93 2.969 3.194 2.882 1.00 0.41 H new ATOM 0 HB1 ALA A 93 1.886 4.996 4.257 1.00 53.54 H new ATOM 0 HB2 ALA A 93 0.889 3.523 4.206 1.00 53.54 H new ATOM 0 HB3 ALA A 93 1.860 3.891 5.652 1.00 53.54 H new ATOM 1459 N VAL A 94 4.994 3.322 5.425 1.00 5.14 N ATOM 1460 CA VAL A 94 6.274 3.879 5.947 1.00 13.31 C ATOM 1461 C VAL A 94 7.490 2.942 5.681 1.00 10.13 C ATOM 1462 O VAL A 94 8.636 3.381 5.811 1.00 32.20 O ATOM 1463 CB VAL A 94 6.162 4.205 7.489 1.00 11.25 C ATOM 1464 CG1 VAL A 94 5.059 5.265 7.761 1.00 55.44 C ATOM 1465 CG2 VAL A 94 5.919 2.926 8.329 1.00 34.13 C ATOM 0 H VAL A 94 4.666 2.502 5.935 1.00 5.14 H new ATOM 0 HA VAL A 94 6.454 4.804 5.400 1.00 13.31 H new ATOM 0 HB VAL A 94 7.118 4.625 7.800 1.00 11.25 H new ATOM 0 HG11 VAL A 94 5.006 5.468 8.831 1.00 55.44 H new ATOM 0 HG12 VAL A 94 5.299 6.185 7.228 1.00 55.44 H new ATOM 0 HG13 VAL A 94 4.097 4.886 7.415 1.00 55.44 H new ATOM 0 HG21 VAL A 94 5.848 3.192 9.384 1.00 34.13 H new ATOM 0 HG22 VAL A 94 4.990 2.452 8.010 1.00 34.13 H new ATOM 0 HG23 VAL A 94 6.748 2.233 8.185 1.00 34.13 H new ATOM 1475 N MET A 95 7.232 1.666 5.305 1.00 73.41 N ATOM 1476 CA MET A 95 8.295 0.665 4.983 1.00 64.13 C ATOM 1477 C MET A 95 9.212 1.140 3.818 1.00 44.11 C ATOM 1478 O MET A 95 8.740 1.731 2.851 1.00 43.14 O ATOM 1479 CB MET A 95 7.652 -0.716 4.636 1.00 33.35 C ATOM 1480 CG MET A 95 7.097 -1.494 5.843 1.00 73.22 C ATOM 1481 SD MET A 95 6.014 -2.871 5.376 1.00 55.32 S ATOM 1482 CE MET A 95 7.104 -3.934 4.431 1.00 33.53 C ATOM 0 H MET A 95 6.286 1.296 5.215 1.00 73.41 H new ATOM 0 HA MET A 95 8.921 0.559 5.869 1.00 64.13 H new ATOM 0 HB2 MET A 95 6.843 -0.555 3.923 1.00 33.35 H new ATOM 0 HB3 MET A 95 8.399 -1.333 4.137 1.00 33.35 H new ATOM 0 HG2 MET A 95 7.930 -1.880 6.431 1.00 73.22 H new ATOM 0 HG3 MET A 95 6.544 -0.808 6.485 1.00 73.22 H new ATOM 0 HE1 MET A 95 6.562 -4.828 4.122 1.00 33.53 H new ATOM 0 HE2 MET A 95 7.458 -3.400 3.549 1.00 33.53 H new ATOM 0 HE3 MET A 95 7.956 -4.221 5.047 1.00 33.53 H new ATOM 1492 N THR A 96 10.529 0.891 3.926 1.00 42.32 N ATOM 1493 CA THR A 96 11.498 1.225 2.843 1.00 55.24 C ATOM 1494 C THR A 96 11.359 0.253 1.647 1.00 20.40 C ATOM 1495 O THR A 96 10.674 -0.770 1.751 1.00 44.34 O ATOM 1496 CB THR A 96 12.983 1.196 3.350 1.00 21.14 C ATOM 1497 OG1 THR A 96 13.399 -0.155 3.629 1.00 11.45 O ATOM 1498 CG2 THR A 96 13.185 2.071 4.602 1.00 14.22 C ATOM 0 H THR A 96 10.956 0.461 4.747 1.00 42.32 H new ATOM 0 HA THR A 96 11.258 2.238 2.521 1.00 55.24 H new ATOM 0 HB THR A 96 13.599 1.607 2.550 1.00 21.14 H new ATOM 0 HG1 THR A 96 14.328 -0.153 3.942 1.00 11.45 H new ATOM 0 HG21 THR A 96 14.227 2.020 4.917 1.00 14.22 H new ATOM 0 HG22 THR A 96 12.926 3.104 4.370 1.00 14.22 H new ATOM 0 HG23 THR A 96 12.545 1.709 5.406 1.00 14.22 H new ATOM 1506 N SER A 97 12.021 0.577 0.519 1.00 5.34 N ATOM 1507 CA SER A 97 12.049 -0.303 -0.680 1.00 51.02 C ATOM 1508 C SER A 97 12.666 -1.686 -0.355 1.00 35.21 C ATOM 1509 O SER A 97 12.219 -2.714 -0.876 1.00 70.22 O ATOM 1510 CB SER A 97 12.831 0.387 -1.823 1.00 61.13 C ATOM 1511 OG SER A 97 14.129 0.767 -1.399 1.00 42.30 O ATOM 0 H SER A 97 12.547 1.444 0.407 1.00 5.34 H new ATOM 0 HA SER A 97 11.021 -0.471 -1.002 1.00 51.02 H new ATOM 0 HB2 SER A 97 12.907 -0.289 -2.675 1.00 61.13 H new ATOM 0 HB3 SER A 97 12.284 1.267 -2.162 1.00 61.13 H new ATOM 0 HG SER A 97 14.602 1.199 -2.141 1.00 42.30 H new ATOM 1517 N GLU A 98 13.675 -1.688 0.540 1.00 3.40 N ATOM 1518 CA GLU A 98 14.311 -2.924 1.048 1.00 1.44 C ATOM 1519 C GLU A 98 13.353 -3.747 1.944 1.00 72.12 C ATOM 1520 O GLU A 98 13.348 -4.969 1.860 1.00 41.11 O ATOM 1521 CB GLU A 98 15.615 -2.577 1.812 1.00 40.12 C ATOM 1522 CG GLU A 98 16.719 -1.972 0.917 1.00 31.12 C ATOM 1523 CD GLU A 98 17.984 -1.570 1.697 1.00 2.14 C ATOM 1524 OE1 GLU A 98 18.796 -2.459 2.030 1.00 71.33 O ATOM 1525 OE2 GLU A 98 18.172 -0.365 1.983 1.00 41.42 O ATOM 0 H GLU A 98 14.073 -0.834 0.932 1.00 3.40 H new ATOM 0 HA GLU A 98 14.556 -3.547 0.188 1.00 1.44 H new ATOM 0 HB2 GLU A 98 15.381 -1.873 2.610 1.00 40.12 H new ATOM 0 HB3 GLU A 98 15.999 -3.480 2.286 1.00 40.12 H new ATOM 0 HG2 GLU A 98 16.990 -2.695 0.147 1.00 31.12 H new ATOM 0 HG3 GLU A 98 16.322 -1.095 0.405 1.00 31.12 H new ATOM 1532 N GLU A 99 12.555 -3.058 2.793 1.00 73.33 N ATOM 1533 CA GLU A 99 11.528 -3.700 3.666 1.00 43.30 C ATOM 1534 C GLU A 99 10.406 -4.372 2.835 1.00 13.53 C ATOM 1535 O GLU A 99 9.960 -5.481 3.148 1.00 41.14 O ATOM 1536 CB GLU A 99 10.905 -2.645 4.625 1.00 23.41 C ATOM 1537 CG GLU A 99 11.865 -2.066 5.681 1.00 23.43 C ATOM 1538 CD GLU A 99 12.236 -3.077 6.777 1.00 1.00 C ATOM 1539 OE1 GLU A 99 11.458 -3.227 7.742 1.00 63.53 O ATOM 1540 OE2 GLU A 99 13.299 -3.722 6.685 1.00 72.42 O ATOM 0 H GLU A 99 12.600 -2.044 2.897 1.00 73.33 H new ATOM 0 HA GLU A 99 12.030 -4.475 4.246 1.00 43.30 H new ATOM 0 HB2 GLU A 99 10.511 -1.823 4.027 1.00 23.41 H new ATOM 0 HB3 GLU A 99 10.058 -3.101 5.139 1.00 23.41 H new ATOM 0 HG2 GLU A 99 12.775 -1.724 5.188 1.00 23.43 H new ATOM 0 HG3 GLU A 99 11.404 -1.192 6.142 1.00 23.43 H new ATOM 1547 N MET A 100 9.973 -3.682 1.766 1.00 53.33 N ATOM 1548 CA MET A 100 8.884 -4.150 0.872 1.00 12.23 C ATOM 1549 C MET A 100 9.333 -5.315 -0.056 1.00 3.03 C ATOM 1550 O MET A 100 8.491 -6.022 -0.621 1.00 71.13 O ATOM 1551 CB MET A 100 8.324 -2.949 0.050 1.00 52.54 C ATOM 1552 CG MET A 100 7.565 -1.912 0.906 1.00 53.11 C ATOM 1553 SD MET A 100 6.829 -0.573 -0.059 1.00 60.31 S ATOM 1554 CE MET A 100 8.284 0.295 -0.636 1.00 2.43 C ATOM 0 H MET A 100 10.365 -2.781 1.491 1.00 53.33 H new ATOM 0 HA MET A 100 8.088 -4.554 1.498 1.00 12.23 H new ATOM 0 HB2 MET A 100 9.150 -2.452 -0.459 1.00 52.54 H new ATOM 0 HB3 MET A 100 7.655 -3.329 -0.722 1.00 52.54 H new ATOM 0 HG2 MET A 100 6.779 -2.420 1.464 1.00 53.11 H new ATOM 0 HG3 MET A 100 8.251 -1.486 1.638 1.00 53.11 H new ATOM 0 HE1 MET A 100 7.984 1.214 -1.140 1.00 2.43 H new ATOM 0 HE2 MET A 100 8.923 0.539 0.213 1.00 2.43 H new ATOM 0 HE3 MET A 100 8.833 -0.338 -1.333 1.00 2.43 H new