USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 442 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 11 THR OG1 : rot 31:sc= 0.203 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 145:sc= -0.944 USER MOD Single : A 17 ASN : amide:sc= -0.0145 K(o=-0.015,f=-1.6) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.79 K(o=-2.8,f=-7.8!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= -0.0693 (180deg=-0.0981) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0184) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= 0.0408 (180deg=0.029) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -50:sc= -0.717 USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.00702 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N THR A 11 3.285 2.873 1.678 1.00 0.00 N ATOM 109 CA THR A 11 3.197 2.436 0.290 1.00 0.00 C ATOM 110 C THR A 11 3.260 0.917 0.187 1.00 0.00 C ATOM 111 O THR A 11 2.328 0.279 -0.303 1.00 0.00 O ATOM 112 CB THR A 11 4.326 3.045 -0.563 1.00 0.00 C ATOM 113 OG1 THR A 11 4.397 4.458 -0.346 1.00 0.00 O ATOM 114 CG2 THR A 11 4.100 2.763 -2.041 1.00 0.00 C ATOM 0 HA THR A 11 2.237 2.783 -0.091 1.00 0.00 H new ATOM 0 HB THR A 11 5.267 2.585 -0.262 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.110 4.663 0.568 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.910 3.203 -2.623 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.077 1.686 -2.207 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.151 3.198 -2.353 1.00 0.00 H new ATOM 122 N ASP A 12 4.364 0.342 0.652 1.00 0.00 N ATOM 123 CA ASP A 12 4.548 -1.104 0.613 1.00 0.00 C ATOM 124 C ASP A 12 3.816 -1.775 1.772 1.00 0.00 C ATOM 125 O ASP A 12 3.104 -2.762 1.582 1.00 0.00 O ATOM 126 CB ASP A 12 6.036 -1.452 0.663 1.00 0.00 C ATOM 127 CG ASP A 12 6.814 -0.536 1.588 1.00 0.00 C ATOM 128 OD1 ASP A 12 6.806 -0.783 2.812 1.00 0.00 O ATOM 129 OD2 ASP A 12 7.431 0.428 1.088 1.00 0.00 O ATOM 0 H ASP A 12 5.145 0.855 1.060 1.00 0.00 H new ATOM 0 HA ASP A 12 4.128 -1.475 -0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.154 -2.484 0.994 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.455 -1.390 -0.341 1.00 0.00 H new ATOM 134 N LYS A 13 3.998 -1.235 2.972 1.00 0.00 N ATOM 135 CA LYS A 13 3.356 -1.781 4.162 1.00 0.00 C ATOM 136 C LYS A 13 1.909 -2.165 3.872 1.00 0.00 C ATOM 137 O LYS A 13 1.505 -3.307 4.088 1.00 0.00 O ATOM 138 CB LYS A 13 3.405 -0.764 5.305 1.00 0.00 C ATOM 139 CG LYS A 13 3.123 -1.368 6.669 1.00 0.00 C ATOM 140 CD LYS A 13 4.396 -1.867 7.333 1.00 0.00 C ATOM 141 CE LYS A 13 5.071 -0.767 8.139 1.00 0.00 C ATOM 142 NZ LYS A 13 6.380 -1.210 8.693 1.00 0.00 N ATOM 0 H LYS A 13 4.585 -0.419 3.146 1.00 0.00 H new ATOM 0 HA LYS A 13 3.899 -2.678 4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.389 -0.295 5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.679 0.025 5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.647 -0.623 7.306 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.419 -2.193 6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.162 -2.707 7.987 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.084 -2.237 6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.222 0.107 7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.416 -0.460 8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.808 -0.433 9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.233 -2.029 9.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.014 -1.478 7.913 1.00 0.00 H new ATOM 156 N ALA A 14 1.133 -1.205 3.379 1.00 0.00 N ATOM 157 CA ALA A 14 -0.268 -1.444 3.056 1.00 0.00 C ATOM 158 C ALA A 14 -0.426 -2.687 2.187 1.00 0.00 C ATOM 159 O ALA A 14 -1.196 -3.591 2.513 1.00 0.00 O ATOM 160 CB ALA A 14 -0.863 -0.230 2.358 1.00 0.00 C ATOM 0 H ALA A 14 1.452 -0.254 3.195 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.807 -1.613 3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.910 -0.422 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.792 0.638 3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.314 -0.034 1.437 1.00 0.00 H new ATOM 166 N LEU A 15 0.307 -2.726 1.079 1.00 0.00 N ATOM 167 CA LEU A 15 0.248 -3.858 0.162 1.00 0.00 C ATOM 168 C LEU A 15 0.556 -5.164 0.888 1.00 0.00 C ATOM 169 O LEU A 15 -0.189 -6.138 0.778 1.00 0.00 O ATOM 170 CB LEU A 15 1.232 -3.658 -0.992 1.00 0.00 C ATOM 171 CG LEU A 15 1.122 -2.332 -1.746 1.00 0.00 C ATOM 172 CD1 LEU A 15 2.298 -2.157 -2.693 1.00 0.00 C ATOM 173 CD2 LEU A 15 -0.194 -2.260 -2.507 1.00 0.00 C ATOM 0 H LEU A 15 0.949 -1.986 0.795 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.764 -3.916 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.245 -3.746 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.095 -4.471 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 15 1.144 -1.520 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.202 -1.208 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.228 -2.164 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.309 -2.974 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.256 -1.310 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.245 -3.080 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.025 -2.338 -1.806 1.00 0.00 H new ATOM 185 N TYR A 16 1.657 -5.176 1.630 1.00 0.00 N ATOM 186 CA TYR A 16 2.065 -6.362 2.374 1.00 0.00 C ATOM 187 C TYR A 16 0.852 -7.092 2.941 1.00 0.00 C ATOM 188 O TYR A 16 0.728 -8.309 2.809 1.00 0.00 O ATOM 189 CB TYR A 16 3.017 -5.976 3.507 1.00 0.00 C ATOM 190 CG TYR A 16 3.881 -7.121 3.988 1.00 0.00 C ATOM 191 CD1 TYR A 16 4.683 -7.830 3.103 1.00 0.00 C ATOM 192 CD2 TYR A 16 3.893 -7.493 5.327 1.00 0.00 C ATOM 193 CE1 TYR A 16 5.473 -8.877 3.538 1.00 0.00 C ATOM 194 CE2 TYR A 16 4.681 -8.537 5.770 1.00 0.00 C ATOM 195 CZ TYR A 16 5.469 -9.226 4.872 1.00 0.00 C ATOM 196 OH TYR A 16 6.254 -10.268 5.310 1.00 0.00 O ATOM 0 H TYR A 16 2.284 -4.378 1.733 1.00 0.00 H new ATOM 0 HA TYR A 16 2.582 -7.032 1.687 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.660 -5.163 3.169 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.435 -5.594 4.345 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.689 -7.559 2.058 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.276 -6.957 6.033 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.090 -9.419 2.837 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.680 -8.812 6.814 1.00 0.00 H new ATOM 0 HH TYR A 16 6.596 -10.066 6.206 1.00 0.00 H new ATOM 206 N ASN A 17 -0.043 -6.339 3.573 1.00 0.00 N ATOM 207 CA ASN A 17 -1.248 -6.914 4.161 1.00 0.00 C ATOM 208 C ASN A 17 -2.042 -7.695 3.119 1.00 0.00 C ATOM 209 O ASN A 17 -2.296 -8.889 3.284 1.00 0.00 O ATOM 210 CB ASN A 17 -2.121 -5.812 4.763 1.00 0.00 C ATOM 211 CG ASN A 17 -1.489 -5.176 5.986 1.00 0.00 C ATOM 212 OD1 ASN A 17 -0.332 -5.443 6.310 1.00 0.00 O ATOM 213 ND2 ASN A 17 -2.248 -4.330 6.673 1.00 0.00 N ATOM 0 H ASN A 17 0.043 -5.330 3.691 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.945 -7.601 4.951 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.302 -5.044 4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.091 -6.228 5.034 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.877 -3.872 7.506 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.202 -4.138 6.368 1.00 0.00 H new ATOM 220 N ARG A 18 -2.430 -7.014 2.045 1.00 0.00 N ATOM 221 CA ARG A 18 -3.196 -7.644 0.977 1.00 0.00 C ATOM 222 C ARG A 18 -2.549 -8.957 0.546 1.00 0.00 C ATOM 223 O ARG A 18 -3.207 -9.997 0.490 1.00 0.00 O ATOM 224 CB ARG A 18 -3.309 -6.701 -0.223 1.00 0.00 C ATOM 225 CG ARG A 18 -4.400 -5.653 -0.073 1.00 0.00 C ATOM 226 CD ARG A 18 -4.470 -4.744 -1.290 1.00 0.00 C ATOM 227 NE ARG A 18 -5.165 -3.493 -0.999 1.00 0.00 N ATOM 228 CZ ARG A 18 -4.648 -2.520 -0.258 1.00 0.00 C ATOM 229 NH1 ARG A 18 -3.436 -2.652 0.264 1.00 0.00 N ATOM 230 NH2 ARG A 18 -5.343 -1.411 -0.038 1.00 0.00 N ATOM 0 H ARG A 18 -2.226 -6.026 1.892 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.195 -7.858 1.358 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.353 -6.199 -0.371 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.503 -7.289 -1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.362 -6.145 0.071 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.212 -5.055 0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.460 -4.525 -1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.981 -5.263 -2.101 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.099 -3.359 -1.386 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.898 -3.503 0.097 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.041 -1.903 0.833 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.275 -1.306 -0.438 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.945 -0.664 0.531 1.00 0.00 H new ATOM 244 N LEU A 19 -1.257 -8.902 0.241 1.00 0.00 N ATOM 245 CA LEU A 19 -0.520 -10.087 -0.185 1.00 0.00 C ATOM 246 C LEU A 19 -0.673 -11.217 0.828 1.00 0.00 C ATOM 247 O LEU A 19 -1.117 -12.314 0.488 1.00 0.00 O ATOM 248 CB LEU A 19 0.960 -9.751 -0.373 1.00 0.00 C ATOM 249 CG LEU A 19 1.333 -9.078 -1.695 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.669 -8.363 -1.571 1.00 0.00 C ATOM 251 CD2 LEU A 19 1.376 -10.101 -2.821 1.00 0.00 C ATOM 0 H LEU A 19 -0.698 -8.050 0.281 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.934 -10.420 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.271 -9.099 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.536 -10.672 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 19 0.569 -8.338 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.918 -7.890 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.604 -7.602 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.444 -9.083 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.643 -9.604 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.119 -10.864 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.397 -10.568 -2.926 1.00 0.00 H new ATOM 263 N VAL A 20 -0.303 -10.941 2.074 1.00 0.00 N ATOM 264 CA VAL A 20 -0.401 -11.933 3.138 1.00 0.00 C ATOM 265 C VAL A 20 -1.507 -11.573 4.125 1.00 0.00 C ATOM 266 O VAL A 20 -1.261 -11.014 5.194 1.00 0.00 O ATOM 267 CB VAL A 20 0.929 -12.070 3.903 1.00 0.00 C ATOM 268 CG1 VAL A 20 0.875 -13.250 4.861 1.00 0.00 C ATOM 269 CG2 VAL A 20 2.089 -12.216 2.930 1.00 0.00 C ATOM 0 H VAL A 20 0.067 -10.038 2.372 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.637 -12.885 2.662 1.00 0.00 H new ATOM 0 HB VAL A 20 1.087 -11.164 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.823 -13.331 5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.069 -13.099 5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.694 -14.167 4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.021 -12.312 3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.940 -13.105 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.138 -11.336 2.288 1.00 0.00 H new ATOM 279 N PRO A 21 -2.755 -11.901 3.760 1.00 0.00 N ATOM 280 CA PRO A 21 -3.924 -11.623 4.600 1.00 0.00 C ATOM 281 C PRO A 21 -3.957 -12.491 5.853 1.00 0.00 C ATOM 282 O PRO A 21 -3.116 -13.373 6.033 1.00 0.00 O ATOM 283 CB PRO A 21 -5.105 -11.958 3.686 1.00 0.00 C ATOM 284 CG PRO A 21 -4.562 -12.946 2.711 1.00 0.00 C ATOM 285 CD PRO A 21 -3.121 -12.570 2.500 1.00 0.00 C ATOM 0 HA PRO A 21 -3.928 -10.596 4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.937 -12.377 4.252 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.479 -11.068 3.181 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.648 -13.962 3.096 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.115 -12.913 1.773 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.500 -13.446 2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.000 -11.907 1.643 1.00 0.00 H new ATOM 293 N LEU A 22 -4.933 -12.237 6.717 1.00 0.00 N ATOM 294 CA LEU A 22 -5.077 -12.996 7.955 1.00 0.00 C ATOM 295 C LEU A 22 -6.490 -13.552 8.092 1.00 0.00 C ATOM 296 O LEU A 22 -7.406 -12.851 8.524 1.00 0.00 O ATOM 297 CB LEU A 22 -4.745 -12.113 9.159 1.00 0.00 C ATOM 298 CG LEU A 22 -4.543 -12.840 10.489 1.00 0.00 C ATOM 299 CD1 LEU A 22 -3.722 -14.104 10.287 1.00 0.00 C ATOM 300 CD2 LEU A 22 -3.873 -11.923 11.502 1.00 0.00 C ATOM 0 H LEU A 22 -5.637 -11.511 6.584 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.379 -13.833 7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.838 -11.551 8.933 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.548 -11.386 9.283 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.521 -13.125 10.878 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.589 -14.608 11.244 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.241 -14.769 9.596 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.747 -13.843 9.875 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.737 -12.457 12.442 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.902 -11.607 11.121 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.499 -11.047 11.670 1.00 0.00 H new ATOM 312 N VAL A 23 -6.661 -14.818 7.723 1.00 0.00 N ATOM 313 CA VAL A 23 -7.962 -15.470 7.808 1.00 0.00 C ATOM 314 C VAL A 23 -7.896 -16.717 8.681 1.00 0.00 C ATOM 315 O VAL A 23 -8.868 -17.076 9.344 1.00 0.00 O ATOM 316 CB VAL A 23 -8.487 -15.860 6.413 1.00 0.00 C ATOM 317 CG1 VAL A 23 -8.871 -14.620 5.621 1.00 0.00 C ATOM 318 CG2 VAL A 23 -7.447 -16.680 5.664 1.00 0.00 C ATOM 0 H VAL A 23 -5.914 -15.412 7.362 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.647 -14.751 8.258 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.380 -16.473 6.538 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.239 -14.915 4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.652 -14.076 6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.998 -13.979 5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.834 -16.947 4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.536 -16.094 5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.226 -17.588 6.226 1.00 0.00 H new ATOM 328 N ASN A 24 -6.741 -17.375 8.677 1.00 0.00 N ATOM 329 CA ASN A 24 -6.547 -18.584 9.469 1.00 0.00 C ATOM 330 C ASN A 24 -5.950 -18.251 10.833 1.00 0.00 C ATOM 331 O ASN A 24 -5.512 -19.138 11.565 1.00 0.00 O ATOM 332 CB ASN A 24 -5.637 -19.565 8.727 1.00 0.00 C ATOM 333 CG ASN A 24 -6.332 -20.222 7.551 1.00 0.00 C ATOM 334 OD1 ASN A 24 -7.431 -20.761 7.687 1.00 0.00 O ATOM 335 ND2 ASN A 24 -5.693 -20.180 6.387 1.00 0.00 N ATOM 0 H ASN A 24 -5.925 -17.091 8.134 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.521 -19.048 9.622 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.751 -19.038 8.374 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.295 -20.334 9.420 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.112 -20.605 5.560 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.784 -19.723 6.321 1.00 0.00 H new ATOM 342 N GLY A 25 -5.935 -16.964 11.169 1.00 0.00 N ATOM 343 CA GLY A 25 -5.390 -16.536 12.443 1.00 0.00 C ATOM 344 C GLY A 25 -3.877 -16.612 12.482 1.00 0.00 C ATOM 345 O GLY A 25 -3.270 -16.523 13.549 1.00 0.00 O ATOM 0 H GLY A 25 -6.291 -16.211 10.581 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.704 -15.512 12.643 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.802 -17.157 13.238 1.00 0.00 H new ATOM 349 N VAL A 26 -3.264 -16.778 11.314 1.00 0.00 N ATOM 350 CA VAL A 26 -1.812 -16.867 11.217 1.00 0.00 C ATOM 351 C VAL A 26 -1.325 -16.433 9.840 1.00 0.00 C ATOM 352 O VAL A 26 -1.652 -17.057 8.830 1.00 0.00 O ATOM 353 CB VAL A 26 -1.317 -18.298 11.498 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.004 -19.291 10.572 1.00 0.00 C ATOM 355 CG2 VAL A 26 0.195 -18.377 11.351 1.00 0.00 C ATOM 0 H VAL A 26 -3.751 -16.854 10.421 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.403 -16.195 11.971 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.573 -18.558 12.525 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.642 -20.297 10.785 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.082 -19.252 10.731 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.781 -19.037 9.536 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.528 -19.395 11.553 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.477 -18.098 10.336 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.666 -17.694 12.059 1.00 0.00 H new ATOM 365 N ARG A 27 -0.541 -15.360 9.806 1.00 0.00 N ATOM 366 CA ARG A 27 -0.009 -14.842 8.551 1.00 0.00 C ATOM 367 C ARG A 27 1.117 -15.730 8.030 1.00 0.00 C ATOM 368 O ARG A 27 2.160 -15.865 8.670 1.00 0.00 O ATOM 369 CB ARG A 27 0.501 -13.412 8.741 1.00 0.00 C ATOM 370 CG ARG A 27 -0.609 -12.381 8.864 1.00 0.00 C ATOM 371 CD ARG A 27 -0.058 -10.964 8.851 1.00 0.00 C ATOM 372 NE ARG A 27 -1.109 -9.966 9.026 1.00 0.00 N ATOM 373 CZ ARG A 27 -0.870 -8.677 9.239 1.00 0.00 C ATOM 374 NH1 ARG A 27 0.377 -8.232 9.302 1.00 0.00 N ATOM 375 NH2 ARG A 27 -1.880 -7.829 9.389 1.00 0.00 N ATOM 0 H ARG A 27 -0.260 -14.833 10.633 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.815 -14.839 7.817 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.123 -13.373 9.636 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.139 -13.148 7.898 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.315 -12.505 8.043 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.162 -12.549 9.788 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.681 -10.855 9.645 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.459 -10.785 7.908 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.080 -10.276 8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.156 -8.880 9.187 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.557 -7.242 9.466 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.841 -8.167 9.341 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.695 -6.839 9.553 1.00 0.00 H new ATOM 389 N GLU A 28 0.898 -16.333 6.866 1.00 0.00 N ATOM 390 CA GLU A 28 1.895 -17.209 6.261 1.00 0.00 C ATOM 391 C GLU A 28 1.832 -17.134 4.738 1.00 0.00 C ATOM 392 O GLU A 28 0.754 -17.201 4.146 1.00 0.00 O ATOM 393 CB GLU A 28 1.683 -18.653 6.721 1.00 0.00 C ATOM 394 CG GLU A 28 2.132 -18.909 8.150 1.00 0.00 C ATOM 395 CD GLU A 28 2.111 -20.381 8.513 1.00 0.00 C ATOM 396 OE1 GLU A 28 1.342 -21.137 7.882 1.00 0.00 O ATOM 397 OE2 GLU A 28 2.864 -20.778 9.426 1.00 0.00 O ATOM 0 H GLU A 28 0.040 -16.231 6.323 1.00 0.00 H new ATOM 0 HA GLU A 28 2.881 -16.873 6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.626 -18.902 6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.226 -19.322 6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.141 -18.520 8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.484 -18.361 8.834 1.00 0.00 H new ATOM 404 N PHE A 29 2.995 -16.994 4.110 1.00 0.00 N ATOM 405 CA PHE A 29 3.073 -16.908 2.657 1.00 0.00 C ATOM 406 C PHE A 29 2.424 -18.125 2.004 1.00 0.00 C ATOM 407 O PHE A 29 1.955 -19.034 2.689 1.00 0.00 O ATOM 408 CB PHE A 29 4.532 -16.792 2.209 1.00 0.00 C ATOM 409 CG PHE A 29 5.151 -15.461 2.524 1.00 0.00 C ATOM 410 CD1 PHE A 29 4.509 -14.283 2.176 1.00 0.00 C ATOM 411 CD2 PHE A 29 6.376 -15.387 3.167 1.00 0.00 C ATOM 412 CE1 PHE A 29 5.077 -13.057 2.464 1.00 0.00 C ATOM 413 CE2 PHE A 29 6.948 -14.163 3.458 1.00 0.00 C ATOM 414 CZ PHE A 29 6.298 -12.996 3.105 1.00 0.00 C ATOM 0 H PHE A 29 3.896 -16.938 4.585 1.00 0.00 H new ATOM 0 HA PHE A 29 2.531 -16.016 2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.115 -17.578 2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.589 -16.965 1.134 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.554 -14.324 1.674 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.890 -16.296 3.444 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.566 -12.147 2.188 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.903 -14.119 3.961 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.744 -12.039 3.330 1.00 0.00 H new ATOM 424 N SER A 30 2.401 -18.135 0.675 1.00 0.00 N ATOM 425 CA SER A 30 1.806 -19.237 -0.071 1.00 0.00 C ATOM 426 C SER A 30 2.793 -19.799 -1.090 1.00 0.00 C ATOM 427 O SER A 30 3.768 -19.141 -1.453 1.00 0.00 O ATOM 428 CB SER A 30 0.533 -18.773 -0.780 1.00 0.00 C ATOM 429 OG SER A 30 -0.566 -18.740 0.114 1.00 0.00 O ATOM 0 H SER A 30 2.788 -17.392 0.093 1.00 0.00 H new ATOM 0 HA SER A 30 1.552 -20.026 0.637 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.690 -17.781 -1.204 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.310 -19.443 -1.610 1.00 0.00 H new ATOM 0 HG SER A 30 -1.367 -18.439 -0.363 1.00 0.00 H new ATOM 435 N GLU A 31 2.532 -21.020 -1.547 1.00 0.00 N ATOM 436 CA GLU A 31 3.398 -21.671 -2.523 1.00 0.00 C ATOM 437 C GLU A 31 3.663 -20.753 -3.713 1.00 0.00 C ATOM 438 O GLU A 31 4.632 -20.937 -4.449 1.00 0.00 O ATOM 439 CB GLU A 31 2.767 -22.979 -3.005 1.00 0.00 C ATOM 440 CG GLU A 31 1.455 -22.786 -3.746 1.00 0.00 C ATOM 441 CD GLU A 31 0.960 -24.062 -4.398 1.00 0.00 C ATOM 442 OE1 GLU A 31 1.715 -24.650 -5.200 1.00 0.00 O ATOM 443 OE2 GLU A 31 -0.183 -24.473 -4.106 1.00 0.00 O ATOM 0 H GLU A 31 1.729 -21.578 -1.257 1.00 0.00 H new ATOM 0 HA GLU A 31 4.349 -21.892 -2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.472 -23.493 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.597 -23.629 -2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.699 -22.421 -3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.583 -22.018 -4.509 1.00 0.00 H new ATOM 450 N ILE A 32 2.793 -19.764 -3.895 1.00 0.00 N ATOM 451 CA ILE A 32 2.933 -18.817 -4.994 1.00 0.00 C ATOM 452 C ILE A 32 3.923 -17.712 -4.645 1.00 0.00 C ATOM 453 O ILE A 32 4.899 -17.490 -5.362 1.00 0.00 O ATOM 454 CB ILE A 32 1.580 -18.181 -5.365 1.00 0.00 C ATOM 455 CG1 ILE A 32 0.535 -19.268 -5.623 1.00 0.00 C ATOM 456 CG2 ILE A 32 1.733 -17.286 -6.585 1.00 0.00 C ATOM 457 CD1 ILE A 32 -0.175 -19.733 -4.370 1.00 0.00 C ATOM 0 H ILE A 32 1.985 -19.598 -3.296 1.00 0.00 H new ATOM 0 HA ILE A 32 3.307 -19.380 -5.849 1.00 0.00 H new ATOM 0 HB ILE A 32 1.241 -17.569 -4.529 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.203 -18.890 -6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.020 -20.123 -6.094 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.769 -16.844 -6.835 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.450 -16.494 -6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.090 -17.878 -7.428 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.901 -20.504 -4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.553 -20.141 -3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.689 -18.890 -3.909 1.00 0.00 H new ATOM 469 N GLN A 33 3.665 -17.022 -3.539 1.00 0.00 N ATOM 470 CA GLN A 33 4.535 -15.939 -3.094 1.00 0.00 C ATOM 471 C GLN A 33 5.968 -16.430 -2.916 1.00 0.00 C ATOM 472 O GLN A 33 6.913 -15.810 -3.406 1.00 0.00 O ATOM 473 CB GLN A 33 4.019 -15.350 -1.780 1.00 0.00 C ATOM 474 CG GLN A 33 2.566 -14.909 -1.840 1.00 0.00 C ATOM 475 CD GLN A 33 2.015 -14.528 -0.480 1.00 0.00 C ATOM 476 OE1 GLN A 33 1.795 -15.385 0.376 1.00 0.00 O ATOM 477 NE2 GLN A 33 1.789 -13.236 -0.273 1.00 0.00 N ATOM 0 H GLN A 33 2.861 -17.193 -2.935 1.00 0.00 H new ATOM 0 HA GLN A 33 4.528 -15.163 -3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.132 -16.092 -0.990 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.638 -14.496 -1.506 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.476 -14.058 -2.515 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.963 -15.714 -2.260 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.986 -12.559 -1.010 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.419 -12.920 0.623 1.00 0.00 H new ATOM 486 N LEU A 34 6.123 -17.547 -2.214 1.00 0.00 N ATOM 487 CA LEU A 34 7.441 -18.122 -1.971 1.00 0.00 C ATOM 488 C LEU A 34 8.190 -18.339 -3.282 1.00 0.00 C ATOM 489 O LEU A 34 9.204 -17.692 -3.544 1.00 0.00 O ATOM 490 CB LEU A 34 7.311 -19.448 -1.220 1.00 0.00 C ATOM 491 CG LEU A 34 6.434 -19.426 0.033 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.788 -20.785 0.255 1.00 0.00 C ATOM 493 CD2 LEU A 34 7.252 -19.016 1.249 1.00 0.00 C ATOM 0 H LEU A 34 5.352 -18.073 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 34 8.009 -17.420 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.910 -20.194 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.309 -19.781 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 34 5.643 -18.690 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.168 -20.751 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.169 -21.039 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.564 -21.541 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.612 -19.006 2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.064 -19.728 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.667 -18.021 1.090 1.00 0.00 H new ATOM 505 N SER A 35 7.683 -19.252 -4.104 1.00 0.00 N ATOM 506 CA SER A 35 8.304 -19.556 -5.387 1.00 0.00 C ATOM 507 C SER A 35 8.836 -18.287 -6.047 1.00 0.00 C ATOM 508 O SER A 35 9.786 -18.332 -6.829 1.00 0.00 O ATOM 509 CB SER A 35 7.300 -20.244 -6.314 1.00 0.00 C ATOM 510 OG SER A 35 7.962 -20.931 -7.363 1.00 0.00 O ATOM 0 H SER A 35 6.843 -19.794 -3.904 1.00 0.00 H new ATOM 0 HA SER A 35 9.141 -20.230 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.693 -20.946 -5.742 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.620 -19.503 -6.733 1.00 0.00 H new ATOM 0 HG SER A 35 7.299 -21.363 -7.941 1.00 0.00 H new ATOM 516 N ARG A 36 8.216 -17.156 -5.726 1.00 0.00 N ATOM 517 CA ARG A 36 8.625 -15.875 -6.288 1.00 0.00 C ATOM 518 C ARG A 36 9.735 -15.244 -5.452 1.00 0.00 C ATOM 519 O ARG A 36 10.695 -14.692 -5.990 1.00 0.00 O ATOM 520 CB ARG A 36 7.429 -14.924 -6.367 1.00 0.00 C ATOM 521 CG ARG A 36 6.337 -15.397 -7.313 1.00 0.00 C ATOM 522 CD ARG A 36 5.245 -14.350 -7.471 1.00 0.00 C ATOM 523 NE ARG A 36 4.191 -14.504 -6.473 1.00 0.00 N ATOM 524 CZ ARG A 36 3.220 -13.616 -6.287 1.00 0.00 C ATOM 525 NH1 ARG A 36 3.171 -12.518 -7.027 1.00 0.00 N ATOM 526 NH2 ARG A 36 2.296 -13.827 -5.358 1.00 0.00 N ATOM 0 H ARG A 36 7.429 -17.101 -5.080 1.00 0.00 H new ATOM 0 HA ARG A 36 9.007 -16.053 -7.293 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.006 -14.802 -5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.777 -13.942 -6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.771 -15.622 -8.287 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.903 -16.323 -6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.682 -13.355 -7.386 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.813 -14.425 -8.469 1.00 0.00 H new ATOM 0 HE ARG A 36 4.200 -15.338 -5.887 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.880 -12.353 -7.742 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.425 -11.838 -6.882 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.331 -14.671 -4.786 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.551 -13.145 -5.216 1.00 0.00 H new ATOM 540 N LEU A 37 9.597 -15.330 -4.133 1.00 0.00 N ATOM 541 CA LEU A 37 10.587 -14.767 -3.222 1.00 0.00 C ATOM 542 C LEU A 37 11.952 -15.416 -3.433 1.00 0.00 C ATOM 543 O LEU A 37 12.974 -14.732 -3.488 1.00 0.00 O ATOM 544 CB LEU A 37 10.140 -14.956 -1.771 1.00 0.00 C ATOM 545 CG LEU A 37 9.177 -13.901 -1.223 1.00 0.00 C ATOM 546 CD1 LEU A 37 8.686 -14.295 0.161 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.848 -12.536 -1.185 1.00 0.00 C ATOM 0 H LEU A 37 8.809 -15.784 -3.671 1.00 0.00 H new ATOM 0 HA LEU A 37 10.674 -13.701 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.666 -15.933 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.027 -14.973 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 37 8.315 -13.842 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.002 -13.533 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.167 -15.252 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.536 -14.383 0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.149 -11.798 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.727 -12.581 -0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.149 -12.251 -2.193 1.00 0.00 H new ATOM 559 N LYS A 38 11.960 -16.739 -3.554 1.00 0.00 N ATOM 560 CA LYS A 38 13.197 -17.481 -3.764 1.00 0.00 C ATOM 561 C LYS A 38 14.048 -16.826 -4.848 1.00 0.00 C ATOM 562 O LYS A 38 15.229 -16.547 -4.641 1.00 0.00 O ATOM 563 CB LYS A 38 12.889 -18.929 -4.149 1.00 0.00 C ATOM 564 CG LYS A 38 12.357 -19.765 -2.997 1.00 0.00 C ATOM 565 CD LYS A 38 10.846 -19.653 -2.879 1.00 0.00 C ATOM 566 CE LYS A 38 10.240 -20.911 -2.276 1.00 0.00 C ATOM 567 NZ LYS A 38 10.603 -21.069 -0.841 1.00 0.00 N ATOM 0 H LYS A 38 11.123 -17.320 -3.510 1.00 0.00 H new ATOM 0 HA LYS A 38 13.759 -17.471 -2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.158 -18.933 -4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.796 -19.394 -4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 38 12.635 -20.809 -3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.821 -19.440 -2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.591 -18.792 -2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.415 -19.476 -3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.155 -20.874 -2.374 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.581 -21.782 -2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.090 -21.880 -0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.627 -21.231 -0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.346 -20.206 -0.321 1.00 0.00 H new ATOM 581 N LYS A 39 13.440 -16.582 -6.003 1.00 0.00 N ATOM 582 CA LYS A 39 14.139 -15.957 -7.120 1.00 0.00 C ATOM 583 C LYS A 39 14.990 -14.784 -6.641 1.00 0.00 C ATOM 584 O LYS A 39 16.142 -14.633 -7.049 1.00 0.00 O ATOM 585 CB LYS A 39 13.137 -15.477 -8.172 1.00 0.00 C ATOM 586 CG LYS A 39 12.746 -16.550 -9.174 1.00 0.00 C ATOM 587 CD LYS A 39 11.547 -17.350 -8.694 1.00 0.00 C ATOM 588 CE LYS A 39 11.146 -18.413 -9.705 1.00 0.00 C ATOM 589 NZ LYS A 39 12.139 -19.521 -9.769 1.00 0.00 N ATOM 0 H LYS A 39 12.463 -16.808 -6.191 1.00 0.00 H new ATOM 0 HA LYS A 39 14.797 -16.702 -7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.239 -15.117 -7.669 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.564 -14.629 -8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.515 -16.087 -10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.590 -17.220 -9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.782 -17.823 -7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.707 -16.678 -8.518 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.169 -18.816 -9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.046 -17.958 -10.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.781 -20.272 -10.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.039 -19.159 -10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.291 -19.906 -8.815 1.00 0.00 H new ATOM 603 N LEU A 40 14.416 -13.958 -5.773 1.00 0.00 N ATOM 604 CA LEU A 40 15.122 -12.800 -5.237 1.00 0.00 C ATOM 605 C LEU A 40 16.250 -13.233 -4.307 1.00 0.00 C ATOM 606 O LEU A 40 17.280 -12.566 -4.210 1.00 0.00 O ATOM 607 CB LEU A 40 14.150 -11.887 -4.489 1.00 0.00 C ATOM 608 CG LEU A 40 13.152 -11.116 -5.353 1.00 0.00 C ATOM 609 CD1 LEU A 40 12.071 -10.487 -4.488 1.00 0.00 C ATOM 610 CD2 LEU A 40 13.866 -10.053 -6.175 1.00 0.00 C ATOM 0 H LEU A 40 13.463 -14.069 -5.426 1.00 0.00 H new ATOM 0 HA LEU A 40 15.556 -12.251 -6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.591 -12.492 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.730 -11.168 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 40 12.677 -11.818 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.370 -9.942 -5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.539 -11.268 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.528 -9.799 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 40 13.139 -9.515 -6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.369 -9.354 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.602 -10.528 -6.824 1.00 0.00 H new ATOM 622 N GLY A 41 16.050 -14.356 -3.624 1.00 0.00 N ATOM 623 CA GLY A 41 17.060 -14.860 -2.712 1.00 0.00 C ATOM 624 C GLY A 41 16.670 -14.679 -1.258 1.00 0.00 C ATOM 625 O GLY A 41 17.523 -14.714 -0.371 1.00 0.00 O ATOM 0 H GLY A 41 15.206 -14.926 -3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.229 -15.918 -2.911 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.003 -14.346 -2.899 1.00 0.00 H new ATOM 629 N ILE A 42 15.379 -14.482 -1.014 1.00 0.00 N ATOM 630 CA ILE A 42 14.879 -14.294 0.343 1.00 0.00 C ATOM 631 C ILE A 42 14.391 -15.611 0.937 1.00 0.00 C ATOM 632 O ILE A 42 13.224 -15.975 0.792 1.00 0.00 O ATOM 633 CB ILE A 42 13.729 -13.270 0.382 1.00 0.00 C ATOM 634 CG1 ILE A 42 14.171 -11.950 -0.255 1.00 0.00 C ATOM 635 CG2 ILE A 42 13.269 -13.044 1.814 1.00 0.00 C ATOM 636 CD1 ILE A 42 13.026 -11.004 -0.541 1.00 0.00 C ATOM 0 H ILE A 42 14.661 -14.448 -1.737 1.00 0.00 H new ATOM 0 HA ILE A 42 15.712 -13.917 0.936 1.00 0.00 H new ATOM 0 HB ILE A 42 12.890 -13.666 -0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 42 14.882 -11.457 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 42 14.697 -12.163 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 42 12.456 -12.318 1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 42 12.920 -13.986 2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.101 -12.666 2.408 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.413 -10.090 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 42 12.325 -11.478 -1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 42 12.514 -10.761 0.390 1.00 0.00 H new ATOM 648 N HIS A 43 15.293 -16.321 1.607 1.00 0.00 N ATOM 649 CA HIS A 43 14.954 -17.598 2.226 1.00 0.00 C ATOM 650 C HIS A 43 14.167 -17.384 3.516 1.00 0.00 C ATOM 651 O HIS A 43 14.634 -17.720 4.604 1.00 0.00 O ATOM 652 CB HIS A 43 16.223 -18.400 2.516 1.00 0.00 C ATOM 653 CG HIS A 43 16.646 -19.282 1.382 1.00 0.00 C ATOM 654 ND1 HIS A 43 16.892 -18.808 0.111 1.00 0.00 N ATOM 655 CD2 HIS A 43 16.870 -20.616 1.334 1.00 0.00 C ATOM 656 CE1 HIS A 43 17.246 -19.812 -0.671 1.00 0.00 C ATOM 657 NE2 HIS A 43 17.241 -20.921 0.047 1.00 0.00 N ATOM 0 H HIS A 43 16.263 -16.034 1.735 1.00 0.00 H new ATOM 0 HA HIS A 43 14.330 -18.158 1.529 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.033 -17.710 2.751 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.061 -19.014 3.402 1.00 0.00 H new ATOM 0 HD2 HIS A 43 16.775 -21.311 2.155 1.00 0.00 H new ATOM 0 HE1 HIS A 43 17.497 -19.739 -1.719 1.00 0.00 H new ATOM 0 HE2 HIS A 43 17.475 -21.852 -0.298 1.00 0.00 H new ATOM 666 N LYS A 44 12.969 -16.823 3.386 1.00 0.00 N ATOM 667 CA LYS A 44 12.116 -16.565 4.539 1.00 0.00 C ATOM 668 C LYS A 44 10.719 -17.137 4.321 1.00 0.00 C ATOM 669 O LYS A 44 10.216 -17.164 3.198 1.00 0.00 O ATOM 670 CB LYS A 44 12.027 -15.061 4.807 1.00 0.00 C ATOM 671 CG LYS A 44 13.200 -14.514 5.602 1.00 0.00 C ATOM 672 CD LYS A 44 13.354 -13.015 5.409 1.00 0.00 C ATOM 673 CE LYS A 44 14.801 -12.578 5.572 1.00 0.00 C ATOM 674 NZ LYS A 44 15.166 -12.389 7.003 1.00 0.00 N ATOM 0 H LYS A 44 12.567 -16.538 2.493 1.00 0.00 H new ATOM 0 HA LYS A 44 12.560 -17.056 5.405 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.967 -14.534 3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.104 -14.851 5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.057 -14.733 6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.116 -15.017 5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.998 -12.736 4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.730 -12.488 6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.458 -13.324 5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.962 -11.646 5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.083 -11.902 7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.437 -11.817 7.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.234 -13.316 7.469 1.00 0.00 H new ATOM 688 N THR A 45 10.095 -17.592 5.404 1.00 0.00 N ATOM 689 CA THR A 45 8.756 -18.163 5.331 1.00 0.00 C ATOM 690 C THR A 45 7.742 -17.281 6.050 1.00 0.00 C ATOM 691 O THR A 45 6.670 -16.991 5.520 1.00 0.00 O ATOM 692 CB THR A 45 8.714 -19.577 5.941 1.00 0.00 C ATOM 693 OG1 THR A 45 9.581 -20.452 5.210 1.00 0.00 O ATOM 694 CG2 THR A 45 7.297 -20.131 5.927 1.00 0.00 C ATOM 0 H THR A 45 10.496 -17.576 6.342 1.00 0.00 H new ATOM 0 HA THR A 45 8.496 -18.224 4.274 1.00 0.00 H new ATOM 0 HB THR A 45 9.052 -19.512 6.975 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.550 -21.348 5.605 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.293 -21.130 6.363 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.646 -19.479 6.509 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.936 -20.182 4.900 1.00 0.00 H new ATOM 702 N ASP A 46 8.088 -16.857 7.261 1.00 0.00 N ATOM 703 CA ASP A 46 7.209 -16.006 8.053 1.00 0.00 C ATOM 704 C ASP A 46 7.393 -14.538 7.681 1.00 0.00 C ATOM 705 O ASP A 46 8.499 -14.079 7.392 1.00 0.00 O ATOM 706 CB ASP A 46 7.479 -16.204 9.545 1.00 0.00 C ATOM 707 CG ASP A 46 6.624 -17.302 10.148 1.00 0.00 C ATOM 708 OD1 ASP A 46 5.383 -17.176 10.106 1.00 0.00 O ATOM 709 OD2 ASP A 46 7.196 -18.285 10.662 1.00 0.00 O ATOM 0 H ASP A 46 8.971 -17.089 7.715 1.00 0.00 H new ATOM 0 HA ASP A 46 6.179 -16.291 7.837 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.532 -16.445 9.692 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.290 -15.269 10.073 1.00 0.00 H new ATOM 714 N PRO A 47 6.286 -13.782 7.687 1.00 0.00 N ATOM 715 CA PRO A 47 6.299 -12.355 7.351 1.00 0.00 C ATOM 716 C PRO A 47 6.995 -11.515 8.417 1.00 0.00 C ATOM 717 O PRO A 47 7.229 -10.322 8.227 1.00 0.00 O ATOM 718 CB PRO A 47 4.814 -11.994 7.273 1.00 0.00 C ATOM 719 CG PRO A 47 4.135 -12.994 8.144 1.00 0.00 C ATOM 720 CD PRO A 47 4.934 -14.261 8.021 1.00 0.00 C ATOM 0 HA PRO A 47 6.848 -12.159 6.430 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.635 -10.977 7.623 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.447 -12.047 6.248 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.102 -12.652 9.178 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.104 -13.151 7.828 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.928 -14.831 8.950 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.536 -14.913 7.244 1.00 0.00 H new ATOM 728 N SER A 48 7.325 -12.147 9.539 1.00 0.00 N ATOM 729 CA SER A 48 7.992 -11.458 10.638 1.00 0.00 C ATOM 730 C SER A 48 9.460 -11.204 10.309 1.00 0.00 C ATOM 731 O SER A 48 9.946 -10.077 10.409 1.00 0.00 O ATOM 732 CB SER A 48 7.880 -12.276 11.925 1.00 0.00 C ATOM 733 OG SER A 48 6.584 -12.169 12.487 1.00 0.00 O ATOM 0 H SER A 48 7.141 -13.135 9.711 1.00 0.00 H new ATOM 0 HA SER A 48 7.499 -10.497 10.784 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.103 -13.322 11.715 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.622 -11.930 12.645 1.00 0.00 H new ATOM 0 HG SER A 48 6.538 -12.702 13.308 1.00 0.00 H new ATOM 739 N THR A 49 10.163 -12.262 9.914 1.00 0.00 N ATOM 740 CA THR A 49 11.575 -12.156 9.571 1.00 0.00 C ATOM 741 C THR A 49 11.797 -11.131 8.465 1.00 0.00 C ATOM 742 O THR A 49 12.837 -10.473 8.414 1.00 0.00 O ATOM 743 CB THR A 49 12.147 -13.513 9.120 1.00 0.00 C ATOM 744 OG1 THR A 49 11.390 -14.021 8.016 1.00 0.00 O ATOM 745 CG2 THR A 49 12.122 -14.518 10.263 1.00 0.00 C ATOM 0 H THR A 49 9.777 -13.202 9.824 1.00 0.00 H new ATOM 0 HA THR A 49 12.095 -11.832 10.472 1.00 0.00 H new ATOM 0 HB THR A 49 13.182 -13.362 8.812 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.434 -13.985 8.231 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.531 -15.469 9.921 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.723 -14.142 11.091 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.095 -14.664 10.597 1.00 0.00 H new ATOM 753 N LEU A 50 10.814 -10.999 7.581 1.00 0.00 N ATOM 754 CA LEU A 50 10.902 -10.053 6.475 1.00 0.00 C ATOM 755 C LEU A 50 11.188 -8.644 6.985 1.00 0.00 C ATOM 756 O LEU A 50 10.748 -8.263 8.071 1.00 0.00 O ATOM 757 CB LEU A 50 9.603 -10.061 5.667 1.00 0.00 C ATOM 758 CG LEU A 50 9.531 -11.072 4.522 1.00 0.00 C ATOM 759 CD1 LEU A 50 10.445 -10.653 3.381 1.00 0.00 C ATOM 760 CD2 LEU A 50 9.896 -12.464 5.017 1.00 0.00 C ATOM 0 H LEU A 50 9.947 -11.535 7.609 1.00 0.00 H new ATOM 0 HA LEU A 50 11.726 -10.361 5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.775 -10.255 6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.449 -9.064 5.255 1.00 0.00 H new ATOM 0 HG LEU A 50 8.507 -11.097 4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.380 -11.385 2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.138 -9.676 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.473 -10.598 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.840 -13.171 4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.910 -12.454 5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.200 -12.766 5.800 1.00 0.00 H new ATOM 772 N THR A 51 11.926 -7.871 6.193 1.00 0.00 N ATOM 773 CA THR A 51 12.269 -6.504 6.564 1.00 0.00 C ATOM 774 C THR A 51 11.821 -5.516 5.494 1.00 0.00 C ATOM 775 O THR A 51 11.717 -5.864 4.318 1.00 0.00 O ATOM 776 CB THR A 51 13.785 -6.348 6.788 1.00 0.00 C ATOM 777 OG1 THR A 51 14.084 -5.006 7.191 1.00 0.00 O ATOM 778 CG2 THR A 51 14.558 -6.687 5.522 1.00 0.00 C ATOM 0 H THR A 51 12.297 -8.169 5.291 1.00 0.00 H new ATOM 0 HA THR A 51 11.747 -6.288 7.496 1.00 0.00 H new ATOM 0 HB THR A 51 14.087 -7.040 7.574 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.049 -4.915 7.333 1.00 0.00 H new ATOM 0 HG21 THR A 51 15.626 -6.569 5.705 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.351 -7.718 5.234 1.00 0.00 H new ATOM 0 HG23 THR A 51 14.252 -6.017 4.718 1.00 0.00 H new ATOM 786 N GLU A 52 11.556 -4.281 5.910 1.00 0.00 N ATOM 787 CA GLU A 52 11.118 -3.242 4.985 1.00 0.00 C ATOM 788 C GLU A 52 11.781 -3.412 3.621 1.00 0.00 C ATOM 789 O GLU A 52 11.133 -3.281 2.584 1.00 0.00 O ATOM 790 CB GLU A 52 11.437 -1.857 5.551 1.00 0.00 C ATOM 791 CG GLU A 52 10.531 -1.444 6.699 1.00 0.00 C ATOM 792 CD GLU A 52 10.686 0.018 7.068 1.00 0.00 C ATOM 793 OE1 GLU A 52 11.819 0.432 7.393 1.00 0.00 O ATOM 794 OE2 GLU A 52 9.675 0.750 7.031 1.00 0.00 O ATOM 0 H GLU A 52 11.637 -3.976 6.880 1.00 0.00 H new ATOM 0 HA GLU A 52 10.039 -3.335 4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.472 -1.843 5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.356 -1.120 4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.494 -1.638 6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.752 -2.060 7.571 1.00 0.00 H new ATOM 801 N GLU A 53 13.078 -3.704 3.633 1.00 0.00 N ATOM 802 CA GLU A 53 13.830 -3.890 2.398 1.00 0.00 C ATOM 803 C GLU A 53 13.246 -5.034 1.573 1.00 0.00 C ATOM 804 O GLU A 53 13.049 -4.903 0.365 1.00 0.00 O ATOM 805 CB GLU A 53 15.302 -4.170 2.707 1.00 0.00 C ATOM 806 CG GLU A 53 16.145 -4.433 1.471 1.00 0.00 C ATOM 807 CD GLU A 53 17.588 -4.754 1.806 1.00 0.00 C ATOM 808 OE1 GLU A 53 17.817 -5.589 2.706 1.00 0.00 O ATOM 809 OE2 GLU A 53 18.489 -4.170 1.168 1.00 0.00 O ATOM 0 H GLU A 53 13.629 -3.817 4.484 1.00 0.00 H new ATOM 0 HA GLU A 53 13.757 -2.971 1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.719 -3.320 3.247 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.367 -5.032 3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 53 15.713 -5.262 0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.113 -3.558 0.821 1.00 0.00 H new ATOM 816 N GLU A 54 12.972 -6.154 2.235 1.00 0.00 N ATOM 817 CA GLU A 54 12.413 -7.320 1.563 1.00 0.00 C ATOM 818 C GLU A 54 10.954 -7.081 1.182 1.00 0.00 C ATOM 819 O GLU A 54 10.525 -7.421 0.080 1.00 0.00 O ATOM 820 CB GLU A 54 12.521 -8.555 2.460 1.00 0.00 C ATOM 821 CG GLU A 54 13.933 -8.826 2.953 1.00 0.00 C ATOM 822 CD GLU A 54 14.804 -9.480 1.897 1.00 0.00 C ATOM 823 OE1 GLU A 54 14.755 -9.038 0.730 1.00 0.00 O ATOM 824 OE2 GLU A 54 15.535 -10.433 2.239 1.00 0.00 O ATOM 0 H GLU A 54 13.128 -6.278 3.235 1.00 0.00 H new ATOM 0 HA GLU A 54 12.986 -7.491 0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 54 11.863 -8.428 3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.163 -9.426 1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.391 -7.888 3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 54 13.890 -9.469 3.832 1.00 0.00 H new ATOM 831 N VAL A 55 10.197 -6.494 2.104 1.00 0.00 N ATOM 832 CA VAL A 55 8.787 -6.209 1.866 1.00 0.00 C ATOM 833 C VAL A 55 8.601 -5.371 0.607 1.00 0.00 C ATOM 834 O VAL A 55 7.870 -5.757 -0.306 1.00 0.00 O ATOM 835 CB VAL A 55 8.155 -5.469 3.060 1.00 0.00 C ATOM 836 CG1 VAL A 55 6.702 -5.127 2.768 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.271 -6.305 4.326 1.00 0.00 C ATOM 0 H VAL A 55 10.536 -6.207 3.022 1.00 0.00 H new ATOM 0 HA VAL A 55 8.287 -7.169 1.737 1.00 0.00 H new ATOM 0 HB VAL A 55 8.698 -4.537 3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.272 -4.605 3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.649 -4.487 1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.142 -6.044 2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.820 -5.767 5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.754 -7.254 4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.323 -6.493 4.543 1.00 0.00 H new ATOM 847 N ARG A 56 9.267 -4.221 0.563 1.00 0.00 N ATOM 848 CA ARG A 56 9.174 -3.327 -0.584 1.00 0.00 C ATOM 849 C ARG A 56 9.545 -4.056 -1.873 1.00 0.00 C ATOM 850 O ARG A 56 8.991 -3.780 -2.937 1.00 0.00 O ATOM 851 CB ARG A 56 10.088 -2.116 -0.390 1.00 0.00 C ATOM 852 CG ARG A 56 11.566 -2.440 -0.529 1.00 0.00 C ATOM 853 CD ARG A 56 12.413 -1.177 -0.562 1.00 0.00 C ATOM 854 NE ARG A 56 12.624 -0.625 0.773 1.00 0.00 N ATOM 855 CZ ARG A 56 13.615 0.206 1.076 1.00 0.00 C ATOM 856 NH1 ARG A 56 14.481 0.579 0.144 1.00 0.00 N ATOM 857 NH2 ARG A 56 13.742 0.666 2.315 1.00 0.00 N ATOM 0 H ARG A 56 9.877 -3.887 1.309 1.00 0.00 H new ATOM 0 HA ARG A 56 8.142 -2.985 -0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.822 -1.351 -1.119 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.909 -1.691 0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.881 -3.069 0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.730 -3.013 -1.442 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.377 -1.399 -1.019 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.927 -0.431 -1.190 1.00 0.00 H new ATOM 0 HE ARG A 56 11.975 -0.892 1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.387 0.228 -0.809 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.241 1.217 0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.078 0.381 3.035 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.503 1.304 2.547 1.00 0.00 H new ATOM 871 N LYS A 57 10.486 -4.988 -1.769 1.00 0.00 N ATOM 872 CA LYS A 57 10.932 -5.758 -2.924 1.00 0.00 C ATOM 873 C LYS A 57 9.853 -6.738 -3.374 1.00 0.00 C ATOM 874 O LYS A 57 9.481 -6.771 -4.547 1.00 0.00 O ATOM 875 CB LYS A 57 12.219 -6.518 -2.591 1.00 0.00 C ATOM 876 CG LYS A 57 13.484 -5.733 -2.892 1.00 0.00 C ATOM 877 CD LYS A 57 14.640 -6.653 -3.244 1.00 0.00 C ATOM 878 CE LYS A 57 15.982 -5.977 -3.007 1.00 0.00 C ATOM 879 NZ LYS A 57 17.069 -6.604 -3.809 1.00 0.00 N ATOM 0 H LYS A 57 10.955 -5.229 -0.896 1.00 0.00 H new ATOM 0 HA LYS A 57 11.129 -5.062 -3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.210 -6.785 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.237 -7.450 -3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.299 -5.047 -3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.751 -5.126 -2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.578 -7.562 -2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.562 -6.954 -4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.906 -4.920 -3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.234 -6.032 -1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.967 -6.115 -3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 17.159 -7.607 -3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.841 -6.529 -4.821 1.00 0.00 H new ATOM 893 N PHE A 58 9.353 -7.534 -2.434 1.00 0.00 N ATOM 894 CA PHE A 58 8.316 -8.514 -2.735 1.00 0.00 C ATOM 895 C PHE A 58 7.091 -7.839 -3.344 1.00 0.00 C ATOM 896 O PHE A 58 6.368 -8.441 -4.138 1.00 0.00 O ATOM 897 CB PHE A 58 7.918 -9.271 -1.466 1.00 0.00 C ATOM 898 CG PHE A 58 6.731 -10.172 -1.654 1.00 0.00 C ATOM 899 CD1 PHE A 58 6.696 -11.087 -2.693 1.00 0.00 C ATOM 900 CD2 PHE A 58 5.649 -10.103 -0.791 1.00 0.00 C ATOM 901 CE1 PHE A 58 5.606 -11.918 -2.869 1.00 0.00 C ATOM 902 CE2 PHE A 58 4.556 -10.931 -0.961 1.00 0.00 C ATOM 903 CZ PHE A 58 4.533 -11.839 -2.002 1.00 0.00 C ATOM 0 H PHE A 58 9.649 -7.519 -1.458 1.00 0.00 H new ATOM 0 HA PHE A 58 8.717 -9.221 -3.461 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.766 -9.866 -1.126 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.697 -8.552 -0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.531 -11.152 -3.374 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.660 -9.394 0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.593 -12.628 -3.683 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.720 -10.868 -0.280 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.679 -12.485 -2.138 1.00 0.00 H new ATOM 913 N ALA A 59 6.863 -6.586 -2.966 1.00 0.00 N ATOM 914 CA ALA A 59 5.727 -5.829 -3.475 1.00 0.00 C ATOM 915 C ALA A 59 6.038 -5.224 -4.840 1.00 0.00 C ATOM 916 O ALA A 59 5.201 -5.242 -5.743 1.00 0.00 O ATOM 917 CB ALA A 59 5.334 -4.738 -2.490 1.00 0.00 C ATOM 0 H ALA A 59 7.451 -6.073 -2.308 1.00 0.00 H new ATOM 0 HA ALA A 59 4.889 -6.516 -3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.484 -4.181 -2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.061 -5.190 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.175 -4.060 -2.343 1.00 0.00 H new ATOM 923 N ARG A 60 7.245 -4.688 -4.984 1.00 0.00 N ATOM 924 CA ARG A 60 7.665 -4.075 -6.238 1.00 0.00 C ATOM 925 C ARG A 60 7.383 -5.003 -7.417 1.00 0.00 C ATOM 926 O ARG A 60 6.687 -4.629 -8.362 1.00 0.00 O ATOM 927 CB ARG A 60 9.156 -3.734 -6.190 1.00 0.00 C ATOM 928 CG ARG A 60 9.448 -2.364 -5.599 1.00 0.00 C ATOM 929 CD ARG A 60 10.928 -2.193 -5.295 1.00 0.00 C ATOM 930 NE ARG A 60 11.682 -1.765 -6.471 1.00 0.00 N ATOM 931 CZ ARG A 60 11.615 -0.541 -6.981 1.00 0.00 C ATOM 932 NH1 ARG A 60 10.832 0.372 -6.422 1.00 0.00 N ATOM 933 NH2 ARG A 60 12.332 -0.227 -8.053 1.00 0.00 N ATOM 0 H ARG A 60 7.950 -4.666 -4.247 1.00 0.00 H new ATOM 0 HA ARG A 60 7.093 -3.157 -6.374 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.675 -4.492 -5.603 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.563 -3.779 -7.200 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.127 -1.590 -6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.870 -2.230 -4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.052 -1.460 -4.498 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.334 -3.135 -4.927 1.00 0.00 H new ATOM 0 HE ARG A 60 12.293 -2.444 -6.925 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.279 0.135 -5.598 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.782 1.312 -6.816 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.935 -0.926 -8.486 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.280 0.714 -8.444 1.00 0.00 H new ATOM 947 N LEU A 61 7.927 -6.213 -7.355 1.00 0.00 N ATOM 948 CA LEU A 61 7.735 -7.194 -8.417 1.00 0.00 C ATOM 949 C LEU A 61 6.256 -7.339 -8.763 1.00 0.00 C ATOM 950 O LEU A 61 5.903 -7.667 -9.894 1.00 0.00 O ATOM 951 CB LEU A 61 8.307 -8.549 -7.997 1.00 0.00 C ATOM 952 CG LEU A 61 7.377 -9.445 -7.179 1.00 0.00 C ATOM 953 CD1 LEU A 61 6.478 -10.260 -8.096 1.00 0.00 C ATOM 954 CD2 LEU A 61 8.183 -10.361 -6.269 1.00 0.00 C ATOM 0 H LEU A 61 8.505 -6.539 -6.580 1.00 0.00 H new ATOM 0 HA LEU A 61 8.264 -6.842 -9.303 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.603 -9.090 -8.896 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.213 -8.374 -7.417 1.00 0.00 H new ATOM 0 HG LEU A 61 6.747 -8.810 -6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.823 -10.892 -7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.875 -9.587 -8.706 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.091 -10.886 -8.745 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.505 -10.992 -5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.838 -10.989 -6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.784 -9.759 -5.587 1.00 0.00 H new