USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 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 14 ASN : amide:sc= 0.074 X(o=0.14,f=-0.27) USER MOD Set 1.2: A 75 LYS NZ :NH3+ -160:sc= 0.0655 (180deg=-0.226) USER MOD Single : A 8 SER OG : rot -9:sc= 0.555 USER MOD Single : A 11 TYR OH : rot -127:sc= 0.322 USER MOD Single : A 17 SER OG : rot -71:sc= 0.36 USER MOD Single : A 18 HIS : no HE2:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc=4.19e-06 USER MOD Single : A 26 ASN :FLIP amide:sc= 0.0433 F(o=-0.92,f=0.043) USER MOD Single : A 30 LYS NZ :NH3+ -126:sc= 0.152 (180deg=0) USER MOD Single : A 31 TYR OH : rot -129:sc= 0.352 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 138:sc= 0.327 (180deg=-0.382) USER MOD Single : A 37 CYS SG : rot 33:sc= -0.233 USER MOD Single : A 40 LYS NZ :NH3+ -107:sc= 1.06 (180deg=-0.0261) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 44 SER OG : rot -40:sc= 0.19 USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= -0.218 (180deg=-0.724) USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= 0.0154 (180deg=0.00574) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.204 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 157 N SER A 8 1.748 -0.954 6.524 1.00 51.55 N ATOM 158 CA SER A 8 0.922 -1.958 5.878 1.00 43.42 C ATOM 159 C SER A 8 1.600 -3.337 5.986 1.00 3.41 C ATOM 160 O SER A 8 2.751 -3.493 5.573 1.00 12.01 O ATOM 161 CB SER A 8 0.643 -1.517 4.423 1.00 60.32 C ATOM 162 OG SER A 8 1.727 -0.766 3.884 1.00 3.51 O ATOM 0 HA SER A 8 -0.044 -2.053 6.375 1.00 43.42 H new ATOM 0 HB2 SER A 8 0.466 -2.396 3.804 1.00 60.32 H new ATOM 0 HB3 SER A 8 -0.266 -0.917 4.392 1.00 60.32 H new ATOM 0 HG SER A 8 2.365 -0.555 4.597 1.00 3.51 H new ATOM 168 N ARG A 9 0.891 -4.338 6.555 1.00 43.30 N ATOM 169 CA ARG A 9 1.546 -5.629 6.875 1.00 62.42 C ATOM 170 C ARG A 9 0.802 -6.827 6.226 1.00 4.53 C ATOM 171 O ARG A 9 -0.392 -6.749 6.051 1.00 34.44 O ATOM 172 CB ARG A 9 1.695 -5.842 8.408 1.00 51.04 C ATOM 173 CG ARG A 9 0.375 -5.855 9.183 1.00 1.15 C ATOM 174 CD ARG A 9 0.385 -4.921 10.376 1.00 51.14 C ATOM 175 NE ARG A 9 -0.724 -5.229 11.276 1.00 31.33 N ATOM 176 CZ ARG A 9 -1.171 -4.427 12.239 1.00 45.14 C ATOM 177 NH1 ARG A 9 -0.603 -3.243 12.449 1.00 2.44 N ATOM 178 NH2 ARG A 9 -2.176 -4.832 13.013 1.00 63.43 N ATOM 0 H ARG A 9 -0.099 -4.284 6.795 1.00 43.30 H new ATOM 0 HA ARG A 9 2.548 -5.583 6.448 1.00 62.42 H new ATOM 0 HB2 ARG A 9 2.212 -6.786 8.581 1.00 51.04 H new ATOM 0 HB3 ARG A 9 2.329 -5.053 8.811 1.00 51.04 H new ATOM 0 HG2 ARG A 9 -0.437 -5.573 8.513 1.00 1.15 H new ATOM 0 HG3 ARG A 9 0.169 -6.870 9.524 1.00 1.15 H new ATOM 0 HD2 ARG A 9 1.331 -5.013 10.910 1.00 51.14 H new ATOM 0 HD3 ARG A 9 0.310 -3.888 10.037 1.00 51.14 H new ATOM 0 HE ARG A 9 -1.191 -6.128 11.157 1.00 31.33 H new ATOM 0 HH11 ARG A 9 0.181 -2.944 11.870 1.00 2.44 H new ATOM 0 HH12 ARG A 9 -0.952 -2.634 13.189 1.00 2.44 H new ATOM 0 HH21 ARG A 9 -2.596 -5.750 12.865 1.00 63.43 H new ATOM 0 HH22 ARG A 9 -2.526 -4.225 13.754 1.00 63.43 H new ATOM 192 N ILE A 10 1.486 -7.952 5.892 1.00 33.44 N ATOM 193 CA ILE A 10 0.838 -9.073 5.186 1.00 51.44 C ATOM 194 C ILE A 10 0.869 -10.298 6.079 1.00 74.30 C ATOM 195 O ILE A 10 1.930 -10.552 6.707 1.00 13.21 O ATOM 196 CB ILE A 10 1.583 -9.444 3.838 1.00 24.14 C ATOM 197 CG1 ILE A 10 1.592 -8.272 2.820 1.00 51.43 C ATOM 198 CG2 ILE A 10 0.965 -10.711 3.196 1.00 61.55 C ATOM 199 CD1 ILE A 10 2.894 -8.090 2.021 1.00 42.24 C ATOM 0 H ILE A 10 2.474 -8.100 6.100 1.00 33.44 H new ATOM 0 HA ILE A 10 -0.180 -8.764 4.949 1.00 51.44 H new ATOM 0 HB ILE A 10 2.620 -9.650 4.102 1.00 24.14 H new ATOM 0 HG12 ILE A 10 0.773 -8.421 2.116 1.00 51.43 H new ATOM 0 HG13 ILE A 10 1.385 -7.347 3.358 1.00 51.43 H new ATOM 0 HG21 ILE A 10 1.493 -10.945 2.272 1.00 61.55 H new ATOM 0 HG22 ILE A 10 1.053 -11.549 3.887 1.00 61.55 H new ATOM 0 HG23 ILE A 10 -0.087 -10.531 2.976 1.00 61.55 H new ATOM 0 HD11 ILE A 10 2.789 -7.244 1.341 1.00 42.24 H new ATOM 0 HD12 ILE A 10 3.719 -7.903 2.708 1.00 42.24 H new ATOM 0 HD13 ILE A 10 3.098 -8.994 1.447 1.00 42.24 H new ATOM 211 N TYR A 11 -0.286 -11.037 6.119 1.00 34.01 N ATOM 212 CA TYR A 11 -0.364 -12.296 6.881 1.00 33.53 C ATOM 213 C TYR A 11 -0.361 -13.529 5.903 1.00 70.43 C ATOM 214 O TYR A 11 -1.321 -13.687 5.128 1.00 64.35 O ATOM 215 CB TYR A 11 -1.649 -12.284 7.756 1.00 34.40 C ATOM 216 CG TYR A 11 -1.603 -13.210 8.953 1.00 61.33 C ATOM 217 CD1 TYR A 11 -1.009 -12.795 10.141 1.00 51.15 C ATOM 218 CD2 TYR A 11 -2.172 -14.475 8.913 1.00 31.14 C ATOM 219 CE1 TYR A 11 -0.978 -13.617 11.250 1.00 71.02 C ATOM 220 CE2 TYR A 11 -2.152 -15.301 10.020 1.00 32.31 C ATOM 221 CZ TYR A 11 -1.555 -14.866 11.186 1.00 73.32 C ATOM 222 OH TYR A 11 -1.540 -15.681 12.293 1.00 2.21 O ATOM 0 H TYR A 11 -1.148 -10.777 5.640 1.00 34.01 H new ATOM 0 HA TYR A 11 0.507 -12.385 7.531 1.00 33.53 H new ATOM 0 HB2 TYR A 11 -1.825 -11.267 8.106 1.00 34.40 H new ATOM 0 HB3 TYR A 11 -2.500 -12.559 7.133 1.00 34.40 H new ATOM 0 HD1 TYR A 11 -0.564 -11.812 10.197 1.00 51.15 H new ATOM 0 HD2 TYR A 11 -2.638 -14.819 8.002 1.00 31.14 H new ATOM 0 HE1 TYR A 11 -0.505 -13.283 12.161 1.00 71.02 H new ATOM 0 HE2 TYR A 11 -2.601 -16.282 9.973 1.00 32.31 H new ATOM 0 HH TYR A 11 -1.162 -16.552 12.053 1.00 2.21 H new ATOM 232 N VAL A 12 0.699 -14.404 5.897 1.00 61.11 N ATOM 233 CA VAL A 12 0.677 -15.592 5.014 1.00 13.32 C ATOM 234 C VAL A 12 0.928 -16.869 5.876 1.00 14.13 C ATOM 235 O VAL A 12 2.054 -17.136 6.295 1.00 53.33 O ATOM 236 CB VAL A 12 1.707 -15.429 3.764 1.00 4.55 C ATOM 237 CG1 VAL A 12 3.009 -14.779 4.191 1.00 1.21 C ATOM 238 CG2 VAL A 12 2.061 -16.744 3.023 1.00 4.05 C ATOM 0 H VAL A 12 1.537 -14.306 6.470 1.00 61.11 H new ATOM 0 HA VAL A 12 -0.305 -15.695 4.552 1.00 13.32 H new ATOM 0 HB VAL A 12 1.155 -14.797 3.069 1.00 4.55 H new ATOM 0 HG11 VAL A 12 3.670 -14.688 3.329 1.00 1.21 H new ATOM 0 HG12 VAL A 12 2.805 -13.789 4.598 1.00 1.21 H new ATOM 0 HG13 VAL A 12 3.489 -15.393 4.953 1.00 1.21 H new ATOM 0 HG21 VAL A 12 2.752 -16.528 2.208 1.00 4.05 H new ATOM 0 HG22 VAL A 12 2.528 -17.440 3.720 1.00 4.05 H new ATOM 0 HG23 VAL A 12 1.152 -17.190 2.619 1.00 4.05 H new ATOM 248 N GLY A 13 -0.138 -17.652 6.159 1.00 75.43 N ATOM 249 CA GLY A 13 0.026 -18.888 6.933 1.00 72.45 C ATOM 250 C GLY A 13 -0.374 -20.146 6.159 1.00 44.23 C ATOM 251 O GLY A 13 -0.869 -20.040 5.030 1.00 62.40 O ATOM 0 H GLY A 13 -1.095 -17.451 5.868 1.00 75.43 H new ATOM 0 HA2 GLY A 13 1.067 -18.978 7.245 1.00 72.45 H new ATOM 0 HA3 GLY A 13 -0.574 -18.822 7.840 1.00 72.45 H new ATOM 255 N ASN A 14 -0.150 -21.344 6.776 1.00 45.21 N ATOM 256 CA ASN A 14 -0.508 -22.665 6.170 1.00 13.30 C ATOM 257 C ASN A 14 0.008 -22.905 4.726 1.00 31.04 C ATOM 258 O ASN A 14 -0.611 -23.654 3.992 1.00 43.41 O ATOM 259 CB ASN A 14 -2.036 -22.848 6.197 1.00 70.30 C ATOM 260 CG ASN A 14 -2.557 -23.245 7.565 1.00 53.53 C ATOM 261 OD1 ASN A 14 -2.606 -24.429 7.901 1.00 40.12 O ATOM 262 ND2 ASN A 14 -2.965 -22.262 8.357 1.00 65.53 N ATOM 0 H ASN A 14 0.279 -21.422 7.698 1.00 45.21 H new ATOM 0 HA ASN A 14 0.003 -23.404 6.787 1.00 13.30 H new ATOM 0 HB2 ASN A 14 -2.514 -21.919 5.887 1.00 70.30 H new ATOM 0 HB3 ASN A 14 -2.319 -23.610 5.471 1.00 70.30 H new ATOM 0 HD21 ASN A 14 -3.336 -22.474 9.283 1.00 65.53 H new ATOM 0 HD22 ASN A 14 -2.907 -21.294 8.040 1.00 65.53 H new ATOM 269 N LEU A 15 1.132 -22.311 4.329 1.00 55.23 N ATOM 270 CA LEU A 15 1.666 -22.502 2.981 1.00 12.20 C ATOM 271 C LEU A 15 2.580 -23.759 2.933 1.00 24.15 C ATOM 272 O LEU A 15 3.184 -24.124 3.953 1.00 31.14 O ATOM 273 CB LEU A 15 2.370 -21.180 2.463 1.00 23.31 C ATOM 274 CG LEU A 15 3.795 -20.767 2.965 1.00 40.43 C ATOM 275 CD1 LEU A 15 4.004 -20.974 4.461 1.00 34.42 C ATOM 276 CD2 LEU A 15 4.886 -21.445 2.147 1.00 54.43 C ATOM 0 H LEU A 15 1.690 -21.695 4.920 1.00 55.23 H new ATOM 0 HA LEU A 15 0.847 -22.694 2.288 1.00 12.20 H new ATOM 0 HB2 LEU A 15 2.425 -21.254 1.377 1.00 23.31 H new ATOM 0 HB3 LEU A 15 1.700 -20.352 2.693 1.00 23.31 H new ATOM 0 HG LEU A 15 3.867 -19.691 2.808 1.00 40.43 H new ATOM 0 HD11 LEU A 15 5.013 -20.666 4.733 1.00 34.42 H new ATOM 0 HD12 LEU A 15 3.280 -20.377 5.016 1.00 34.42 H new ATOM 0 HD13 LEU A 15 3.868 -22.028 4.705 1.00 34.42 H new ATOM 0 HD21 LEU A 15 5.864 -21.139 2.519 1.00 54.43 H new ATOM 0 HD22 LEU A 15 4.787 -22.527 2.235 1.00 54.43 H new ATOM 0 HD23 LEU A 15 4.789 -21.155 1.101 1.00 54.43 H new ATOM 288 N PRO A 16 2.692 -24.455 1.776 1.00 23.12 N ATOM 289 CA PRO A 16 3.590 -25.606 1.678 1.00 31.32 C ATOM 290 C PRO A 16 5.072 -25.187 1.389 1.00 0.53 C ATOM 291 O PRO A 16 5.287 -24.415 0.450 1.00 4.24 O ATOM 292 CB PRO A 16 2.996 -26.400 0.509 1.00 43.24 C ATOM 293 CG PRO A 16 2.220 -25.424 -0.321 1.00 32.55 C ATOM 294 CD PRO A 16 1.971 -24.194 0.510 1.00 10.50 C ATOM 0 HA PRO A 16 3.649 -26.172 2.608 1.00 31.32 H new ATOM 0 HB2 PRO A 16 3.784 -26.870 -0.080 1.00 43.24 H new ATOM 0 HB3 PRO A 16 2.350 -27.199 0.872 1.00 43.24 H new ATOM 0 HG2 PRO A 16 2.775 -25.167 -1.224 1.00 32.55 H new ATOM 0 HG3 PRO A 16 1.276 -25.864 -0.641 1.00 32.55 H new ATOM 0 HD2 PRO A 16 2.346 -23.298 0.016 1.00 10.50 H new ATOM 0 HD3 PRO A 16 0.906 -24.040 0.683 1.00 10.50 H new ATOM 302 N SER A 17 6.046 -25.714 2.223 1.00 23.52 N ATOM 303 CA SER A 17 7.541 -25.493 2.189 1.00 62.41 C ATOM 304 C SER A 17 8.013 -24.733 3.432 1.00 40.31 C ATOM 305 O SER A 17 9.142 -24.955 3.886 1.00 10.04 O ATOM 306 CB SER A 17 8.126 -24.781 0.936 1.00 33.01 C ATOM 307 OG SER A 17 7.888 -23.379 0.955 1.00 54.42 O ATOM 0 H SER A 17 5.787 -26.343 2.983 1.00 23.52 H new ATOM 0 HA SER A 17 7.925 -26.512 2.153 1.00 62.41 H new ATOM 0 HB2 SER A 17 9.199 -24.965 0.883 1.00 33.01 H new ATOM 0 HB3 SER A 17 7.685 -25.211 0.037 1.00 33.01 H new ATOM 0 HG SER A 17 6.937 -23.206 0.793 1.00 54.42 H new ATOM 313 N HIS A 18 7.114 -23.884 3.993 1.00 32.12 N ATOM 314 CA HIS A 18 7.437 -22.866 5.014 1.00 21.21 C ATOM 315 C HIS A 18 8.310 -21.754 4.402 1.00 54.35 C ATOM 316 O HIS A 18 9.507 -21.929 4.155 1.00 64.10 O ATOM 317 CB HIS A 18 8.043 -23.481 6.303 1.00 5.02 C ATOM 318 CG HIS A 18 8.587 -22.487 7.310 1.00 33.50 C ATOM 319 ND1 HIS A 18 9.891 -22.507 7.746 1.00 60.25 N ATOM 320 CD2 HIS A 18 7.996 -21.445 7.944 1.00 54.13 C ATOM 321 CE1 HIS A 18 10.086 -21.516 8.595 1.00 23.31 C ATOM 322 NE2 HIS A 18 8.950 -20.862 8.739 1.00 72.23 N ATOM 0 H HIS A 18 6.126 -23.892 3.740 1.00 32.12 H new ATOM 0 HA HIS A 18 6.504 -22.407 5.339 1.00 21.21 H new ATOM 0 HB2 HIS A 18 7.277 -24.083 6.791 1.00 5.02 H new ATOM 0 HB3 HIS A 18 8.847 -24.159 6.017 1.00 5.02 H new ATOM 0 HD1 HIS A 18 10.598 -23.183 7.458 1.00 60.25 H new ATOM 0 HD2 HIS A 18 6.967 -21.132 7.842 1.00 54.13 H new ATOM 0 HE1 HIS A 18 11.018 -21.281 9.088 1.00 23.31 H new ATOM 331 N VAL A 19 7.676 -20.608 4.172 1.00 23.41 N ATOM 332 CA VAL A 19 8.355 -19.446 3.608 1.00 22.54 C ATOM 333 C VAL A 19 9.213 -18.772 4.721 1.00 62.54 C ATOM 334 O VAL A 19 8.682 -18.374 5.767 1.00 44.24 O ATOM 335 CB VAL A 19 7.287 -18.490 2.911 1.00 5.01 C ATOM 336 CG1 VAL A 19 6.149 -18.027 3.825 1.00 25.21 C ATOM 337 CG2 VAL A 19 7.859 -17.273 2.232 1.00 12.02 C ATOM 0 H VAL A 19 6.686 -20.459 4.369 1.00 23.41 H new ATOM 0 HA VAL A 19 9.052 -19.727 2.818 1.00 22.54 H new ATOM 0 HB VAL A 19 6.886 -19.157 2.148 1.00 5.01 H new ATOM 0 HG11 VAL A 19 5.472 -17.382 3.265 1.00 25.21 H new ATOM 0 HG12 VAL A 19 5.602 -18.895 4.193 1.00 25.21 H new ATOM 0 HG13 VAL A 19 6.562 -17.474 4.669 1.00 25.21 H new ATOM 0 HG21 VAL A 19 7.051 -16.690 1.790 1.00 12.02 H new ATOM 0 HG22 VAL A 19 8.388 -16.663 2.964 1.00 12.02 H new ATOM 0 HG23 VAL A 19 8.552 -17.584 1.450 1.00 12.02 H new ATOM 347 N SER A 20 10.550 -18.718 4.526 1.00 12.32 N ATOM 348 CA SER A 20 11.445 -18.077 5.487 1.00 33.45 C ATOM 349 C SER A 20 11.436 -16.541 5.221 1.00 55.25 C ATOM 350 O SER A 20 11.006 -16.149 4.133 1.00 43.11 O ATOM 351 CB SER A 20 12.852 -18.700 5.322 1.00 34.13 C ATOM 352 OG SER A 20 12.759 -20.113 5.273 1.00 5.14 O ATOM 0 H SER A 20 11.021 -19.112 3.712 1.00 12.32 H new ATOM 0 HA SER A 20 11.125 -18.236 6.517 1.00 33.45 H new ATOM 0 HB2 SER A 20 13.318 -18.327 4.410 1.00 34.13 H new ATOM 0 HB3 SER A 20 13.491 -18.399 6.152 1.00 34.13 H new ATOM 0 HG SER A 20 13.655 -20.496 5.167 1.00 5.14 H new ATOM 358 N SER A 21 11.846 -15.663 6.201 1.00 73.53 N ATOM 359 CA SER A 21 11.842 -14.197 6.015 1.00 31.41 C ATOM 360 C SER A 21 12.534 -13.693 4.730 1.00 54.44 C ATOM 361 O SER A 21 12.029 -12.762 4.121 1.00 4.45 O ATOM 362 CB SER A 21 12.453 -13.506 7.249 1.00 11.21 C ATOM 363 OG SER A 21 13.626 -14.169 7.695 1.00 1.04 O ATOM 0 H SER A 21 12.179 -15.962 7.118 1.00 73.53 H new ATOM 0 HA SER A 21 10.792 -13.928 5.898 1.00 31.41 H new ATOM 0 HB2 SER A 21 12.691 -12.470 7.006 1.00 11.21 H new ATOM 0 HB3 SER A 21 11.719 -13.484 8.054 1.00 11.21 H new ATOM 0 HG SER A 21 13.988 -13.703 8.478 1.00 1.04 H new ATOM 369 N ARG A 22 13.676 -14.284 4.326 1.00 0.25 N ATOM 370 CA ARG A 22 14.349 -13.868 3.064 1.00 34.12 C ATOM 371 C ARG A 22 13.504 -14.063 1.748 1.00 51.24 C ATOM 372 O ARG A 22 13.645 -13.254 0.830 1.00 10.54 O ATOM 373 CB ARG A 22 15.814 -14.441 2.962 1.00 11.43 C ATOM 374 CG ARG A 22 16.377 -14.710 1.551 1.00 31.23 C ATOM 375 CD ARG A 22 16.192 -16.165 1.116 1.00 64.10 C ATOM 376 NE ARG A 22 17.474 -16.831 0.859 1.00 61.45 N ATOM 377 CZ ARG A 22 17.932 -17.902 1.527 1.00 24.32 C ATOM 378 NH1 ARG A 22 17.226 -18.448 2.520 1.00 61.14 N ATOM 379 NH2 ARG A 22 19.105 -18.425 1.196 1.00 71.34 N ATOM 0 H ARG A 22 14.147 -15.032 4.835 1.00 0.25 H new ATOM 0 HA ARG A 22 14.432 -12.784 3.138 1.00 34.12 H new ATOM 0 HB2 ARG A 22 16.484 -13.743 3.464 1.00 11.43 H new ATOM 0 HB3 ARG A 22 15.849 -15.375 3.522 1.00 11.43 H new ATOM 0 HG2 ARG A 22 15.883 -14.054 0.835 1.00 31.23 H new ATOM 0 HG3 ARG A 22 17.438 -14.460 1.533 1.00 31.23 H new ATOM 0 HD2 ARG A 22 15.650 -16.708 1.890 1.00 64.10 H new ATOM 0 HD3 ARG A 22 15.579 -16.199 0.215 1.00 64.10 H new ATOM 0 HE ARG A 22 18.062 -16.452 0.117 1.00 61.45 H new ATOM 0 HH11 ARG A 22 16.323 -18.052 2.782 1.00 61.14 H new ATOM 0 HH12 ARG A 22 17.589 -19.261 3.017 1.00 61.14 H new ATOM 0 HH21 ARG A 22 19.652 -18.014 0.439 1.00 71.34 H new ATOM 0 HH22 ARG A 22 19.461 -19.239 1.698 1.00 71.34 H new ATOM 393 N ASP A 23 12.638 -15.102 1.653 1.00 65.01 N ATOM 394 CA ASP A 23 11.776 -15.327 0.452 1.00 34.24 C ATOM 395 C ASP A 23 10.696 -14.226 0.321 1.00 30.25 C ATOM 396 O ASP A 23 10.608 -13.525 -0.750 1.00 75.41 O ATOM 397 CB ASP A 23 11.086 -16.717 0.535 1.00 25.01 C ATOM 398 CG ASP A 23 12.079 -17.833 0.810 1.00 72.30 C ATOM 399 OD1 ASP A 23 12.882 -18.154 -0.090 1.00 32.13 O ATOM 400 OD2 ASP A 23 12.074 -18.371 1.941 1.00 13.34 O ATOM 0 H ASP A 23 12.514 -15.799 2.388 1.00 65.01 H new ATOM 0 HA ASP A 23 12.420 -15.290 -0.427 1.00 34.24 H new ATOM 0 HB2 ASP A 23 10.333 -16.701 1.323 1.00 25.01 H new ATOM 0 HB3 ASP A 23 10.565 -16.919 -0.401 1.00 25.01 H new ATOM 405 N VAL A 24 9.916 -14.049 1.431 1.00 35.11 N ATOM 406 CA VAL A 24 8.882 -13.003 1.528 1.00 22.24 C ATOM 407 C VAL A 24 9.485 -11.588 1.308 1.00 40.14 C ATOM 408 O VAL A 24 9.030 -10.848 0.417 1.00 3.22 O ATOM 409 CB VAL A 24 8.046 -13.098 2.858 1.00 41.25 C ATOM 410 CG1 VAL A 24 6.843 -14.009 2.685 1.00 43.31 C ATOM 411 CG2 VAL A 24 8.859 -13.609 4.028 1.00 35.22 C ATOM 0 H VAL A 24 9.995 -14.627 2.268 1.00 35.11 H new ATOM 0 HA VAL A 24 8.174 -13.181 0.719 1.00 22.24 H new ATOM 0 HB VAL A 24 7.725 -12.079 3.074 1.00 41.25 H new ATOM 0 HG11 VAL A 24 6.284 -14.055 3.620 1.00 43.31 H new ATOM 0 HG12 VAL A 24 6.200 -13.617 1.897 1.00 43.31 H new ATOM 0 HG13 VAL A 24 7.180 -15.009 2.414 1.00 43.31 H new ATOM 0 HG21 VAL A 24 8.230 -13.653 4.917 1.00 35.22 H new ATOM 0 HG22 VAL A 24 9.236 -14.606 3.801 1.00 35.22 H new ATOM 0 HG23 VAL A 24 9.697 -12.936 4.210 1.00 35.22 H new ATOM 421 N GLU A 25 10.529 -11.241 2.088 1.00 61.53 N ATOM 422 CA GLU A 25 11.342 -10.035 1.872 1.00 74.31 C ATOM 423 C GLU A 25 11.849 -9.838 0.404 1.00 23.42 C ATOM 424 O GLU A 25 11.705 -8.747 -0.080 1.00 42.40 O ATOM 425 CB GLU A 25 12.483 -9.953 2.954 1.00 10.35 C ATOM 426 CG GLU A 25 13.961 -10.127 2.496 1.00 12.52 C ATOM 427 CD GLU A 25 14.657 -8.802 2.200 1.00 34.15 C ATOM 428 OE1 GLU A 25 15.193 -8.188 3.142 1.00 11.11 O ATOM 429 OE2 GLU A 25 14.668 -8.375 1.026 1.00 55.24 O ATOM 0 H GLU A 25 10.830 -11.796 2.889 1.00 61.53 H new ATOM 0 HA GLU A 25 10.682 -9.179 2.010 1.00 74.31 H new ATOM 0 HB2 GLU A 25 12.402 -8.985 3.448 1.00 10.35 H new ATOM 0 HB3 GLU A 25 12.279 -10.713 3.708 1.00 10.35 H new ATOM 0 HG2 GLU A 25 14.515 -10.656 3.271 1.00 12.52 H new ATOM 0 HG3 GLU A 25 13.987 -10.751 1.603 1.00 12.52 H new ATOM 436 N ASN A 26 12.415 -10.841 -0.313 1.00 22.32 N ATOM 437 CA ASN A 26 12.924 -10.579 -1.690 1.00 25.42 C ATOM 438 C ASN A 26 11.764 -10.355 -2.733 1.00 43.25 C ATOM 439 O ASN A 26 11.712 -9.236 -3.383 1.00 55.43 O ATOM 440 CB ASN A 26 13.914 -11.689 -2.210 1.00 65.03 C ATOM 441 CG ASN A 26 14.584 -11.320 -3.528 1.00 41.51 C ATOM 442 OD1 ASN A 26 15.801 -10.796 -3.443 1.00 70.42 O flip ATOM 443 ND2 ASN A 26 14.042 -11.539 -4.606 1.00 11.41 N flip ATOM 0 H ASN A 26 12.530 -11.799 0.017 1.00 22.32 H new ATOM 0 HA ASN A 26 13.489 -9.651 -1.604 1.00 25.42 H new ATOM 0 HB2 ASN A 26 14.681 -11.866 -1.456 1.00 65.03 H new ATOM 0 HB3 ASN A 26 13.369 -12.624 -2.335 1.00 65.03 H new ATOM 0 HD21 ASN A 26 13.106 -11.943 -4.633 1.00 11.41 H new ATOM 0 HD22 ASN A 26 14.528 -11.318 -5.475 1.00 11.41 H new ATOM 450 N GLU A 27 10.795 -11.352 -2.856 1.00 3.44 N ATOM 451 CA GLU A 27 9.668 -11.200 -3.817 1.00 42.44 C ATOM 452 C GLU A 27 8.850 -9.922 -3.534 1.00 21.33 C ATOM 453 O GLU A 27 8.459 -9.240 -4.485 1.00 10.31 O ATOM 454 CB GLU A 27 8.707 -12.431 -3.826 1.00 21.41 C ATOM 455 CG GLU A 27 7.948 -12.748 -5.138 1.00 25.24 C ATOM 456 CD GLU A 27 8.821 -13.434 -6.165 1.00 23.32 C ATOM 457 OE1 GLU A 27 9.519 -12.739 -6.933 1.00 31.01 O ATOM 458 OE2 GLU A 27 8.802 -14.690 -6.191 1.00 20.15 O ATOM 0 H GLU A 27 10.788 -12.220 -2.320 1.00 3.44 H new ATOM 0 HA GLU A 27 10.132 -11.125 -4.800 1.00 42.44 H new ATOM 0 HB2 GLU A 27 9.289 -13.312 -3.555 1.00 21.41 H new ATOM 0 HB3 GLU A 27 7.967 -12.284 -3.039 1.00 21.41 H new ATOM 0 HG2 GLU A 27 7.091 -13.383 -4.913 1.00 25.24 H new ATOM 0 HG3 GLU A 27 7.557 -11.822 -5.560 1.00 25.24 H new ATOM 465 N PHE A 28 8.609 -9.547 -2.250 1.00 53.12 N ATOM 466 CA PHE A 28 7.808 -8.350 -2.011 1.00 31.34 C ATOM 467 C PHE A 28 8.626 -7.047 -2.078 1.00 73.45 C ATOM 468 O PHE A 28 8.082 -6.051 -2.546 1.00 73.43 O ATOM 469 CB PHE A 28 6.954 -8.423 -0.728 1.00 71.44 C ATOM 470 CG PHE A 28 5.857 -9.460 -0.764 1.00 32.34 C ATOM 471 CD1 PHE A 28 4.597 -9.162 -1.279 1.00 14.05 C ATOM 472 CD2 PHE A 28 6.078 -10.735 -0.282 1.00 41.43 C ATOM 473 CE1 PHE A 28 3.601 -10.116 -1.299 1.00 33.11 C ATOM 474 CE2 PHE A 28 5.082 -11.693 -0.298 1.00 4.43 C ATOM 475 CZ PHE A 28 3.844 -11.382 -0.808 1.00 32.41 C ATOM 0 H PHE A 28 8.942 -10.033 -1.418 1.00 53.12 H new ATOM 0 HA PHE A 28 7.106 -8.322 -2.844 1.00 31.34 H new ATOM 0 HB2 PHE A 28 7.609 -8.634 0.117 1.00 71.44 H new ATOM 0 HB3 PHE A 28 6.507 -7.445 -0.548 1.00 71.44 H new ATOM 0 HD1 PHE A 28 4.398 -8.174 -1.667 1.00 14.05 H new ATOM 0 HD2 PHE A 28 7.049 -10.989 0.116 1.00 41.43 H new ATOM 0 HE1 PHE A 28 2.629 -9.871 -1.700 1.00 33.11 H new ATOM 0 HE2 PHE A 28 5.276 -12.683 0.089 1.00 4.43 H new ATOM 0 HZ PHE A 28 3.063 -12.128 -0.824 1.00 32.41 H new ATOM 485 N ARG A 29 9.912 -7.050 -1.616 1.00 4.10 N ATOM 486 CA ARG A 29 10.846 -5.885 -1.821 1.00 64.40 C ATOM 487 C ARG A 29 10.923 -5.463 -3.281 1.00 71.22 C ATOM 488 O ARG A 29 11.045 -4.252 -3.531 1.00 60.53 O ATOM 489 CB ARG A 29 12.348 -6.062 -1.326 1.00 50.24 C ATOM 490 CG ARG A 29 13.339 -6.578 -2.389 1.00 53.41 C ATOM 491 CD ARG A 29 14.725 -6.907 -1.873 1.00 11.13 C ATOM 492 NE ARG A 29 15.479 -7.629 -2.907 1.00 33.41 N ATOM 493 CZ ARG A 29 16.143 -7.052 -3.931 1.00 3.31 C ATOM 494 NH1 ARG A 29 16.183 -5.731 -4.074 1.00 2.43 N ATOM 495 NH2 ARG A 29 16.752 -7.811 -4.831 1.00 54.22 N ATOM 0 H ARG A 29 10.326 -7.830 -1.106 1.00 4.10 H new ATOM 0 HA ARG A 29 10.381 -5.132 -1.185 1.00 64.40 H new ATOM 0 HB2 ARG A 29 12.706 -5.101 -0.956 1.00 50.24 H new ATOM 0 HB3 ARG A 29 12.355 -6.752 -0.482 1.00 50.24 H new ATOM 0 HG2 ARG A 29 12.919 -7.472 -2.851 1.00 53.41 H new ATOM 0 HG3 ARG A 29 13.430 -5.827 -3.173 1.00 53.41 H new ATOM 0 HD2 ARG A 29 15.249 -5.991 -1.600 1.00 11.13 H new ATOM 0 HD3 ARG A 29 14.653 -7.514 -0.971 1.00 11.13 H new ATOM 0 HE ARG A 29 15.503 -8.647 -2.846 1.00 33.41 H new ATOM 0 HH11 ARG A 29 15.706 -5.131 -3.402 1.00 2.43 H new ATOM 0 HH12 ARG A 29 16.691 -5.318 -4.856 1.00 2.43 H new ATOM 0 HH21 ARG A 29 16.718 -8.827 -4.748 1.00 54.22 H new ATOM 0 HH22 ARG A 29 17.255 -7.379 -5.606 1.00 54.22 H new ATOM 509 N LYS A 30 10.876 -6.429 -4.257 1.00 21.40 N ATOM 510 CA LYS A 30 11.108 -5.972 -5.642 1.00 22.55 C ATOM 511 C LYS A 30 9.945 -5.170 -6.197 1.00 21.35 C ATOM 512 O LYS A 30 10.141 -4.271 -7.018 1.00 51.01 O ATOM 513 CB LYS A 30 11.605 -7.043 -6.693 1.00 14.53 C ATOM 514 CG LYS A 30 10.697 -8.276 -6.975 1.00 13.41 C ATOM 515 CD LYS A 30 10.086 -8.267 -8.379 1.00 62.44 C ATOM 516 CE LYS A 30 9.170 -7.079 -8.663 1.00 41.32 C ATOM 517 NZ LYS A 30 8.787 -7.023 -10.095 1.00 24.34 N ATOM 0 H LYS A 30 10.698 -7.424 -4.122 1.00 21.40 H new ATOM 0 HA LYS A 30 11.972 -5.321 -5.510 1.00 22.55 H new ATOM 0 HB2 LYS A 30 11.770 -6.528 -7.639 1.00 14.53 H new ATOM 0 HB3 LYS A 30 12.574 -7.413 -6.358 1.00 14.53 H new ATOM 0 HG2 LYS A 30 11.282 -9.187 -6.846 1.00 13.41 H new ATOM 0 HG3 LYS A 30 9.895 -8.305 -6.237 1.00 13.41 H new ATOM 0 HD2 LYS A 30 10.892 -8.271 -9.112 1.00 62.44 H new ATOM 0 HD3 LYS A 30 9.520 -9.188 -8.521 1.00 62.44 H new ATOM 0 HE2 LYS A 30 8.274 -7.153 -8.047 1.00 41.32 H new ATOM 0 HE3 LYS A 30 9.674 -6.154 -8.383 1.00 41.32 H new ATOM 0 HZ1 LYS A 30 9.018 -6.085 -10.480 1.00 24.34 H new ATOM 0 HZ2 LYS A 30 9.309 -7.752 -10.623 1.00 24.34 H new ATOM 0 HZ3 LYS A 30 7.765 -7.193 -10.188 1.00 24.34 H new ATOM 531 N TYR A 31 8.760 -5.484 -5.749 1.00 33.32 N ATOM 532 CA TYR A 31 7.583 -4.757 -6.172 1.00 42.33 C ATOM 533 C TYR A 31 7.379 -3.443 -5.358 1.00 43.43 C ATOM 534 O TYR A 31 7.200 -2.395 -5.954 1.00 12.52 O ATOM 535 CB TYR A 31 6.345 -5.653 -5.988 1.00 0.21 C ATOM 536 CG TYR A 31 6.102 -6.801 -6.991 1.00 71.51 C ATOM 537 CD1 TYR A 31 5.658 -6.575 -8.307 1.00 32.41 C ATOM 538 CD2 TYR A 31 6.332 -8.135 -6.607 1.00 44.23 C ATOM 539 CE1 TYR A 31 5.461 -7.632 -9.191 1.00 0.21 C ATOM 540 CE2 TYR A 31 6.147 -9.192 -7.508 1.00 45.23 C ATOM 541 CZ TYR A 31 5.715 -8.928 -8.788 1.00 72.44 C ATOM 542 OH TYR A 31 5.545 -9.955 -9.680 1.00 74.10 O ATOM 0 H TYR A 31 8.578 -6.240 -5.089 1.00 33.32 H new ATOM 0 HA TYR A 31 7.719 -4.486 -7.219 1.00 42.33 H new ATOM 0 HB2 TYR A 31 6.400 -6.091 -4.992 1.00 0.21 H new ATOM 0 HB3 TYR A 31 5.466 -5.009 -6.005 1.00 0.21 H new ATOM 0 HD1 TYR A 31 5.467 -5.564 -8.637 1.00 32.41 H new ATOM 0 HD2 TYR A 31 6.657 -8.348 -5.599 1.00 44.23 H new ATOM 0 HE1 TYR A 31 5.109 -7.438 -10.193 1.00 0.21 H new ATOM 0 HE2 TYR A 31 6.342 -10.208 -7.200 1.00 45.23 H new ATOM 0 HH TYR A 31 4.989 -10.652 -9.274 1.00 74.10 H new ATOM 552 N GLY A 32 7.499 -3.488 -4.021 1.00 12.14 N ATOM 553 CA GLY A 32 7.555 -2.269 -3.223 1.00 45.20 C ATOM 554 C GLY A 32 8.369 -2.448 -1.963 1.00 32.01 C ATOM 555 O GLY A 32 8.308 -3.510 -1.345 1.00 42.01 O ATOM 0 H GLY A 32 7.558 -4.351 -3.481 1.00 12.14 H new ATOM 0 HA2 GLY A 32 7.985 -1.465 -3.820 1.00 45.20 H new ATOM 0 HA3 GLY A 32 6.543 -1.963 -2.959 1.00 45.20 H new ATOM 559 N ASN A 33 9.105 -1.393 -1.569 1.00 70.12 N ATOM 560 CA ASN A 33 10.170 -1.500 -0.544 1.00 21.24 C ATOM 561 C ASN A 33 9.643 -1.916 0.842 1.00 51.30 C ATOM 562 O ASN A 33 8.822 -1.213 1.442 1.00 15.23 O ATOM 563 CB ASN A 33 10.995 -0.195 -0.421 1.00 53.12 C ATOM 564 CG ASN A 33 11.637 0.210 -1.741 1.00 63.44 C ATOM 565 OD1 ASN A 33 11.056 0.966 -2.516 1.00 21.23 O ATOM 566 ND2 ASN A 33 12.832 -0.301 -2.015 1.00 72.20 N ATOM 0 H ASN A 33 8.984 -0.452 -1.944 1.00 70.12 H new ATOM 0 HA ASN A 33 10.823 -2.297 -0.900 1.00 21.24 H new ATOM 0 HB2 ASN A 33 10.348 0.610 -0.072 1.00 53.12 H new ATOM 0 HB3 ASN A 33 11.772 -0.328 0.332 1.00 53.12 H new ATOM 0 HD21 ASN A 33 13.297 -0.069 -2.893 1.00 72.20 H new ATOM 0 HD22 ASN A 33 13.285 -0.926 -1.348 1.00 72.20 H new ATOM 573 N ILE A 34 10.116 -3.082 1.316 1.00 71.33 N ATOM 574 CA ILE A 34 9.808 -3.577 2.694 1.00 64.23 C ATOM 575 C ILE A 34 10.530 -2.726 3.782 1.00 64.45 C ATOM 576 O ILE A 34 11.672 -2.292 3.567 1.00 21.41 O ATOM 577 CB ILE A 34 10.088 -5.159 2.908 1.00 71.22 C ATOM 578 CG1 ILE A 34 10.760 -5.567 4.277 1.00 14.33 C ATOM 579 CG2 ILE A 34 10.877 -5.759 1.767 1.00 73.31 C ATOM 580 CD1 ILE A 34 12.295 -5.406 4.394 1.00 12.11 C ATOM 0 H ILE A 34 10.713 -3.708 0.775 1.00 71.33 H new ATOM 0 HA ILE A 34 8.732 -3.450 2.810 1.00 64.23 H new ATOM 0 HB ILE A 34 9.081 -5.576 2.934 1.00 71.22 H new ATOM 0 HG12 ILE A 34 10.298 -4.976 5.068 1.00 14.33 H new ATOM 0 HG13 ILE A 34 10.515 -6.611 4.474 1.00 14.33 H new ATOM 0 HG21 ILE A 34 11.040 -6.820 1.956 1.00 73.31 H new ATOM 0 HG22 ILE A 34 10.322 -5.637 0.837 1.00 73.31 H new ATOM 0 HG23 ILE A 34 11.839 -5.253 1.685 1.00 73.31 H new ATOM 0 HD11 ILE A 34 12.620 -5.723 5.385 1.00 12.11 H new ATOM 0 HD12 ILE A 34 12.784 -6.021 3.638 1.00 12.11 H new ATOM 0 HD13 ILE A 34 12.564 -4.361 4.241 1.00 12.11 H new ATOM 592 N LEU A 35 9.863 -2.441 4.930 1.00 25.22 N ATOM 593 CA LEU A 35 10.589 -1.815 6.061 1.00 51.34 C ATOM 594 C LEU A 35 10.912 -2.818 7.201 1.00 24.42 C ATOM 595 O LEU A 35 11.871 -2.614 7.950 1.00 54.32 O ATOM 596 CB LEU A 35 9.897 -0.521 6.578 1.00 52.52 C ATOM 597 CG LEU A 35 10.519 0.803 6.056 1.00 54.42 C ATOM 598 CD1 LEU A 35 10.487 0.916 4.535 1.00 21.32 C ATOM 599 CD2 LEU A 35 9.823 2.007 6.663 1.00 71.22 C ATOM 0 H LEU A 35 8.873 -2.624 5.093 1.00 25.22 H new ATOM 0 HA LEU A 35 11.552 -1.501 5.658 1.00 51.34 H new ATOM 0 HB2 LEU A 35 8.845 -0.549 6.293 1.00 52.52 H new ATOM 0 HB3 LEU A 35 9.932 -0.518 7.667 1.00 52.52 H new ATOM 0 HG LEU A 35 11.564 0.785 6.366 1.00 54.42 H new ATOM 0 HD11 LEU A 35 10.935 1.862 4.231 1.00 21.32 H new ATOM 0 HD12 LEU A 35 11.049 0.091 4.097 1.00 21.32 H new ATOM 0 HD13 LEU A 35 9.454 0.876 4.189 1.00 21.32 H new ATOM 0 HD21 LEU A 35 10.278 2.921 6.281 1.00 71.22 H new ATOM 0 HD22 LEU A 35 8.766 1.989 6.397 1.00 71.22 H new ATOM 0 HD23 LEU A 35 9.925 1.977 7.748 1.00 71.22 H new ATOM 611 N LYS A 36 10.127 -3.906 7.306 1.00 2.41 N ATOM 612 CA LYS A 36 10.247 -4.905 8.393 1.00 73.03 C ATOM 613 C LYS A 36 9.678 -6.254 7.890 1.00 34.14 C ATOM 614 O LYS A 36 8.647 -6.246 7.244 1.00 70.23 O ATOM 615 CB LYS A 36 9.450 -4.386 9.621 1.00 63.10 C ATOM 616 CG LYS A 36 9.614 -5.152 10.946 1.00 3.53 C ATOM 617 CD LYS A 36 8.615 -6.301 11.101 1.00 11.23 C ATOM 618 CE LYS A 36 8.117 -6.431 12.529 1.00 52.15 C ATOM 619 NZ LYS A 36 7.301 -5.260 12.923 1.00 62.33 N ATOM 0 H LYS A 36 9.387 -4.121 6.638 1.00 2.41 H new ATOM 0 HA LYS A 36 11.287 -5.053 8.683 1.00 73.03 H new ATOM 0 HB2 LYS A 36 9.736 -3.348 9.794 1.00 63.10 H new ATOM 0 HB3 LYS A 36 8.392 -4.386 9.360 1.00 63.10 H new ATOM 0 HG2 LYS A 36 10.627 -5.549 11.007 1.00 3.53 H new ATOM 0 HG3 LYS A 36 9.493 -4.458 11.778 1.00 3.53 H new ATOM 0 HD2 LYS A 36 7.768 -6.138 10.435 1.00 11.23 H new ATOM 0 HD3 LYS A 36 9.086 -7.235 10.795 1.00 11.23 H new ATOM 0 HE2 LYS A 36 7.524 -7.340 12.628 1.00 52.15 H new ATOM 0 HE3 LYS A 36 8.966 -6.529 13.205 1.00 52.15 H new ATOM 0 HZ1 LYS A 36 6.470 -5.581 13.460 1.00 62.33 H new ATOM 0 HZ2 LYS A 36 7.871 -4.623 13.516 1.00 62.33 H new ATOM 0 HZ3 LYS A 36 6.988 -4.752 12.071 1.00 62.33 H new ATOM 633 N CYS A 37 10.348 -7.406 8.130 1.00 22.34 N ATOM 634 CA CYS A 37 9.753 -8.714 7.753 1.00 34.45 C ATOM 635 C CYS A 37 10.146 -9.771 8.741 1.00 60.43 C ATOM 636 O CYS A 37 11.330 -10.100 8.881 1.00 61.24 O ATOM 637 CB CYS A 37 10.025 -9.186 6.298 1.00 44.10 C ATOM 638 SG CYS A 37 9.186 -10.728 5.891 1.00 71.43 S ATOM 0 H CYS A 37 11.268 -7.461 8.567 1.00 22.34 H new ATOM 0 HA CYS A 37 8.676 -8.549 7.784 1.00 34.45 H new ATOM 0 HB2 CYS A 37 9.704 -8.410 5.604 1.00 44.10 H new ATOM 0 HB3 CYS A 37 11.098 -9.315 6.158 1.00 44.10 H new ATOM 0 HG CYS A 37 8.060 -10.793 6.538 1.00 71.43 H new ATOM 644 N ASP A 38 9.156 -10.288 9.444 1.00 1.33 N ATOM 645 CA ASP A 38 9.449 -11.266 10.493 1.00 24.53 C ATOM 646 C ASP A 38 8.582 -12.547 10.351 1.00 31.44 C ATOM 647 O ASP A 38 7.498 -12.500 9.797 1.00 12.04 O ATOM 648 CB ASP A 38 9.338 -10.609 11.892 1.00 11.35 C ATOM 649 CG ASP A 38 7.942 -10.620 12.501 1.00 45.35 C ATOM 650 OD1 ASP A 38 7.164 -9.680 12.243 1.00 1.31 O ATOM 651 OD2 ASP A 38 7.633 -11.559 13.257 1.00 24.21 O ATOM 0 H ASP A 38 8.169 -10.061 9.320 1.00 1.33 H new ATOM 0 HA ASP A 38 10.480 -11.598 10.375 1.00 24.53 H new ATOM 0 HB2 ASP A 38 10.018 -11.121 12.572 1.00 11.35 H new ATOM 0 HB3 ASP A 38 9.678 -9.576 11.819 1.00 11.35 H new ATOM 656 N VAL A 39 9.104 -13.702 10.786 1.00 4.41 N ATOM 657 CA VAL A 39 8.386 -14.992 10.667 1.00 22.30 C ATOM 658 C VAL A 39 8.066 -15.576 12.083 1.00 55.13 C ATOM 659 O VAL A 39 8.968 -15.870 12.880 1.00 30.44 O ATOM 660 CB VAL A 39 9.139 -16.011 9.644 1.00 73.22 C ATOM 661 CG1 VAL A 39 10.646 -15.937 9.782 1.00 12.03 C ATOM 662 CG2 VAL A 39 8.795 -17.521 9.730 1.00 34.33 C ATOM 0 H VAL A 39 10.022 -13.776 11.225 1.00 4.41 H new ATOM 0 HA VAL A 39 7.415 -14.825 10.200 1.00 22.30 H new ATOM 0 HB VAL A 39 8.757 -15.643 8.691 1.00 73.22 H new ATOM 0 HG11 VAL A 39 11.110 -16.632 9.082 1.00 12.03 H new ATOM 0 HG12 VAL A 39 10.982 -14.923 9.563 1.00 12.03 H new ATOM 0 HG13 VAL A 39 10.932 -16.202 10.800 1.00 12.03 H new ATOM 0 HG21 VAL A 39 9.375 -18.069 8.988 1.00 34.33 H new ATOM 0 HG22 VAL A 39 9.036 -17.893 10.726 1.00 34.33 H new ATOM 0 HG23 VAL A 39 7.732 -17.663 9.537 1.00 34.33 H new ATOM 672 N LYS A 40 6.744 -15.695 12.375 1.00 70.44 N ATOM 673 CA LYS A 40 6.176 -16.033 13.709 1.00 23.41 C ATOM 674 C LYS A 40 5.608 -17.489 13.631 1.00 22.22 C ATOM 675 O LYS A 40 5.056 -17.835 12.589 1.00 33.21 O ATOM 676 CB LYS A 40 5.022 -15.012 13.996 1.00 52.40 C ATOM 677 CG LYS A 40 5.416 -13.665 14.640 1.00 62.24 C ATOM 678 CD LYS A 40 4.393 -12.544 14.252 1.00 23.31 C ATOM 679 CE LYS A 40 4.428 -11.313 15.162 1.00 70.43 C ATOM 680 NZ LYS A 40 5.768 -10.686 15.240 1.00 13.55 N ATOM 0 H LYS A 40 6.022 -15.554 11.668 1.00 70.44 H new ATOM 0 HA LYS A 40 6.922 -15.979 14.502 1.00 23.41 H new ATOM 0 HB2 LYS A 40 4.516 -14.801 13.054 1.00 52.40 H new ATOM 0 HB3 LYS A 40 4.295 -15.498 14.647 1.00 52.40 H new ATOM 0 HG2 LYS A 40 5.452 -13.772 15.724 1.00 62.24 H new ATOM 0 HG3 LYS A 40 6.416 -13.380 14.314 1.00 62.24 H new ATOM 0 HD2 LYS A 40 4.589 -12.229 13.227 1.00 23.31 H new ATOM 0 HD3 LYS A 40 3.388 -12.965 14.269 1.00 23.31 H new ATOM 0 HE2 LYS A 40 3.710 -10.578 14.797 1.00 70.43 H new ATOM 0 HE3 LYS A 40 4.109 -11.600 16.164 1.00 70.43 H new ATOM 0 HZ1 LYS A 40 6.192 -10.887 16.168 1.00 13.55 H new ATOM 0 HZ2 LYS A 40 6.376 -11.073 14.490 1.00 13.55 H new ATOM 0 HZ3 LYS A 40 5.678 -9.657 15.116 1.00 13.55 H new ATOM 694 N LYS A 41 5.715 -18.372 14.669 1.00 75.24 N ATOM 695 CA LYS A 41 5.200 -19.754 14.477 1.00 12.13 C ATOM 696 C LYS A 41 4.260 -20.136 15.675 1.00 52.44 C ATOM 697 O LYS A 41 4.516 -19.679 16.794 1.00 61.55 O ATOM 698 CB LYS A 41 6.387 -20.803 14.196 1.00 70.24 C ATOM 699 CG LYS A 41 6.992 -21.576 15.393 1.00 15.15 C ATOM 700 CD LYS A 41 7.501 -20.673 16.513 1.00 54.42 C ATOM 701 CE LYS A 41 8.586 -19.703 16.074 1.00 13.10 C ATOM 702 NZ LYS A 41 9.576 -19.444 17.151 1.00 42.13 N ATOM 0 H LYS A 41 6.123 -18.170 15.582 1.00 75.24 H new ATOM 0 HA LYS A 41 4.590 -19.797 13.575 1.00 12.13 H new ATOM 0 HB2 LYS A 41 6.017 -21.538 13.481 1.00 70.24 H new ATOM 0 HB3 LYS A 41 7.198 -20.262 13.707 1.00 70.24 H new ATOM 0 HG2 LYS A 41 6.237 -22.251 15.797 1.00 15.15 H new ATOM 0 HG3 LYS A 41 7.815 -22.195 15.036 1.00 15.15 H new ATOM 0 HD2 LYS A 41 6.663 -20.107 16.919 1.00 54.42 H new ATOM 0 HD3 LYS A 41 7.887 -21.294 17.321 1.00 54.42 H new ATOM 0 HE2 LYS A 41 9.099 -20.105 15.200 1.00 13.10 H new ATOM 0 HE3 LYS A 41 8.128 -18.762 15.770 1.00 13.10 H new ATOM 0 HZ1 LYS A 41 10.297 -18.778 16.807 1.00 42.13 H new ATOM 0 HZ2 LYS A 41 9.092 -19.036 17.976 1.00 42.13 H new ATOM 0 HZ3 LYS A 41 10.033 -20.337 17.425 1.00 42.13 H new ATOM 716 N THR A 42 3.137 -20.887 15.475 1.00 43.33 N ATOM 717 CA THR A 42 2.319 -21.284 16.628 1.00 30.44 C ATOM 718 C THR A 42 2.605 -22.765 17.055 1.00 14.42 C ATOM 719 O THR A 42 3.401 -23.444 16.397 1.00 64.22 O ATOM 720 CB THR A 42 0.780 -21.028 16.398 1.00 34.42 C ATOM 721 OG1 THR A 42 0.088 -21.033 17.652 1.00 12.41 O ATOM 722 CG2 THR A 42 0.097 -22.051 15.475 1.00 42.40 C ATOM 0 H THR A 42 2.801 -21.209 14.567 1.00 43.33 H new ATOM 0 HA THR A 42 2.616 -20.640 17.456 1.00 30.44 H new ATOM 0 HB THR A 42 0.723 -20.057 15.906 1.00 34.42 H new ATOM 0 HG1 THR A 42 -0.867 -20.872 17.500 1.00 12.41 H new ATOM 0 HG21 THR A 42 -0.959 -21.800 15.372 1.00 42.40 H new ATOM 0 HG22 THR A 42 0.572 -22.031 14.494 1.00 42.40 H new ATOM 0 HG23 THR A 42 0.192 -23.049 15.904 1.00 42.40 H new ATOM 730 N VAL A 43 1.959 -23.256 18.163 1.00 12.03 N ATOM 731 CA VAL A 43 2.187 -24.614 18.719 1.00 54.01 C ATOM 732 C VAL A 43 1.468 -25.732 17.895 1.00 62.12 C ATOM 733 O VAL A 43 1.737 -26.920 18.087 1.00 63.41 O ATOM 734 CB VAL A 43 1.769 -24.714 20.250 1.00 10.31 C ATOM 735 CG1 VAL A 43 2.595 -25.773 20.975 1.00 60.24 C ATOM 736 CG2 VAL A 43 1.883 -23.371 21.000 1.00 64.43 C ATOM 0 H VAL A 43 1.270 -22.715 18.686 1.00 12.03 H new ATOM 0 HA VAL A 43 3.261 -24.782 18.644 1.00 54.01 H new ATOM 0 HB VAL A 43 0.717 -25.001 20.252 1.00 10.31 H new ATOM 0 HG11 VAL A 43 2.289 -25.821 22.020 1.00 60.24 H new ATOM 0 HG12 VAL A 43 2.435 -26.744 20.505 1.00 60.24 H new ATOM 0 HG13 VAL A 43 3.652 -25.512 20.918 1.00 60.24 H new ATOM 0 HG21 VAL A 43 1.583 -23.508 22.039 1.00 64.43 H new ATOM 0 HG22 VAL A 43 2.914 -23.020 20.963 1.00 64.43 H new ATOM 0 HG23 VAL A 43 1.232 -22.635 20.529 1.00 64.43 H new ATOM 746 N SER A 44 0.597 -25.351 16.940 1.00 15.11 N ATOM 747 CA SER A 44 -0.235 -26.318 16.202 1.00 60.34 C ATOM 748 C SER A 44 0.480 -26.799 14.918 1.00 21.42 C ATOM 749 O SER A 44 -0.078 -27.584 14.142 1.00 24.45 O ATOM 750 CB SER A 44 -1.611 -25.683 15.856 1.00 25.25 C ATOM 751 OG SER A 44 -2.544 -26.662 15.422 1.00 1.11 O ATOM 0 H SER A 44 0.452 -24.380 16.663 1.00 15.11 H new ATOM 0 HA SER A 44 -0.398 -27.187 16.839 1.00 60.34 H new ATOM 0 HB2 SER A 44 -2.005 -25.167 16.732 1.00 25.25 H new ATOM 0 HB3 SER A 44 -1.480 -24.933 15.076 1.00 25.25 H new ATOM 0 HG SER A 44 -2.090 -27.316 14.850 1.00 1.11 H new ATOM 757 N GLY A 45 1.717 -26.327 14.710 1.00 1.25 N ATOM 758 CA GLY A 45 2.508 -26.713 13.538 1.00 71.44 C ATOM 759 C GLY A 45 2.212 -25.916 12.258 1.00 24.44 C ATOM 760 O GLY A 45 2.919 -26.080 11.265 1.00 12.21 O ATOM 0 H GLY A 45 2.189 -25.678 15.339 1.00 1.25 H new ATOM 0 HA2 GLY A 45 3.565 -26.602 13.780 1.00 71.44 H new ATOM 0 HA3 GLY A 45 2.337 -27.770 13.336 1.00 71.44 H new ATOM 764 N ALA A 46 1.179 -25.062 12.276 1.00 51.10 N ATOM 765 CA ALA A 46 0.987 -24.071 11.209 1.00 44.12 C ATOM 766 C ALA A 46 1.958 -22.888 11.443 1.00 43.10 C ATOM 767 O ALA A 46 2.083 -22.395 12.572 1.00 62.23 O ATOM 768 CB ALA A 46 -0.491 -23.615 11.104 1.00 74.44 C ATOM 0 H ALA A 46 0.471 -25.037 13.010 1.00 51.10 H new ATOM 0 HA ALA A 46 1.219 -24.527 10.247 1.00 44.12 H new ATOM 0 HB1 ALA A 46 -0.590 -22.882 10.303 1.00 74.44 H new ATOM 0 HB2 ALA A 46 -1.123 -24.476 10.888 1.00 74.44 H new ATOM 0 HB3 ALA A 46 -0.801 -23.165 12.047 1.00 74.44 H new ATOM 774 N ALA A 47 2.667 -22.462 10.392 1.00 12.31 N ATOM 775 CA ALA A 47 3.724 -21.449 10.515 1.00 63.32 C ATOM 776 C ALA A 47 3.316 -20.206 9.700 1.00 74.35 C ATOM 777 O ALA A 47 2.672 -20.358 8.656 1.00 71.43 O ATOM 778 CB ALA A 47 5.081 -22.040 10.080 1.00 11.30 C ATOM 0 H ALA A 47 2.528 -22.804 9.441 1.00 12.31 H new ATOM 0 HA ALA A 47 3.845 -21.140 11.553 1.00 63.32 H new ATOM 0 HB1 ALA A 47 5.856 -21.280 10.176 1.00 11.30 H new ATOM 0 HB2 ALA A 47 5.327 -22.891 10.715 1.00 11.30 H new ATOM 0 HB3 ALA A 47 5.019 -22.367 9.042 1.00 11.30 H new ATOM 784 N PHE A 48 3.667 -18.984 10.156 1.00 61.12 N ATOM 785 CA PHE A 48 3.106 -17.760 9.560 1.00 52.43 C ATOM 786 C PHE A 48 4.224 -16.782 9.177 1.00 24.55 C ATOM 787 O PHE A 48 5.285 -16.778 9.806 1.00 45.04 O ATOM 788 CB PHE A 48 2.213 -17.055 10.605 1.00 40.40 C ATOM 789 CG PHE A 48 1.201 -17.957 11.210 1.00 74.33 C ATOM 790 CD1 PHE A 48 -0.007 -18.164 10.589 1.00 22.54 C ATOM 791 CD2 PHE A 48 1.482 -18.619 12.383 1.00 24.11 C ATOM 792 CE1 PHE A 48 -0.930 -19.017 11.135 1.00 2.44 C ATOM 793 CE2 PHE A 48 0.578 -19.461 12.929 1.00 2.42 C ATOM 794 CZ PHE A 48 -0.639 -19.675 12.313 1.00 62.32 C ATOM 0 H PHE A 48 4.323 -18.823 10.920 1.00 61.12 H new ATOM 0 HA PHE A 48 2.539 -18.040 8.673 1.00 52.43 H new ATOM 0 HB2 PHE A 48 2.843 -16.644 11.394 1.00 40.40 H new ATOM 0 HB3 PHE A 48 1.705 -16.214 10.132 1.00 40.40 H new ATOM 0 HD1 PHE A 48 -0.230 -17.651 9.665 1.00 22.54 H new ATOM 0 HD2 PHE A 48 2.433 -18.464 12.871 1.00 24.11 H new ATOM 0 HE1 PHE A 48 -1.880 -19.174 10.646 1.00 2.44 H new ATOM 0 HE2 PHE A 48 0.809 -19.970 13.853 1.00 2.42 H new ATOM 0 HZ PHE A 48 -1.358 -20.352 12.750 1.00 62.32 H new ATOM 804 N ALA A 49 3.998 -15.965 8.137 1.00 21.51 N ATOM 805 CA ALA A 49 4.976 -14.940 7.766 1.00 74.30 C ATOM 806 C ALA A 49 4.334 -13.566 7.611 1.00 3.51 C ATOM 807 O ALA A 49 3.168 -13.441 7.228 1.00 2.31 O ATOM 808 CB ALA A 49 5.891 -15.385 6.592 1.00 63.31 C ATOM 0 H ALA A 49 3.164 -15.994 7.551 1.00 21.51 H new ATOM 0 HA ALA A 49 5.667 -14.822 8.601 1.00 74.30 H new ATOM 0 HB1 ALA A 49 6.597 -14.588 6.358 1.00 63.31 H new ATOM 0 HB2 ALA A 49 6.439 -16.283 6.878 1.00 63.31 H new ATOM 0 HB3 ALA A 49 5.280 -15.597 5.715 1.00 63.31 H new ATOM 814 N PHE A 50 5.113 -12.539 7.960 1.00 30.13 N ATOM 815 CA PHE A 50 4.584 -11.241 8.312 1.00 32.44 C ATOM 816 C PHE A 50 5.413 -10.213 7.543 1.00 71.33 C ATOM 817 O PHE A 50 6.631 -10.060 7.838 1.00 4.21 O ATOM 818 CB PHE A 50 4.702 -11.038 9.858 1.00 25.35 C ATOM 819 CG PHE A 50 3.870 -9.923 10.419 1.00 50.34 C ATOM 820 CD1 PHE A 50 2.534 -10.138 10.717 1.00 34.15 C ATOM 821 CD2 PHE A 50 4.423 -8.680 10.687 1.00 5.21 C ATOM 822 CE1 PHE A 50 1.761 -9.133 11.263 1.00 63.33 C ATOM 823 CE2 PHE A 50 3.656 -7.673 11.240 1.00 62.20 C ATOM 824 CZ PHE A 50 2.325 -7.901 11.529 1.00 45.42 C ATOM 0 H PHE A 50 6.131 -12.596 8.003 1.00 30.13 H new ATOM 0 HA PHE A 50 3.530 -11.139 8.053 1.00 32.44 H new ATOM 0 HB2 PHE A 50 4.419 -11.967 10.353 1.00 25.35 H new ATOM 0 HB3 PHE A 50 5.747 -10.851 10.105 1.00 25.35 H new ATOM 0 HD1 PHE A 50 2.092 -11.104 10.520 1.00 34.15 H new ATOM 0 HD2 PHE A 50 5.463 -8.497 10.461 1.00 5.21 H new ATOM 0 HE1 PHE A 50 0.718 -9.310 11.481 1.00 63.33 H new ATOM 0 HE2 PHE A 50 4.097 -6.709 11.446 1.00 62.20 H new ATOM 0 HZ PHE A 50 1.725 -7.115 11.963 1.00 45.42 H new ATOM 834 N ILE A 51 4.789 -9.485 6.584 1.00 31.33 N ATOM 835 CA ILE A 51 5.622 -8.564 5.721 1.00 33.45 C ATOM 836 C ILE A 51 5.076 -7.166 5.807 1.00 1.53 C ATOM 837 O ILE A 51 4.030 -6.853 5.254 1.00 43.55 O ATOM 838 CB ILE A 51 5.779 -8.901 4.166 1.00 10.01 C ATOM 839 CG1 ILE A 51 5.986 -10.390 3.817 1.00 12.12 C ATOM 840 CG2 ILE A 51 7.008 -8.169 3.629 1.00 33.21 C ATOM 841 CD1 ILE A 51 4.827 -11.350 4.111 1.00 5.31 C ATOM 0 H ILE A 51 3.789 -9.499 6.384 1.00 31.33 H new ATOM 0 HA ILE A 51 6.618 -8.699 6.142 1.00 33.45 H new ATOM 0 HB ILE A 51 4.833 -8.591 3.721 1.00 10.01 H new ATOM 0 HG12 ILE A 51 6.219 -10.458 2.754 1.00 12.12 H new ATOM 0 HG13 ILE A 51 6.863 -10.744 4.359 1.00 12.12 H new ATOM 0 HG21 ILE A 51 7.128 -8.389 2.568 1.00 33.21 H new ATOM 0 HG22 ILE A 51 6.880 -7.095 3.764 1.00 33.21 H new ATOM 0 HG23 ILE A 51 7.894 -8.500 4.171 1.00 33.21 H new ATOM 0 HD11 ILE A 51 5.109 -12.361 3.817 1.00 5.31 H new ATOM 0 HD12 ILE A 51 4.601 -11.332 5.177 1.00 5.31 H new ATOM 0 HD13 ILE A 51 3.947 -11.041 3.548 1.00 5.31 H new ATOM 853 N GLU A 52 5.844 -6.324 6.443 1.00 1.00 N ATOM 854 CA GLU A 52 5.423 -4.967 6.722 1.00 1.35 C ATOM 855 C GLU A 52 6.235 -3.965 5.854 1.00 10.23 C ATOM 856 O GLU A 52 7.428 -3.691 6.086 1.00 31.22 O ATOM 857 CB GLU A 52 5.519 -4.762 8.248 1.00 13.54 C ATOM 858 CG GLU A 52 5.272 -3.363 8.772 1.00 3.53 C ATOM 859 CD GLU A 52 5.066 -3.386 10.278 1.00 12.00 C ATOM 860 OE1 GLU A 52 3.910 -3.574 10.721 1.00 5.54 O ATOM 861 OE2 GLU A 52 6.060 -3.240 11.020 1.00 31.01 O ATOM 0 H GLU A 52 6.778 -6.553 6.784 1.00 1.00 H new ATOM 0 HA GLU A 52 4.387 -4.778 6.440 1.00 1.35 H new ATOM 0 HB2 GLU A 52 4.805 -5.433 8.725 1.00 13.54 H new ATOM 0 HB3 GLU A 52 6.513 -5.073 8.569 1.00 13.54 H new ATOM 0 HG2 GLU A 52 6.118 -2.721 8.525 1.00 3.53 H new ATOM 0 HG3 GLU A 52 4.395 -2.936 8.286 1.00 3.53 H new ATOM 868 N PHE A 53 5.581 -3.463 4.793 1.00 44.54 N ATOM 869 CA PHE A 53 6.253 -2.597 3.812 1.00 62.30 C ATOM 870 C PHE A 53 5.752 -1.128 3.847 1.00 1.33 C ATOM 871 O PHE A 53 4.681 -0.861 4.408 1.00 1.32 O ATOM 872 CB PHE A 53 6.206 -3.218 2.362 1.00 63.33 C ATOM 873 CG PHE A 53 4.885 -3.767 1.840 1.00 21.31 C ATOM 874 CD1 PHE A 53 3.664 -3.428 2.410 1.00 31.45 C ATOM 875 CD2 PHE A 53 4.880 -4.652 0.750 1.00 44.44 C ATOM 876 CE1 PHE A 53 2.490 -3.950 1.925 1.00 13.42 C ATOM 877 CE2 PHE A 53 3.698 -5.172 0.271 1.00 44.12 C ATOM 878 CZ PHE A 53 2.506 -4.824 0.856 1.00 14.41 C ATOM 0 H PHE A 53 4.596 -3.640 4.594 1.00 44.54 H new ATOM 0 HA PHE A 53 7.301 -2.550 4.109 1.00 62.30 H new ATOM 0 HB2 PHE A 53 6.543 -2.452 1.664 1.00 63.33 H new ATOM 0 HB3 PHE A 53 6.936 -4.026 2.326 1.00 63.33 H new ATOM 0 HD1 PHE A 53 3.638 -2.745 3.246 1.00 31.45 H new ATOM 0 HD2 PHE A 53 5.813 -4.928 0.282 1.00 44.44 H new ATOM 0 HE1 PHE A 53 1.550 -3.676 2.382 1.00 13.42 H new ATOM 0 HE2 PHE A 53 3.709 -5.854 -0.566 1.00 44.12 H new ATOM 0 HZ PHE A 53 1.580 -5.234 0.480 1.00 14.41 H new ATOM 888 N GLU A 54 6.547 -0.171 3.278 1.00 23.01 N ATOM 889 CA GLU A 54 6.097 1.240 3.139 1.00 51.43 C ATOM 890 C GLU A 54 5.002 1.399 2.078 1.00 71.10 C ATOM 891 O GLU A 54 4.008 2.089 2.331 1.00 64.11 O ATOM 892 CB GLU A 54 7.299 2.225 2.898 1.00 22.02 C ATOM 893 CG GLU A 54 7.137 3.345 1.823 1.00 43.42 C ATOM 894 CD GLU A 54 8.142 4.474 2.010 1.00 55.33 C ATOM 895 OE1 GLU A 54 9.324 4.290 1.641 1.00 14.14 O ATOM 896 OE2 GLU A 54 7.768 5.531 2.564 1.00 62.13 O ATOM 0 H GLU A 54 7.484 -0.351 2.916 1.00 23.01 H new ATOM 0 HA GLU A 54 5.649 1.517 4.093 1.00 51.43 H new ATOM 0 HB2 GLU A 54 7.528 2.707 3.848 1.00 22.02 H new ATOM 0 HB3 GLU A 54 8.169 1.627 2.626 1.00 22.02 H new ATOM 0 HG2 GLU A 54 7.260 2.913 0.830 1.00 43.42 H new ATOM 0 HG3 GLU A 54 6.126 3.749 1.872 1.00 43.42 H new ATOM 903 N ASP A 55 5.120 0.731 0.926 1.00 44.23 N ATOM 904 CA ASP A 55 4.074 0.872 -0.066 1.00 5.43 C ATOM 905 C ASP A 55 3.339 -0.451 -0.236 1.00 74.14 C ATOM 906 O ASP A 55 3.921 -1.446 -0.680 1.00 24.12 O ATOM 907 CB ASP A 55 4.669 1.304 -1.420 1.00 40.10 C ATOM 908 CG ASP A 55 4.636 2.807 -1.610 1.00 35.00 C ATOM 909 OD1 ASP A 55 3.519 3.363 -1.722 1.00 43.15 O ATOM 910 OD2 ASP A 55 5.713 3.436 -1.646 1.00 74.43 O ATOM 0 H ASP A 55 5.894 0.117 0.673 1.00 44.23 H new ATOM 0 HA ASP A 55 3.376 1.637 0.275 1.00 5.43 H new ATOM 0 HB2 ASP A 55 5.699 0.954 -1.490 1.00 40.10 H new ATOM 0 HB3 ASP A 55 4.114 0.826 -2.227 1.00 40.10 H new ATOM 915 N ALA A 56 2.051 -0.456 0.136 1.00 21.12 N ATOM 916 CA ALA A 56 1.173 -1.579 -0.178 1.00 54.44 C ATOM 917 C ALA A 56 0.683 -1.665 -1.644 1.00 61.53 C ATOM 918 O ALA A 56 0.286 -2.752 -2.059 1.00 44.22 O ATOM 919 CB ALA A 56 0.002 -1.643 0.806 1.00 44.41 C ATOM 0 H ALA A 56 1.602 0.302 0.651 1.00 21.12 H new ATOM 0 HA ALA A 56 1.803 -2.461 -0.061 1.00 54.44 H new ATOM 0 HB1 ALA A 56 -0.640 -2.487 0.554 1.00 44.41 H new ATOM 0 HB2 ALA A 56 0.384 -1.768 1.819 1.00 44.41 H new ATOM 0 HB3 ALA A 56 -0.574 -0.719 0.747 1.00 44.41 H new ATOM 925 N ARG A 57 0.679 -0.556 -2.436 1.00 22.51 N ATOM 926 CA ARG A 57 0.040 -0.626 -3.779 1.00 35.53 C ATOM 927 C ARG A 57 0.885 -1.385 -4.858 1.00 4.23 C ATOM 928 O ARG A 57 0.281 -2.117 -5.637 1.00 55.31 O ATOM 929 CB ARG A 57 -0.538 0.719 -4.349 1.00 61.24 C ATOM 930 CG ARG A 57 0.472 1.667 -5.016 1.00 1.12 C ATOM 931 CD ARG A 57 -0.198 2.895 -5.628 1.00 32.33 C ATOM 932 NE ARG A 57 -0.795 2.616 -6.934 1.00 74.34 N ATOM 933 CZ ARG A 57 -1.391 3.535 -7.703 1.00 54.21 C ATOM 934 NH1 ARG A 57 -1.494 4.802 -7.294 1.00 65.13 N ATOM 935 NH2 ARG A 57 -1.854 3.193 -8.900 1.00 23.35 N ATOM 0 H ARG A 57 1.085 0.346 -2.188 1.00 22.51 H new ATOM 0 HA ARG A 57 -0.836 -1.237 -3.561 1.00 35.53 H new ATOM 0 HB2 ARG A 57 -1.312 0.477 -5.077 1.00 61.24 H new ATOM 0 HB3 ARG A 57 -1.023 1.255 -3.534 1.00 61.24 H new ATOM 0 HG2 ARG A 57 1.207 1.988 -4.278 1.00 1.12 H new ATOM 0 HG3 ARG A 57 1.014 1.128 -5.793 1.00 1.12 H new ATOM 0 HD2 ARG A 57 -0.970 3.259 -4.950 1.00 32.33 H new ATOM 0 HD3 ARG A 57 0.538 3.692 -5.732 1.00 32.33 H new ATOM 0 HE ARG A 57 -0.754 1.658 -7.281 1.00 74.34 H new ATOM 0 HH11 ARG A 57 -1.116 5.078 -6.387 1.00 65.13 H new ATOM 0 HH12 ARG A 57 -1.950 5.494 -7.888 1.00 65.13 H new ATOM 0 HH21 ARG A 57 -1.755 2.233 -9.230 1.00 23.35 H new ATOM 0 HH22 ARG A 57 -2.309 3.890 -9.489 1.00 23.35 H new ATOM 949 N ASP A 58 2.244 -1.229 -4.957 1.00 20.13 N ATOM 950 CA ASP A 58 2.994 -2.040 -5.977 1.00 2.02 C ATOM 951 C ASP A 58 3.278 -3.556 -5.624 1.00 40.51 C ATOM 952 O ASP A 58 3.225 -4.397 -6.520 1.00 24.32 O ATOM 953 CB ASP A 58 4.277 -1.327 -6.480 1.00 14.43 C ATOM 954 CG ASP A 58 3.982 -0.040 -7.221 1.00 53.13 C ATOM 955 OD1 ASP A 58 2.957 0.027 -7.945 1.00 43.32 O ATOM 956 OD2 ASP A 58 4.779 0.913 -7.105 1.00 23.30 O ATOM 0 H ASP A 58 2.810 -0.598 -4.389 1.00 20.13 H new ATOM 0 HA ASP A 58 2.275 -2.098 -6.794 1.00 2.02 H new ATOM 0 HB2 ASP A 58 4.924 -1.111 -5.630 1.00 14.43 H new ATOM 0 HB3 ASP A 58 4.828 -2.001 -7.137 1.00 14.43 H new ATOM 961 N ALA A 59 3.560 -3.927 -4.348 1.00 14.41 N ATOM 962 CA ALA A 59 3.832 -5.316 -3.924 1.00 32.00 C ATOM 963 C ALA A 59 2.514 -6.191 -3.854 1.00 12.20 C ATOM 964 O ALA A 59 2.532 -7.443 -3.738 1.00 2.33 O ATOM 965 CB ALA A 59 4.786 -5.311 -2.731 1.00 23.54 C ATOM 0 H ALA A 59 3.604 -3.258 -3.579 1.00 14.41 H new ATOM 0 HA ALA A 59 4.385 -5.868 -4.684 1.00 32.00 H new ATOM 0 HB1 ALA A 59 4.985 -6.337 -2.420 1.00 23.54 H new ATOM 0 HB2 ALA A 59 5.722 -4.830 -3.015 1.00 23.54 H new ATOM 0 HB3 ALA A 59 4.333 -4.763 -1.905 1.00 23.54 H new ATOM 971 N ALA A 60 1.368 -5.470 -3.881 1.00 34.50 N ATOM 972 CA ALA A 60 0.029 -6.028 -4.219 1.00 34.51 C ATOM 973 C ALA A 60 0.022 -6.980 -5.484 1.00 51.45 C ATOM 974 O ALA A 60 -0.752 -7.947 -5.466 1.00 51.24 O ATOM 975 CB ALA A 60 -1.035 -4.875 -4.398 1.00 13.23 C ATOM 0 H ALA A 60 1.343 -4.473 -3.667 1.00 34.50 H new ATOM 0 HA ALA A 60 -0.245 -6.653 -3.369 1.00 34.51 H new ATOM 0 HB1 ALA A 60 -2.004 -5.309 -4.644 1.00 13.23 H new ATOM 0 HB2 ALA A 60 -1.117 -4.308 -3.471 1.00 13.23 H new ATOM 0 HB3 ALA A 60 -0.720 -4.211 -5.203 1.00 13.23 H new ATOM 981 N ASP A 61 0.841 -6.726 -6.564 1.00 54.32 N ATOM 982 CA ASP A 61 1.108 -7.767 -7.620 1.00 44.21 C ATOM 983 C ASP A 61 1.611 -9.122 -7.037 1.00 40.44 C ATOM 984 O ASP A 61 1.000 -10.155 -7.300 1.00 24.35 O ATOM 985 CB ASP A 61 2.083 -7.299 -8.712 1.00 4.20 C ATOM 986 CG ASP A 61 1.564 -6.097 -9.474 1.00 45.34 C ATOM 987 OD1 ASP A 61 0.540 -6.245 -10.182 1.00 32.20 O ATOM 988 OD2 ASP A 61 2.189 -5.025 -9.401 1.00 32.31 O ATOM 0 H ASP A 61 1.314 -5.836 -6.722 1.00 54.32 H new ATOM 0 HA ASP A 61 0.131 -7.925 -8.077 1.00 44.21 H new ATOM 0 HB2 ASP A 61 3.042 -7.051 -8.257 1.00 4.20 H new ATOM 0 HB3 ASP A 61 2.263 -8.117 -9.409 1.00 4.20 H new ATOM 993 N ALA A 62 2.695 -9.139 -6.234 1.00 31.33 N ATOM 994 CA ALA A 62 3.097 -10.400 -5.514 1.00 1.03 C ATOM 995 C ALA A 62 2.006 -10.972 -4.621 1.00 11.32 C ATOM 996 O ALA A 62 1.888 -12.198 -4.532 1.00 22.21 O ATOM 997 CB ALA A 62 4.391 -10.309 -4.675 1.00 61.42 C ATOM 0 H ALA A 62 3.298 -8.335 -6.061 1.00 31.33 H new ATOM 0 HA ALA A 62 3.285 -11.069 -6.353 1.00 1.03 H new ATOM 0 HB1 ALA A 62 4.586 -11.271 -4.201 1.00 61.42 H new ATOM 0 HB2 ALA A 62 5.227 -10.048 -5.323 1.00 61.42 H new ATOM 0 HB3 ALA A 62 4.274 -9.544 -3.908 1.00 61.42 H new ATOM 1003 N ILE A 63 1.196 -10.125 -3.966 1.00 2.24 N ATOM 1004 CA ILE A 63 0.176 -10.668 -3.057 1.00 0.25 C ATOM 1005 C ILE A 63 -1.029 -11.329 -3.799 1.00 1.53 C ATOM 1006 O ILE A 63 -1.446 -12.402 -3.382 1.00 4.44 O ATOM 1007 CB ILE A 63 -0.208 -9.627 -1.939 1.00 13.43 C ATOM 1008 CG1 ILE A 63 0.222 -10.107 -0.536 1.00 1.03 C ATOM 1009 CG2 ILE A 63 -1.687 -9.210 -1.935 1.00 12.52 C ATOM 1010 CD1 ILE A 63 -0.739 -11.009 0.206 1.00 4.31 C ATOM 0 H ILE A 63 1.222 -9.108 -4.042 1.00 2.24 H new ATOM 0 HA ILE A 63 0.621 -11.509 -2.526 1.00 0.25 H new ATOM 0 HB ILE A 63 0.355 -8.730 -2.197 1.00 13.43 H new ATOM 0 HG12 ILE A 63 1.172 -10.632 -0.634 1.00 1.03 H new ATOM 0 HG13 ILE A 63 0.406 -9.228 0.081 1.00 1.03 H new ATOM 0 HG21 ILE A 63 -1.860 -8.492 -1.133 1.00 12.52 H new ATOM 0 HG22 ILE A 63 -1.939 -8.753 -2.892 1.00 12.52 H new ATOM 0 HG23 ILE A 63 -2.312 -10.089 -1.777 1.00 12.52 H new ATOM 0 HD11 ILE A 63 -0.316 -11.272 1.176 1.00 4.31 H new ATOM 0 HD12 ILE A 63 -1.686 -10.490 0.352 1.00 4.31 H new ATOM 0 HD13 ILE A 63 -0.908 -11.916 -0.374 1.00 4.31 H new ATOM 1022 N LYS A 64 -1.611 -10.702 -4.864 1.00 51.34 N ATOM 1023 CA LYS A 64 -2.481 -11.431 -5.829 1.00 21.44 C ATOM 1024 C LYS A 64 -1.804 -12.657 -6.510 1.00 52.00 C ATOM 1025 O LYS A 64 -2.481 -13.604 -6.876 1.00 73.54 O ATOM 1026 CB LYS A 64 -3.098 -10.492 -6.927 1.00 24.12 C ATOM 1027 CG LYS A 64 -2.102 -9.705 -7.839 1.00 52.30 C ATOM 1028 CD LYS A 64 -1.521 -10.521 -9.010 1.00 40.10 C ATOM 1029 CE LYS A 64 -0.859 -9.653 -10.076 1.00 71.00 C ATOM 1030 NZ LYS A 64 -1.674 -8.480 -10.474 1.00 1.04 N ATOM 0 H LYS A 64 -1.494 -9.710 -5.071 1.00 51.34 H new ATOM 0 HA LYS A 64 -3.285 -11.816 -5.202 1.00 21.44 H new ATOM 0 HB2 LYS A 64 -3.737 -11.098 -7.569 1.00 24.12 H new ATOM 0 HB3 LYS A 64 -3.743 -9.768 -6.428 1.00 24.12 H new ATOM 0 HG2 LYS A 64 -2.613 -8.830 -8.241 1.00 52.30 H new ATOM 0 HG3 LYS A 64 -1.279 -9.339 -7.225 1.00 52.30 H new ATOM 0 HD2 LYS A 64 -0.790 -11.231 -8.623 1.00 40.10 H new ATOM 0 HD3 LYS A 64 -2.319 -11.104 -9.469 1.00 40.10 H new ATOM 0 HE2 LYS A 64 0.105 -9.306 -9.704 1.00 71.00 H new ATOM 0 HE3 LYS A 64 -0.660 -10.263 -10.957 1.00 71.00 H new ATOM 0 HZ1 LYS A 64 -1.333 -8.113 -11.385 1.00 1.04 H new ATOM 0 HZ2 LYS A 64 -2.670 -8.765 -10.566 1.00 1.04 H new ATOM 0 HZ3 LYS A 64 -1.592 -7.738 -9.750 1.00 1.04 H new ATOM 1044 N GLU A 65 -0.481 -12.639 -6.716 1.00 41.41 N ATOM 1045 CA GLU A 65 0.187 -13.751 -7.388 1.00 41.24 C ATOM 1046 C GLU A 65 0.428 -14.944 -6.428 1.00 42.13 C ATOM 1047 O GLU A 65 0.604 -16.087 -6.883 1.00 14.12 O ATOM 1048 CB GLU A 65 1.437 -13.179 -8.092 1.00 21.12 C ATOM 1049 CG GLU A 65 2.753 -13.706 -7.636 1.00 72.21 C ATOM 1050 CD GLU A 65 3.926 -12.845 -8.061 1.00 3.11 C ATOM 1051 OE1 GLU A 65 3.987 -12.472 -9.249 1.00 2.43 O ATOM 1052 OE2 GLU A 65 4.803 -12.572 -7.216 1.00 24.41 O ATOM 0 H GLU A 65 0.136 -11.878 -6.431 1.00 41.41 H new ATOM 0 HA GLU A 65 -0.441 -14.198 -8.159 1.00 41.24 H new ATOM 0 HB2 GLU A 65 1.344 -13.370 -9.161 1.00 21.12 H new ATOM 0 HB3 GLU A 65 1.438 -12.097 -7.960 1.00 21.12 H new ATOM 0 HG2 GLU A 65 2.747 -13.787 -6.549 1.00 72.21 H new ATOM 0 HG3 GLU A 65 2.889 -14.713 -8.030 1.00 72.21 H new ATOM 1059 N LYS A 66 0.414 -14.689 -5.115 1.00 34.34 N ATOM 1060 CA LYS A 66 0.263 -15.760 -4.135 1.00 23.22 C ATOM 1061 C LYS A 66 -1.240 -15.904 -3.612 1.00 55.22 C ATOM 1062 O LYS A 66 -1.467 -16.658 -2.664 1.00 62.43 O ATOM 1063 CB LYS A 66 1.236 -15.517 -2.921 1.00 64.14 C ATOM 1064 CG LYS A 66 2.700 -15.013 -3.193 1.00 64.41 C ATOM 1065 CD LYS A 66 3.623 -15.887 -4.102 1.00 64.11 C ATOM 1066 CE LYS A 66 4.975 -15.191 -4.351 1.00 64.03 C ATOM 1067 NZ LYS A 66 5.957 -16.070 -5.056 1.00 11.33 N ATOM 0 H LYS A 66 0.505 -13.756 -4.713 1.00 34.34 H new ATOM 0 HA LYS A 66 0.520 -16.694 -4.635 1.00 23.22 H new ATOM 0 HB2 LYS A 66 0.759 -14.794 -2.259 1.00 64.14 H new ATOM 0 HB3 LYS A 66 1.310 -16.454 -2.369 1.00 64.14 H new ATOM 0 HG2 LYS A 66 2.633 -14.022 -3.641 1.00 64.41 H new ATOM 0 HG3 LYS A 66 3.196 -14.895 -2.230 1.00 64.41 H new ATOM 0 HD2 LYS A 66 3.790 -16.856 -3.631 1.00 64.11 H new ATOM 0 HD3 LYS A 66 3.127 -16.077 -5.054 1.00 64.11 H new ATOM 0 HE2 LYS A 66 4.811 -14.290 -4.942 1.00 64.03 H new ATOM 0 HE3 LYS A 66 5.397 -14.875 -3.397 1.00 64.03 H new ATOM 0 HZ1 LYS A 66 6.788 -15.510 -5.333 1.00 11.33 H new ATOM 0 HZ2 LYS A 66 6.253 -16.838 -4.421 1.00 11.33 H new ATOM 0 HZ3 LYS A 66 5.514 -16.474 -5.905 1.00 11.33 H new ATOM 1081 N ASP A 67 -2.267 -15.204 -4.224 1.00 34.43 N ATOM 1082 CA ASP A 67 -3.685 -15.177 -3.688 1.00 64.51 C ATOM 1083 C ASP A 67 -4.512 -16.406 -4.024 1.00 12.11 C ATOM 1084 O ASP A 67 -4.182 -17.143 -4.965 1.00 71.21 O ATOM 1085 CB ASP A 67 -4.501 -13.879 -3.813 1.00 54.12 C ATOM 1086 CG ASP A 67 -5.548 -13.815 -4.937 1.00 3.40 C ATOM 1087 OD1 ASP A 67 -5.185 -13.804 -6.127 1.00 11.32 O ATOM 1088 OD2 ASP A 67 -6.749 -13.724 -4.604 1.00 33.41 O ATOM 0 H ASP A 67 -2.140 -14.659 -5.077 1.00 34.43 H new ATOM 0 HA ASP A 67 -3.458 -15.204 -2.622 1.00 64.51 H new ATOM 0 HB2 ASP A 67 -5.011 -13.708 -2.865 1.00 54.12 H new ATOM 0 HB3 ASP A 67 -3.803 -13.053 -3.953 1.00 54.12 H new ATOM 1093 N GLY A 68 -5.601 -16.637 -3.271 1.00 74.22 N ATOM 1094 CA GLY A 68 -6.208 -17.941 -3.322 1.00 43.41 C ATOM 1095 C GLY A 68 -6.176 -18.724 -2.029 1.00 53.02 C ATOM 1096 O GLY A 68 -6.063 -19.953 -2.096 1.00 42.22 O ATOM 0 H GLY A 68 -6.049 -15.961 -2.652 1.00 74.22 H new ATOM 0 HA2 GLY A 68 -7.247 -17.827 -3.632 1.00 43.41 H new ATOM 0 HA3 GLY A 68 -5.707 -18.526 -4.093 1.00 43.41 H new ATOM 1100 N CYS A 69 -6.208 -18.006 -0.860 1.00 52.25 N ATOM 1101 CA CYS A 69 -6.049 -18.631 0.459 1.00 65.24 C ATOM 1102 C CYS A 69 -6.986 -19.819 0.656 1.00 12.04 C ATOM 1103 O CYS A 69 -8.219 -19.699 0.548 1.00 43.54 O ATOM 1104 CB CYS A 69 -6.400 -17.581 1.555 1.00 51.15 C ATOM 1105 SG CYS A 69 -7.430 -16.203 0.994 1.00 23.23 S ATOM 0 H CYS A 69 -6.343 -16.996 -0.825 1.00 52.25 H new ATOM 0 HA CYS A 69 -5.019 -18.980 0.530 1.00 65.24 H new ATOM 0 HB2 CYS A 69 -6.913 -18.089 2.372 1.00 51.15 H new ATOM 0 HB3 CYS A 69 -5.472 -17.179 1.962 1.00 51.15 H new ATOM 0 HG CYS A 69 -7.657 -15.398 1.989 1.00 23.23 H new ATOM 1111 N ASP A 70 -6.391 -20.979 0.992 1.00 22.42 N ATOM 1112 CA ASP A 70 -7.179 -22.177 1.126 1.00 25.54 C ATOM 1113 C ASP A 70 -6.844 -22.957 2.413 1.00 2.33 C ATOM 1114 O ASP A 70 -5.680 -22.933 2.882 1.00 44.31 O ATOM 1115 CB ASP A 70 -7.018 -23.068 -0.108 1.00 51.32 C ATOM 1116 CG ASP A 70 -8.298 -23.814 -0.438 1.00 23.33 C ATOM 1117 OD1 ASP A 70 -8.507 -24.917 0.113 1.00 14.50 O ATOM 1118 OD2 ASP A 70 -9.100 -23.292 -1.244 1.00 13.13 O ATOM 0 H ASP A 70 -5.393 -21.093 1.168 1.00 22.42 H new ATOM 0 HA ASP A 70 -8.222 -21.870 1.203 1.00 25.54 H new ATOM 0 HB2 ASP A 70 -6.724 -22.457 -0.961 1.00 51.32 H new ATOM 0 HB3 ASP A 70 -6.214 -23.784 0.064 1.00 51.32 H new ATOM 1123 N PHE A 71 -7.875 -23.674 2.920 1.00 62.32 N ATOM 1124 CA PHE A 71 -7.936 -24.336 4.212 1.00 12.12 C ATOM 1125 C PHE A 71 -8.808 -25.582 4.024 1.00 62.40 C ATOM 1126 O PHE A 71 -9.706 -25.534 3.180 1.00 75.34 O ATOM 1127 CB PHE A 71 -8.464 -23.427 5.356 1.00 55.53 C ATOM 1128 CG PHE A 71 -9.594 -22.479 4.995 1.00 72.31 C ATOM 1129 CD1 PHE A 71 -10.890 -22.942 4.808 1.00 44.42 C ATOM 1130 CD2 PHE A 71 -9.353 -21.115 4.873 1.00 74.25 C ATOM 1131 CE1 PHE A 71 -11.915 -22.067 4.498 1.00 41.24 C ATOM 1132 CE2 PHE A 71 -10.374 -20.240 4.567 1.00 53.10 C ATOM 1133 CZ PHE A 71 -11.655 -20.714 4.384 1.00 52.31 C ATOM 0 H PHE A 71 -8.736 -23.804 2.389 1.00 62.32 H new ATOM 0 HA PHE A 71 -6.928 -24.601 4.532 1.00 12.12 H new ATOM 0 HB2 PHE A 71 -8.801 -24.066 6.173 1.00 55.53 H new ATOM 0 HB3 PHE A 71 -7.630 -22.837 5.736 1.00 55.53 H new ATOM 0 HD1 PHE A 71 -11.100 -23.997 4.906 1.00 44.42 H new ATOM 0 HD2 PHE A 71 -8.353 -20.736 5.020 1.00 74.25 H new ATOM 0 HE1 PHE A 71 -12.917 -22.440 4.345 1.00 41.24 H new ATOM 0 HE2 PHE A 71 -10.170 -19.184 4.471 1.00 53.10 H new ATOM 0 HZ PHE A 71 -12.456 -20.028 4.151 1.00 52.31 H new ATOM 1143 N GLU A 72 -8.507 -26.691 4.733 1.00 63.45 N ATOM 1144 CA GLU A 72 -9.226 -27.993 4.560 1.00 32.13 C ATOM 1145 C GLU A 72 -8.845 -28.730 3.254 1.00 75.54 C ATOM 1146 O GLU A 72 -9.661 -28.902 2.343 1.00 41.40 O ATOM 1147 CB GLU A 72 -10.790 -27.886 4.654 1.00 12.05 C ATOM 1148 CG GLU A 72 -11.388 -27.508 6.011 1.00 22.35 C ATOM 1149 CD GLU A 72 -10.862 -28.345 7.160 1.00 52.20 C ATOM 1150 OE1 GLU A 72 -11.442 -29.419 7.429 1.00 0.33 O ATOM 1151 OE2 GLU A 72 -9.881 -27.915 7.810 1.00 55.31 O ATOM 0 H GLU A 72 -7.769 -26.721 5.436 1.00 63.45 H new ATOM 0 HA GLU A 72 -8.883 -28.581 5.412 1.00 32.13 H new ATOM 0 HB2 GLU A 72 -11.122 -27.150 3.922 1.00 12.05 H new ATOM 0 HB3 GLU A 72 -11.212 -28.845 4.355 1.00 12.05 H new ATOM 0 HG2 GLU A 72 -11.177 -26.457 6.212 1.00 22.35 H new ATOM 0 HG3 GLU A 72 -12.472 -27.612 5.963 1.00 22.35 H new ATOM 1158 N GLY A 73 -7.566 -29.109 3.170 1.00 15.44 N ATOM 1159 CA GLY A 73 -7.089 -30.036 2.131 1.00 1.13 C ATOM 1160 C GLY A 73 -6.427 -29.412 0.904 1.00 73.21 C ATOM 1161 O GLY A 73 -5.799 -30.134 0.125 1.00 43.24 O ATOM 0 H GLY A 73 -6.838 -28.789 3.809 1.00 15.44 H new ATOM 0 HA2 GLY A 73 -6.377 -30.723 2.589 1.00 1.13 H new ATOM 0 HA3 GLY A 73 -7.936 -30.633 1.793 1.00 1.13 H new ATOM 1165 N ASN A 74 -6.549 -28.109 0.716 1.00 13.14 N ATOM 1166 CA ASN A 74 -5.507 -27.372 -0.014 1.00 34.53 C ATOM 1167 C ASN A 74 -4.862 -26.446 0.988 1.00 21.31 C ATOM 1168 O ASN A 74 -5.548 -25.667 1.626 1.00 1.31 O ATOM 1169 CB ASN A 74 -6.004 -26.613 -1.293 1.00 64.51 C ATOM 1170 CG ASN A 74 -6.604 -27.549 -2.326 1.00 1.40 C ATOM 1171 OD1 ASN A 74 -7.797 -27.849 -2.299 1.00 30.35 O ATOM 1172 ND2 ASN A 74 -5.780 -28.011 -3.258 1.00 40.13 N ATOM 0 H ASN A 74 -7.332 -27.544 1.044 1.00 13.14 H new ATOM 0 HA ASN A 74 -4.792 -28.084 -0.426 1.00 34.53 H new ATOM 0 HB2 ASN A 74 -6.748 -25.870 -1.005 1.00 64.51 H new ATOM 0 HB3 ASN A 74 -5.169 -26.072 -1.738 1.00 64.51 H new ATOM 0 HD21 ASN A 74 -6.130 -28.636 -3.984 1.00 40.13 H new ATOM 0 HD22 ASN A 74 -4.797 -27.741 -3.249 1.00 40.13 H new ATOM 1179 N LYS A 75 -3.552 -26.581 1.188 1.00 72.04 N ATOM 1180 CA LYS A 75 -2.891 -25.760 2.217 1.00 1.12 C ATOM 1181 C LYS A 75 -2.289 -24.507 1.563 1.00 40.24 C ATOM 1182 O LYS A 75 -1.241 -24.643 0.939 1.00 45.43 O ATOM 1183 CB LYS A 75 -1.776 -26.525 3.015 1.00 13.21 C ATOM 1184 CG LYS A 75 -2.115 -26.859 4.492 1.00 51.32 C ATOM 1185 CD LYS A 75 -3.039 -28.087 4.700 1.00 45.30 C ATOM 1186 CE LYS A 75 -4.133 -27.831 5.740 1.00 1.11 C ATOM 1187 NZ LYS A 75 -3.569 -27.334 7.025 1.00 74.32 N ATOM 0 H LYS A 75 -2.943 -27.221 0.678 1.00 72.04 H new ATOM 0 HA LYS A 75 -3.659 -25.491 2.942 1.00 1.12 H new ATOM 0 HB2 LYS A 75 -1.555 -27.456 2.493 1.00 13.21 H new ATOM 0 HB3 LYS A 75 -0.866 -25.926 2.997 1.00 13.21 H new ATOM 0 HG2 LYS A 75 -1.183 -27.031 5.031 1.00 51.32 H new ATOM 0 HG3 LYS A 75 -2.589 -25.988 4.944 1.00 51.32 H new ATOM 0 HD2 LYS A 75 -3.501 -28.354 3.750 1.00 45.30 H new ATOM 0 HD3 LYS A 75 -2.438 -28.941 5.013 1.00 45.30 H new ATOM 0 HE2 LYS A 75 -4.843 -27.102 5.349 1.00 1.11 H new ATOM 0 HE3 LYS A 75 -4.687 -28.752 5.919 1.00 1.11 H new ATOM 0 HZ1 LYS A 75 -4.256 -27.491 7.790 1.00 74.32 H new ATOM 0 HZ2 LYS A 75 -2.690 -27.846 7.239 1.00 74.32 H new ATOM 0 HZ3 LYS A 75 -3.367 -26.317 6.945 1.00 74.32 H new ATOM 1201 N LEU A 76 -2.903 -23.286 1.703 1.00 2.42 N ATOM 1202 CA LEU A 76 -2.299 -22.073 1.074 1.00 31.21 C ATOM 1203 C LEU A 76 -2.967 -20.756 1.570 1.00 40.32 C ATOM 1204 O LEU A 76 -3.601 -20.113 0.765 1.00 62.23 O ATOM 1205 CB LEU A 76 -2.392 -22.101 -0.501 1.00 71.24 C ATOM 1206 CG LEU A 76 -1.075 -22.358 -1.251 1.00 3.54 C ATOM 1207 CD1 LEU A 76 -1.337 -23.252 -2.447 1.00 64.33 C ATOM 1208 CD2 LEU A 76 -0.458 -21.045 -1.717 1.00 53.13 C ATOM 0 H LEU A 76 -3.769 -23.124 2.218 1.00 2.42 H new ATOM 0 HA LEU A 76 -1.252 -22.091 1.378 1.00 31.21 H new ATOM 0 HB2 LEU A 76 -3.107 -22.872 -0.789 1.00 71.24 H new ATOM 0 HB3 LEU A 76 -2.798 -21.147 -0.838 1.00 71.24 H new ATOM 0 HG LEU A 76 -0.377 -22.849 -0.573 1.00 3.54 H new ATOM 0 HD11 LEU A 76 -0.402 -23.433 -2.978 1.00 64.33 H new ATOM 0 HD12 LEU A 76 -1.752 -24.201 -2.108 1.00 64.33 H new ATOM 0 HD13 LEU A 76 -2.046 -22.765 -3.117 1.00 64.33 H new ATOM 0 HD21 LEU A 76 0.473 -21.248 -2.246 1.00 53.13 H new ATOM 0 HD22 LEU A 76 -1.151 -20.534 -2.386 1.00 53.13 H new ATOM 0 HD23 LEU A 76 -0.254 -20.412 -0.853 1.00 53.13 H new ATOM 1220 N ARG A 77 -2.806 -20.286 2.846 1.00 53.22 N ATOM 1221 CA ARG A 77 -3.615 -19.137 3.317 1.00 51.24 C ATOM 1222 C ARG A 77 -2.794 -17.819 3.143 1.00 12.40 C ATOM 1223 O ARG A 77 -1.843 -17.591 3.875 1.00 73.32 O ATOM 1224 CB ARG A 77 -4.017 -19.406 4.819 1.00 14.35 C ATOM 1225 CG ARG A 77 -4.343 -18.177 5.739 1.00 35.43 C ATOM 1226 CD ARG A 77 -5.570 -17.346 5.350 1.00 41.20 C ATOM 1227 NE ARG A 77 -5.633 -16.100 6.122 1.00 21.45 N ATOM 1228 CZ ARG A 77 -6.643 -15.231 6.042 1.00 21.42 C ATOM 1229 NH1 ARG A 77 -7.658 -15.447 5.201 1.00 72.11 N ATOM 1230 NH2 ARG A 77 -6.670 -14.152 6.818 1.00 61.41 N ATOM 0 H ARG A 77 -2.154 -20.669 3.531 1.00 53.22 H new ATOM 0 HA ARG A 77 -4.528 -19.023 2.733 1.00 51.24 H new ATOM 0 HB2 ARG A 77 -4.890 -20.059 4.817 1.00 14.35 H new ATOM 0 HB3 ARG A 77 -3.204 -19.962 5.285 1.00 14.35 H new ATOM 0 HG2 ARG A 77 -4.484 -18.539 6.757 1.00 35.43 H new ATOM 0 HG3 ARG A 77 -3.474 -17.519 5.752 1.00 35.43 H new ATOM 0 HD2 ARG A 77 -5.534 -17.116 4.285 1.00 41.20 H new ATOM 0 HD3 ARG A 77 -6.476 -17.928 5.520 1.00 41.20 H new ATOM 0 HE ARG A 77 -4.862 -15.886 6.755 1.00 21.45 H new ATOM 0 HH11 ARG A 77 -7.665 -16.281 4.614 1.00 72.11 H new ATOM 0 HH12 ARG A 77 -8.426 -14.778 5.146 1.00 72.11 H new ATOM 0 HH21 ARG A 77 -5.915 -13.982 7.482 1.00 61.41 H new ATOM 0 HH22 ARG A 77 -7.446 -13.494 6.749 1.00 61.41 H new ATOM 1244 N VAL A 78 -3.159 -16.935 2.183 1.00 20.12 N ATOM 1245 CA VAL A 78 -2.438 -15.681 1.994 1.00 10.01 C ATOM 1246 C VAL A 78 -3.466 -14.489 2.006 1.00 30.54 C ATOM 1247 O VAL A 78 -4.349 -14.464 1.148 1.00 42.55 O ATOM 1248 CB VAL A 78 -1.625 -15.733 0.630 1.00 5.23 C ATOM 1249 CG1 VAL A 78 -0.830 -14.470 0.451 1.00 60.02 C ATOM 1250 CG2 VAL A 78 -0.633 -16.912 0.582 1.00 61.42 C ATOM 0 H VAL A 78 -3.940 -17.076 1.542 1.00 20.12 H new ATOM 0 HA VAL A 78 -1.724 -15.529 2.804 1.00 10.01 H new ATOM 0 HB VAL A 78 -2.364 -15.854 -0.162 1.00 5.23 H new ATOM 0 HG11 VAL A 78 -0.277 -14.518 -0.487 1.00 60.02 H new ATOM 0 HG12 VAL A 78 -1.505 -13.615 0.431 1.00 60.02 H new ATOM 0 HG13 VAL A 78 -0.130 -14.360 1.279 1.00 60.02 H new ATOM 0 HG21 VAL A 78 -0.103 -16.903 -0.370 1.00 61.42 H new ATOM 0 HG22 VAL A 78 0.084 -16.818 1.398 1.00 61.42 H new ATOM 0 HG23 VAL A 78 -1.178 -17.850 0.685 1.00 61.42 H new ATOM 1260 N GLU A 79 -3.387 -13.503 2.965 1.00 61.13 N ATOM 1261 CA GLU A 79 -4.344 -12.378 2.977 1.00 4.34 C ATOM 1262 C GLU A 79 -3.660 -11.092 3.484 1.00 31.40 C ATOM 1263 O GLU A 79 -2.730 -11.135 4.346 1.00 40.44 O ATOM 1264 CB GLU A 79 -5.563 -12.686 3.875 1.00 64.11 C ATOM 1265 CG GLU A 79 -6.862 -11.951 3.494 1.00 64.13 C ATOM 1266 CD GLU A 79 -7.909 -12.033 4.574 1.00 53.11 C ATOM 1267 OE1 GLU A 79 -7.762 -11.324 5.584 1.00 62.42 O ATOM 1268 OE2 GLU A 79 -8.858 -12.835 4.437 1.00 3.14 O ATOM 0 H GLU A 79 -2.689 -13.478 3.708 1.00 61.13 H new ATOM 0 HA GLU A 79 -4.688 -12.234 1.953 1.00 4.34 H new ATOM 0 HB2 GLU A 79 -5.751 -13.759 3.849 1.00 64.11 H new ATOM 0 HB3 GLU A 79 -5.309 -12.432 4.904 1.00 64.11 H new ATOM 0 HG2 GLU A 79 -6.637 -10.904 3.289 1.00 64.13 H new ATOM 0 HG3 GLU A 79 -7.260 -12.377 2.573 1.00 64.13 H new ATOM 1275 N VAL A 80 -4.072 -9.957 2.909 1.00 3.14 N ATOM 1276 CA VAL A 80 -3.743 -8.661 3.463 1.00 22.32 C ATOM 1277 C VAL A 80 -4.801 -8.187 4.484 1.00 4.31 C ATOM 1278 O VAL A 80 -5.998 -8.139 4.198 1.00 45.31 O ATOM 1279 CB VAL A 80 -3.535 -7.607 2.337 1.00 14.31 C ATOM 1280 CG1 VAL A 80 -2.351 -8.020 1.489 1.00 33.34 C ATOM 1281 CG2 VAL A 80 -4.757 -7.429 1.436 1.00 3.04 C ATOM 0 H VAL A 80 -4.634 -9.921 2.059 1.00 3.14 H new ATOM 0 HA VAL A 80 -2.801 -8.768 4.002 1.00 22.32 H new ATOM 0 HB VAL A 80 -3.362 -6.649 2.827 1.00 14.31 H new ATOM 0 HG11 VAL A 80 -2.197 -7.287 0.697 1.00 33.34 H new ATOM 0 HG12 VAL A 80 -1.458 -8.073 2.112 1.00 33.34 H new ATOM 0 HG13 VAL A 80 -2.544 -8.997 1.047 1.00 33.34 H new ATOM 0 HG21 VAL A 80 -4.541 -6.680 0.674 1.00 3.04 H new ATOM 0 HG22 VAL A 80 -4.996 -8.378 0.955 1.00 3.04 H new ATOM 0 HG23 VAL A 80 -5.607 -7.102 2.036 1.00 3.04 H new ATOM 1291 N PRO A 81 -4.367 -7.865 5.722 1.00 43.25 N ATOM 1292 CA PRO A 81 -5.207 -7.170 6.711 1.00 3.15 C ATOM 1293 C PRO A 81 -5.167 -5.630 6.589 1.00 71.11 C ATOM 1294 O PRO A 81 -5.355 -4.921 7.583 1.00 61.32 O ATOM 1295 CB PRO A 81 -4.601 -7.625 8.042 1.00 2.12 C ATOM 1296 CG PRO A 81 -3.167 -7.919 7.755 1.00 34.31 C ATOM 1297 CD PRO A 81 -3.074 -8.282 6.295 1.00 12.01 C ATOM 0 HA PRO A 81 -6.262 -7.412 6.585 1.00 3.15 H new ATOM 0 HB2 PRO A 81 -4.697 -6.849 8.801 1.00 2.12 H new ATOM 0 HB3 PRO A 81 -5.113 -8.509 8.423 1.00 2.12 H new ATOM 0 HG2 PRO A 81 -2.544 -7.053 7.977 1.00 34.31 H new ATOM 0 HG3 PRO A 81 -2.809 -8.738 8.379 1.00 34.31 H new ATOM 0 HD2 PRO A 81 -2.243 -7.769 5.812 1.00 12.01 H new ATOM 0 HD3 PRO A 81 -2.909 -9.351 6.163 1.00 12.01 H new ATOM 1305 N PHE A 82 -4.954 -5.121 5.369 1.00 71.44 N ATOM 1306 CA PHE A 82 -4.931 -3.673 5.145 1.00 63.10 C ATOM 1307 C PHE A 82 -5.860 -3.243 3.991 1.00 15.11 C ATOM 1308 O PHE A 82 -6.354 -2.115 4.000 1.00 63.24 O ATOM 1309 CB PHE A 82 -3.486 -3.130 4.935 1.00 22.34 C ATOM 1310 CG PHE A 82 -2.633 -3.812 3.875 1.00 34.21 C ATOM 1311 CD1 PHE A 82 -2.910 -3.669 2.530 1.00 22.30 C ATOM 1312 CD2 PHE A 82 -1.527 -4.543 4.243 1.00 54.51 C ATOM 1313 CE1 PHE A 82 -2.117 -4.256 1.576 1.00 12.33 C ATOM 1314 CE2 PHE A 82 -0.719 -5.128 3.296 1.00 11.43 C ATOM 1315 CZ PHE A 82 -1.011 -4.981 1.960 1.00 12.43 C ATOM 0 H PHE A 82 -4.797 -5.683 4.533 1.00 71.44 H new ATOM 0 HA PHE A 82 -5.318 -3.222 6.058 1.00 63.10 H new ATOM 0 HB2 PHE A 82 -3.556 -2.072 4.682 1.00 22.34 H new ATOM 0 HB3 PHE A 82 -2.959 -3.196 5.887 1.00 22.34 H new ATOM 0 HD1 PHE A 82 -3.765 -3.085 2.223 1.00 22.30 H new ATOM 0 HD2 PHE A 82 -1.290 -4.659 5.290 1.00 54.51 H new ATOM 0 HE1 PHE A 82 -2.359 -4.150 0.529 1.00 12.33 H new ATOM 0 HE2 PHE A 82 0.144 -5.702 3.601 1.00 11.43 H new ATOM 0 HZ PHE A 82 -0.374 -5.433 1.214 1.00 12.43 H new ATOM 1325 N ASN A 83 -6.083 -4.171 3.027 1.00 72.22 N ATOM 1326 CA ASN A 83 -6.891 -3.935 1.795 1.00 71.01 C ATOM 1327 C ASN A 83 -6.368 -2.744 0.933 1.00 1.14 C ATOM 1328 O ASN A 83 -6.940 -1.647 0.996 1.00 41.10 O ATOM 1329 CB ASN A 83 -8.400 -3.732 2.120 1.00 65.12 C ATOM 1330 CG ASN A 83 -9.110 -5.010 2.553 1.00 3.41 C ATOM 1331 OD1 ASN A 83 -8.517 -5.911 3.149 1.00 73.42 O ATOM 1332 ND2 ASN A 83 -10.395 -5.094 2.246 1.00 51.51 N ATOM 0 H ASN A 83 -5.704 -5.117 3.080 1.00 72.22 H new ATOM 0 HA ASN A 83 -6.777 -4.842 1.201 1.00 71.01 H new ATOM 0 HB2 ASN A 83 -8.496 -2.988 2.911 1.00 65.12 H new ATOM 0 HB3 ASN A 83 -8.901 -3.328 1.240 1.00 65.12 H new ATOM 0 HD21 ASN A 83 -10.928 -5.925 2.504 1.00 51.51 H new ATOM 0 HD22 ASN A 83 -10.852 -4.328 1.752 1.00 51.51 H new