USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 412 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 Single : A 12 SER OG : rot 29:sc= 0.129 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.0211 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= -0.0172 (180deg=-0.19) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= 0.709 K(o=0.71,f=-2.2!) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.514 USER MOD Single : A 30 SER OG : rot 85:sc= 1.23 USER MOD Single : A 36 HIS : no HD1:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.21 F(o=-0.72,f=-0.21) USER MOD Single : A 60 THR OG1 : rot 76:sc= 1.01 USER MOD Single : A 64 ASN : amide:sc= 0.0806 X(o=0.081,f=0) USER MOD Single : A 69 GLN : amide:sc= -1.67! C(o=-1.7!,f=-6.7!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 12.527 1.400 0.610 1.00 41.43 N ATOM 159 CA SER A 12 13.058 2.640 0.081 1.00 31.15 C ATOM 160 C SER A 12 11.909 3.571 -0.292 1.00 3.23 C ATOM 161 O SER A 12 11.938 4.764 0.006 1.00 74.11 O ATOM 162 CB SER A 12 13.967 2.355 -1.115 1.00 63.24 C ATOM 163 OG SER A 12 15.009 1.441 -0.743 1.00 11.15 O ATOM 0 HA SER A 12 13.662 3.136 0.841 1.00 31.15 H new ATOM 0 HB2 SER A 12 13.382 1.936 -1.933 1.00 63.24 H new ATOM 0 HB3 SER A 12 14.403 3.285 -1.479 1.00 63.24 H new ATOM 0 HG SER A 12 14.689 0.854 -0.027 1.00 11.15 H new ATOM 169 N TYR A 13 10.871 3.000 -0.880 1.00 5.15 N ATOM 170 CA TYR A 13 9.686 3.750 -1.206 1.00 11.01 C ATOM 171 C TYR A 13 8.937 4.186 0.034 1.00 65.41 C ATOM 172 O TYR A 13 8.473 5.307 0.096 1.00 52.22 O ATOM 173 CB TYR A 13 8.793 3.009 -2.196 1.00 53.53 C ATOM 174 CG TYR A 13 9.252 3.195 -3.615 1.00 32.32 C ATOM 175 CD1 TYR A 13 10.395 2.581 -4.095 1.00 33.20 C ATOM 176 CD2 TYR A 13 8.551 4.024 -4.462 1.00 12.44 C ATOM 177 CE1 TYR A 13 10.826 2.795 -5.381 1.00 70.44 C ATOM 178 CE2 TYR A 13 8.960 4.242 -5.753 1.00 63.35 C ATOM 179 CZ TYR A 13 10.108 3.622 -6.208 1.00 23.43 C ATOM 180 OH TYR A 13 10.553 3.845 -7.494 1.00 41.54 O ATOM 0 H TYR A 13 10.832 2.014 -1.139 1.00 5.15 H new ATOM 0 HA TYR A 13 10.012 4.660 -1.709 1.00 11.01 H new ATOM 0 HB2 TYR A 13 8.786 1.946 -1.953 1.00 53.53 H new ATOM 0 HB3 TYR A 13 7.768 3.365 -2.097 1.00 53.53 H new ATOM 0 HD1 TYR A 13 10.957 1.923 -3.448 1.00 33.20 H new ATOM 0 HD2 TYR A 13 7.659 4.514 -4.102 1.00 12.44 H new ATOM 0 HE1 TYR A 13 11.725 2.315 -5.740 1.00 70.44 H new ATOM 0 HE2 TYR A 13 8.392 4.889 -6.405 1.00 63.35 H new ATOM 0 HH TYR A 13 9.935 4.452 -7.953 1.00 41.54 H new ATOM 190 N VAL A 14 8.852 3.317 1.026 1.00 32.44 N ATOM 191 CA VAL A 14 8.212 3.656 2.288 1.00 24.34 C ATOM 192 C VAL A 14 8.963 4.791 2.988 1.00 70.42 C ATOM 193 O VAL A 14 8.356 5.755 3.437 1.00 74.51 O ATOM 194 CB VAL A 14 8.064 2.436 3.241 1.00 11.31 C ATOM 195 CG1 VAL A 14 7.511 2.885 4.579 1.00 75.23 C ATOM 196 CG2 VAL A 14 7.137 1.397 2.633 1.00 35.13 C ATOM 0 H VAL A 14 9.220 2.367 0.983 1.00 32.44 H new ATOM 0 HA VAL A 14 7.203 3.989 2.043 1.00 24.34 H new ATOM 0 HB VAL A 14 9.049 1.992 3.387 1.00 11.31 H new ATOM 0 HG11 VAL A 14 7.411 2.023 5.239 1.00 75.23 H new ATOM 0 HG12 VAL A 14 8.190 3.610 5.029 1.00 75.23 H new ATOM 0 HG13 VAL A 14 6.534 3.345 4.433 1.00 75.23 H new ATOM 0 HG21 VAL A 14 7.044 0.550 3.313 1.00 35.13 H new ATOM 0 HG22 VAL A 14 6.154 1.839 2.467 1.00 35.13 H new ATOM 0 HG23 VAL A 14 7.546 1.056 1.682 1.00 35.13 H new ATOM 206 N ASN A 15 10.280 4.667 3.073 1.00 63.21 N ATOM 207 CA ASN A 15 11.137 5.698 3.632 1.00 22.15 C ATOM 208 C ASN A 15 10.930 7.021 2.882 1.00 3.25 C ATOM 209 O ASN A 15 10.900 8.103 3.482 1.00 74.51 O ATOM 210 CB ASN A 15 12.583 5.257 3.478 1.00 54.32 C ATOM 211 CG ASN A 15 13.533 6.092 4.266 1.00 40.13 C ATOM 212 OD1 ASN A 15 14.038 7.118 3.798 1.00 71.30 O ATOM 213 ND2 ASN A 15 13.794 5.662 5.459 1.00 54.32 N ATOM 0 H ASN A 15 10.786 3.841 2.753 1.00 63.21 H new ATOM 0 HA ASN A 15 10.892 5.847 4.684 1.00 22.15 H new ATOM 0 HB2 ASN A 15 12.675 4.217 3.792 1.00 54.32 H new ATOM 0 HB3 ASN A 15 12.859 5.298 2.424 1.00 54.32 H new ATOM 0 HD21 ASN A 15 14.441 6.176 6.056 1.00 54.32 H new ATOM 0 HD22 ASN A 15 13.352 4.809 5.802 1.00 54.32 H new ATOM 220 N LYS A 16 10.772 6.913 1.578 1.00 43.43 N ATOM 221 CA LYS A 16 10.527 8.040 0.733 1.00 11.54 C ATOM 222 C LYS A 16 9.166 8.659 1.070 1.00 60.30 C ATOM 223 O LYS A 16 9.052 9.868 1.167 1.00 14.22 O ATOM 224 CB LYS A 16 10.588 7.598 -0.717 1.00 15.23 C ATOM 225 CG LYS A 16 10.489 8.690 -1.714 1.00 52.54 C ATOM 226 CD LYS A 16 10.585 8.100 -3.086 1.00 43.30 C ATOM 227 CE LYS A 16 10.527 9.163 -4.146 1.00 22.34 C ATOM 228 NZ LYS A 16 11.690 10.079 -4.091 1.00 22.40 N ATOM 0 H LYS A 16 10.813 6.024 1.079 1.00 43.43 H new ATOM 0 HA LYS A 16 11.289 8.802 0.896 1.00 11.54 H new ATOM 0 HB2 LYS A 16 11.524 7.064 -0.878 1.00 15.23 H new ATOM 0 HB3 LYS A 16 9.781 6.888 -0.898 1.00 15.23 H new ATOM 0 HG2 LYS A 16 9.545 9.223 -1.598 1.00 52.54 H new ATOM 0 HG3 LYS A 16 11.287 9.416 -1.559 1.00 52.54 H new ATOM 0 HD2 LYS A 16 11.517 7.542 -3.179 1.00 43.30 H new ATOM 0 HD3 LYS A 16 9.772 7.390 -3.236 1.00 43.30 H new ATOM 0 HE2 LYS A 16 10.485 8.691 -5.128 1.00 22.34 H new ATOM 0 HE3 LYS A 16 9.609 9.739 -4.030 1.00 22.34 H new ATOM 0 HZ1 LYS A 16 11.714 10.661 -4.952 1.00 22.40 H new ATOM 0 HZ2 LYS A 16 11.607 10.696 -3.258 1.00 22.40 H new ATOM 0 HZ3 LYS A 16 12.567 9.523 -4.024 1.00 22.40 H new ATOM 242 N ILE A 17 8.147 7.810 1.275 1.00 24.42 N ATOM 243 CA ILE A 17 6.814 8.241 1.684 1.00 61.41 C ATOM 244 C ILE A 17 6.914 9.019 2.986 1.00 3.14 C ATOM 245 O ILE A 17 6.331 10.097 3.125 1.00 72.54 O ATOM 246 CB ILE A 17 5.883 7.022 1.924 1.00 75.31 C ATOM 247 CG1 ILE A 17 5.658 6.226 0.640 1.00 62.24 C ATOM 248 CG2 ILE A 17 4.564 7.467 2.514 1.00 24.22 C ATOM 249 CD1 ILE A 17 4.876 4.944 0.849 1.00 34.41 C ATOM 0 H ILE A 17 8.232 6.800 1.159 1.00 24.42 H new ATOM 0 HA ILE A 17 6.401 8.860 0.888 1.00 61.41 H new ATOM 0 HB ILE A 17 6.378 6.364 2.638 1.00 75.31 H new ATOM 0 HG12 ILE A 17 5.128 6.852 -0.077 1.00 62.24 H new ATOM 0 HG13 ILE A 17 6.625 5.984 0.198 1.00 62.24 H new ATOM 0 HG21 ILE A 17 3.926 6.598 2.675 1.00 24.22 H new ATOM 0 HG22 ILE A 17 4.742 7.968 3.466 1.00 24.22 H new ATOM 0 HG23 ILE A 17 4.072 8.156 1.827 1.00 24.22 H new ATOM 0 HD11 ILE A 17 4.755 4.432 -0.106 1.00 34.41 H new ATOM 0 HD12 ILE A 17 5.415 4.298 1.542 1.00 34.41 H new ATOM 0 HD13 ILE A 17 3.895 5.179 1.261 1.00 34.41 H new ATOM 261 N LYS A 18 7.692 8.465 3.911 1.00 54.23 N ATOM 262 CA LYS A 18 7.922 9.053 5.219 1.00 11.00 C ATOM 263 C LYS A 18 8.374 10.505 5.089 1.00 40.43 C ATOM 264 O LYS A 18 7.916 11.352 5.811 1.00 53.01 O ATOM 265 CB LYS A 18 8.986 8.256 6.000 1.00 43.01 C ATOM 266 CG LYS A 18 8.598 6.874 6.364 1.00 73.31 C ATOM 267 CD LYS A 18 9.659 6.228 7.214 1.00 72.01 C ATOM 268 CE LYS A 18 9.314 4.795 7.444 1.00 23.13 C ATOM 269 NZ LYS A 18 10.235 4.125 8.380 1.00 63.11 N ATOM 0 H LYS A 18 8.185 7.584 3.768 1.00 54.23 H new ATOM 0 HA LYS A 18 6.979 9.019 5.765 1.00 11.00 H new ATOM 0 HB2 LYS A 18 9.897 8.215 5.403 1.00 43.01 H new ATOM 0 HB3 LYS A 18 9.227 8.801 6.913 1.00 43.01 H new ATOM 0 HG2 LYS A 18 7.651 6.887 6.904 1.00 73.31 H new ATOM 0 HG3 LYS A 18 8.441 6.285 5.460 1.00 73.31 H new ATOM 0 HD2 LYS A 18 10.629 6.304 6.723 1.00 72.01 H new ATOM 0 HD3 LYS A 18 9.743 6.750 8.167 1.00 72.01 H new ATOM 0 HE2 LYS A 18 8.298 4.729 7.833 1.00 23.13 H new ATOM 0 HE3 LYS A 18 9.325 4.267 6.491 1.00 23.13 H new ATOM 0 HZ1 LYS A 18 9.946 3.133 8.501 1.00 63.11 H new ATOM 0 HZ2 LYS A 18 11.202 4.160 8.000 1.00 63.11 H new ATOM 0 HZ3 LYS A 18 10.207 4.608 9.300 1.00 63.11 H new ATOM 283 N THR A 19 9.298 10.735 4.181 1.00 12.02 N ATOM 284 CA THR A 19 9.846 12.024 3.852 1.00 61.33 C ATOM 285 C THR A 19 8.880 12.919 3.006 1.00 0.34 C ATOM 286 O THR A 19 8.754 14.129 3.242 1.00 13.24 O ATOM 287 CB THR A 19 11.158 11.753 3.106 1.00 60.23 C ATOM 288 OG1 THR A 19 12.200 11.411 4.021 1.00 11.24 O ATOM 289 CG2 THR A 19 11.556 12.857 2.164 1.00 32.30 C ATOM 0 H THR A 19 9.706 9.984 3.625 1.00 12.02 H new ATOM 0 HA THR A 19 10.009 12.597 4.765 1.00 61.33 H new ATOM 0 HB THR A 19 10.980 10.891 2.462 1.00 60.23 H new ATOM 0 HG1 THR A 19 13.028 11.240 3.525 1.00 11.24 H new ATOM 0 HG21 THR A 19 12.493 12.596 1.672 1.00 32.30 H new ATOM 0 HG22 THR A 19 10.778 12.993 1.413 1.00 32.30 H new ATOM 0 HG23 THR A 19 11.686 13.783 2.723 1.00 32.30 H new ATOM 297 N ARG A 20 8.244 12.328 2.031 1.00 53.11 N ATOM 298 CA ARG A 20 7.361 13.041 1.116 1.00 51.22 C ATOM 299 C ARG A 20 6.113 13.536 1.808 1.00 22.05 C ATOM 300 O ARG A 20 5.536 14.539 1.422 1.00 11.11 O ATOM 301 CB ARG A 20 7.017 12.132 -0.052 1.00 52.41 C ATOM 302 CG ARG A 20 8.163 11.947 -1.042 1.00 33.14 C ATOM 303 CD ARG A 20 8.184 13.036 -2.116 1.00 24.53 C ATOM 304 NE ARG A 20 8.386 14.397 -1.597 1.00 61.44 N ATOM 305 CZ ARG A 20 7.609 15.461 -1.893 1.00 72.44 C ATOM 306 NH1 ARG A 20 6.470 15.303 -2.572 1.00 33.41 N ATOM 307 NH2 ARG A 20 7.974 16.672 -1.496 1.00 32.15 N ATOM 0 H ARG A 20 8.317 11.329 1.838 1.00 53.11 H new ATOM 0 HA ARG A 20 7.881 13.925 0.747 1.00 51.22 H new ATOM 0 HB2 ARG A 20 6.720 11.157 0.333 1.00 52.41 H new ATOM 0 HB3 ARG A 20 6.156 12.542 -0.579 1.00 52.41 H new ATOM 0 HG2 ARG A 20 9.110 11.953 -0.503 1.00 33.14 H new ATOM 0 HG3 ARG A 20 8.074 10.971 -1.519 1.00 33.14 H new ATOM 0 HD2 ARG A 20 8.977 12.811 -2.829 1.00 24.53 H new ATOM 0 HD3 ARG A 20 7.243 13.006 -2.665 1.00 24.53 H new ATOM 0 HE ARG A 20 9.173 14.549 -0.966 1.00 61.44 H new ATOM 0 HH11 ARG A 20 6.180 14.372 -2.872 1.00 33.41 H new ATOM 0 HH12 ARG A 20 5.890 16.113 -2.791 1.00 33.41 H new ATOM 0 HH21 ARG A 20 8.839 16.797 -0.969 1.00 32.15 H new ATOM 0 HH22 ARG A 20 7.390 17.479 -1.717 1.00 32.15 H new ATOM 321 N PHE A 21 5.717 12.829 2.819 1.00 34.42 N ATOM 322 CA PHE A 21 4.549 13.163 3.597 1.00 13.34 C ATOM 323 C PHE A 21 4.992 13.313 5.043 1.00 53.31 C ATOM 324 O PHE A 21 4.254 13.022 5.995 1.00 11.43 O ATOM 325 CB PHE A 21 3.503 12.054 3.427 1.00 10.23 C ATOM 326 CG PHE A 21 3.112 11.834 1.978 1.00 33.22 C ATOM 327 CD1 PHE A 21 2.083 12.553 1.406 1.00 70.24 C ATOM 328 CD2 PHE A 21 3.790 10.916 1.192 1.00 11.33 C ATOM 329 CE1 PHE A 21 1.733 12.362 0.086 1.00 23.04 C ATOM 330 CE2 PHE A 21 3.451 10.723 -0.122 1.00 24.33 C ATOM 331 CZ PHE A 21 2.419 11.447 -0.680 1.00 74.33 C ATOM 0 H PHE A 21 6.199 11.989 3.138 1.00 34.42 H new ATOM 0 HA PHE A 21 4.092 14.096 3.268 1.00 13.34 H new ATOM 0 HB2 PHE A 21 3.896 11.124 3.838 1.00 10.23 H new ATOM 0 HB3 PHE A 21 2.614 12.307 4.004 1.00 10.23 H new ATOM 0 HD1 PHE A 21 1.544 13.276 2.000 1.00 70.24 H new ATOM 0 HD2 PHE A 21 4.599 10.343 1.622 1.00 11.33 H new ATOM 0 HE1 PHE A 21 0.922 12.929 -0.346 1.00 23.04 H new ATOM 0 HE2 PHE A 21 3.992 10.004 -0.720 1.00 24.33 H new ATOM 0 HZ PHE A 21 2.150 11.297 -1.715 1.00 74.33 H new ATOM 341 N LEU A 22 6.200 13.841 5.180 1.00 54.42 N ATOM 342 CA LEU A 22 6.886 13.998 6.453 1.00 1.23 C ATOM 343 C LEU A 22 6.117 14.940 7.362 1.00 40.53 C ATOM 344 O LEU A 22 6.022 14.718 8.565 1.00 34.42 O ATOM 345 CB LEU A 22 8.312 14.542 6.195 1.00 10.44 C ATOM 346 CG LEU A 22 9.471 13.879 6.918 1.00 13.52 C ATOM 347 CD1 LEU A 22 10.782 14.576 6.603 1.00 71.14 C ATOM 348 CD2 LEU A 22 9.227 13.857 8.368 1.00 5.23 C ATOM 0 H LEU A 22 6.744 14.181 4.387 1.00 54.42 H new ATOM 0 HA LEU A 22 6.950 13.030 6.950 1.00 1.23 H new ATOM 0 HB2 LEU A 22 8.505 14.477 5.124 1.00 10.44 H new ATOM 0 HB3 LEU A 22 8.318 15.600 6.456 1.00 10.44 H new ATOM 0 HG LEU A 22 9.547 12.851 6.565 1.00 13.52 H new ATOM 0 HD11 LEU A 22 11.594 14.080 7.134 1.00 71.14 H new ATOM 0 HD12 LEU A 22 10.969 14.531 5.530 1.00 71.14 H new ATOM 0 HD13 LEU A 22 10.725 15.618 6.918 1.00 71.14 H new ATOM 0 HD21 LEU A 22 10.067 13.378 8.871 1.00 5.23 H new ATOM 0 HD22 LEU A 22 9.118 14.878 8.734 1.00 5.23 H new ATOM 0 HD23 LEU A 22 8.314 13.298 8.575 1.00 5.23 H new ATOM 360 N ASP A 23 5.517 15.936 6.765 1.00 13.32 N ATOM 361 CA ASP A 23 4.814 16.968 7.487 1.00 73.14 C ATOM 362 C ASP A 23 3.447 16.533 7.920 1.00 1.03 C ATOM 363 O ASP A 23 2.839 17.153 8.793 1.00 62.54 O ATOM 364 CB ASP A 23 4.692 18.220 6.643 1.00 64.24 C ATOM 365 CG ASP A 23 6.010 18.864 6.342 1.00 15.12 C ATOM 366 OD1 ASP A 23 6.582 19.529 7.228 1.00 74.54 O ATOM 367 OD2 ASP A 23 6.511 18.723 5.207 1.00 51.44 O ATOM 0 H ASP A 23 5.502 16.056 5.752 1.00 13.32 H new ATOM 0 HA ASP A 23 5.402 17.176 8.381 1.00 73.14 H new ATOM 0 HB2 ASP A 23 4.195 17.970 5.705 1.00 64.24 H new ATOM 0 HB3 ASP A 23 4.055 18.937 7.160 1.00 64.24 H new ATOM 372 N HIS A 24 2.964 15.478 7.340 1.00 22.12 N ATOM 373 CA HIS A 24 1.633 15.009 7.630 1.00 22.32 C ATOM 374 C HIS A 24 1.598 13.528 7.951 1.00 32.41 C ATOM 375 O HIS A 24 1.427 12.686 7.055 1.00 51.01 O ATOM 376 CB HIS A 24 0.652 15.352 6.510 1.00 25.23 C ATOM 377 CG HIS A 24 0.218 16.759 6.466 1.00 21.25 C ATOM 378 ND1 HIS A 24 -0.690 17.338 7.335 1.00 44.52 N ATOM 379 CD2 HIS A 24 0.593 17.700 5.636 1.00 22.21 C ATOM 380 CE1 HIS A 24 -0.816 18.617 6.990 1.00 53.11 C ATOM 381 NE2 HIS A 24 -0.047 18.896 5.948 1.00 23.10 N ATOM 0 H HIS A 24 3.472 14.917 6.656 1.00 22.12 H new ATOM 0 HA HIS A 24 1.312 15.539 8.527 1.00 22.32 H new ATOM 0 HB2 HIS A 24 1.113 15.101 5.555 1.00 25.23 H new ATOM 0 HB3 HIS A 24 -0.230 14.720 6.614 1.00 25.23 H new ATOM 0 HD1 HIS A 24 -1.175 16.870 8.101 1.00 44.52 H new ATOM 0 HD2 HIS A 24 1.296 17.567 4.827 1.00 22.21 H new ATOM 0 HE1 HIS A 24 -1.456 19.329 7.490 1.00 53.11 H new ATOM 389 N PRO A 25 1.776 13.181 9.243 1.00 30.01 N ATOM 390 CA PRO A 25 1.722 11.790 9.725 1.00 53.33 C ATOM 391 C PRO A 25 0.394 11.136 9.370 1.00 20.05 C ATOM 392 O PRO A 25 0.325 9.933 9.108 1.00 25.12 O ATOM 393 CB PRO A 25 1.841 11.938 11.246 1.00 74.23 C ATOM 394 CG PRO A 25 2.553 13.226 11.443 1.00 74.30 C ATOM 395 CD PRO A 25 2.077 14.125 10.345 1.00 23.22 C ATOM 0 HA PRO A 25 2.498 11.165 9.283 1.00 53.33 H new ATOM 0 HB2 PRO A 25 0.860 11.951 11.721 1.00 74.23 H new ATOM 0 HB3 PRO A 25 2.396 11.108 11.683 1.00 74.23 H new ATOM 0 HG2 PRO A 25 2.329 13.651 12.421 1.00 74.30 H new ATOM 0 HG3 PRO A 25 3.633 13.087 11.395 1.00 74.30 H new ATOM 0 HD2 PRO A 25 1.195 14.692 10.642 1.00 23.22 H new ATOM 0 HD3 PRO A 25 2.839 14.849 10.058 1.00 23.22 H new ATOM 403 N GLU A 26 -0.650 11.961 9.330 1.00 34.55 N ATOM 404 CA GLU A 26 -1.998 11.551 9.009 1.00 31.42 C ATOM 405 C GLU A 26 -2.067 10.793 7.673 1.00 22.20 C ATOM 406 O GLU A 26 -2.752 9.797 7.580 1.00 31.55 O ATOM 407 CB GLU A 26 -2.910 12.780 8.974 1.00 5.44 C ATOM 408 CG GLU A 26 -2.500 13.792 7.926 1.00 14.12 C ATOM 409 CD GLU A 26 -3.284 15.069 7.964 1.00 2.03 C ATOM 410 OE1 GLU A 26 -4.330 15.162 7.295 1.00 0.13 O ATOM 411 OE2 GLU A 26 -2.838 16.027 8.631 1.00 50.31 O ATOM 0 H GLU A 26 -0.570 12.959 9.527 1.00 34.55 H new ATOM 0 HA GLU A 26 -2.336 10.864 9.784 1.00 31.42 H new ATOM 0 HB2 GLU A 26 -3.934 12.460 8.781 1.00 5.44 H new ATOM 0 HB3 GLU A 26 -2.904 13.258 9.954 1.00 5.44 H new ATOM 0 HG2 GLU A 26 -1.443 14.024 8.055 1.00 14.12 H new ATOM 0 HG3 GLU A 26 -2.609 13.341 6.940 1.00 14.12 H new ATOM 418 N ILE A 27 -1.308 11.238 6.669 1.00 3.12 N ATOM 419 CA ILE A 27 -1.343 10.632 5.344 1.00 31.01 C ATOM 420 C ILE A 27 -0.742 9.245 5.398 1.00 2.04 C ATOM 421 O ILE A 27 -1.324 8.281 4.902 1.00 42.22 O ATOM 422 CB ILE A 27 -0.594 11.507 4.317 1.00 62.33 C ATOM 423 CG1 ILE A 27 -1.212 12.908 4.336 1.00 61.23 C ATOM 424 CG2 ILE A 27 -0.661 10.889 2.902 1.00 51.21 C ATOM 425 CD1 ILE A 27 -0.609 13.855 3.348 1.00 33.43 C ATOM 0 H ILE A 27 -0.659 12.021 6.754 1.00 3.12 H new ATOM 0 HA ILE A 27 -2.382 10.557 5.024 1.00 31.01 H new ATOM 0 HB ILE A 27 0.461 11.566 4.586 1.00 62.33 H new ATOM 0 HG12 ILE A 27 -2.281 12.825 4.138 1.00 61.23 H new ATOM 0 HG13 ILE A 27 -1.105 13.327 5.337 1.00 61.23 H new ATOM 0 HG21 ILE A 27 -0.125 11.528 2.200 1.00 51.21 H new ATOM 0 HG22 ILE A 27 -0.203 9.900 2.915 1.00 51.21 H new ATOM 0 HG23 ILE A 27 -1.702 10.803 2.591 1.00 51.21 H new ATOM 0 HD11 ILE A 27 -1.102 14.824 3.425 1.00 33.43 H new ATOM 0 HD12 ILE A 27 0.454 13.971 3.557 1.00 33.43 H new ATOM 0 HD13 ILE A 27 -0.739 13.461 2.340 1.00 33.43 H new ATOM 437 N TYR A 28 0.385 9.150 6.086 1.00 34.20 N ATOM 438 CA TYR A 28 1.110 7.899 6.268 1.00 33.43 C ATOM 439 C TYR A 28 0.189 6.903 6.970 1.00 53.20 C ATOM 440 O TYR A 28 0.012 5.772 6.529 1.00 73.14 O ATOM 441 CB TYR A 28 2.338 8.158 7.154 1.00 53.34 C ATOM 442 CG TYR A 28 3.362 7.038 7.193 1.00 62.42 C ATOM 443 CD1 TYR A 28 4.401 6.975 6.264 1.00 72.14 C ATOM 444 CD2 TYR A 28 3.295 6.049 8.161 1.00 12.01 C ATOM 445 CE1 TYR A 28 5.326 5.954 6.303 1.00 45.13 C ATOM 446 CE2 TYR A 28 4.222 5.030 8.207 1.00 24.10 C ATOM 447 CZ TYR A 28 5.229 4.983 7.278 1.00 4.24 C ATOM 448 OH TYR A 28 6.152 3.968 7.331 1.00 4.44 O ATOM 0 H TYR A 28 0.829 9.948 6.540 1.00 34.20 H new ATOM 0 HA TYR A 28 1.428 7.502 5.304 1.00 33.43 H new ATOM 0 HB2 TYR A 28 2.831 9.066 6.806 1.00 53.34 H new ATOM 0 HB3 TYR A 28 1.997 8.351 8.171 1.00 53.34 H new ATOM 0 HD1 TYR A 28 4.482 7.737 5.503 1.00 72.14 H new ATOM 0 HD2 TYR A 28 2.502 6.077 8.893 1.00 12.01 H new ATOM 0 HE1 TYR A 28 6.122 5.914 5.574 1.00 45.13 H new ATOM 0 HE2 TYR A 28 4.155 4.271 8.972 1.00 24.10 H new ATOM 0 HH TYR A 28 5.939 3.370 8.078 1.00 4.44 H new ATOM 458 N ARG A 29 -0.438 7.373 8.034 1.00 14.01 N ATOM 459 CA ARG A 29 -1.332 6.571 8.850 1.00 1.35 C ATOM 460 C ARG A 29 -2.582 6.147 8.088 1.00 24.35 C ATOM 461 O ARG A 29 -3.061 5.015 8.243 1.00 21.21 O ATOM 462 CB ARG A 29 -1.708 7.333 10.093 1.00 53.20 C ATOM 463 CG ARG A 29 -0.529 7.565 10.993 1.00 15.41 C ATOM 464 CD ARG A 29 -0.816 8.646 11.980 1.00 33.55 C ATOM 465 NE ARG A 29 0.347 8.931 12.824 1.00 71.20 N ATOM 466 CZ ARG A 29 0.324 9.526 14.016 1.00 15.31 C ATOM 467 NH1 ARG A 29 -0.824 9.939 14.547 1.00 22.11 N ATOM 468 NH2 ARG A 29 1.456 9.708 14.680 1.00 0.21 N ATOM 0 H ARG A 29 -0.339 8.335 8.360 1.00 14.01 H new ATOM 0 HA ARG A 29 -0.802 5.660 9.126 1.00 1.35 H new ATOM 0 HB2 ARG A 29 -2.143 8.292 9.812 1.00 53.20 H new ATOM 0 HB3 ARG A 29 -2.476 6.782 10.637 1.00 53.20 H new ATOM 0 HG2 ARG A 29 -0.281 6.643 11.519 1.00 15.41 H new ATOM 0 HG3 ARG A 29 0.342 7.835 10.396 1.00 15.41 H new ATOM 0 HD2 ARG A 29 -1.113 9.552 11.452 1.00 33.55 H new ATOM 0 HD3 ARG A 29 -1.658 8.352 12.607 1.00 33.55 H new ATOM 0 HE ARG A 29 1.259 8.648 12.466 1.00 71.20 H new ATOM 0 HH11 ARG A 29 -1.699 9.801 14.041 1.00 22.11 H new ATOM 0 HH12 ARG A 29 -0.829 10.393 15.460 1.00 22.11 H new ATOM 0 HH21 ARG A 29 2.339 9.393 14.278 1.00 0.21 H new ATOM 0 HH22 ARG A 29 1.444 10.163 15.593 1.00 0.21 H new ATOM 482 N SER A 30 -3.080 7.041 7.245 1.00 11.52 N ATOM 483 CA SER A 30 -4.257 6.773 6.435 1.00 31.35 C ATOM 484 C SER A 30 -3.945 5.708 5.402 1.00 4.21 C ATOM 485 O SER A 30 -4.803 4.953 4.987 1.00 44.03 O ATOM 486 CB SER A 30 -4.761 8.058 5.772 1.00 63.11 C ATOM 487 OG SER A 30 -5.117 9.030 6.751 1.00 52.00 O ATOM 0 H SER A 30 -2.680 7.969 7.105 1.00 11.52 H new ATOM 0 HA SER A 30 -5.052 6.401 7.081 1.00 31.35 H new ATOM 0 HB2 SER A 30 -3.988 8.461 5.118 1.00 63.11 H new ATOM 0 HB3 SER A 30 -5.624 7.834 5.145 1.00 63.11 H new ATOM 0 HG SER A 30 -4.318 9.527 7.024 1.00 52.00 H new ATOM 493 N PHE A 31 -2.721 5.658 4.991 1.00 11.31 N ATOM 494 CA PHE A 31 -2.294 4.644 4.093 1.00 22.52 C ATOM 495 C PHE A 31 -2.166 3.302 4.803 1.00 14.11 C ATOM 496 O PHE A 31 -2.587 2.261 4.283 1.00 25.43 O ATOM 497 CB PHE A 31 -0.987 5.031 3.443 1.00 44.31 C ATOM 498 CG PHE A 31 -0.344 3.885 2.766 1.00 4.04 C ATOM 499 CD1 PHE A 31 -0.858 3.406 1.581 1.00 64.14 C ATOM 500 CD2 PHE A 31 0.735 3.254 3.345 1.00 2.34 C ATOM 501 CE1 PHE A 31 -0.305 2.311 0.969 1.00 32.30 C ATOM 502 CE2 PHE A 31 1.302 2.152 2.750 1.00 32.45 C ATOM 503 CZ PHE A 31 0.782 1.674 1.554 1.00 53.34 C ATOM 0 H PHE A 31 -1.994 6.317 5.268 1.00 11.31 H new ATOM 0 HA PHE A 31 -3.050 4.540 3.315 1.00 22.52 H new ATOM 0 HB2 PHE A 31 -1.164 5.827 2.719 1.00 44.31 H new ATOM 0 HB3 PHE A 31 -0.311 5.431 4.199 1.00 44.31 H new ATOM 0 HD1 PHE A 31 -1.706 3.899 1.129 1.00 64.14 H new ATOM 0 HD2 PHE A 31 1.139 3.628 4.274 1.00 2.34 H new ATOM 0 HE1 PHE A 31 -0.712 1.946 0.038 1.00 32.30 H new ATOM 0 HE2 PHE A 31 2.147 1.661 3.210 1.00 32.45 H new ATOM 0 HZ PHE A 31 1.222 0.809 1.080 1.00 53.34 H new ATOM 513 N LEU A 32 -1.583 3.336 5.984 1.00 55.43 N ATOM 514 CA LEU A 32 -1.354 2.155 6.787 1.00 40.11 C ATOM 515 C LEU A 32 -2.631 1.377 7.025 1.00 33.54 C ATOM 516 O LEU A 32 -2.624 0.147 7.007 1.00 61.22 O ATOM 517 CB LEU A 32 -0.719 2.554 8.111 1.00 30.04 C ATOM 518 CG LEU A 32 0.676 3.151 8.036 1.00 5.05 C ATOM 519 CD1 LEU A 32 1.153 3.486 9.422 1.00 52.11 C ATOM 520 CD2 LEU A 32 1.656 2.205 7.335 1.00 73.24 C ATOM 0 H LEU A 32 -1.251 4.197 6.418 1.00 55.43 H new ATOM 0 HA LEU A 32 -0.676 1.500 6.240 1.00 40.11 H new ATOM 0 HB2 LEU A 32 -1.374 3.275 8.601 1.00 30.04 H new ATOM 0 HB3 LEU A 32 -0.680 1.673 8.751 1.00 30.04 H new ATOM 0 HG LEU A 32 0.631 4.063 7.441 1.00 5.05 H new ATOM 0 HD11 LEU A 32 2.154 3.914 9.369 1.00 52.11 H new ATOM 0 HD12 LEU A 32 0.473 4.207 9.876 1.00 52.11 H new ATOM 0 HD13 LEU A 32 1.178 2.580 10.027 1.00 52.11 H new ATOM 0 HD21 LEU A 32 2.644 2.665 7.300 1.00 73.24 H new ATOM 0 HD22 LEU A 32 1.713 1.266 7.886 1.00 73.24 H new ATOM 0 HD23 LEU A 32 1.310 2.010 6.320 1.00 73.24 H new ATOM 532 N GLU A 33 -3.727 2.095 7.173 1.00 25.03 N ATOM 533 CA GLU A 33 -5.009 1.489 7.444 1.00 54.31 C ATOM 534 C GLU A 33 -5.518 0.722 6.207 1.00 1.00 C ATOM 535 O GLU A 33 -6.184 -0.305 6.328 1.00 10.45 O ATOM 536 CB GLU A 33 -6.005 2.563 7.899 1.00 11.21 C ATOM 537 CG GLU A 33 -6.650 3.384 6.792 1.00 43.21 C ATOM 538 CD GLU A 33 -7.572 4.442 7.336 1.00 70.43 C ATOM 539 OE1 GLU A 33 -8.687 4.100 7.765 1.00 41.24 O ATOM 540 OE2 GLU A 33 -7.211 5.639 7.320 1.00 51.13 O ATOM 0 H GLU A 33 -3.751 3.113 7.108 1.00 25.03 H new ATOM 0 HA GLU A 33 -4.903 0.764 8.251 1.00 54.31 H new ATOM 0 HB2 GLU A 33 -6.795 2.078 8.473 1.00 11.21 H new ATOM 0 HB3 GLU A 33 -5.491 3.244 8.577 1.00 11.21 H new ATOM 0 HG2 GLU A 33 -5.873 3.855 6.191 1.00 43.21 H new ATOM 0 HG3 GLU A 33 -7.208 2.723 6.129 1.00 43.21 H new ATOM 547 N ILE A 34 -5.137 1.200 5.024 1.00 14.15 N ATOM 548 CA ILE A 34 -5.513 0.605 3.767 1.00 32.11 C ATOM 549 C ILE A 34 -4.775 -0.698 3.611 1.00 51.34 C ATOM 550 O ILE A 34 -5.356 -1.699 3.268 1.00 42.23 O ATOM 551 CB ILE A 34 -5.138 1.566 2.607 1.00 73.32 C ATOM 552 CG1 ILE A 34 -5.927 2.868 2.742 1.00 21.30 C ATOM 553 CG2 ILE A 34 -5.319 0.923 1.224 1.00 63.14 C ATOM 554 CD1 ILE A 34 -5.471 3.963 1.816 1.00 32.13 C ATOM 0 H ILE A 34 -4.548 2.027 4.923 1.00 14.15 H new ATOM 0 HA ILE A 34 -6.588 0.425 3.744 1.00 32.11 H new ATOM 0 HB ILE A 34 -4.075 1.792 2.686 1.00 73.32 H new ATOM 0 HG12 ILE A 34 -6.981 2.663 2.553 1.00 21.30 H new ATOM 0 HG13 ILE A 34 -5.851 3.221 3.770 1.00 21.30 H new ATOM 0 HG21 ILE A 34 -5.042 1.640 0.451 1.00 63.14 H new ATOM 0 HG22 ILE A 34 -4.682 0.042 1.146 1.00 63.14 H new ATOM 0 HG23 ILE A 34 -6.361 0.631 1.092 1.00 63.14 H new ATOM 0 HD11 ILE A 34 -6.082 4.852 1.975 1.00 32.13 H new ATOM 0 HD12 ILE A 34 -4.426 4.199 2.019 1.00 32.13 H new ATOM 0 HD13 ILE A 34 -5.574 3.632 0.783 1.00 32.13 H new ATOM 566 N LEU A 35 -3.496 -0.676 3.913 1.00 45.01 N ATOM 567 CA LEU A 35 -2.673 -1.844 3.820 1.00 13.41 C ATOM 568 C LEU A 35 -3.140 -2.864 4.885 1.00 14.25 C ATOM 569 O LEU A 35 -3.174 -4.075 4.644 1.00 63.04 O ATOM 570 CB LEU A 35 -1.220 -1.400 4.040 1.00 63.23 C ATOM 571 CG LEU A 35 -0.089 -2.290 3.503 1.00 25.44 C ATOM 572 CD1 LEU A 35 -0.016 -3.636 4.206 1.00 62.54 C ATOM 573 CD2 LEU A 35 -0.207 -2.475 1.993 1.00 73.21 C ATOM 0 H LEU A 35 -3.003 0.159 4.230 1.00 45.01 H new ATOM 0 HA LEU A 35 -2.749 -2.328 2.846 1.00 13.41 H new ATOM 0 HB2 LEU A 35 -1.105 -0.413 3.593 1.00 63.23 H new ATOM 0 HB3 LEU A 35 -1.068 -1.284 5.113 1.00 63.23 H new ATOM 0 HG LEU A 35 0.844 -1.769 3.719 1.00 25.44 H new ATOM 0 HD11 LEU A 35 0.801 -4.222 3.786 1.00 62.54 H new ATOM 0 HD12 LEU A 35 0.159 -3.481 5.271 1.00 62.54 H new ATOM 0 HD13 LEU A 35 -0.955 -4.171 4.066 1.00 62.54 H new ATOM 0 HD21 LEU A 35 0.606 -3.109 1.639 1.00 73.21 H new ATOM 0 HD22 LEU A 35 -1.162 -2.945 1.758 1.00 73.21 H new ATOM 0 HD23 LEU A 35 -0.149 -1.504 1.502 1.00 73.21 H new ATOM 585 N HIS A 36 -3.551 -2.344 6.026 1.00 33.51 N ATOM 586 CA HIS A 36 -4.045 -3.143 7.140 1.00 14.13 C ATOM 587 C HIS A 36 -5.333 -3.879 6.716 1.00 2.10 C ATOM 588 O HIS A 36 -5.437 -5.100 6.857 1.00 25.12 O ATOM 589 CB HIS A 36 -4.328 -2.206 8.342 1.00 2.24 C ATOM 590 CG HIS A 36 -4.543 -2.873 9.677 1.00 24.14 C ATOM 591 ND1 HIS A 36 -4.147 -2.318 10.883 1.00 21.22 N ATOM 592 CD2 HIS A 36 -5.149 -4.041 9.994 1.00 45.44 C ATOM 593 CE1 HIS A 36 -4.513 -3.142 11.863 1.00 40.55 C ATOM 594 NE2 HIS A 36 -5.131 -4.212 11.379 1.00 13.01 N ATOM 0 H HIS A 36 -3.553 -1.341 6.211 1.00 33.51 H new ATOM 0 HA HIS A 36 -3.301 -3.885 7.430 1.00 14.13 H new ATOM 0 HB2 HIS A 36 -3.493 -1.512 8.438 1.00 2.24 H new ATOM 0 HB3 HIS A 36 -5.212 -1.612 8.111 1.00 2.24 H new ATOM 0 HD2 HIS A 36 -5.580 -4.733 9.285 1.00 45.44 H new ATOM 0 HE1 HIS A 36 -4.331 -2.963 12.912 1.00 40.55 H new ATOM 0 HE2 HIS A 36 -5.513 -4.996 11.909 1.00 13.01 H new ATOM 602 N THR A 37 -6.276 -3.134 6.144 1.00 70.33 N ATOM 603 CA THR A 37 -7.554 -3.688 5.746 1.00 75.14 C ATOM 604 C THR A 37 -7.357 -4.599 4.519 1.00 1.44 C ATOM 605 O THR A 37 -8.077 -5.591 4.316 1.00 21.41 O ATOM 606 CB THR A 37 -8.580 -2.541 5.456 1.00 14.14 C ATOM 607 OG1 THR A 37 -9.920 -3.040 5.441 1.00 54.45 O ATOM 608 CG2 THR A 37 -8.319 -1.859 4.131 1.00 21.21 C ATOM 0 H THR A 37 -6.171 -2.139 5.948 1.00 70.33 H new ATOM 0 HA THR A 37 -7.962 -4.290 6.558 1.00 75.14 H new ATOM 0 HB THR A 37 -8.454 -1.817 6.261 1.00 14.14 H new ATOM 0 HG1 THR A 37 -10.541 -2.304 5.259 1.00 54.45 H new ATOM 0 HG21 THR A 37 -9.056 -1.072 3.976 1.00 21.21 H new ATOM 0 HG22 THR A 37 -7.319 -1.424 4.136 1.00 21.21 H new ATOM 0 HG23 THR A 37 -8.393 -2.589 3.325 1.00 21.21 H new ATOM 616 N TYR A 38 -6.336 -4.273 3.749 1.00 14.33 N ATOM 617 CA TYR A 38 -5.961 -5.011 2.569 1.00 50.32 C ATOM 618 C TYR A 38 -5.574 -6.427 2.953 1.00 53.32 C ATOM 619 O TYR A 38 -6.068 -7.390 2.385 1.00 1.11 O ATOM 620 CB TYR A 38 -4.789 -4.318 1.868 1.00 61.20 C ATOM 621 CG TYR A 38 -4.454 -4.876 0.528 1.00 21.11 C ATOM 622 CD1 TYR A 38 -5.282 -4.630 -0.515 1.00 13.10 C ATOM 623 CD2 TYR A 38 -3.321 -5.643 0.306 1.00 13.33 C ATOM 624 CE1 TYR A 38 -5.024 -5.114 -1.775 1.00 23.30 C ATOM 625 CE2 TYR A 38 -3.047 -6.142 -0.953 1.00 23.24 C ATOM 626 CZ TYR A 38 -3.915 -5.864 -1.992 1.00 20.04 C ATOM 627 OH TYR A 38 -3.674 -6.353 -3.241 1.00 64.51 O ATOM 0 H TYR A 38 -5.735 -3.470 3.935 1.00 14.33 H new ATOM 0 HA TYR A 38 -6.809 -5.046 1.884 1.00 50.32 H new ATOM 0 HB2 TYR A 38 -5.022 -3.259 1.759 1.00 61.20 H new ATOM 0 HB3 TYR A 38 -3.908 -4.386 2.507 1.00 61.20 H new ATOM 0 HD1 TYR A 38 -6.170 -4.037 -0.352 1.00 13.10 H new ATOM 0 HD2 TYR A 38 -2.647 -5.852 1.124 1.00 13.33 H new ATOM 0 HE1 TYR A 38 -5.701 -4.898 -2.588 1.00 23.30 H new ATOM 0 HE2 TYR A 38 -2.165 -6.742 -1.123 1.00 23.24 H new ATOM 0 HH TYR A 38 -2.841 -6.869 -3.235 1.00 64.51 H new ATOM 637 N GLN A 39 -4.725 -6.543 3.958 1.00 43.01 N ATOM 638 CA GLN A 39 -4.267 -7.841 4.431 1.00 45.15 C ATOM 639 C GLN A 39 -5.388 -8.617 5.097 1.00 15.03 C ATOM 640 O GLN A 39 -5.367 -9.846 5.139 1.00 2.11 O ATOM 641 CB GLN A 39 -3.081 -7.691 5.373 1.00 12.32 C ATOM 642 CG GLN A 39 -1.824 -7.189 4.690 1.00 73.32 C ATOM 643 CD GLN A 39 -1.314 -8.158 3.641 1.00 52.24 C ATOM 644 OE1 GLN A 39 -1.750 -7.999 2.422 1.00 70.51 O flip ATOM 645 NE2 GLN A 39 -0.520 -9.044 3.941 1.00 72.54 N flip ATOM 0 H GLN A 39 -4.335 -5.749 4.467 1.00 43.01 H new ATOM 0 HA GLN A 39 -3.941 -8.410 3.560 1.00 45.15 H new ATOM 0 HB2 GLN A 39 -3.349 -7.002 6.174 1.00 12.32 H new ATOM 0 HB3 GLN A 39 -2.872 -8.655 5.837 1.00 12.32 H new ATOM 0 HG2 GLN A 39 -2.027 -6.225 4.223 1.00 73.32 H new ATOM 0 HG3 GLN A 39 -1.048 -7.024 5.437 1.00 73.32 H new ATOM 0 HE21 GLN A 39 -0.201 -9.138 4.905 1.00 72.54 H new ATOM 0 HE22 GLN A 39 -0.179 -9.687 3.226 1.00 72.54 H new ATOM 904 N GLU A 55 -8.359 -5.026 -5.584 1.00 72.31 N ATOM 905 CA GLU A 55 -7.154 -4.255 -5.649 1.00 63.01 C ATOM 906 C GLU A 55 -7.452 -2.857 -6.201 1.00 13.24 C ATOM 907 O GLU A 55 -6.802 -1.890 -5.843 1.00 32.11 O ATOM 908 CB GLU A 55 -6.150 -4.979 -6.516 1.00 25.34 C ATOM 909 CG GLU A 55 -4.858 -4.260 -6.630 1.00 55.20 C ATOM 910 CD GLU A 55 -3.891 -4.923 -7.556 1.00 31.23 C ATOM 911 OE1 GLU A 55 -3.974 -4.691 -8.785 1.00 64.04 O ATOM 912 OE2 GLU A 55 -3.010 -5.652 -7.089 1.00 43.40 O ATOM 0 HA GLU A 55 -6.736 -4.137 -4.649 1.00 63.01 H new ATOM 0 HB2 GLU A 55 -5.972 -5.972 -6.104 1.00 25.34 H new ATOM 0 HB3 GLU A 55 -6.571 -5.118 -7.512 1.00 25.34 H new ATOM 0 HG2 GLU A 55 -5.045 -3.244 -6.978 1.00 55.20 H new ATOM 0 HG3 GLU A 55 -4.406 -4.180 -5.641 1.00 55.20 H new ATOM 919 N GLU A 56 -8.476 -2.783 -7.027 1.00 24.50 N ATOM 920 CA GLU A 56 -8.956 -1.548 -7.607 1.00 63.44 C ATOM 921 C GLU A 56 -9.297 -0.531 -6.511 1.00 50.23 C ATOM 922 O GLU A 56 -8.731 0.552 -6.474 1.00 64.01 O ATOM 923 CB GLU A 56 -10.199 -1.830 -8.430 1.00 62.24 C ATOM 924 CG GLU A 56 -10.724 -0.633 -9.189 1.00 3.44 C ATOM 925 CD GLU A 56 -12.053 -0.911 -9.820 1.00 31.15 C ATOM 926 OE1 GLU A 56 -12.172 -1.891 -10.578 1.00 71.23 O ATOM 927 OE2 GLU A 56 -13.029 -0.183 -9.533 1.00 2.23 O ATOM 0 H GLU A 56 -9.010 -3.601 -7.320 1.00 24.50 H new ATOM 0 HA GLU A 56 -8.172 -1.132 -8.240 1.00 63.44 H new ATOM 0 HB2 GLU A 56 -9.978 -2.628 -9.139 1.00 62.24 H new ATOM 0 HB3 GLU A 56 -10.983 -2.199 -7.769 1.00 62.24 H new ATOM 0 HG2 GLU A 56 -10.814 0.216 -8.511 1.00 3.44 H new ATOM 0 HG3 GLU A 56 -10.008 -0.350 -9.960 1.00 3.44 H new ATOM 934 N GLU A 57 -10.165 -0.939 -5.569 1.00 50.40 N ATOM 935 CA GLU A 57 -10.653 -0.053 -4.505 1.00 0.44 C ATOM 936 C GLU A 57 -9.513 0.304 -3.571 1.00 31.15 C ATOM 937 O GLU A 57 -9.532 1.335 -2.887 1.00 70.22 O ATOM 938 CB GLU A 57 -11.795 -0.723 -3.729 1.00 53.33 C ATOM 939 CG GLU A 57 -11.325 -1.693 -2.681 1.00 73.03 C ATOM 940 CD GLU A 57 -12.428 -2.418 -2.000 1.00 60.32 C ATOM 941 OE1 GLU A 57 -12.988 -3.339 -2.607 1.00 41.24 O ATOM 942 OE2 GLU A 57 -12.751 -2.101 -0.839 1.00 23.43 O ATOM 0 H GLU A 57 -10.544 -1.885 -5.526 1.00 50.40 H new ATOM 0 HA GLU A 57 -11.039 0.861 -4.956 1.00 0.44 H new ATOM 0 HB2 GLU A 57 -12.400 0.048 -3.253 1.00 53.33 H new ATOM 0 HB3 GLU A 57 -12.442 -1.247 -4.432 1.00 53.33 H new ATOM 0 HG2 GLU A 57 -10.657 -2.419 -3.144 1.00 73.03 H new ATOM 0 HG3 GLU A 57 -10.742 -1.153 -1.935 1.00 73.03 H new ATOM 949 N VAL A 58 -8.529 -0.552 -3.564 1.00 61.10 N ATOM 950 CA VAL A 58 -7.377 -0.389 -2.788 1.00 43.24 C ATOM 951 C VAL A 58 -6.507 0.667 -3.416 1.00 62.11 C ATOM 952 O VAL A 58 -6.198 1.685 -2.792 1.00 14.32 O ATOM 953 CB VAL A 58 -6.639 -1.729 -2.729 1.00 14.23 C ATOM 954 CG1 VAL A 58 -5.258 -1.595 -2.152 1.00 30.43 C ATOM 955 CG2 VAL A 58 -7.441 -2.682 -1.908 1.00 11.34 C ATOM 0 H VAL A 58 -8.527 -1.404 -4.125 1.00 61.10 H new ATOM 0 HA VAL A 58 -7.633 -0.074 -1.776 1.00 43.24 H new ATOM 0 HB VAL A 58 -6.525 -2.099 -3.748 1.00 14.23 H new ATOM 0 HG11 VAL A 58 -4.776 -2.572 -2.131 1.00 30.43 H new ATOM 0 HG12 VAL A 58 -4.671 -0.914 -2.768 1.00 30.43 H new ATOM 0 HG13 VAL A 58 -5.324 -1.202 -1.138 1.00 30.43 H new ATOM 0 HG21 VAL A 58 -6.926 -3.641 -1.858 1.00 11.34 H new ATOM 0 HG22 VAL A 58 -7.562 -2.282 -0.901 1.00 11.34 H new ATOM 0 HG23 VAL A 58 -8.421 -2.820 -2.364 1.00 11.34 H new ATOM 965 N PHE A 59 -6.200 0.460 -4.685 1.00 40.02 N ATOM 966 CA PHE A 59 -5.329 1.320 -5.425 1.00 31.54 C ATOM 967 C PHE A 59 -5.930 2.706 -5.526 1.00 1.15 C ATOM 968 O PHE A 59 -5.212 3.669 -5.490 1.00 51.24 O ATOM 969 CB PHE A 59 -5.022 0.743 -6.814 1.00 75.35 C ATOM 970 CG PHE A 59 -3.847 1.403 -7.491 1.00 61.41 C ATOM 971 CD1 PHE A 59 -2.567 0.909 -7.300 1.00 4.31 C ATOM 972 CD2 PHE A 59 -4.016 2.515 -8.302 1.00 31.33 C ATOM 973 CE1 PHE A 59 -1.481 1.509 -7.903 1.00 43.43 C ATOM 974 CE2 PHE A 59 -2.932 3.116 -8.906 1.00 72.11 C ATOM 975 CZ PHE A 59 -1.663 2.613 -8.707 1.00 21.41 C ATOM 0 H PHE A 59 -6.561 -0.325 -5.227 1.00 40.02 H new ATOM 0 HA PHE A 59 -4.382 1.393 -4.891 1.00 31.54 H new ATOM 0 HB2 PHE A 59 -4.825 -0.325 -6.720 1.00 75.35 H new ATOM 0 HB3 PHE A 59 -5.903 0.850 -7.446 1.00 75.35 H new ATOM 0 HD1 PHE A 59 -2.417 0.044 -6.671 1.00 4.31 H new ATOM 0 HD2 PHE A 59 -5.007 2.914 -8.462 1.00 31.33 H new ATOM 0 HE1 PHE A 59 -0.489 1.114 -7.745 1.00 43.43 H new ATOM 0 HE2 PHE A 59 -3.077 3.982 -9.536 1.00 72.11 H new ATOM 0 HZ PHE A 59 -0.814 3.084 -9.180 1.00 21.41 H new ATOM 985 N THR A 60 -7.252 2.792 -5.607 1.00 15.21 N ATOM 986 CA THR A 60 -7.942 4.012 -5.616 1.00 45.03 C ATOM 987 C THR A 60 -7.583 4.875 -4.392 1.00 55.04 C ATOM 988 O THR A 60 -7.227 6.042 -4.540 1.00 11.42 O ATOM 989 CB THR A 60 -9.432 3.707 -5.632 1.00 2.20 C ATOM 990 OG1 THR A 60 -9.786 3.112 -6.886 1.00 44.53 O ATOM 991 CG2 THR A 60 -10.217 4.937 -5.400 1.00 70.51 C ATOM 0 H THR A 60 -7.861 1.976 -5.669 1.00 15.21 H new ATOM 0 HA THR A 60 -7.658 4.583 -6.500 1.00 45.03 H new ATOM 0 HB THR A 60 -9.660 3.006 -4.829 1.00 2.20 H new ATOM 0 HG1 THR A 60 -9.490 2.178 -6.900 1.00 44.53 H new ATOM 0 HG21 THR A 60 -11.280 4.698 -5.415 1.00 70.51 H new ATOM 0 HG22 THR A 60 -9.954 5.359 -4.430 1.00 70.51 H new ATOM 0 HG23 THR A 60 -9.997 5.662 -6.183 1.00 70.51 H new ATOM 999 N GLU A 61 -7.593 4.277 -3.213 1.00 54.55 N ATOM 1000 CA GLU A 61 -7.355 5.012 -2.004 1.00 13.33 C ATOM 1001 C GLU A 61 -5.888 5.321 -1.860 1.00 51.52 C ATOM 1002 O GLU A 61 -5.522 6.345 -1.319 1.00 62.13 O ATOM 1003 CB GLU A 61 -7.851 4.221 -0.835 1.00 1.02 C ATOM 1004 CG GLU A 61 -9.323 3.995 -0.912 1.00 31.12 C ATOM 1005 CD GLU A 61 -10.141 5.243 -0.706 1.00 12.32 C ATOM 1006 OE1 GLU A 61 -10.439 5.957 -1.683 1.00 53.34 O ATOM 1007 OE2 GLU A 61 -10.533 5.511 0.432 1.00 43.44 O ATOM 0 H GLU A 61 -7.765 3.281 -3.078 1.00 54.55 H new ATOM 0 HA GLU A 61 -7.895 5.958 -2.043 1.00 13.33 H new ATOM 0 HB2 GLU A 61 -7.336 3.261 -0.799 1.00 1.02 H new ATOM 0 HB3 GLU A 61 -7.610 4.746 0.089 1.00 1.02 H new ATOM 0 HG2 GLU A 61 -9.565 3.569 -1.886 1.00 31.12 H new ATOM 0 HG3 GLU A 61 -9.608 3.257 -0.162 1.00 31.12 H new ATOM 1014 N VAL A 62 -5.059 4.427 -2.371 1.00 35.52 N ATOM 1015 CA VAL A 62 -3.616 4.598 -2.368 1.00 5.12 C ATOM 1016 C VAL A 62 -3.211 5.703 -3.369 1.00 31.30 C ATOM 1017 O VAL A 62 -2.358 6.533 -3.086 1.00 13.55 O ATOM 1018 CB VAL A 62 -2.905 3.262 -2.708 1.00 30.51 C ATOM 1019 CG1 VAL A 62 -1.409 3.407 -2.635 1.00 25.33 C ATOM 1020 CG2 VAL A 62 -3.349 2.179 -1.754 1.00 43.10 C ATOM 0 H VAL A 62 -5.370 3.557 -2.802 1.00 35.52 H new ATOM 0 HA VAL A 62 -3.303 4.901 -1.369 1.00 5.12 H new ATOM 0 HB VAL A 62 -3.179 2.990 -3.727 1.00 30.51 H new ATOM 0 HG11 VAL A 62 -0.939 2.454 -2.878 1.00 25.33 H new ATOM 0 HG12 VAL A 62 -1.082 4.165 -3.346 1.00 25.33 H new ATOM 0 HG13 VAL A 62 -1.121 3.707 -1.627 1.00 25.33 H new ATOM 0 HG21 VAL A 62 -2.843 1.246 -2.002 1.00 43.10 H new ATOM 0 HG22 VAL A 62 -3.098 2.468 -0.733 1.00 43.10 H new ATOM 0 HG23 VAL A 62 -4.427 2.041 -1.837 1.00 43.10 H new ATOM 1030 N ALA A 63 -3.863 5.720 -4.510 1.00 11.35 N ATOM 1031 CA ALA A 63 -3.661 6.746 -5.536 1.00 24.01 C ATOM 1032 C ALA A 63 -4.185 8.080 -5.043 1.00 24.43 C ATOM 1033 O ALA A 63 -3.742 9.121 -5.457 1.00 31.31 O ATOM 1034 CB ALA A 63 -4.341 6.355 -6.834 1.00 53.02 C ATOM 0 H ALA A 63 -4.558 5.019 -4.765 1.00 11.35 H new ATOM 0 HA ALA A 63 -2.592 6.835 -5.731 1.00 24.01 H new ATOM 0 HB1 ALA A 63 -4.176 7.133 -7.580 1.00 53.02 H new ATOM 0 HB2 ALA A 63 -3.925 5.414 -7.194 1.00 53.02 H new ATOM 0 HB3 ALA A 63 -5.411 6.237 -6.663 1.00 53.02 H new ATOM 1040 N ASN A 64 -5.182 8.009 -4.210 1.00 15.10 N ATOM 1041 CA ASN A 64 -5.758 9.158 -3.526 1.00 21.12 C ATOM 1042 C ASN A 64 -4.836 9.654 -2.404 1.00 31.32 C ATOM 1043 O ASN A 64 -4.751 10.851 -2.120 1.00 32.32 O ATOM 1044 CB ASN A 64 -7.130 8.744 -3.000 1.00 54.11 C ATOM 1045 CG ASN A 64 -7.620 9.467 -1.765 1.00 13.52 C ATOM 1046 OD1 ASN A 64 -8.227 10.537 -1.845 1.00 13.24 O ATOM 1047 ND2 ASN A 64 -7.414 8.851 -0.623 1.00 40.53 N ATOM 0 H ASN A 64 -5.639 7.129 -3.972 1.00 15.10 H new ATOM 0 HA ASN A 64 -5.869 9.996 -4.215 1.00 21.12 H new ATOM 0 HB2 ASN A 64 -7.860 8.892 -3.795 1.00 54.11 H new ATOM 0 HB3 ASN A 64 -7.106 7.676 -2.784 1.00 54.11 H new ATOM 0 HD21 ASN A 64 -7.762 9.257 0.246 1.00 40.53 H new ATOM 0 HD22 ASN A 64 -6.906 7.967 -0.605 1.00 40.53 H new ATOM 1054 N LEU A 65 -4.128 8.722 -1.815 1.00 25.41 N ATOM 1055 CA LEU A 65 -3.227 8.942 -0.720 1.00 3.32 C ATOM 1056 C LEU A 65 -1.974 9.655 -1.275 1.00 41.14 C ATOM 1057 O LEU A 65 -1.648 10.772 -0.883 1.00 63.25 O ATOM 1058 CB LEU A 65 -2.835 7.548 -0.221 1.00 10.24 C ATOM 1059 CG LEU A 65 -2.379 7.304 1.190 1.00 14.31 C ATOM 1060 CD1 LEU A 65 -1.159 8.047 1.497 1.00 74.34 C ATOM 1061 CD2 LEU A 65 -3.438 7.538 2.211 1.00 41.14 C ATOM 0 H LEU A 65 -4.169 7.744 -2.103 1.00 25.41 H new ATOM 0 HA LEU A 65 -3.666 9.544 0.076 1.00 3.32 H new ATOM 0 HB2 LEU A 65 -3.696 6.901 -0.389 1.00 10.24 H new ATOM 0 HB3 LEU A 65 -2.038 7.194 -0.874 1.00 10.24 H new ATOM 0 HG LEU A 65 -2.149 6.240 1.246 1.00 14.31 H new ATOM 0 HD11 LEU A 65 -0.860 7.846 2.526 1.00 74.34 H new ATOM 0 HD12 LEU A 65 -0.363 7.736 0.820 1.00 74.34 H new ATOM 0 HD13 LEU A 65 -1.343 9.114 1.375 1.00 74.34 H new ATOM 0 HD21 LEU A 65 -3.035 7.342 3.205 1.00 41.14 H new ATOM 0 HD22 LEU A 65 -3.776 8.573 2.154 1.00 41.14 H new ATOM 0 HD23 LEU A 65 -4.279 6.871 2.022 1.00 41.14 H new ATOM 1073 N PHE A 66 -1.326 9.007 -2.238 1.00 25.25 N ATOM 1074 CA PHE A 66 -0.079 9.491 -2.826 1.00 60.50 C ATOM 1075 C PHE A 66 -0.357 10.115 -4.188 1.00 60.42 C ATOM 1076 O PHE A 66 0.424 9.948 -5.126 1.00 61.13 O ATOM 1077 CB PHE A 66 0.903 8.320 -3.031 1.00 43.12 C ATOM 1078 CG PHE A 66 1.127 7.449 -1.839 1.00 74.14 C ATOM 1079 CD1 PHE A 66 1.678 7.951 -0.689 1.00 42.52 C ATOM 1080 CD2 PHE A 66 0.793 6.113 -1.883 1.00 34.40 C ATOM 1081 CE1 PHE A 66 1.888 7.140 0.398 1.00 72.43 C ATOM 1082 CE2 PHE A 66 1.002 5.298 -0.800 1.00 14.03 C ATOM 1083 CZ PHE A 66 1.549 5.812 0.343 1.00 22.44 C ATOM 0 H PHE A 66 -1.652 8.126 -2.636 1.00 25.25 H new ATOM 0 HA PHE A 66 0.353 10.229 -2.150 1.00 60.50 H new ATOM 0 HB2 PHE A 66 0.535 7.699 -3.848 1.00 43.12 H new ATOM 0 HB3 PHE A 66 1.864 8.726 -3.347 1.00 43.12 H new ATOM 0 HD1 PHE A 66 1.950 8.995 -0.638 1.00 42.52 H new ATOM 0 HD2 PHE A 66 0.360 5.702 -2.783 1.00 34.40 H new ATOM 0 HE1 PHE A 66 2.321 7.548 1.299 1.00 72.43 H new ATOM 0 HE2 PHE A 66 0.735 4.253 -0.850 1.00 14.03 H new ATOM 0 HZ PHE A 66 1.714 5.175 1.199 1.00 22.44 H new ATOM 1093 N ARG A 67 -1.443 10.845 -4.289 1.00 44.50 N ATOM 1094 CA ARG A 67 -1.841 11.465 -5.527 1.00 53.13 C ATOM 1095 C ARG A 67 -0.782 12.416 -6.073 1.00 1.54 C ATOM 1096 O ARG A 67 -0.262 13.280 -5.358 1.00 61.15 O ATOM 1097 CB ARG A 67 -3.188 12.152 -5.383 1.00 52.51 C ATOM 1098 CG ARG A 67 -3.316 13.112 -4.218 1.00 63.23 C ATOM 1099 CD ARG A 67 -4.667 13.791 -4.255 1.00 4.22 C ATOM 1100 NE ARG A 67 -4.797 14.630 -5.452 1.00 3.43 N ATOM 1101 CZ ARG A 67 -5.858 14.697 -6.262 1.00 51.02 C ATOM 1102 NH1 ARG A 67 -6.932 13.935 -6.048 1.00 11.22 N ATOM 1103 NH2 ARG A 67 -5.825 15.513 -7.300 1.00 31.11 N ATOM 0 H ARG A 67 -2.077 11.025 -3.510 1.00 44.50 H new ATOM 0 HA ARG A 67 -1.945 10.668 -6.263 1.00 53.13 H new ATOM 0 HB2 ARG A 67 -3.397 12.697 -6.303 1.00 52.51 H new ATOM 0 HB3 ARG A 67 -3.957 11.386 -5.284 1.00 52.51 H new ATOM 0 HG2 ARG A 67 -3.196 12.574 -3.278 1.00 63.23 H new ATOM 0 HG3 ARG A 67 -2.523 13.859 -4.262 1.00 63.23 H new ATOM 0 HD2 ARG A 67 -5.457 13.040 -4.245 1.00 4.22 H new ATOM 0 HD3 ARG A 67 -4.796 14.402 -3.362 1.00 4.22 H new ATOM 0 HE ARG A 67 -3.999 15.220 -5.689 1.00 3.43 H new ATOM 0 HH11 ARG A 67 -6.951 13.290 -5.258 1.00 11.22 H new ATOM 0 HH12 ARG A 67 -7.734 13.997 -6.675 1.00 11.22 H new ATOM 0 HH21 ARG A 67 -4.997 16.082 -7.475 1.00 31.11 H new ATOM 0 HH22 ARG A 67 -6.628 15.574 -7.926 1.00 31.11 H new ATOM 1117 N GLY A 68 -0.431 12.213 -7.323 1.00 5.10 N ATOM 1118 CA GLY A 68 0.580 13.017 -7.960 1.00 51.01 C ATOM 1119 C GLY A 68 1.929 12.350 -7.882 1.00 51.13 C ATOM 1120 O GLY A 68 2.767 12.504 -8.765 1.00 25.51 O ATOM 0 H GLY A 68 -0.836 11.492 -7.920 1.00 5.10 H new ATOM 0 HA2 GLY A 68 0.313 13.184 -9.003 1.00 51.01 H new ATOM 0 HA3 GLY A 68 0.626 13.996 -7.482 1.00 51.01 H new ATOM 1124 N GLN A 69 2.127 11.581 -6.839 1.00 11.03 N ATOM 1125 CA GLN A 69 3.350 10.861 -6.604 1.00 72.11 C ATOM 1126 C GLN A 69 3.224 9.478 -7.245 1.00 1.11 C ATOM 1127 O GLN A 69 3.391 8.447 -6.585 1.00 44.42 O ATOM 1128 CB GLN A 69 3.535 10.714 -5.098 1.00 14.22 C ATOM 1129 CG GLN A 69 3.484 12.024 -4.320 1.00 61.31 C ATOM 1130 CD GLN A 69 4.632 12.940 -4.594 1.00 63.22 C ATOM 1131 OE1 GLN A 69 5.669 12.869 -3.946 1.00 21.31 O ATOM 1132 NE2 GLN A 69 4.456 13.828 -5.497 1.00 14.44 N ATOM 0 H GLN A 69 1.424 11.437 -6.114 1.00 11.03 H new ATOM 0 HA GLN A 69 4.204 11.387 -7.031 1.00 72.11 H new ATOM 0 HB2 GLN A 69 2.762 10.048 -4.714 1.00 14.22 H new ATOM 0 HB3 GLN A 69 4.494 10.232 -4.909 1.00 14.22 H new ATOM 0 HG2 GLN A 69 2.555 12.541 -4.560 1.00 61.31 H new ATOM 0 HG3 GLN A 69 3.458 11.800 -3.254 1.00 61.31 H new ATOM 0 HE21 GLN A 69 3.580 13.859 -6.018 1.00 14.44 H new ATOM 0 HE22 GLN A 69 5.192 14.506 -5.696 1.00 14.44 H new ATOM 1141 N GLU A 70 2.983 9.470 -8.550 1.00 73.44 N ATOM 1142 CA GLU A 70 2.749 8.241 -9.314 1.00 25.34 C ATOM 1143 C GLU A 70 3.981 7.349 -9.338 1.00 13.40 C ATOM 1144 O GLU A 70 3.892 6.140 -9.575 1.00 41.44 O ATOM 1145 CB GLU A 70 2.279 8.567 -10.716 1.00 54.10 C ATOM 1146 CG GLU A 70 0.992 9.365 -10.742 1.00 40.10 C ATOM 1147 CD GLU A 70 0.516 9.622 -12.130 1.00 43.02 C ATOM 1148 OE1 GLU A 70 -0.216 8.776 -12.686 1.00 74.11 O ATOM 1149 OE2 GLU A 70 0.876 10.672 -12.708 1.00 34.21 O ATOM 0 H GLU A 70 2.943 10.318 -9.115 1.00 73.44 H new ATOM 0 HA GLU A 70 1.960 7.682 -8.811 1.00 25.34 H new ATOM 0 HB2 GLU A 70 3.058 9.128 -11.232 1.00 54.10 H new ATOM 0 HB3 GLU A 70 2.135 7.639 -11.269 1.00 54.10 H new ATOM 0 HG2 GLU A 70 0.222 8.827 -10.190 1.00 40.10 H new ATOM 0 HG3 GLU A 70 1.146 10.315 -10.231 1.00 40.10 H new ATOM 1156 N ASP A 71 5.110 7.959 -9.053 1.00 11.11 N ATOM 1157 CA ASP A 71 6.396 7.282 -8.915 1.00 32.12 C ATOM 1158 C ASP A 71 6.283 6.172 -7.872 1.00 14.22 C ATOM 1159 O ASP A 71 6.730 5.043 -8.091 1.00 55.10 O ATOM 1160 CB ASP A 71 7.437 8.320 -8.486 1.00 55.43 C ATOM 1161 CG ASP A 71 8.853 7.804 -8.331 1.00 53.51 C ATOM 1162 OD1 ASP A 71 9.518 7.542 -9.351 1.00 74.33 O ATOM 1163 OD2 ASP A 71 9.361 7.779 -7.202 1.00 72.50 O ATOM 0 H ASP A 71 5.169 8.967 -8.905 1.00 11.11 H new ATOM 0 HA ASP A 71 6.696 6.830 -9.861 1.00 32.12 H new ATOM 0 HB2 ASP A 71 7.442 9.127 -9.219 1.00 55.43 H new ATOM 0 HB3 ASP A 71 7.122 8.753 -7.537 1.00 55.43 H new ATOM 1168 N LEU A 72 5.611 6.494 -6.776 1.00 4.40 N ATOM 1169 CA LEU A 72 5.380 5.564 -5.684 1.00 73.44 C ATOM 1170 C LEU A 72 4.309 4.550 -6.083 1.00 43.34 C ATOM 1171 O LEU A 72 4.422 3.348 -5.819 1.00 54.53 O ATOM 1172 CB LEU A 72 4.876 6.327 -4.445 1.00 20.34 C ATOM 1173 CG LEU A 72 5.736 7.490 -3.931 1.00 4.14 C ATOM 1174 CD1 LEU A 72 5.044 8.177 -2.776 1.00 31.03 C ATOM 1175 CD2 LEU A 72 7.104 7.011 -3.496 1.00 1.13 C ATOM 0 H LEU A 72 5.208 7.418 -6.620 1.00 4.40 H new ATOM 0 HA LEU A 72 6.317 5.055 -5.460 1.00 73.44 H new ATOM 0 HB2 LEU A 72 3.883 6.717 -4.671 1.00 20.34 H new ATOM 0 HB3 LEU A 72 4.760 5.610 -3.632 1.00 20.34 H new ATOM 0 HG LEU A 72 5.866 8.198 -4.750 1.00 4.14 H new ATOM 0 HD11 LEU A 72 5.663 9.000 -2.419 1.00 31.03 H new ATOM 0 HD12 LEU A 72 4.080 8.564 -3.107 1.00 31.03 H new ATOM 0 HD13 LEU A 72 4.889 7.462 -1.968 1.00 31.03 H new ATOM 0 HD21 LEU A 72 7.689 7.858 -3.137 1.00 1.13 H new ATOM 0 HD22 LEU A 72 6.996 6.280 -2.695 1.00 1.13 H new ATOM 0 HD23 LEU A 72 7.614 6.550 -4.342 1.00 1.13 H new ATOM 1187 N LEU A 73 3.316 5.056 -6.784 1.00 2.31 N ATOM 1188 CA LEU A 73 2.092 4.305 -7.112 1.00 33.21 C ATOM 1189 C LEU A 73 2.372 3.141 -8.051 1.00 71.50 C ATOM 1190 O LEU A 73 1.861 2.029 -7.853 1.00 35.42 O ATOM 1191 CB LEU A 73 1.037 5.231 -7.741 1.00 1.30 C ATOM 1192 CG LEU A 73 0.555 6.423 -6.900 1.00 52.14 C ATOM 1193 CD1 LEU A 73 -0.440 7.264 -7.677 1.00 11.21 C ATOM 1194 CD2 LEU A 73 -0.080 5.954 -5.613 1.00 74.11 C ATOM 0 H LEU A 73 3.322 6.007 -7.152 1.00 2.31 H new ATOM 0 HA LEU A 73 1.708 3.901 -6.175 1.00 33.21 H new ATOM 0 HB2 LEU A 73 1.443 5.619 -8.675 1.00 1.30 H new ATOM 0 HB3 LEU A 73 0.168 4.626 -7.998 1.00 1.30 H new ATOM 0 HG LEU A 73 1.428 7.032 -6.663 1.00 52.14 H new ATOM 0 HD11 LEU A 73 -0.767 8.102 -7.061 1.00 11.21 H new ATOM 0 HD12 LEU A 73 0.033 7.642 -8.583 1.00 11.21 H new ATOM 0 HD13 LEU A 73 -1.302 6.653 -7.945 1.00 11.21 H new ATOM 0 HD21 LEU A 73 -0.413 6.817 -5.036 1.00 74.11 H new ATOM 0 HD22 LEU A 73 -0.935 5.318 -5.840 1.00 74.11 H new ATOM 0 HD23 LEU A 73 0.649 5.389 -5.033 1.00 74.11 H new ATOM 1206 N SER A 74 3.188 3.400 -9.052 1.00 62.02 N ATOM 1207 CA SER A 74 3.538 2.416 -10.053 1.00 41.31 C ATOM 1208 C SER A 74 4.175 1.177 -9.408 1.00 14.25 C ATOM 1209 O SER A 74 3.715 0.038 -9.630 1.00 70.24 O ATOM 1210 CB SER A 74 4.499 3.040 -11.062 1.00 45.43 C ATOM 1211 OG SER A 74 4.726 2.189 -12.172 1.00 61.11 O ATOM 0 H SER A 74 3.630 4.308 -9.194 1.00 62.02 H new ATOM 0 HA SER A 74 2.630 2.097 -10.564 1.00 41.31 H new ATOM 0 HB2 SER A 74 4.093 3.990 -11.410 1.00 45.43 H new ATOM 0 HB3 SER A 74 5.448 3.259 -10.572 1.00 45.43 H new ATOM 0 HG SER A 74 5.344 2.623 -12.796 1.00 61.11 H new ATOM 1217 N GLU A 75 5.172 1.406 -8.557 1.00 34.41 N ATOM 1218 CA GLU A 75 5.910 0.321 -7.931 1.00 64.42 C ATOM 1219 C GLU A 75 5.022 -0.421 -6.951 1.00 53.05 C ATOM 1220 O GLU A 75 5.106 -1.645 -6.832 1.00 1.53 O ATOM 1221 CB GLU A 75 7.139 0.847 -7.212 1.00 62.22 C ATOM 1222 CG GLU A 75 8.033 1.727 -8.063 1.00 12.11 C ATOM 1223 CD GLU A 75 8.501 1.083 -9.339 1.00 52.21 C ATOM 1224 OE1 GLU A 75 9.325 0.151 -9.291 1.00 30.14 O ATOM 1225 OE2 GLU A 75 8.103 1.547 -10.419 1.00 11.23 O ATOM 0 H GLU A 75 5.486 2.338 -8.287 1.00 34.41 H new ATOM 0 HA GLU A 75 6.232 -0.365 -8.714 1.00 64.42 H new ATOM 0 HB2 GLU A 75 6.819 1.413 -6.337 1.00 62.22 H new ATOM 0 HB3 GLU A 75 7.722 0.001 -6.848 1.00 62.22 H new ATOM 0 HG2 GLU A 75 7.495 2.643 -8.308 1.00 12.11 H new ATOM 0 HG3 GLU A 75 8.904 2.017 -7.475 1.00 12.11 H new ATOM 1232 N PHE A 76 4.150 0.329 -6.278 1.00 15.11 N ATOM 1233 CA PHE A 76 3.195 -0.226 -5.331 1.00 0.14 C ATOM 1234 C PHE A 76 2.359 -1.306 -6.009 1.00 34.41 C ATOM 1235 O PHE A 76 2.241 -2.418 -5.502 1.00 43.41 O ATOM 1236 CB PHE A 76 2.289 0.891 -4.771 1.00 12.42 C ATOM 1237 CG PHE A 76 1.221 0.422 -3.813 1.00 40.31 C ATOM 1238 CD1 PHE A 76 1.521 0.180 -2.483 1.00 41.13 C ATOM 1239 CD2 PHE A 76 -0.085 0.232 -4.246 1.00 13.14 C ATOM 1240 CE1 PHE A 76 0.542 -0.243 -1.605 1.00 41.22 C ATOM 1241 CE2 PHE A 76 -1.067 -0.193 -3.373 1.00 63.32 C ATOM 1242 CZ PHE A 76 -0.753 -0.430 -2.050 1.00 24.22 C ATOM 0 H PHE A 76 4.089 1.342 -6.378 1.00 15.11 H new ATOM 0 HA PHE A 76 3.738 -0.676 -4.500 1.00 0.14 H new ATOM 0 HB2 PHE A 76 2.914 1.626 -4.264 1.00 12.42 H new ATOM 0 HB3 PHE A 76 1.809 1.402 -5.606 1.00 12.42 H new ATOM 0 HD1 PHE A 76 2.531 0.323 -2.128 1.00 41.13 H new ATOM 0 HD2 PHE A 76 -0.336 0.419 -5.280 1.00 13.14 H new ATOM 0 HE1 PHE A 76 0.789 -0.428 -0.570 1.00 41.22 H new ATOM 0 HE2 PHE A 76 -2.078 -0.339 -3.724 1.00 63.32 H new ATOM 0 HZ PHE A 76 -1.518 -0.761 -1.364 1.00 24.22 H new