USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 667 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 70 ASN : amide:sc= -0.0654 K(o=0.068,f=-2.9) USER MOD Set 1.2: A 82 TYR OH : rot 173:sc= 0.134 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 43:sc= 0.0366 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 33 SER OG : rot 10:sc= 0.641 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0841 USER MOD Single : A 55 SER OG : rot 61:sc= 0.141 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -80:sc= 0.665 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0838 USER MOD Single : A 73 GLN : amide:sc= -2.69 K(o=-2.7,f=-3.4) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.761 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc=-0.00119 X(o=-0.0012,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 114 N ALA A 9 -2.656 6.612 -14.489 1.00 50.20 N ATOM 115 CA ALA A 9 -2.794 8.036 -14.207 1.00 22.41 C ATOM 116 C ALA A 9 -4.027 8.614 -14.893 1.00 2.34 C ATOM 117 O ALA A 9 -4.835 9.298 -14.264 1.00 2.10 O ATOM 118 CB ALA A 9 -1.544 8.784 -14.645 1.00 63.12 C ATOM 0 HA ALA A 9 -2.918 8.158 -13.131 1.00 22.41 H new ATOM 0 HB1 ALA A 9 -1.661 9.846 -14.429 1.00 63.12 H new ATOM 0 HB2 ALA A 9 -0.680 8.396 -14.105 1.00 63.12 H new ATOM 0 HB3 ALA A 9 -1.394 8.646 -15.716 1.00 63.12 H new ATOM 124 N ARG A 10 -4.165 8.336 -16.185 1.00 4.41 N ATOM 125 CA ARG A 10 -5.298 8.831 -16.956 1.00 55.52 C ATOM 126 C ARG A 10 -6.234 7.689 -17.342 1.00 2.21 C ATOM 127 O ARG A 10 -7.443 7.879 -17.467 1.00 55.50 O ATOM 128 CB ARG A 10 -4.811 9.553 -18.214 1.00 70.42 C ATOM 129 CG ARG A 10 -5.923 10.234 -18.995 1.00 2.21 C ATOM 130 CD ARG A 10 -5.553 10.400 -20.461 1.00 35.03 C ATOM 131 NE ARG A 10 -6.304 11.480 -21.096 1.00 32.14 N ATOM 132 CZ ARG A 10 -6.099 11.882 -22.345 1.00 32.30 C ATOM 133 NH1 ARG A 10 -5.172 11.296 -23.090 1.00 22.24 N ATOM 134 NH2 ARG A 10 -6.823 12.871 -22.852 1.00 51.41 N ATOM 0 H ARG A 10 -3.506 7.770 -16.720 1.00 4.41 H new ATOM 0 HA ARG A 10 -5.849 9.535 -16.332 1.00 55.52 H new ATOM 0 HB2 ARG A 10 -4.069 10.299 -17.930 1.00 70.42 H new ATOM 0 HB3 ARG A 10 -4.310 8.835 -18.863 1.00 70.42 H new ATOM 0 HG2 ARG A 10 -6.838 9.647 -18.914 1.00 2.21 H new ATOM 0 HG3 ARG A 10 -6.131 11.211 -18.558 1.00 2.21 H new ATOM 0 HD2 ARG A 10 -4.485 10.603 -20.545 1.00 35.03 H new ATOM 0 HD3 ARG A 10 -5.743 9.466 -20.991 1.00 35.03 H new ATOM 0 HE ARG A 10 -7.025 11.951 -20.550 1.00 32.14 H new ATOM 0 HH11 ARG A 10 -4.614 10.534 -22.704 1.00 22.24 H new ATOM 0 HH12 ARG A 10 -5.017 11.607 -24.049 1.00 22.24 H new ATOM 0 HH21 ARG A 10 -7.538 13.324 -22.282 1.00 51.41 H new ATOM 0 HH22 ARG A 10 -6.665 13.179 -23.811 1.00 51.41 H new ATOM 148 N SER A 11 -5.665 6.503 -17.529 1.00 64.25 N ATOM 149 CA SER A 11 -6.447 5.331 -17.905 1.00 65.33 C ATOM 150 C SER A 11 -7.477 4.998 -16.831 1.00 33.02 C ATOM 151 O SER A 11 -7.362 5.437 -15.687 1.00 73.42 O ATOM 152 CB SER A 11 -5.527 4.130 -18.135 1.00 23.02 C ATOM 153 OG SER A 11 -5.931 3.388 -19.273 1.00 5.32 O ATOM 0 H SER A 11 -4.665 6.328 -17.426 1.00 64.25 H new ATOM 0 HA SER A 11 -6.974 5.559 -18.831 1.00 65.33 H new ATOM 0 HB2 SER A 11 -4.501 4.474 -18.267 1.00 23.02 H new ATOM 0 HB3 SER A 11 -5.537 3.487 -17.255 1.00 23.02 H new ATOM 0 HG SER A 11 -5.326 2.627 -19.399 1.00 5.32 H new ATOM 159 N GLY A 12 -8.486 4.218 -17.208 1.00 52.44 N ATOM 160 CA GLY A 12 -9.523 3.839 -16.267 1.00 15.51 C ATOM 161 C GLY A 12 -10.184 5.040 -15.618 1.00 22.41 C ATOM 162 O GLY A 12 -10.275 6.108 -16.221 1.00 13.24 O ATOM 0 H GLY A 12 -8.603 3.842 -18.149 1.00 52.44 H new ATOM 0 HA2 GLY A 12 -10.279 3.247 -16.783 1.00 15.51 H new ATOM 0 HA3 GLY A 12 -9.093 3.203 -15.494 1.00 15.51 H new ATOM 166 N GLY A 13 -10.648 4.863 -14.384 1.00 44.02 N ATOM 167 CA GLY A 13 -11.299 5.948 -13.674 1.00 41.21 C ATOM 168 C GLY A 13 -10.375 7.127 -13.444 1.00 3.51 C ATOM 169 O GLY A 13 -9.154 6.972 -13.409 1.00 42.14 O ATOM 0 H GLY A 13 -10.584 3.988 -13.864 1.00 44.02 H new ATOM 0 HA2 GLY A 13 -12.170 6.278 -14.240 1.00 41.21 H new ATOM 0 HA3 GLY A 13 -11.663 5.583 -12.714 1.00 41.21 H new ATOM 173 N LYS A 14 -10.957 8.312 -13.287 1.00 61.52 N ATOM 174 CA LYS A 14 -10.178 9.523 -13.059 1.00 55.24 C ATOM 175 C LYS A 14 -10.884 10.446 -12.071 1.00 33.54 C ATOM 176 O LYS A 14 -12.095 10.654 -12.156 1.00 45.42 O ATOM 177 CB LYS A 14 -9.943 10.259 -14.381 1.00 33.14 C ATOM 178 CG LYS A 14 -8.786 9.700 -15.190 1.00 42.41 C ATOM 179 CD LYS A 14 -8.260 10.719 -16.188 1.00 32.14 C ATOM 180 CE LYS A 14 -7.331 11.723 -15.522 1.00 73.12 C ATOM 181 NZ LYS A 14 -7.724 13.127 -15.824 1.00 53.14 N ATOM 0 H LYS A 14 -11.966 8.459 -13.314 1.00 61.52 H new ATOM 0 HA LYS A 14 -9.217 9.232 -12.635 1.00 55.24 H new ATOM 0 HB2 LYS A 14 -10.852 10.211 -14.981 1.00 33.14 H new ATOM 0 HB3 LYS A 14 -9.754 11.312 -14.172 1.00 33.14 H new ATOM 0 HG2 LYS A 14 -7.982 9.399 -14.518 1.00 42.41 H new ATOM 0 HG3 LYS A 14 -9.110 8.804 -15.720 1.00 42.41 H new ATOM 0 HD2 LYS A 14 -7.728 10.205 -16.989 1.00 32.14 H new ATOM 0 HD3 LYS A 14 -9.097 11.245 -16.648 1.00 32.14 H new ATOM 0 HE2 LYS A 14 -7.341 11.567 -14.443 1.00 73.12 H new ATOM 0 HE3 LYS A 14 -6.309 11.551 -15.859 1.00 73.12 H new ATOM 0 HZ1 LYS A 14 -7.067 13.781 -15.352 1.00 53.14 H new ATOM 0 HZ2 LYS A 14 -7.690 13.284 -16.852 1.00 53.14 H new ATOM 0 HZ3 LYS A 14 -8.690 13.299 -15.479 1.00 53.14 H new ATOM 195 N VAL A 15 -10.120 10.996 -11.133 1.00 0.33 N ATOM 196 CA VAL A 15 -10.672 11.899 -10.129 1.00 61.42 C ATOM 197 C VAL A 15 -9.681 13.003 -9.779 1.00 30.24 C ATOM 198 O VAL A 15 -8.467 12.806 -9.840 1.00 2.03 O ATOM 199 CB VAL A 15 -11.056 11.141 -8.844 1.00 42.41 C ATOM 200 CG1 VAL A 15 -11.801 12.058 -7.886 1.00 51.32 C ATOM 201 CG2 VAL A 15 -11.890 9.914 -9.178 1.00 53.24 C ATOM 0 H VAL A 15 -9.117 10.832 -11.047 1.00 0.33 H new ATOM 0 HA VAL A 15 -11.568 12.344 -10.561 1.00 61.42 H new ATOM 0 HB VAL A 15 -10.142 10.807 -8.353 1.00 42.41 H new ATOM 0 HG11 VAL A 15 -12.064 11.505 -6.984 1.00 51.32 H new ATOM 0 HG12 VAL A 15 -11.164 12.902 -7.621 1.00 51.32 H new ATOM 0 HG13 VAL A 15 -12.709 12.424 -8.365 1.00 51.32 H new ATOM 0 HG21 VAL A 15 -12.152 9.391 -8.258 1.00 53.24 H new ATOM 0 HG22 VAL A 15 -12.800 10.222 -9.692 1.00 53.24 H new ATOM 0 HG23 VAL A 15 -11.316 9.249 -9.823 1.00 53.24 H new ATOM 211 N THR A 16 -10.207 14.167 -9.410 1.00 4.10 N ATOM 212 CA THR A 16 -9.369 15.304 -9.050 1.00 21.02 C ATOM 213 C THR A 16 -9.849 15.952 -7.756 1.00 45.43 C ATOM 214 O THR A 16 -11.044 16.181 -7.571 1.00 10.12 O ATOM 215 CB THR A 16 -9.351 16.365 -10.167 1.00 31.24 C ATOM 216 OG1 THR A 16 -8.661 17.537 -9.718 1.00 72.31 O ATOM 217 CG2 THR A 16 -10.766 16.733 -10.586 1.00 72.42 C ATOM 0 H THR A 16 -11.209 14.347 -9.353 1.00 4.10 H new ATOM 0 HA THR A 16 -8.359 14.920 -8.908 1.00 21.02 H new ATOM 0 HB THR A 16 -8.831 15.945 -11.028 1.00 31.24 H new ATOM 0 HG1 THR A 16 -7.855 17.274 -9.227 1.00 72.31 H new ATOM 0 HG21 THR A 16 -10.728 17.484 -11.376 1.00 72.42 H new ATOM 0 HG22 THR A 16 -11.279 15.845 -10.954 1.00 72.42 H new ATOM 0 HG23 THR A 16 -11.306 17.135 -9.729 1.00 72.42 H new ATOM 225 N PHE A 17 -8.909 16.247 -6.864 1.00 0.40 N ATOM 226 CA PHE A 17 -9.236 16.870 -5.587 1.00 34.04 C ATOM 227 C PHE A 17 -8.519 18.208 -5.434 1.00 22.12 C ATOM 228 O PHE A 17 -7.466 18.432 -6.032 1.00 73.21 O ATOM 229 CB PHE A 17 -8.859 15.941 -4.431 1.00 2.12 C ATOM 230 CG PHE A 17 -9.311 14.523 -4.629 1.00 74.33 C ATOM 231 CD1 PHE A 17 -10.660 14.216 -4.702 1.00 35.22 C ATOM 232 CD2 PHE A 17 -8.388 13.496 -4.743 1.00 5.32 C ATOM 233 CE1 PHE A 17 -11.080 12.912 -4.885 1.00 34.42 C ATOM 234 CE2 PHE A 17 -8.801 12.191 -4.926 1.00 74.53 C ATOM 235 CZ PHE A 17 -10.149 11.898 -4.996 1.00 74.41 C ATOM 0 H PHE A 17 -7.915 16.065 -7.002 1.00 0.40 H new ATOM 0 HA PHE A 17 -10.311 17.050 -5.564 1.00 34.04 H new ATOM 0 HB2 PHE A 17 -7.777 15.954 -4.303 1.00 2.12 H new ATOM 0 HB3 PHE A 17 -9.294 16.327 -3.509 1.00 2.12 H new ATOM 0 HD1 PHE A 17 -11.392 15.005 -4.615 1.00 35.22 H new ATOM 0 HD2 PHE A 17 -7.333 13.719 -4.688 1.00 5.32 H new ATOM 0 HE1 PHE A 17 -12.135 12.686 -4.941 1.00 34.42 H new ATOM 0 HE2 PHE A 17 -8.071 11.400 -5.014 1.00 74.53 H new ATOM 0 HZ PHE A 17 -10.474 10.878 -5.137 1.00 74.41 H new ATOM 245 N ARG A 18 -9.096 19.094 -4.629 1.00 75.11 N ATOM 246 CA ARG A 18 -8.514 20.410 -4.399 1.00 11.44 C ATOM 247 C ARG A 18 -8.217 20.621 -2.917 1.00 4.50 C ATOM 248 O ARG A 18 -9.120 20.580 -2.081 1.00 4.33 O ATOM 249 CB ARG A 18 -9.458 21.504 -4.901 1.00 51.32 C ATOM 250 CG ARG A 18 -9.353 21.760 -6.396 1.00 11.02 C ATOM 251 CD ARG A 18 -10.671 22.255 -6.970 1.00 51.51 C ATOM 252 NE ARG A 18 -10.487 22.955 -8.239 1.00 22.40 N ATOM 253 CZ ARG A 18 -11.472 23.556 -8.896 1.00 41.24 C ATOM 254 NH1 ARG A 18 -12.704 23.544 -8.407 1.00 51.31 N ATOM 255 NH2 ARG A 18 -11.225 24.172 -10.046 1.00 33.13 N ATOM 0 H ARG A 18 -9.966 18.924 -4.125 1.00 75.11 H new ATOM 0 HA ARG A 18 -7.577 20.467 -4.952 1.00 11.44 H new ATOM 0 HB2 ARG A 18 -10.484 21.226 -4.660 1.00 51.32 H new ATOM 0 HB3 ARG A 18 -9.245 22.430 -4.367 1.00 51.32 H new ATOM 0 HG2 ARG A 18 -8.572 22.497 -6.586 1.00 11.02 H new ATOM 0 HG3 ARG A 18 -9.056 20.842 -6.903 1.00 11.02 H new ATOM 0 HD2 ARG A 18 -11.343 21.409 -7.117 1.00 51.51 H new ATOM 0 HD3 ARG A 18 -11.150 22.923 -6.254 1.00 51.51 H new ATOM 0 HE ARG A 18 -9.551 22.984 -8.642 1.00 22.40 H new ATOM 0 HH11 ARG A 18 -12.897 23.072 -7.524 1.00 51.31 H new ATOM 0 HH12 ARG A 18 -13.458 24.007 -8.914 1.00 51.31 H new ATOM 0 HH21 ARG A 18 -10.278 24.184 -10.425 1.00 33.13 H new ATOM 0 HH22 ARG A 18 -11.982 24.633 -10.550 1.00 33.13 H new ATOM 269 N ILE A 19 -6.946 20.847 -2.600 1.00 71.22 N ATOM 270 CA ILE A 19 -6.530 21.065 -1.220 1.00 75.32 C ATOM 271 C ILE A 19 -6.053 22.497 -1.010 1.00 1.54 C ATOM 272 O ILE A 19 -5.242 23.012 -1.781 1.00 32.23 O ATOM 273 CB ILE A 19 -5.406 20.095 -0.811 1.00 42.22 C ATOM 274 CG1 ILE A 19 -4.303 20.082 -1.872 1.00 12.31 C ATOM 275 CG2 ILE A 19 -5.963 18.695 -0.602 1.00 14.32 C ATOM 276 CD1 ILE A 19 -3.083 19.285 -1.466 1.00 13.43 C ATOM 0 H ILE A 19 -6.187 20.884 -3.280 1.00 71.22 H new ATOM 0 HA ILE A 19 -7.403 20.880 -0.594 1.00 75.32 H new ATOM 0 HB ILE A 19 -4.976 20.438 0.130 1.00 42.22 H new ATOM 0 HG12 ILE A 19 -4.705 19.669 -2.797 1.00 12.31 H new ATOM 0 HG13 ILE A 19 -4.002 21.108 -2.085 1.00 12.31 H new ATOM 0 HG21 ILE A 19 -5.156 18.022 -0.313 1.00 14.32 H new ATOM 0 HG22 ILE A 19 -6.716 18.717 0.185 1.00 14.32 H new ATOM 0 HG23 ILE A 19 -6.416 18.342 -1.528 1.00 14.32 H new ATOM 0 HD11 ILE A 19 -2.343 19.320 -2.266 1.00 13.43 H new ATOM 0 HD12 ILE A 19 -2.656 19.710 -0.558 1.00 13.43 H new ATOM 0 HD13 ILE A 19 -3.370 18.250 -1.282 1.00 13.43 H new ATOM 288 N ILE A 20 -6.559 23.136 0.040 1.00 73.21 N ATOM 289 CA ILE A 20 -6.182 24.508 0.354 1.00 50.34 C ATOM 290 C ILE A 20 -5.573 24.606 1.748 1.00 12.03 C ATOM 291 O ILE A 20 -6.255 24.391 2.752 1.00 64.23 O ATOM 292 CB ILE A 20 -7.391 25.459 0.266 1.00 61.43 C ATOM 293 CG1 ILE A 20 -8.008 25.406 -1.133 1.00 61.04 C ATOM 294 CG2 ILE A 20 -6.974 26.880 0.614 1.00 62.35 C ATOM 295 CD1 ILE A 20 -9.221 26.296 -1.293 1.00 4.01 C ATOM 0 H ILE A 20 -7.231 22.725 0.688 1.00 73.21 H new ATOM 0 HA ILE A 20 -5.440 24.808 -0.386 1.00 50.34 H new ATOM 0 HB ILE A 20 -8.142 25.136 0.986 1.00 61.43 H new ATOM 0 HG12 ILE A 20 -7.255 25.697 -1.865 1.00 61.04 H new ATOM 0 HG13 ILE A 20 -8.290 24.377 -1.358 1.00 61.04 H new ATOM 0 HG21 ILE A 20 -7.839 27.540 0.547 1.00 62.35 H new ATOM 0 HG22 ILE A 20 -6.576 26.904 1.629 1.00 62.35 H new ATOM 0 HG23 ILE A 20 -6.207 27.215 -0.084 1.00 62.35 H new ATOM 0 HD11 ILE A 20 -9.606 26.208 -2.309 1.00 4.01 H new ATOM 0 HD12 ILE A 20 -9.992 25.991 -0.585 1.00 4.01 H new ATOM 0 HD13 ILE A 20 -8.941 27.331 -1.100 1.00 4.01 H new ATOM 307 N LEU A 21 -4.287 24.933 1.805 1.00 51.53 N ATOM 308 CA LEU A 21 -3.585 25.062 3.077 1.00 13.21 C ATOM 309 C LEU A 21 -3.497 26.524 3.505 1.00 62.32 C ATOM 310 O LEU A 21 -3.452 27.426 2.668 1.00 72.24 O ATOM 311 CB LEU A 21 -2.181 24.464 2.971 1.00 54.24 C ATOM 312 CG LEU A 21 -1.435 24.265 4.290 1.00 21.21 C ATOM 313 CD1 LEU A 21 -1.604 22.838 4.789 1.00 54.21 C ATOM 314 CD2 LEU A 21 0.040 24.602 4.125 1.00 53.41 C ATOM 0 H LEU A 21 -3.709 25.114 0.984 1.00 51.53 H new ATOM 0 HA LEU A 21 -4.150 24.515 3.832 1.00 13.21 H new ATOM 0 HB2 LEU A 21 -2.256 23.499 2.470 1.00 54.24 H new ATOM 0 HB3 LEU A 21 -1.580 25.110 2.331 1.00 54.24 H new ATOM 0 HG LEU A 21 -1.861 24.941 5.031 1.00 21.21 H new ATOM 0 HD11 LEU A 21 -1.066 22.715 5.729 1.00 54.21 H new ATOM 0 HD12 LEU A 21 -2.662 22.631 4.947 1.00 54.21 H new ATOM 0 HD13 LEU A 21 -1.205 22.144 4.049 1.00 54.21 H new ATOM 0 HD21 LEU A 21 0.555 24.455 5.074 1.00 53.41 H new ATOM 0 HD22 LEU A 21 0.479 23.952 3.369 1.00 53.41 H new ATOM 0 HD23 LEU A 21 0.143 25.642 3.814 1.00 53.41 H new ATOM 326 N THR A 22 -3.470 26.751 4.814 1.00 3.34 N ATOM 327 CA THR A 22 -3.385 28.103 5.354 1.00 72.43 C ATOM 328 C THR A 22 -1.949 28.613 5.336 1.00 21.21 C ATOM 329 O THR A 22 -1.709 29.819 5.282 1.00 72.02 O ATOM 330 CB THR A 22 -3.923 28.167 6.796 1.00 72.44 C ATOM 331 OG1 THR A 22 -4.017 29.530 7.223 1.00 20.15 O ATOM 332 CG2 THR A 22 -3.021 27.393 7.745 1.00 65.12 C ATOM 0 H THR A 22 -3.506 26.016 5.521 1.00 3.34 H new ATOM 0 HA THR A 22 -4.001 28.737 4.716 1.00 72.43 H new ATOM 0 HB THR A 22 -4.914 27.713 6.812 1.00 72.44 H new ATOM 0 HG1 THR A 22 -4.361 29.563 8.140 1.00 20.15 H new ATOM 0 HG21 THR A 22 -3.421 27.453 8.757 1.00 65.12 H new ATOM 0 HG22 THR A 22 -2.975 26.349 7.434 1.00 65.12 H new ATOM 0 HG23 THR A 22 -2.019 27.822 7.725 1.00 65.12 H new ATOM 340 N SER A 23 -0.996 27.687 5.382 1.00 73.02 N ATOM 341 CA SER A 23 0.418 28.044 5.374 1.00 34.12 C ATOM 342 C SER A 23 0.894 28.346 3.957 1.00 70.04 C ATOM 343 O SER A 23 1.951 28.944 3.761 1.00 42.14 O ATOM 344 CB SER A 23 1.254 26.913 5.975 1.00 21.23 C ATOM 345 OG SER A 23 2.305 27.426 6.776 1.00 34.42 O ATOM 0 H SER A 23 -1.178 26.684 5.425 1.00 73.02 H new ATOM 0 HA SER A 23 0.544 28.941 5.980 1.00 34.12 H new ATOM 0 HB2 SER A 23 0.616 26.266 6.577 1.00 21.23 H new ATOM 0 HB3 SER A 23 1.668 26.298 5.176 1.00 21.23 H new ATOM 0 HG SER A 23 2.824 26.683 7.150 1.00 34.42 H new ATOM 351 N GLU A 24 0.105 27.927 2.972 1.00 0.20 N ATOM 352 CA GLU A 24 0.446 28.152 1.572 1.00 5.03 C ATOM 353 C GLU A 24 -0.301 29.361 1.017 1.00 3.45 C ATOM 354 O GLU A 24 -0.910 29.292 -0.050 1.00 33.42 O ATOM 355 CB GLU A 24 0.120 26.911 0.739 1.00 23.10 C ATOM 356 CG GLU A 24 1.095 26.670 -0.401 1.00 62.13 C ATOM 357 CD GLU A 24 0.511 27.030 -1.754 1.00 25.23 C ATOM 358 OE1 GLU A 24 -0.225 26.196 -2.322 1.00 45.23 O ATOM 359 OE2 GLU A 24 0.790 28.144 -2.244 1.00 25.15 O ATOM 0 H GLU A 24 -0.774 27.430 3.118 1.00 0.20 H new ATOM 0 HA GLU A 24 1.516 28.350 1.513 1.00 5.03 H new ATOM 0 HB2 GLU A 24 0.113 26.038 1.391 1.00 23.10 H new ATOM 0 HB3 GLU A 24 -0.886 27.012 0.331 1.00 23.10 H new ATOM 0 HG2 GLU A 24 1.998 27.256 -0.232 1.00 62.13 H new ATOM 0 HG3 GLU A 24 1.392 25.621 -0.405 1.00 62.13 H new ATOM 366 N ARG A 25 -0.249 30.469 1.750 1.00 21.23 N ATOM 367 CA ARG A 25 -0.922 31.693 1.333 1.00 3.13 C ATOM 368 C ARG A 25 -0.342 32.212 0.021 1.00 41.13 C ATOM 369 O ARG A 25 -0.987 32.978 -0.695 1.00 35.02 O ATOM 370 CB ARG A 25 -0.795 32.765 2.418 1.00 75.50 C ATOM 371 CG ARG A 25 0.642 33.090 2.788 1.00 3.10 C ATOM 372 CD ARG A 25 0.983 32.597 4.186 1.00 61.14 C ATOM 373 NE ARG A 25 2.401 32.272 4.321 1.00 54.40 N ATOM 374 CZ ARG A 25 2.934 31.755 5.422 1.00 3.41 C ATOM 375 NH1 ARG A 25 2.172 31.505 6.478 1.00 40.03 N ATOM 376 NH2 ARG A 25 4.233 31.487 5.469 1.00 51.14 N ATOM 0 H ARG A 25 0.252 30.544 2.635 1.00 21.23 H new ATOM 0 HA ARG A 25 -1.976 31.464 1.179 1.00 3.13 H new ATOM 0 HB2 ARG A 25 -1.288 33.675 2.077 1.00 75.50 H new ATOM 0 HB3 ARG A 25 -1.324 32.431 3.310 1.00 75.50 H new ATOM 0 HG2 ARG A 25 1.317 32.633 2.065 1.00 3.10 H new ATOM 0 HG3 ARG A 25 0.798 34.167 2.733 1.00 3.10 H new ATOM 0 HD2 ARG A 25 0.715 33.361 4.915 1.00 61.14 H new ATOM 0 HD3 ARG A 25 0.385 31.715 4.415 1.00 61.14 H new ATOM 0 HE ARG A 25 3.015 32.452 3.527 1.00 54.40 H new ATOM 0 HH11 ARG A 25 1.173 31.710 6.446 1.00 40.03 H new ATOM 0 HH12 ARG A 25 2.585 31.108 7.322 1.00 40.03 H new ATOM 0 HH21 ARG A 25 4.823 31.678 4.659 1.00 51.14 H new ATOM 0 HH22 ARG A 25 4.642 31.090 6.315 1.00 51.14 H new ATOM 390 N SER A 26 0.880 31.790 -0.288 1.00 71.14 N ATOM 391 CA SER A 26 1.549 32.215 -1.512 1.00 53.35 C ATOM 392 C SER A 26 0.724 31.840 -2.740 1.00 44.33 C ATOM 393 O SER A 26 0.763 32.528 -3.760 1.00 1.31 O ATOM 394 CB SER A 26 2.939 31.584 -1.605 1.00 70.51 C ATOM 395 OG SER A 26 3.287 31.311 -2.952 1.00 12.44 O ATOM 0 H SER A 26 1.427 31.154 0.292 1.00 71.14 H new ATOM 0 HA SER A 26 1.652 33.300 -1.482 1.00 53.35 H new ATOM 0 HB2 SER A 26 3.676 32.255 -1.165 1.00 70.51 H new ATOM 0 HB3 SER A 26 2.962 30.661 -1.026 1.00 70.51 H new ATOM 0 HG SER A 26 4.180 30.910 -2.984 1.00 12.44 H new ATOM 401 N GLN A 27 -0.020 30.745 -2.633 1.00 71.53 N ATOM 402 CA GLN A 27 -0.853 30.277 -3.735 1.00 13.12 C ATOM 403 C GLN A 27 -1.680 29.066 -3.316 1.00 60.21 C ATOM 404 O GLN A 27 -1.469 27.947 -3.786 1.00 14.40 O ATOM 405 CB GLN A 27 0.014 29.924 -4.944 1.00 63.01 C ATOM 406 CG GLN A 27 -0.701 30.089 -6.275 1.00 51.32 C ATOM 407 CD GLN A 27 -0.629 31.508 -6.804 1.00 63.04 C ATOM 408 OE1 GLN A 27 0.450 32.011 -7.119 1.00 3.45 O ATOM 409 NE2 GLN A 27 -1.780 32.162 -6.906 1.00 71.44 N ATOM 0 H GLN A 27 -0.064 30.165 -1.795 1.00 71.53 H new ATOM 0 HA GLN A 27 -1.535 31.082 -4.009 1.00 13.12 H new ATOM 0 HB2 GLN A 27 0.904 30.554 -4.939 1.00 63.01 H new ATOM 0 HB3 GLN A 27 0.353 28.892 -4.849 1.00 63.01 H new ATOM 0 HG2 GLN A 27 -0.262 29.410 -7.006 1.00 51.32 H new ATOM 0 HG3 GLN A 27 -1.746 29.801 -6.160 1.00 51.32 H new ATOM 0 HE21 GLN A 27 -2.651 31.707 -6.634 1.00 71.44 H new ATOM 0 HE22 GLN A 27 -1.793 33.120 -7.257 1.00 71.44 H new ATOM 418 N PRO A 28 -2.644 29.291 -2.411 1.00 24.24 N ATOM 419 CA PRO A 28 -3.522 28.230 -1.909 1.00 24.43 C ATOM 420 C PRO A 28 -4.498 27.735 -2.970 1.00 74.00 C ATOM 421 O PRO A 28 -5.652 28.163 -3.014 1.00 31.53 O ATOM 422 CB PRO A 28 -4.276 28.906 -0.762 1.00 0.35 C ATOM 423 CG PRO A 28 -4.254 30.357 -1.098 1.00 13.51 C ATOM 424 CD PRO A 28 -2.951 30.599 -1.808 1.00 23.44 C ATOM 0 HA PRO A 28 -2.961 27.346 -1.605 1.00 24.43 H new ATOM 0 HB2 PRO A 28 -5.297 28.533 -0.685 1.00 0.35 H new ATOM 0 HB3 PRO A 28 -3.794 28.714 0.196 1.00 0.35 H new ATOM 0 HG2 PRO A 28 -5.099 30.623 -1.733 1.00 13.51 H new ATOM 0 HG3 PRO A 28 -4.327 30.967 -0.198 1.00 13.51 H new ATOM 0 HD2 PRO A 28 -3.044 31.378 -2.564 1.00 23.44 H new ATOM 0 HD3 PRO A 28 -2.170 30.917 -1.117 1.00 23.44 H new ATOM 432 N PHE A 29 -4.029 26.831 -3.824 1.00 54.41 N ATOM 433 CA PHE A 29 -4.862 26.279 -4.886 1.00 61.31 C ATOM 434 C PHE A 29 -4.138 25.149 -5.613 1.00 44.41 C ATOM 435 O PHE A 29 -3.927 25.211 -6.824 1.00 43.44 O ATOM 436 CB PHE A 29 -5.250 27.374 -5.881 1.00 54.31 C ATOM 437 CG PHE A 29 -6.591 27.155 -6.521 1.00 73.22 C ATOM 438 CD1 PHE A 29 -7.515 28.185 -6.597 1.00 23.04 C ATOM 439 CD2 PHE A 29 -6.928 25.918 -7.047 1.00 35.00 C ATOM 440 CE1 PHE A 29 -8.749 27.986 -7.185 1.00 54.54 C ATOM 441 CE2 PHE A 29 -8.161 25.714 -7.637 1.00 74.32 C ATOM 442 CZ PHE A 29 -9.073 26.749 -7.705 1.00 74.24 C ATOM 0 H PHE A 29 -3.077 26.465 -3.801 1.00 54.41 H new ATOM 0 HA PHE A 29 -5.766 25.875 -4.431 1.00 61.31 H new ATOM 0 HB2 PHE A 29 -5.254 28.335 -5.367 1.00 54.31 H new ATOM 0 HB3 PHE A 29 -4.490 27.432 -6.660 1.00 54.31 H new ATOM 0 HD1 PHE A 29 -7.267 29.155 -6.192 1.00 23.04 H new ATOM 0 HD2 PHE A 29 -6.219 25.105 -6.995 1.00 35.00 H new ATOM 0 HE1 PHE A 29 -9.460 28.797 -7.238 1.00 54.54 H new ATOM 0 HE2 PHE A 29 -8.411 24.746 -8.045 1.00 74.32 H new ATOM 0 HZ PHE A 29 -10.038 26.591 -8.164 1.00 74.24 H new ATOM 452 N ARG A 30 -3.759 24.119 -4.864 1.00 61.13 N ATOM 453 CA ARG A 30 -3.057 22.976 -5.436 1.00 4.30 C ATOM 454 C ARG A 30 -4.037 21.870 -5.816 1.00 2.30 C ATOM 455 O ARG A 30 -4.707 21.298 -4.956 1.00 61.24 O ATOM 456 CB ARG A 30 -2.023 22.438 -4.445 1.00 41.00 C ATOM 457 CG ARG A 30 -0.602 22.439 -4.986 1.00 15.10 C ATOM 458 CD ARG A 30 -0.498 21.645 -6.279 1.00 11.32 C ATOM 459 NE ARG A 30 0.882 21.538 -6.745 1.00 53.03 N ATOM 460 CZ ARG A 30 1.544 22.537 -7.318 1.00 13.44 C ATOM 461 NH1 ARG A 30 0.955 23.713 -7.493 1.00 22.44 N ATOM 462 NH2 ARG A 30 2.797 22.362 -7.716 1.00 3.53 N ATOM 0 H ARG A 30 -3.926 24.052 -3.860 1.00 61.13 H new ATOM 0 HA ARG A 30 -2.546 23.310 -6.339 1.00 4.30 H new ATOM 0 HB2 ARG A 30 -2.057 23.038 -3.536 1.00 41.00 H new ATOM 0 HB3 ARG A 30 -2.295 21.420 -4.165 1.00 41.00 H new ATOM 0 HG2 ARG A 30 -0.279 23.465 -5.161 1.00 15.10 H new ATOM 0 HG3 ARG A 30 0.072 22.015 -4.242 1.00 15.10 H new ATOM 0 HD2 ARG A 30 -0.907 20.647 -6.125 1.00 11.32 H new ATOM 0 HD3 ARG A 30 -1.104 22.123 -7.048 1.00 11.32 H new ATOM 0 HE ARG A 30 1.364 20.647 -6.624 1.00 53.03 H new ATOM 0 HH11 ARG A 30 -0.008 23.851 -7.187 1.00 22.44 H new ATOM 0 HH12 ARG A 30 1.465 24.479 -7.933 1.00 22.44 H new ATOM 0 HH21 ARG A 30 3.253 21.460 -7.582 1.00 3.53 H new ATOM 0 HH22 ARG A 30 3.304 23.130 -8.156 1.00 3.53 H new ATOM 476 N VAL A 31 -4.115 21.575 -7.110 1.00 14.03 N ATOM 477 CA VAL A 31 -5.013 20.538 -7.604 1.00 21.41 C ATOM 478 C VAL A 31 -4.260 19.238 -7.865 1.00 3.11 C ATOM 479 O VAL A 31 -3.168 19.245 -8.434 1.00 42.40 O ATOM 480 CB VAL A 31 -5.720 20.978 -8.900 1.00 22.43 C ATOM 481 CG1 VAL A 31 -4.701 21.269 -9.991 1.00 73.13 C ATOM 482 CG2 VAL A 31 -6.710 19.916 -9.353 1.00 32.33 C ATOM 0 H VAL A 31 -3.567 22.039 -7.835 1.00 14.03 H new ATOM 0 HA VAL A 31 -5.761 20.372 -6.829 1.00 21.41 H new ATOM 0 HB VAL A 31 -6.273 21.895 -8.699 1.00 22.43 H new ATOM 0 HG11 VAL A 31 -5.219 21.578 -10.899 1.00 73.13 H new ATOM 0 HG12 VAL A 31 -4.035 22.067 -9.663 1.00 73.13 H new ATOM 0 HG13 VAL A 31 -4.118 20.370 -10.194 1.00 73.13 H new ATOM 0 HG21 VAL A 31 -7.200 20.243 -10.270 1.00 32.33 H new ATOM 0 HG22 VAL A 31 -6.181 18.981 -9.538 1.00 32.33 H new ATOM 0 HG23 VAL A 31 -7.459 19.762 -8.576 1.00 32.33 H new ATOM 492 N ILE A 32 -4.850 18.124 -7.446 1.00 13.13 N ATOM 493 CA ILE A 32 -4.236 16.816 -7.636 1.00 4.22 C ATOM 494 C ILE A 32 -5.106 15.922 -8.512 1.00 63.05 C ATOM 495 O ILE A 32 -6.318 15.832 -8.316 1.00 5.33 O ATOM 496 CB ILE A 32 -3.986 16.110 -6.290 1.00 13.32 C ATOM 497 CG1 ILE A 32 -5.247 16.157 -5.424 1.00 22.43 C ATOM 498 CG2 ILE A 32 -2.814 16.753 -5.564 1.00 12.33 C ATOM 499 CD1 ILE A 32 -5.098 15.436 -4.102 1.00 15.00 C ATOM 0 H ILE A 32 -5.753 18.101 -6.972 1.00 13.13 H new ATOM 0 HA ILE A 32 -3.280 16.986 -8.131 1.00 4.22 H new ATOM 0 HB ILE A 32 -3.739 15.066 -6.484 1.00 13.32 H new ATOM 0 HG12 ILE A 32 -5.509 17.198 -5.234 1.00 22.43 H new ATOM 0 HG13 ILE A 32 -6.076 15.716 -5.978 1.00 22.43 H new ATOM 0 HG21 ILE A 32 -2.650 16.243 -4.615 1.00 12.33 H new ATOM 0 HG22 ILE A 32 -1.917 16.673 -6.179 1.00 12.33 H new ATOM 0 HG23 ILE A 32 -3.034 17.804 -5.378 1.00 12.33 H new ATOM 0 HD11 ILE A 32 -6.029 15.510 -3.540 1.00 15.00 H new ATOM 0 HD12 ILE A 32 -4.866 14.387 -4.284 1.00 15.00 H new ATOM 0 HD13 ILE A 32 -4.291 15.892 -3.528 1.00 15.00 H new ATOM 511 N SER A 33 -4.479 15.260 -9.480 1.00 3.41 N ATOM 512 CA SER A 33 -5.196 14.374 -10.389 1.00 21.12 C ATOM 513 C SER A 33 -4.746 12.928 -10.204 1.00 75.43 C ATOM 514 O SER A 33 -3.569 12.606 -10.369 1.00 12.51 O ATOM 515 CB SER A 33 -4.974 14.808 -11.839 1.00 33.30 C ATOM 516 OG SER A 33 -3.666 14.480 -12.275 1.00 54.01 O ATOM 0 H SER A 33 -3.476 15.321 -9.654 1.00 3.41 H new ATOM 0 HA SER A 33 -6.259 14.438 -10.157 1.00 21.12 H new ATOM 0 HB2 SER A 33 -5.708 14.323 -12.483 1.00 33.30 H new ATOM 0 HB3 SER A 33 -5.132 15.883 -11.928 1.00 33.30 H new ATOM 0 HG SER A 33 -3.232 13.909 -11.607 1.00 54.01 H new ATOM 522 N ILE A 34 -5.693 12.060 -9.862 1.00 25.14 N ATOM 523 CA ILE A 34 -5.395 10.648 -9.656 1.00 30.14 C ATOM 524 C ILE A 34 -6.604 9.778 -9.984 1.00 24.11 C ATOM 525 O ILE A 34 -7.748 10.203 -9.829 1.00 41.53 O ATOM 526 CB ILE A 34 -4.956 10.371 -8.206 1.00 22.23 C ATOM 527 CG1 ILE A 34 -6.055 10.791 -7.228 1.00 2.03 C ATOM 528 CG2 ILE A 34 -3.657 11.101 -7.897 1.00 71.31 C ATOM 529 CD1 ILE A 34 -5.749 10.441 -5.788 1.00 41.02 C ATOM 0 H ILE A 34 -6.672 12.310 -9.722 1.00 25.14 H new ATOM 0 HA ILE A 34 -4.576 10.397 -10.329 1.00 30.14 H new ATOM 0 HB ILE A 34 -4.784 9.301 -8.092 1.00 22.23 H new ATOM 0 HG12 ILE A 34 -6.209 11.867 -7.307 1.00 2.03 H new ATOM 0 HG13 ILE A 34 -6.991 10.313 -7.519 1.00 2.03 H new ATOM 0 HG21 ILE A 34 -3.360 10.895 -6.869 1.00 71.31 H new ATOM 0 HG22 ILE A 34 -2.876 10.758 -8.576 1.00 71.31 H new ATOM 0 HG23 ILE A 34 -3.803 12.174 -8.025 1.00 71.31 H new ATOM 0 HD11 ILE A 34 -6.571 10.768 -5.151 1.00 41.02 H new ATOM 0 HD12 ILE A 34 -5.625 9.362 -5.694 1.00 41.02 H new ATOM 0 HD13 ILE A 34 -4.830 10.940 -5.480 1.00 41.02 H new ATOM 541 N ALA A 35 -6.341 8.556 -10.436 1.00 40.23 N ATOM 542 CA ALA A 35 -7.407 7.624 -10.783 1.00 1.33 C ATOM 543 C ALA A 35 -8.355 7.413 -9.607 1.00 51.42 C ATOM 544 O ALA A 35 -7.947 7.485 -8.449 1.00 23.13 O ATOM 545 CB ALA A 35 -6.820 6.295 -11.235 1.00 1.41 C ATOM 0 H ALA A 35 -5.399 8.189 -10.570 1.00 40.23 H new ATOM 0 HA ALA A 35 -7.979 8.054 -11.605 1.00 1.33 H new ATOM 0 HB1 ALA A 35 -7.627 5.609 -11.491 1.00 1.41 H new ATOM 0 HB2 ALA A 35 -6.189 6.455 -12.109 1.00 1.41 H new ATOM 0 HB3 ALA A 35 -6.223 5.868 -10.429 1.00 1.41 H new ATOM 551 N GLU A 36 -9.622 7.154 -9.914 1.00 73.12 N ATOM 552 CA GLU A 36 -10.628 6.934 -8.881 1.00 51.35 C ATOM 553 C GLU A 36 -10.268 5.728 -8.020 1.00 34.55 C ATOM 554 O GLU A 36 -10.717 5.611 -6.880 1.00 32.22 O ATOM 555 CB GLU A 36 -12.006 6.730 -9.515 1.00 63.33 C ATOM 556 CG GLU A 36 -13.155 6.867 -8.531 1.00 50.00 C ATOM 557 CD GLU A 36 -13.830 5.542 -8.234 1.00 52.10 C ATOM 558 OE1 GLU A 36 -15.078 5.493 -8.263 1.00 42.13 O ATOM 559 OE2 GLU A 36 -13.112 4.555 -7.972 1.00 42.02 O ATOM 0 H GLU A 36 -9.976 7.091 -10.868 1.00 73.12 H new ATOM 0 HA GLU A 36 -10.657 7.818 -8.244 1.00 51.35 H new ATOM 0 HB2 GLU A 36 -12.138 7.455 -10.318 1.00 63.33 H new ATOM 0 HB3 GLU A 36 -12.044 5.740 -9.970 1.00 63.33 H new ATOM 0 HG2 GLU A 36 -12.783 7.297 -7.601 1.00 50.00 H new ATOM 0 HG3 GLU A 36 -13.891 7.564 -8.932 1.00 50.00 H new ATOM 566 N GLU A 37 -9.456 4.833 -8.574 1.00 33.23 N ATOM 567 CA GLU A 37 -9.038 3.634 -7.856 1.00 43.41 C ATOM 568 C GLU A 37 -7.531 3.644 -7.613 1.00 12.22 C ATOM 569 O GLU A 37 -6.959 2.655 -7.156 1.00 71.03 O ATOM 570 CB GLU A 37 -9.431 2.380 -8.640 1.00 5.41 C ATOM 571 CG GLU A 37 -10.552 1.585 -7.993 1.00 52.04 C ATOM 572 CD GLU A 37 -10.084 0.786 -6.793 1.00 1.13 C ATOM 573 OE1 GLU A 37 -8.935 0.998 -6.351 1.00 41.04 O ATOM 574 OE2 GLU A 37 -10.865 -0.051 -6.295 1.00 15.33 O ATOM 0 H GLU A 37 -9.075 4.915 -9.517 1.00 33.23 H new ATOM 0 HA GLU A 37 -9.545 3.624 -6.891 1.00 43.41 H new ATOM 0 HB2 GLU A 37 -9.736 2.671 -9.645 1.00 5.41 H new ATOM 0 HB3 GLU A 37 -8.556 1.739 -8.746 1.00 5.41 H new ATOM 0 HG2 GLU A 37 -11.344 2.267 -7.684 1.00 52.04 H new ATOM 0 HG3 GLU A 37 -10.984 0.908 -8.730 1.00 52.04 H new ATOM 581 N ALA A 38 -6.895 4.770 -7.922 1.00 33.43 N ATOM 582 CA ALA A 38 -5.456 4.910 -7.736 1.00 34.33 C ATOM 583 C ALA A 38 -5.125 5.310 -6.302 1.00 44.43 C ATOM 584 O ALA A 38 -5.945 5.887 -5.588 1.00 21.44 O ATOM 585 CB ALA A 38 -4.895 5.930 -8.715 1.00 4.04 C ATOM 0 H ALA A 38 -7.354 5.598 -8.302 1.00 33.43 H new ATOM 0 HA ALA A 38 -4.992 3.943 -7.931 1.00 34.33 H new ATOM 0 HB1 ALA A 38 -3.820 6.025 -8.565 1.00 4.04 H new ATOM 0 HB2 ALA A 38 -5.092 5.601 -9.735 1.00 4.04 H new ATOM 0 HB3 ALA A 38 -5.371 6.896 -8.547 1.00 4.04 H new ATOM 591 N PRO A 39 -3.894 4.999 -5.870 1.00 22.23 N ATOM 592 CA PRO A 39 -3.426 5.317 -4.518 1.00 2.34 C ATOM 593 C PRO A 39 -3.226 6.815 -4.311 1.00 65.22 C ATOM 594 O PRO A 39 -3.041 7.565 -5.271 1.00 14.14 O ATOM 595 CB PRO A 39 -2.087 4.581 -4.423 1.00 32.21 C ATOM 596 CG PRO A 39 -1.622 4.458 -5.833 1.00 21.22 C ATOM 597 CD PRO A 39 -2.864 4.312 -6.668 1.00 11.05 C ATOM 0 HA PRO A 39 -4.147 5.018 -3.757 1.00 2.34 H new ATOM 0 HB2 PRO A 39 -1.372 5.137 -3.817 1.00 32.21 H new ATOM 0 HB3 PRO A 39 -2.205 3.602 -3.958 1.00 32.21 H new ATOM 0 HG2 PRO A 39 -1.051 5.336 -6.133 1.00 21.22 H new ATOM 0 HG3 PRO A 39 -0.967 3.595 -5.954 1.00 21.22 H new ATOM 0 HD2 PRO A 39 -2.744 4.770 -7.650 1.00 11.05 H new ATOM 0 HD3 PRO A 39 -3.116 3.265 -6.834 1.00 11.05 H new ATOM 605 N LEU A 40 -3.262 7.244 -3.055 1.00 11.14 N ATOM 606 CA LEU A 40 -3.084 8.653 -2.722 1.00 1.30 C ATOM 607 C LEU A 40 -1.669 9.117 -3.055 1.00 73.30 C ATOM 608 O LEU A 40 -1.442 10.290 -3.353 1.00 72.24 O ATOM 609 CB LEU A 40 -3.374 8.888 -1.238 1.00 43.15 C ATOM 610 CG LEU A 40 -3.106 10.301 -0.718 1.00 30.44 C ATOM 611 CD1 LEU A 40 -4.326 11.186 -0.924 1.00 25.51 C ATOM 612 CD2 LEU A 40 -2.715 10.262 0.753 1.00 74.24 C ATOM 0 H LEU A 40 -3.413 6.636 -2.250 1.00 11.14 H new ATOM 0 HA LEU A 40 -3.787 9.233 -3.319 1.00 1.30 H new ATOM 0 HB2 LEU A 40 -4.420 8.645 -1.050 1.00 43.15 H new ATOM 0 HB3 LEU A 40 -2.775 8.188 -0.656 1.00 43.15 H new ATOM 0 HG LEU A 40 -2.276 10.725 -1.283 1.00 30.44 H new ATOM 0 HD11 LEU A 40 -4.117 12.187 -0.548 1.00 25.51 H new ATOM 0 HD12 LEU A 40 -4.562 11.239 -1.987 1.00 25.51 H new ATOM 0 HD13 LEU A 40 -5.175 10.766 -0.385 1.00 25.51 H new ATOM 0 HD21 LEU A 40 -2.528 11.276 1.107 1.00 74.24 H new ATOM 0 HD22 LEU A 40 -3.525 9.819 1.333 1.00 74.24 H new ATOM 0 HD23 LEU A 40 -1.812 9.663 0.874 1.00 74.24 H new ATOM 624 N THR A 41 -0.720 8.187 -3.004 1.00 51.32 N ATOM 625 CA THR A 41 0.672 8.500 -3.301 1.00 61.43 C ATOM 626 C THR A 41 0.796 9.261 -4.616 1.00 63.53 C ATOM 627 O THR A 41 1.689 10.091 -4.782 1.00 10.34 O ATOM 628 CB THR A 41 1.530 7.223 -3.377 1.00 65.20 C ATOM 629 OG1 THR A 41 0.980 6.211 -2.526 1.00 52.14 O ATOM 630 CG2 THR A 41 2.967 7.511 -2.967 1.00 14.15 C ATOM 0 H THR A 41 -0.890 7.211 -2.760 1.00 51.32 H new ATOM 0 HA THR A 41 1.036 9.126 -2.487 1.00 61.43 H new ATOM 0 HB THR A 41 1.526 6.871 -4.409 1.00 65.20 H new ATOM 0 HG1 THR A 41 1.530 5.402 -2.582 1.00 52.14 H new ATOM 0 HG21 THR A 41 3.554 6.594 -3.029 1.00 14.15 H new ATOM 0 HG22 THR A 41 3.393 8.260 -3.635 1.00 14.15 H new ATOM 0 HG23 THR A 41 2.985 7.885 -1.943 1.00 14.15 H new ATOM 638 N ALA A 42 -0.105 8.972 -5.549 1.00 71.21 N ATOM 639 CA ALA A 42 -0.098 9.631 -6.849 1.00 4.41 C ATOM 640 C ALA A 42 -0.263 11.140 -6.700 1.00 32.10 C ATOM 641 O ALA A 42 0.441 11.918 -7.343 1.00 23.42 O ATOM 642 CB ALA A 42 -1.196 9.063 -7.736 1.00 24.14 C ATOM 0 H ALA A 42 -0.850 8.285 -5.429 1.00 71.21 H new ATOM 0 HA ALA A 42 0.867 9.442 -7.319 1.00 4.41 H new ATOM 0 HB1 ALA A 42 -1.178 9.565 -8.703 1.00 24.14 H new ATOM 0 HB2 ALA A 42 -1.033 7.995 -7.878 1.00 24.14 H new ATOM 0 HB3 ALA A 42 -2.165 9.222 -7.263 1.00 24.14 H new ATOM 648 N ALA A 43 -1.199 11.547 -5.849 1.00 32.43 N ATOM 649 CA ALA A 43 -1.456 12.962 -5.615 1.00 11.23 C ATOM 650 C ALA A 43 -0.383 13.574 -4.720 1.00 54.33 C ATOM 651 O ALA A 43 -0.100 14.770 -4.802 1.00 54.33 O ATOM 652 CB ALA A 43 -2.833 13.154 -4.997 1.00 74.41 C ATOM 0 H ALA A 43 -1.792 10.916 -5.310 1.00 32.43 H new ATOM 0 HA ALA A 43 -1.427 13.475 -6.576 1.00 11.23 H new ATOM 0 HB1 ALA A 43 -3.011 14.216 -4.828 1.00 74.41 H new ATOM 0 HB2 ALA A 43 -3.593 12.762 -5.673 1.00 74.41 H new ATOM 0 HB3 ALA A 43 -2.883 12.622 -4.047 1.00 74.41 H new ATOM 658 N LEU A 44 0.210 12.748 -3.866 1.00 61.02 N ATOM 659 CA LEU A 44 1.252 13.208 -2.955 1.00 2.40 C ATOM 660 C LEU A 44 2.331 13.980 -3.707 1.00 43.54 C ATOM 661 O LEU A 44 2.963 14.881 -3.155 1.00 51.52 O ATOM 662 CB LEU A 44 1.877 12.020 -2.221 1.00 52.51 C ATOM 663 CG LEU A 44 2.388 12.299 -0.807 1.00 63.42 C ATOM 664 CD1 LEU A 44 1.299 12.025 0.218 1.00 53.50 C ATOM 665 CD2 LEU A 44 3.623 11.460 -0.512 1.00 62.32 C ATOM 0 H LEU A 44 -0.013 11.756 -3.785 1.00 61.02 H new ATOM 0 HA LEU A 44 0.793 13.877 -2.227 1.00 2.40 H new ATOM 0 HB2 LEU A 44 1.137 11.221 -2.168 1.00 52.51 H new ATOM 0 HB3 LEU A 44 2.708 11.645 -2.819 1.00 52.51 H new ATOM 0 HG LEU A 44 2.663 13.352 -0.742 1.00 63.42 H new ATOM 0 HD11 LEU A 44 1.681 12.229 1.218 1.00 53.50 H new ATOM 0 HD12 LEU A 44 0.442 12.668 0.019 1.00 53.50 H new ATOM 0 HD13 LEU A 44 0.992 10.981 0.153 1.00 53.50 H new ATOM 0 HD21 LEU A 44 3.973 11.671 0.498 1.00 62.32 H new ATOM 0 HD22 LEU A 44 3.373 10.402 -0.596 1.00 62.32 H new ATOM 0 HD23 LEU A 44 4.408 11.705 -1.227 1.00 62.32 H new ATOM 677 N ARG A 45 2.536 13.623 -4.971 1.00 35.51 N ATOM 678 CA ARG A 45 3.537 14.282 -5.799 1.00 44.34 C ATOM 679 C ARG A 45 3.367 15.798 -5.756 1.00 15.04 C ATOM 680 O ARG A 45 4.297 16.529 -5.415 1.00 63.44 O ATOM 681 CB ARG A 45 3.440 13.789 -7.244 1.00 44.02 C ATOM 682 CG ARG A 45 4.255 12.535 -7.516 1.00 20.14 C ATOM 683 CD ARG A 45 3.771 11.816 -8.765 1.00 63.21 C ATOM 684 NE ARG A 45 4.723 10.804 -9.217 1.00 55.24 N ATOM 685 CZ ARG A 45 4.678 10.238 -10.418 1.00 42.44 C ATOM 686 NH1 ARG A 45 3.734 10.584 -11.283 1.00 44.02 N ATOM 687 NH2 ARG A 45 5.579 9.325 -10.757 1.00 5.33 N ATOM 0 H ARG A 45 2.021 12.880 -5.444 1.00 35.51 H new ATOM 0 HA ARG A 45 4.521 14.032 -5.402 1.00 44.34 H new ATOM 0 HB2 ARG A 45 2.395 13.592 -7.482 1.00 44.02 H new ATOM 0 HB3 ARG A 45 3.775 14.582 -7.913 1.00 44.02 H new ATOM 0 HG2 ARG A 45 5.306 12.801 -7.632 1.00 20.14 H new ATOM 0 HG3 ARG A 45 4.189 11.864 -6.660 1.00 20.14 H new ATOM 0 HD2 ARG A 45 2.809 11.344 -8.562 1.00 63.21 H new ATOM 0 HD3 ARG A 45 3.608 12.542 -9.561 1.00 63.21 H new ATOM 0 HE ARG A 45 5.462 10.517 -8.576 1.00 55.24 H new ATOM 0 HH11 ARG A 45 3.040 11.286 -11.027 1.00 44.02 H new ATOM 0 HH12 ARG A 45 3.702 10.148 -12.204 1.00 44.02 H new ATOM 0 HH21 ARG A 45 6.307 9.057 -10.095 1.00 5.33 H new ATOM 0 HH22 ARG A 45 5.543 8.891 -11.679 1.00 5.33 H new ATOM 701 N PHE A 46 2.171 16.264 -6.103 1.00 23.23 N ATOM 702 CA PHE A 46 1.879 17.692 -6.105 1.00 14.44 C ATOM 703 C PHE A 46 1.423 18.156 -4.724 1.00 43.10 C ATOM 704 O PHE A 46 1.666 19.296 -4.329 1.00 53.23 O ATOM 705 CB PHE A 46 0.802 18.013 -7.143 1.00 73.54 C ATOM 706 CG PHE A 46 1.317 18.033 -8.554 1.00 71.11 C ATOM 707 CD1 PHE A 46 1.042 16.988 -9.421 1.00 63.41 C ATOM 708 CD2 PHE A 46 2.076 19.097 -9.013 1.00 43.10 C ATOM 709 CE1 PHE A 46 1.515 17.003 -10.720 1.00 54.31 C ATOM 710 CE2 PHE A 46 2.551 19.119 -10.311 1.00 32.41 C ATOM 711 CZ PHE A 46 2.271 18.070 -11.165 1.00 73.11 C ATOM 0 H PHE A 46 1.389 15.673 -6.386 1.00 23.23 H new ATOM 0 HA PHE A 46 2.794 18.224 -6.365 1.00 14.44 H new ATOM 0 HB2 PHE A 46 0.003 17.275 -7.067 1.00 73.54 H new ATOM 0 HB3 PHE A 46 0.363 18.983 -6.911 1.00 73.54 H new ATOM 0 HD1 PHE A 46 0.451 16.152 -9.078 1.00 63.41 H new ATOM 0 HD2 PHE A 46 2.299 19.919 -8.349 1.00 43.10 H new ATOM 0 HE1 PHE A 46 1.294 16.182 -11.386 1.00 54.31 H new ATOM 0 HE2 PHE A 46 3.140 19.955 -10.657 1.00 32.41 H new ATOM 0 HZ PHE A 46 2.643 18.084 -12.179 1.00 73.11 H new ATOM 721 N ALA A 47 0.761 17.263 -3.995 1.00 45.41 N ATOM 722 CA ALA A 47 0.273 17.580 -2.659 1.00 21.54 C ATOM 723 C ALA A 47 1.424 17.935 -1.723 1.00 61.53 C ATOM 724 O ALA A 47 1.267 18.745 -0.811 1.00 22.03 O ATOM 725 CB ALA A 47 -0.524 16.411 -2.098 1.00 1.11 C ATOM 0 H ALA A 47 0.551 16.315 -4.307 1.00 45.41 H new ATOM 0 HA ALA A 47 -0.380 18.449 -2.734 1.00 21.54 H new ATOM 0 HB1 ALA A 47 -0.883 16.661 -1.100 1.00 1.11 H new ATOM 0 HB2 ALA A 47 -1.374 16.205 -2.748 1.00 1.11 H new ATOM 0 HB3 ALA A 47 0.114 15.529 -2.044 1.00 1.11 H new ATOM 731 N ALA A 48 2.580 17.322 -1.956 1.00 42.03 N ATOM 732 CA ALA A 48 3.758 17.575 -1.135 1.00 73.22 C ATOM 733 C ALA A 48 4.132 19.053 -1.153 1.00 21.13 C ATOM 734 O ALA A 48 4.724 19.563 -0.202 1.00 52.42 O ATOM 735 CB ALA A 48 4.927 16.727 -1.614 1.00 32.43 C ATOM 0 H ALA A 48 2.726 16.647 -2.706 1.00 42.03 H new ATOM 0 HA ALA A 48 3.521 17.300 -0.107 1.00 73.22 H new ATOM 0 HB1 ALA A 48 5.800 16.926 -0.992 1.00 32.43 H new ATOM 0 HB2 ALA A 48 4.664 15.672 -1.543 1.00 32.43 H new ATOM 0 HB3 ALA A 48 5.156 16.975 -2.650 1.00 32.43 H new ATOM 741 N GLU A 49 3.784 19.734 -2.240 1.00 11.22 N ATOM 742 CA GLU A 49 4.086 21.154 -2.380 1.00 74.11 C ATOM 743 C GLU A 49 3.070 22.004 -1.622 1.00 32.41 C ATOM 744 O GLU A 49 3.412 23.042 -1.058 1.00 44.32 O ATOM 745 CB GLU A 49 4.098 21.552 -3.858 1.00 23.25 C ATOM 746 CG GLU A 49 4.931 20.628 -4.730 1.00 24.54 C ATOM 747 CD GLU A 49 6.248 20.244 -4.082 1.00 52.01 C ATOM 748 OE1 GLU A 49 6.317 19.150 -3.483 1.00 42.23 O ATOM 749 OE2 GLU A 49 7.208 21.037 -4.174 1.00 30.03 O ATOM 0 H GLU A 49 3.293 19.326 -3.036 1.00 11.22 H new ATOM 0 HA GLU A 49 5.073 21.333 -1.954 1.00 74.11 H new ATOM 0 HB2 GLU A 49 3.074 21.564 -4.231 1.00 23.25 H new ATOM 0 HB3 GLU A 49 4.482 22.568 -3.949 1.00 23.25 H new ATOM 0 HG2 GLU A 49 4.360 19.725 -4.946 1.00 24.54 H new ATOM 0 HG3 GLU A 49 5.129 21.116 -5.685 1.00 24.54 H new ATOM 756 N GLU A 50 1.819 21.554 -1.614 1.00 71.43 N ATOM 757 CA GLU A 50 0.753 22.273 -0.927 1.00 2.31 C ATOM 758 C GLU A 50 1.062 22.412 0.561 1.00 20.11 C ATOM 759 O GLU A 50 0.644 23.373 1.206 1.00 12.44 O ATOM 760 CB GLU A 50 -0.584 21.553 -1.117 1.00 5.34 C ATOM 761 CG GLU A 50 -1.755 22.259 -0.454 1.00 43.44 C ATOM 762 CD GLU A 50 -1.888 23.705 -0.893 1.00 21.12 C ATOM 763 OE1 GLU A 50 -2.849 24.015 -1.628 1.00 0.14 O ATOM 764 OE2 GLU A 50 -1.032 24.525 -0.502 1.00 3.42 O ATOM 0 H GLU A 50 1.519 20.695 -2.075 1.00 71.43 H new ATOM 0 HA GLU A 50 0.684 23.271 -1.361 1.00 2.31 H new ATOM 0 HB2 GLU A 50 -0.786 21.455 -2.184 1.00 5.34 H new ATOM 0 HB3 GLU A 50 -0.504 20.543 -0.714 1.00 5.34 H new ATOM 0 HG2 GLU A 50 -2.676 21.726 -0.689 1.00 43.44 H new ATOM 0 HG3 GLU A 50 -1.632 22.221 0.628 1.00 43.44 H new ATOM 771 N PHE A 51 1.797 21.444 1.099 1.00 15.15 N ATOM 772 CA PHE A 51 2.161 21.456 2.511 1.00 13.35 C ATOM 773 C PHE A 51 3.637 21.797 2.689 1.00 4.04 C ATOM 774 O PHE A 51 4.059 22.241 3.756 1.00 1.04 O ATOM 775 CB PHE A 51 1.858 20.099 3.150 1.00 64.14 C ATOM 776 CG PHE A 51 1.030 20.195 4.399 1.00 61.01 C ATOM 777 CD1 PHE A 51 1.528 20.822 5.530 1.00 51.45 C ATOM 778 CD2 PHE A 51 -0.246 19.657 4.443 1.00 52.33 C ATOM 779 CE1 PHE A 51 0.768 20.913 6.681 1.00 61.13 C ATOM 780 CE2 PHE A 51 -1.011 19.745 5.591 1.00 44.22 C ATOM 781 CZ PHE A 51 -0.502 20.373 6.711 1.00 35.45 C ATOM 0 H PHE A 51 2.152 20.642 0.579 1.00 15.15 H new ATOM 0 HA PHE A 51 1.567 22.223 3.007 1.00 13.35 H new ATOM 0 HB2 PHE A 51 1.336 19.474 2.425 1.00 64.14 H new ATOM 0 HB3 PHE A 51 2.798 19.599 3.384 1.00 64.14 H new ATOM 0 HD1 PHE A 51 2.522 21.245 5.512 1.00 51.45 H new ATOM 0 HD2 PHE A 51 -0.648 19.163 3.570 1.00 52.33 H new ATOM 0 HE1 PHE A 51 1.167 21.406 7.555 1.00 61.13 H new ATOM 0 HE2 PHE A 51 -2.005 19.323 5.612 1.00 44.22 H new ATOM 0 HZ PHE A 51 -1.097 20.441 7.610 1.00 35.45 H new ATOM 791 N GLY A 52 4.419 21.585 1.635 1.00 70.22 N ATOM 792 CA GLY A 52 5.840 21.874 1.694 1.00 31.34 C ATOM 793 C GLY A 52 6.572 20.980 2.676 1.00 45.33 C ATOM 794 O GLY A 52 7.673 21.307 3.121 1.00 41.45 O ATOM 0 H GLY A 52 4.094 21.218 0.741 1.00 70.22 H new ATOM 0 HA2 GLY A 52 6.274 21.751 0.702 1.00 31.34 H new ATOM 0 HA3 GLY A 52 5.984 22.916 1.978 1.00 31.34 H new ATOM 798 N ILE A 53 5.961 19.851 3.015 1.00 31.33 N ATOM 799 CA ILE A 53 6.562 18.908 3.951 1.00 43.43 C ATOM 800 C ILE A 53 6.185 17.472 3.603 1.00 2.31 C ATOM 801 O ILE A 53 5.540 17.218 2.587 1.00 61.15 O ATOM 802 CB ILE A 53 6.134 19.203 5.400 1.00 11.23 C ATOM 803 CG1 ILE A 53 4.631 18.968 5.569 1.00 44.30 C ATOM 804 CG2 ILE A 53 6.498 20.631 5.780 1.00 23.54 C ATOM 805 CD1 ILE A 53 4.139 19.194 6.981 1.00 3.54 C ATOM 0 H ILE A 53 5.050 19.566 2.656 1.00 31.33 H new ATOM 0 HA ILE A 53 7.642 19.027 3.869 1.00 43.43 H new ATOM 0 HB ILE A 53 6.666 18.524 6.066 1.00 11.23 H new ATOM 0 HG12 ILE A 53 4.090 19.631 4.894 1.00 44.30 H new ATOM 0 HG13 ILE A 53 4.395 17.947 5.270 1.00 44.30 H new ATOM 0 HG21 ILE A 53 6.189 20.824 6.807 1.00 23.54 H new ATOM 0 HG22 ILE A 53 7.576 20.767 5.694 1.00 23.54 H new ATOM 0 HG23 ILE A 53 5.990 21.326 5.111 1.00 23.54 H new ATOM 0 HD11 ILE A 53 3.066 19.009 7.026 1.00 3.54 H new ATOM 0 HD12 ILE A 53 4.653 18.513 7.659 1.00 3.54 H new ATOM 0 HD13 ILE A 53 4.343 20.223 7.277 1.00 3.54 H new ATOM 817 N ALA A 54 6.591 16.537 4.456 1.00 71.14 N ATOM 818 CA ALA A 54 6.292 15.126 4.241 1.00 44.50 C ATOM 819 C ALA A 54 6.220 14.373 5.565 1.00 50.02 C ATOM 820 O ALA A 54 7.159 13.674 5.944 1.00 24.02 O ATOM 821 CB ALA A 54 7.337 14.498 3.330 1.00 2.55 C ATOM 0 H ALA A 54 7.127 16.731 5.302 1.00 71.14 H new ATOM 0 HA ALA A 54 5.317 15.055 3.759 1.00 44.50 H new ATOM 0 HB1 ALA A 54 7.101 13.445 3.178 1.00 2.55 H new ATOM 0 HB2 ALA A 54 7.338 15.012 2.369 1.00 2.55 H new ATOM 0 HB3 ALA A 54 8.321 14.587 3.790 1.00 2.55 H new ATOM 827 N SER A 55 5.099 14.521 6.264 1.00 62.41 N ATOM 828 CA SER A 55 4.906 13.857 7.548 1.00 4.31 C ATOM 829 C SER A 55 3.533 14.183 8.127 1.00 10.21 C ATOM 830 O SER A 55 2.634 13.343 8.133 1.00 34.43 O ATOM 831 CB SER A 55 6.000 14.277 8.532 1.00 10.32 C ATOM 832 OG SER A 55 6.871 13.197 8.818 1.00 65.04 O ATOM 0 H SER A 55 4.311 15.095 5.963 1.00 62.41 H new ATOM 0 HA SER A 55 4.966 12.781 7.386 1.00 4.31 H new ATOM 0 HB2 SER A 55 6.570 15.107 8.114 1.00 10.32 H new ATOM 0 HB3 SER A 55 5.545 14.635 9.455 1.00 10.32 H new ATOM 0 HG SER A 55 7.307 12.901 7.992 1.00 65.04 H new ATOM 838 N VAL A 56 3.379 15.411 8.614 1.00 72.34 N ATOM 839 CA VAL A 56 2.116 15.850 9.194 1.00 34.22 C ATOM 840 C VAL A 56 0.987 15.782 8.171 1.00 5.11 C ATOM 841 O VAL A 56 -0.190 15.763 8.530 1.00 1.33 O ATOM 842 CB VAL A 56 2.217 17.288 9.736 1.00 51.10 C ATOM 843 CG1 VAL A 56 0.968 17.651 10.526 1.00 64.44 C ATOM 844 CG2 VAL A 56 3.464 17.448 10.592 1.00 62.01 C ATOM 0 H VAL A 56 4.114 16.119 8.618 1.00 72.34 H new ATOM 0 HA VAL A 56 1.895 15.173 10.019 1.00 34.22 H new ATOM 0 HB VAL A 56 2.294 17.971 8.890 1.00 51.10 H new ATOM 0 HG11 VAL A 56 1.058 18.671 10.901 1.00 64.44 H new ATOM 0 HG12 VAL A 56 0.094 17.578 9.879 1.00 64.44 H new ATOM 0 HG13 VAL A 56 0.856 16.964 11.365 1.00 64.44 H new ATOM 0 HG21 VAL A 56 3.519 18.470 10.967 1.00 62.01 H new ATOM 0 HG22 VAL A 56 3.420 16.755 11.432 1.00 62.01 H new ATOM 0 HG23 VAL A 56 4.348 17.233 9.991 1.00 62.01 H new ATOM 854 N ASP A 57 1.355 15.745 6.895 1.00 1.11 N ATOM 855 CA ASP A 57 0.374 15.678 5.818 1.00 31.33 C ATOM 856 C ASP A 57 -0.424 14.379 5.891 1.00 40.53 C ATOM 857 O ASP A 57 -1.512 14.276 5.325 1.00 72.32 O ATOM 858 CB ASP A 57 1.067 15.789 4.460 1.00 45.43 C ATOM 859 CG ASP A 57 0.121 15.534 3.304 1.00 73.04 C ATOM 860 OD1 ASP A 57 0.085 14.388 2.807 1.00 4.41 O ATOM 861 OD2 ASP A 57 -0.586 16.479 2.896 1.00 44.43 O ATOM 0 H ASP A 57 2.325 15.760 6.581 1.00 1.11 H new ATOM 0 HA ASP A 57 -0.315 16.515 5.935 1.00 31.33 H new ATOM 0 HB2 ASP A 57 1.501 16.783 4.357 1.00 45.43 H new ATOM 0 HB3 ASP A 57 1.890 15.076 4.416 1.00 45.43 H new ATOM 866 N SER A 58 0.125 13.391 6.590 1.00 43.40 N ATOM 867 CA SER A 58 -0.533 12.098 6.732 1.00 22.03 C ATOM 868 C SER A 58 -1.892 12.251 7.409 1.00 43.31 C ATOM 869 O SER A 58 -2.812 11.474 7.160 1.00 75.05 O ATOM 870 CB SER A 58 0.346 11.141 7.539 1.00 23.24 C ATOM 871 OG SER A 58 1.233 10.428 6.695 1.00 44.23 O ATOM 0 H SER A 58 1.024 13.461 7.067 1.00 43.40 H new ATOM 0 HA SER A 58 -0.688 11.685 5.735 1.00 22.03 H new ATOM 0 HB2 SER A 58 0.916 11.703 8.279 1.00 23.24 H new ATOM 0 HB3 SER A 58 -0.283 10.439 8.087 1.00 23.24 H new ATOM 0 HG SER A 58 1.785 9.825 7.235 1.00 44.23 H new ATOM 877 N MET A 59 -2.008 13.260 8.266 1.00 31.15 N ATOM 878 CA MET A 59 -3.254 13.517 8.979 1.00 74.22 C ATOM 879 C MET A 59 -3.355 14.983 9.386 1.00 13.33 C ATOM 880 O MET A 59 -3.283 15.315 10.569 1.00 24.21 O ATOM 881 CB MET A 59 -3.353 12.623 10.217 1.00 45.51 C ATOM 882 CG MET A 59 -3.762 11.194 9.904 1.00 71.53 C ATOM 883 SD MET A 59 -4.797 10.470 11.191 1.00 63.43 S ATOM 884 CE MET A 59 -5.177 8.877 10.464 1.00 43.31 C ATOM 0 H MET A 59 -1.255 13.913 8.484 1.00 31.15 H new ATOM 0 HA MET A 59 -4.081 13.287 8.308 1.00 74.22 H new ATOM 0 HB2 MET A 59 -2.389 12.613 10.726 1.00 45.51 H new ATOM 0 HB3 MET A 59 -4.075 13.055 10.910 1.00 45.51 H new ATOM 0 HG2 MET A 59 -4.300 11.173 8.956 1.00 71.53 H new ATOM 0 HG3 MET A 59 -2.868 10.584 9.776 1.00 71.53 H new ATOM 0 HE1 MET A 59 -5.813 8.309 11.143 1.00 43.31 H new ATOM 0 HE2 MET A 59 -5.697 9.024 9.518 1.00 43.31 H new ATOM 0 HE3 MET A 59 -4.252 8.327 10.288 1.00 43.31 H new ATOM 894 N ALA A 60 -3.523 15.857 8.399 1.00 61.01 N ATOM 895 CA ALA A 60 -3.635 17.287 8.656 1.00 54.45 C ATOM 896 C ALA A 60 -4.664 17.931 7.732 1.00 13.45 C ATOM 897 O ALA A 60 -4.312 18.673 6.816 1.00 64.33 O ATOM 898 CB ALA A 60 -2.281 17.961 8.491 1.00 12.23 C ATOM 0 H ALA A 60 -3.585 15.599 7.414 1.00 61.01 H new ATOM 0 HA ALA A 60 -3.972 17.421 9.684 1.00 54.45 H new ATOM 0 HB1 ALA A 60 -2.380 19.029 8.686 1.00 12.23 H new ATOM 0 HB2 ALA A 60 -1.571 17.528 9.195 1.00 12.23 H new ATOM 0 HB3 ALA A 60 -1.921 17.810 7.473 1.00 12.23 H new ATOM 904 N ALA A 61 -5.938 17.643 7.981 1.00 63.14 N ATOM 905 CA ALA A 61 -7.018 18.195 7.172 1.00 4.33 C ATOM 906 C ALA A 61 -8.364 18.031 7.869 1.00 71.42 C ATOM 907 O ALA A 61 -8.548 17.125 8.683 1.00 61.45 O ATOM 908 CB ALA A 61 -7.045 17.532 5.803 1.00 23.23 C ATOM 0 H ALA A 61 -6.247 17.031 8.736 1.00 63.14 H new ATOM 0 HA ALA A 61 -6.833 19.261 7.042 1.00 4.33 H new ATOM 0 HB1 ALA A 61 -7.856 17.954 5.210 1.00 23.23 H new ATOM 0 HB2 ALA A 61 -6.096 17.706 5.296 1.00 23.23 H new ATOM 0 HB3 ALA A 61 -7.202 16.460 5.921 1.00 23.23 H new ATOM 914 N THR A 62 -9.305 18.913 7.545 1.00 24.21 N ATOM 915 CA THR A 62 -10.634 18.866 8.141 1.00 3.30 C ATOM 916 C THR A 62 -11.713 19.146 7.101 1.00 4.31 C ATOM 917 O THR A 62 -11.526 19.967 6.202 1.00 65.32 O ATOM 918 CB THR A 62 -10.770 19.882 9.291 1.00 25.33 C ATOM 919 OG1 THR A 62 -10.189 21.134 8.911 1.00 65.15 O ATOM 920 CG2 THR A 62 -10.093 19.365 10.552 1.00 45.21 C ATOM 0 H THR A 62 -9.171 19.668 6.873 1.00 24.21 H new ATOM 0 HA THR A 62 -10.767 17.859 8.537 1.00 3.30 H new ATOM 0 HB THR A 62 -11.831 20.023 9.498 1.00 25.33 H new ATOM 0 HG1 THR A 62 -10.281 21.774 9.647 1.00 65.15 H new ATOM 0 HG21 THR A 62 -10.202 20.099 11.350 1.00 45.21 H new ATOM 0 HG22 THR A 62 -10.557 18.427 10.856 1.00 45.21 H new ATOM 0 HG23 THR A 62 -9.034 19.198 10.354 1.00 45.21 H new ATOM 928 N THR A 63 -12.844 18.460 7.229 1.00 11.12 N ATOM 929 CA THR A 63 -13.953 18.635 6.300 1.00 33.32 C ATOM 930 C THR A 63 -14.800 19.846 6.676 1.00 64.32 C ATOM 931 O THR A 63 -14.718 20.350 7.796 1.00 50.11 O ATOM 932 CB THR A 63 -14.854 17.386 6.259 1.00 20.25 C ATOM 933 OG1 THR A 63 -14.060 16.204 6.416 1.00 15.23 O ATOM 934 CG2 THR A 63 -15.623 17.316 4.949 1.00 33.00 C ATOM 0 H THR A 63 -13.016 17.778 7.967 1.00 11.12 H new ATOM 0 HA THR A 63 -13.517 18.792 5.314 1.00 33.32 H new ATOM 0 HB THR A 63 -15.570 17.454 7.078 1.00 20.25 H new ATOM 0 HG1 THR A 63 -13.643 15.974 5.559 1.00 15.23 H new ATOM 0 HG21 THR A 63 -16.252 16.426 4.943 1.00 33.00 H new ATOM 0 HG22 THR A 63 -16.248 18.203 4.846 1.00 33.00 H new ATOM 0 HG23 THR A 63 -14.921 17.269 4.117 1.00 33.00 H new ATOM 942 N LYS A 64 -15.613 20.308 5.733 1.00 53.42 N ATOM 943 CA LYS A 64 -16.477 21.460 5.965 1.00 74.34 C ATOM 944 C LYS A 64 -17.483 21.171 7.074 1.00 31.54 C ATOM 945 O LYS A 64 -17.960 22.085 7.746 1.00 12.14 O ATOM 946 CB LYS A 64 -17.216 21.836 4.678 1.00 2.31 C ATOM 947 CG LYS A 64 -16.315 21.903 3.457 1.00 0.10 C ATOM 948 CD LYS A 64 -16.395 23.260 2.778 1.00 13.24 C ATOM 949 CE LYS A 64 -15.876 24.367 3.683 1.00 43.33 C ATOM 950 NZ LYS A 64 -16.892 25.435 3.892 1.00 51.40 N ATOM 0 H LYS A 64 -15.692 19.903 4.800 1.00 53.42 H new ATOM 0 HA LYS A 64 -15.850 22.296 6.275 1.00 74.34 H new ATOM 0 HB2 LYS A 64 -18.006 21.107 4.497 1.00 2.31 H new ATOM 0 HB3 LYS A 64 -17.700 22.803 4.816 1.00 2.31 H new ATOM 0 HG2 LYS A 64 -15.285 21.703 3.753 1.00 0.10 H new ATOM 0 HG3 LYS A 64 -16.600 21.124 2.750 1.00 0.10 H new ATOM 0 HD2 LYS A 64 -15.815 23.241 1.855 1.00 13.24 H new ATOM 0 HD3 LYS A 64 -17.428 23.469 2.501 1.00 13.24 H new ATOM 0 HE2 LYS A 64 -15.590 23.944 4.646 1.00 43.33 H new ATOM 0 HE3 LYS A 64 -14.977 24.802 3.246 1.00 43.33 H new ATOM 0 HZ1 LYS A 64 -16.500 26.170 4.514 1.00 51.40 H new ATOM 0 HZ2 LYS A 64 -17.147 25.856 2.976 1.00 51.40 H new ATOM 0 HZ3 LYS A 64 -17.741 25.026 4.332 1.00 51.40 H new ATOM 964 N ASP A 65 -17.799 19.894 7.262 1.00 55.12 N ATOM 965 CA ASP A 65 -18.747 19.484 8.292 1.00 4.43 C ATOM 966 C ASP A 65 -18.100 19.529 9.673 1.00 11.33 C ATOM 967 O ASP A 65 -18.787 19.629 10.689 1.00 74.03 O ATOM 968 CB ASP A 65 -19.268 18.076 8.005 1.00 22.50 C ATOM 969 CG ASP A 65 -20.769 17.965 8.187 1.00 2.15 C ATOM 970 OD1 ASP A 65 -21.510 18.583 7.395 1.00 52.22 O ATOM 971 OD2 ASP A 65 -21.202 17.260 9.122 1.00 30.13 O ATOM 0 H ASP A 65 -17.413 19.125 6.715 1.00 55.12 H new ATOM 0 HA ASP A 65 -19.584 20.182 8.279 1.00 4.43 H new ATOM 0 HB2 ASP A 65 -19.007 17.796 6.984 1.00 22.50 H new ATOM 0 HB3 ASP A 65 -18.771 17.366 8.667 1.00 22.50 H new ATOM 976 N GLY A 66 -16.773 19.454 9.703 1.00 62.22 N ATOM 977 CA GLY A 66 -16.056 19.486 10.964 1.00 2.11 C ATOM 978 C GLY A 66 -14.945 18.457 11.026 1.00 62.20 C ATOM 979 O GLY A 66 -13.765 18.800 10.947 1.00 24.44 O ATOM 0 H GLY A 66 -16.182 19.372 8.876 1.00 62.22 H new ATOM 0 HA2 GLY A 66 -15.635 20.480 11.114 1.00 2.11 H new ATOM 0 HA3 GLY A 66 -16.756 19.310 11.781 1.00 2.11 H new ATOM 983 N THR A 67 -15.321 17.190 11.169 1.00 32.30 N ATOM 984 CA THR A 67 -14.348 16.107 11.245 1.00 52.35 C ATOM 985 C THR A 67 -13.881 15.690 9.855 1.00 44.42 C ATOM 986 O THR A 67 -14.686 15.310 9.006 1.00 31.14 O ATOM 987 CB THR A 67 -14.930 14.878 11.968 1.00 11.32 C ATOM 988 OG1 THR A 67 -16.340 14.793 11.733 1.00 40.15 O ATOM 989 CG2 THR A 67 -14.665 14.955 13.464 1.00 4.21 C ATOM 0 H THR A 67 -16.293 16.888 11.235 1.00 32.30 H new ATOM 0 HA THR A 67 -13.498 16.485 11.814 1.00 52.35 H new ATOM 0 HB THR A 67 -14.442 13.987 11.573 1.00 11.32 H new ATOM 0 HG1 THR A 67 -16.702 14.008 12.195 1.00 40.15 H new ATOM 0 HG21 THR A 67 -15.085 14.076 13.954 1.00 4.21 H new ATOM 0 HG22 THR A 67 -13.590 14.990 13.642 1.00 4.21 H new ATOM 0 HG23 THR A 67 -15.130 15.854 13.870 1.00 4.21 H new ATOM 997 N GLY A 68 -12.572 15.764 9.629 1.00 74.14 N ATOM 998 CA GLY A 68 -12.020 15.390 8.340 1.00 53.14 C ATOM 999 C GLY A 68 -10.802 14.497 8.468 1.00 41.54 C ATOM 1000 O GLY A 68 -9.700 14.880 8.073 1.00 70.13 O ATOM 0 H GLY A 68 -11.885 16.076 10.315 1.00 74.14 H new ATOM 0 HA2 GLY A 68 -12.784 14.876 7.756 1.00 53.14 H new ATOM 0 HA3 GLY A 68 -11.750 16.291 7.789 1.00 53.14 H new ATOM 1004 N ILE A 69 -10.999 13.306 9.022 1.00 42.10 N ATOM 1005 CA ILE A 69 -9.907 12.358 9.201 1.00 23.43 C ATOM 1006 C ILE A 69 -9.610 11.609 7.906 1.00 14.21 C ATOM 1007 O ILE A 69 -10.522 11.143 7.224 1.00 32.25 O ATOM 1008 CB ILE A 69 -10.224 11.337 10.310 1.00 70.32 C ATOM 1009 CG1 ILE A 69 -10.452 12.053 11.643 1.00 71.33 C ATOM 1010 CG2 ILE A 69 -9.097 10.322 10.434 1.00 74.25 C ATOM 1011 CD1 ILE A 69 -9.245 12.823 12.129 1.00 43.41 C ATOM 0 H ILE A 69 -11.905 12.975 9.355 1.00 42.10 H new ATOM 0 HA ILE A 69 -9.031 12.938 9.491 1.00 23.43 H new ATOM 0 HB ILE A 69 -11.138 10.806 10.043 1.00 70.32 H new ATOM 0 HG12 ILE A 69 -11.293 12.739 11.539 1.00 71.33 H new ATOM 0 HG13 ILE A 69 -10.732 11.318 12.398 1.00 71.33 H new ATOM 0 HG21 ILE A 69 -9.336 9.607 11.222 1.00 74.25 H new ATOM 0 HG22 ILE A 69 -8.978 9.793 9.488 1.00 74.25 H new ATOM 0 HG23 ILE A 69 -8.169 10.837 10.681 1.00 74.25 H new ATOM 0 HD11 ILE A 69 -9.479 13.305 13.078 1.00 43.41 H new ATOM 0 HD12 ILE A 69 -8.408 12.139 12.266 1.00 43.41 H new ATOM 0 HD13 ILE A 69 -8.977 13.582 11.394 1.00 43.41 H new ATOM 1023 N ASN A 70 -8.328 11.497 7.574 1.00 54.11 N ATOM 1024 CA ASN A 70 -7.911 10.804 6.361 1.00 71.34 C ATOM 1025 C ASN A 70 -7.227 9.482 6.697 1.00 4.43 C ATOM 1026 O ASN A 70 -6.000 9.385 6.747 1.00 73.10 O ATOM 1027 CB ASN A 70 -6.966 11.687 5.543 1.00 31.31 C ATOM 1028 CG ASN A 70 -7.294 13.161 5.674 1.00 14.44 C ATOM 1029 OD1 ASN A 70 -8.004 13.727 4.843 1.00 55.10 O ATOM 1030 ND2 ASN A 70 -6.777 13.791 6.723 1.00 41.43 N ATOM 0 H ASN A 70 -7.560 11.877 8.128 1.00 54.11 H new ATOM 0 HA ASN A 70 -8.802 10.592 5.770 1.00 71.34 H new ATOM 0 HB2 ASN A 70 -5.940 11.516 5.869 1.00 31.31 H new ATOM 0 HB3 ASN A 70 -7.020 11.397 4.494 1.00 31.31 H new ATOM 0 HD21 ASN A 70 -6.963 14.784 6.864 1.00 41.43 H new ATOM 0 HD22 ASN A 70 -6.194 13.282 7.387 1.00 41.43 H new ATOM 1037 N PRO A 71 -8.037 8.440 6.934 1.00 63.23 N ATOM 1038 CA PRO A 71 -7.532 7.105 7.269 1.00 63.05 C ATOM 1039 C PRO A 71 -6.847 6.430 6.085 1.00 53.34 C ATOM 1040 O PRO A 71 -5.737 5.914 6.209 1.00 12.11 O ATOM 1041 CB PRO A 71 -8.795 6.337 7.665 1.00 71.13 C ATOM 1042 CG PRO A 71 -9.902 7.034 6.951 1.00 65.43 C ATOM 1043 CD PRO A 71 -9.508 8.484 6.892 1.00 60.32 C ATOM 0 HA PRO A 71 -6.775 7.141 8.052 1.00 63.05 H new ATOM 0 HB2 PRO A 71 -8.731 5.290 7.369 1.00 71.13 H new ATOM 0 HB3 PRO A 71 -8.947 6.355 8.744 1.00 71.13 H new ATOM 0 HG2 PRO A 71 -10.039 6.626 5.950 1.00 65.43 H new ATOM 0 HG3 PRO A 71 -10.847 6.908 7.479 1.00 65.43 H new ATOM 0 HD2 PRO A 71 -9.870 8.962 5.982 1.00 60.32 H new ATOM 0 HD3 PRO A 71 -9.917 9.046 7.731 1.00 60.32 H new ATOM 1051 N ALA A 72 -7.517 6.439 4.937 1.00 62.34 N ATOM 1052 CA ALA A 72 -6.971 5.830 3.730 1.00 75.42 C ATOM 1053 C ALA A 72 -6.596 6.891 2.701 1.00 22.30 C ATOM 1054 O ALA A 72 -5.697 6.686 1.886 1.00 5.32 O ATOM 1055 CB ALA A 72 -7.970 4.847 3.137 1.00 54.01 C ATOM 0 H ALA A 72 -8.438 6.861 4.818 1.00 62.34 H new ATOM 0 HA ALA A 72 -6.064 5.290 4.003 1.00 75.42 H new ATOM 0 HB1 ALA A 72 -7.549 4.400 2.236 1.00 54.01 H new ATOM 0 HB2 ALA A 72 -8.186 4.064 3.864 1.00 54.01 H new ATOM 0 HB3 ALA A 72 -8.891 5.372 2.885 1.00 54.01 H new ATOM 1061 N GLN A 73 -7.291 8.023 2.744 1.00 21.35 N ATOM 1062 CA GLN A 73 -7.030 9.115 1.814 1.00 31.22 C ATOM 1063 C GLN A 73 -7.154 8.641 0.370 1.00 52.01 C ATOM 1064 O GLN A 73 -6.600 9.251 -0.545 1.00 54.23 O ATOM 1065 CB GLN A 73 -5.636 9.696 2.055 1.00 64.22 C ATOM 1066 CG GLN A 73 -5.232 9.721 3.520 1.00 3.41 C ATOM 1067 CD GLN A 73 -4.452 10.968 3.889 1.00 41.12 C ATOM 1068 OE1 GLN A 73 -4.867 12.087 3.585 1.00 73.32 O ATOM 1069 NE2 GLN A 73 -3.314 10.782 4.548 1.00 73.32 N ATOM 0 H GLN A 73 -8.039 8.208 3.413 1.00 21.35 H new ATOM 0 HA GLN A 73 -7.774 9.892 1.987 1.00 31.22 H new ATOM 0 HB2 GLN A 73 -4.906 9.111 1.495 1.00 64.22 H new ATOM 0 HB3 GLN A 73 -5.601 10.711 1.660 1.00 64.22 H new ATOM 0 HG2 GLN A 73 -6.126 9.659 4.141 1.00 3.41 H new ATOM 0 HG3 GLN A 73 -4.629 8.841 3.742 1.00 3.41 H new ATOM 0 HE21 GLN A 73 -3.007 9.837 4.780 1.00 73.32 H new ATOM 0 HE22 GLN A 73 -2.747 11.584 4.822 1.00 73.32 H new ATOM 1078 N THR A 74 -7.885 7.548 0.171 1.00 2.14 N ATOM 1079 CA THR A 74 -8.081 6.991 -1.161 1.00 45.21 C ATOM 1080 C THR A 74 -9.143 7.768 -1.931 1.00 22.41 C ATOM 1081 O THR A 74 -9.943 8.493 -1.342 1.00 52.50 O ATOM 1082 CB THR A 74 -8.492 5.508 -1.095 1.00 44.24 C ATOM 1083 OG1 THR A 74 -7.870 4.877 0.030 1.00 71.04 O ATOM 1084 CG2 THR A 74 -8.099 4.781 -2.372 1.00 70.34 C ATOM 0 H THR A 74 -8.351 7.031 0.917 1.00 2.14 H new ATOM 0 HA THR A 74 -7.127 7.073 -1.681 1.00 45.21 H new ATOM 0 HB THR A 74 -9.575 5.458 -0.986 1.00 44.24 H new ATOM 0 HG1 THR A 74 -8.137 3.935 0.066 1.00 71.04 H new ATOM 0 HG21 THR A 74 -8.399 3.735 -2.303 1.00 70.34 H new ATOM 0 HG22 THR A 74 -8.597 5.246 -3.223 1.00 70.34 H new ATOM 0 HG23 THR A 74 -7.019 4.840 -2.507 1.00 70.34 H new ATOM 1092 N ALA A 75 -9.145 7.609 -3.250 1.00 42.35 N ATOM 1093 CA ALA A 75 -10.111 8.294 -4.101 1.00 31.35 C ATOM 1094 C ALA A 75 -11.536 7.867 -3.766 1.00 32.43 C ATOM 1095 O ALA A 75 -12.443 8.695 -3.697 1.00 40.12 O ATOM 1096 CB ALA A 75 -9.808 8.024 -5.567 1.00 0.20 C ATOM 0 H ALA A 75 -8.489 7.012 -3.753 1.00 42.35 H new ATOM 0 HA ALA A 75 -10.027 9.365 -3.916 1.00 31.35 H new ATOM 0 HB1 ALA A 75 -10.537 8.542 -6.191 1.00 0.20 H new ATOM 0 HB2 ALA A 75 -8.807 8.384 -5.804 1.00 0.20 H new ATOM 0 HB3 ALA A 75 -9.863 6.952 -5.758 1.00 0.20 H new ATOM 1102 N GLY A 76 -11.727 6.567 -3.559 1.00 24.04 N ATOM 1103 CA GLY A 76 -13.044 6.053 -3.234 1.00 74.24 C ATOM 1104 C GLY A 76 -13.533 6.524 -1.879 1.00 71.30 C ATOM 1105 O GLY A 76 -14.716 6.815 -1.705 1.00 64.02 O ATOM 0 H GLY A 76 -10.993 5.861 -3.611 1.00 24.04 H new ATOM 0 HA2 GLY A 76 -13.752 6.366 -4.001 1.00 74.24 H new ATOM 0 HA3 GLY A 76 -13.019 4.963 -3.249 1.00 74.24 H new ATOM 1109 N ASN A 77 -12.621 6.597 -0.915 1.00 63.13 N ATOM 1110 CA ASN A 77 -12.966 7.034 0.433 1.00 71.54 C ATOM 1111 C ASN A 77 -13.242 8.534 0.464 1.00 35.45 C ATOM 1112 O ASN A 77 -14.340 8.966 0.817 1.00 43.50 O ATOM 1113 CB ASN A 77 -11.837 6.691 1.407 1.00 35.31 C ATOM 1114 CG ASN A 77 -12.042 5.346 2.079 1.00 41.53 C ATOM 1115 OD1 ASN A 77 -12.753 5.241 3.078 1.00 2.23 O ATOM 1116 ND2 ASN A 77 -11.417 4.311 1.531 1.00 73.51 N ATOM 0 H ASN A 77 -11.637 6.359 -1.042 1.00 63.13 H new ATOM 0 HA ASN A 77 -13.872 6.510 0.738 1.00 71.54 H new ATOM 0 HB2 ASN A 77 -10.888 6.686 0.871 1.00 35.31 H new ATOM 0 HB3 ASN A 77 -11.769 7.468 2.168 1.00 35.31 H new ATOM 0 HD21 ASN A 77 -11.516 3.381 1.938 1.00 73.51 H new ATOM 0 HD22 ASN A 77 -10.838 4.446 0.702 1.00 73.51 H new ATOM 1123 N VAL A 78 -12.239 9.323 0.093 1.00 32.30 N ATOM 1124 CA VAL A 78 -12.374 10.774 0.077 1.00 1.41 C ATOM 1125 C VAL A 78 -13.583 11.205 -0.745 1.00 51.14 C ATOM 1126 O VAL A 78 -14.170 12.260 -0.502 1.00 24.24 O ATOM 1127 CB VAL A 78 -11.112 11.449 -0.493 1.00 72.14 C ATOM 1128 CG1 VAL A 78 -9.877 11.014 0.281 1.00 74.41 C ATOM 1129 CG2 VAL A 78 -10.962 11.132 -1.974 1.00 14.32 C ATOM 0 H VAL A 78 -11.324 8.981 -0.201 1.00 32.30 H new ATOM 0 HA VAL A 78 -12.511 11.090 1.111 1.00 1.41 H new ATOM 0 HB VAL A 78 -11.218 12.528 -0.384 1.00 72.14 H new ATOM 0 HG11 VAL A 78 -8.996 11.501 -0.136 1.00 74.41 H new ATOM 0 HG12 VAL A 78 -9.986 11.296 1.328 1.00 74.41 H new ATOM 0 HG13 VAL A 78 -9.763 9.933 0.207 1.00 74.41 H new ATOM 0 HG21 VAL A 78 -10.066 11.617 -2.361 1.00 14.32 H new ATOM 0 HG22 VAL A 78 -10.878 10.054 -2.109 1.00 14.32 H new ATOM 0 HG23 VAL A 78 -11.835 11.499 -2.515 1.00 14.32 H new ATOM 1139 N PHE A 79 -13.952 10.382 -1.721 1.00 61.41 N ATOM 1140 CA PHE A 79 -15.092 10.677 -2.581 1.00 41.20 C ATOM 1141 C PHE A 79 -16.347 10.932 -1.752 1.00 11.13 C ATOM 1142 O PHE A 79 -17.059 11.912 -1.969 1.00 4.42 O ATOM 1143 CB PHE A 79 -15.336 9.523 -3.555 1.00 31.52 C ATOM 1144 CG PHE A 79 -16.616 9.653 -4.330 1.00 61.32 C ATOM 1145 CD1 PHE A 79 -16.655 10.375 -5.512 1.00 20.10 C ATOM 1146 CD2 PHE A 79 -17.780 9.053 -3.877 1.00 10.42 C ATOM 1147 CE1 PHE A 79 -17.831 10.496 -6.228 1.00 41.42 C ATOM 1148 CE2 PHE A 79 -18.959 9.171 -4.589 1.00 3.12 C ATOM 1149 CZ PHE A 79 -18.985 9.894 -5.765 1.00 45.52 C ATOM 0 H PHE A 79 -13.478 9.505 -1.936 1.00 61.41 H new ATOM 0 HA PHE A 79 -14.863 11.579 -3.148 1.00 41.20 H new ATOM 0 HB2 PHE A 79 -14.502 9.466 -4.254 1.00 31.52 H new ATOM 0 HB3 PHE A 79 -15.351 8.586 -2.999 1.00 31.52 H new ATOM 0 HD1 PHE A 79 -15.756 10.849 -5.878 1.00 20.10 H new ATOM 0 HD2 PHE A 79 -17.766 8.487 -2.957 1.00 10.42 H new ATOM 0 HE1 PHE A 79 -17.848 11.061 -7.149 1.00 41.42 H new ATOM 0 HE2 PHE A 79 -19.859 8.698 -4.226 1.00 3.12 H new ATOM 0 HZ PHE A 79 -19.906 9.989 -6.322 1.00 45.52 H new ATOM 1159 N MET A 80 -16.612 10.042 -0.801 1.00 70.33 N ATOM 1160 CA MET A 80 -17.781 10.170 0.061 1.00 2.13 C ATOM 1161 C MET A 80 -17.415 10.855 1.374 1.00 22.54 C ATOM 1162 O MET A 80 -18.282 11.365 2.084 1.00 73.15 O ATOM 1163 CB MET A 80 -18.388 8.794 0.342 1.00 41.12 C ATOM 1164 CG MET A 80 -19.904 8.809 0.450 1.00 10.41 C ATOM 1165 SD MET A 80 -20.634 7.179 0.207 1.00 73.12 S ATOM 1166 CE MET A 80 -21.797 7.522 -1.112 1.00 22.10 C ATOM 0 H MET A 80 -16.033 9.225 -0.608 1.00 70.33 H new ATOM 0 HA MET A 80 -18.518 10.785 -0.457 1.00 2.13 H new ATOM 0 HB2 MET A 80 -18.095 8.108 -0.453 1.00 41.12 H new ATOM 0 HB3 MET A 80 -17.970 8.404 1.270 1.00 41.12 H new ATOM 0 HG2 MET A 80 -20.191 9.189 1.431 1.00 10.41 H new ATOM 0 HG3 MET A 80 -20.310 9.499 -0.290 1.00 10.41 H new ATOM 0 HE1 MET A 80 -22.329 6.608 -1.375 1.00 22.10 H new ATOM 0 HE2 MET A 80 -22.512 8.275 -0.780 1.00 22.10 H new ATOM 0 HE3 MET A 80 -21.259 7.893 -1.984 1.00 22.10 H new ATOM 1176 N LYS A 81 -16.125 10.862 1.693 1.00 21.43 N ATOM 1177 CA LYS A 81 -15.643 11.484 2.921 1.00 71.03 C ATOM 1178 C LYS A 81 -15.758 13.003 2.842 1.00 72.10 C ATOM 1179 O LYS A 81 -16.398 13.631 3.686 1.00 41.12 O ATOM 1180 CB LYS A 81 -14.189 11.085 3.182 1.00 20.04 C ATOM 1181 CG LYS A 81 -13.813 11.086 4.654 1.00 35.01 C ATOM 1182 CD LYS A 81 -14.498 9.956 5.405 1.00 64.10 C ATOM 1183 CE LYS A 81 -14.024 8.595 4.917 1.00 53.45 C ATOM 1184 NZ LYS A 81 -14.037 7.580 6.006 1.00 62.03 N ATOM 0 H LYS A 81 -15.394 10.444 1.118 1.00 21.43 H new ATOM 0 HA LYS A 81 -16.263 11.132 3.745 1.00 71.03 H new ATOM 0 HB2 LYS A 81 -14.015 10.090 2.772 1.00 20.04 H new ATOM 0 HB3 LYS A 81 -13.531 11.770 2.647 1.00 20.04 H new ATOM 0 HG2 LYS A 81 -12.732 10.988 4.754 1.00 35.01 H new ATOM 0 HG3 LYS A 81 -14.090 12.041 5.101 1.00 35.01 H new ATOM 0 HD2 LYS A 81 -14.296 10.052 6.472 1.00 64.10 H new ATOM 0 HD3 LYS A 81 -15.578 10.034 5.277 1.00 64.10 H new ATOM 0 HE2 LYS A 81 -14.663 8.259 4.100 1.00 53.45 H new ATOM 0 HE3 LYS A 81 -13.014 8.684 4.516 1.00 53.45 H new ATOM 0 HZ1 LYS A 81 -13.708 6.667 5.633 1.00 62.03 H new ATOM 0 HZ2 LYS A 81 -13.408 7.888 6.775 1.00 62.03 H new ATOM 0 HZ3 LYS A 81 -15.005 7.476 6.372 1.00 62.03 H new ATOM 1198 N TYR A 82 -15.136 13.587 1.824 1.00 74.34 N ATOM 1199 CA TYR A 82 -15.169 15.032 1.636 1.00 44.23 C ATOM 1200 C TYR A 82 -15.852 15.396 0.321 1.00 33.41 C ATOM 1201 O TYR A 82 -16.428 16.474 0.185 1.00 52.11 O ATOM 1202 CB TYR A 82 -13.750 15.602 1.660 1.00 45.50 C ATOM 1203 CG TYR A 82 -12.867 14.984 2.721 1.00 43.54 C ATOM 1204 CD1 TYR A 82 -13.345 14.758 4.005 1.00 14.23 C ATOM 1205 CD2 TYR A 82 -11.554 14.628 2.439 1.00 61.34 C ATOM 1206 CE1 TYR A 82 -12.542 14.194 4.978 1.00 54.42 C ATOM 1207 CE2 TYR A 82 -10.744 14.062 3.404 1.00 12.13 C ATOM 1208 CZ TYR A 82 -11.243 13.848 4.672 1.00 22.34 C ATOM 1209 OH TYR A 82 -10.439 13.286 5.638 1.00 60.24 O ATOM 0 H TYR A 82 -14.603 13.082 1.116 1.00 74.34 H new ATOM 0 HA TYR A 82 -15.743 15.466 2.455 1.00 44.23 H new ATOM 0 HB2 TYR A 82 -13.290 15.451 0.683 1.00 45.50 H new ATOM 0 HB3 TYR A 82 -13.802 16.678 1.825 1.00 45.50 H new ATOM 0 HD1 TYR A 82 -14.362 15.028 4.247 1.00 14.23 H new ATOM 0 HD2 TYR A 82 -11.160 14.797 1.448 1.00 61.34 H new ATOM 0 HE1 TYR A 82 -12.930 14.025 5.972 1.00 54.42 H new ATOM 0 HE2 TYR A 82 -9.726 13.789 3.167 1.00 12.13 H new ATOM 0 HH TYR A 82 -9.594 12.998 5.234 1.00 60.24 H new ATOM 1219 N GLY A 83 -15.784 14.485 -0.645 1.00 72.15 N ATOM 1220 CA GLY A 83 -16.401 14.726 -1.937 1.00 4.41 C ATOM 1221 C GLY A 83 -15.991 16.058 -2.535 1.00 34.13 C ATOM 1222 O GLY A 83 -16.801 16.980 -2.622 1.00 52.44 O ATOM 0 H GLY A 83 -15.313 13.585 -0.556 1.00 72.15 H new ATOM 0 HA2 GLY A 83 -16.127 13.924 -2.622 1.00 4.41 H new ATOM 0 HA3 GLY A 83 -17.485 14.698 -1.830 1.00 4.41 H new ATOM 1226 N GLN A 84 -14.731 16.158 -2.945 1.00 53.31 N ATOM 1227 CA GLN A 84 -14.216 17.388 -3.535 1.00 53.23 C ATOM 1228 C GLN A 84 -14.527 18.589 -2.648 1.00 42.31 C ATOM 1229 O GLN A 84 -15.145 19.556 -3.091 1.00 55.15 O ATOM 1230 CB GLN A 84 -14.813 17.600 -4.928 1.00 34.34 C ATOM 1231 CG GLN A 84 -13.954 18.467 -5.833 1.00 2.11 C ATOM 1232 CD GLN A 84 -14.647 19.753 -6.239 1.00 4.04 C ATOM 1233 OE1 GLN A 84 -14.570 20.761 -5.536 1.00 14.23 O ATOM 1234 NE2 GLN A 84 -15.328 19.725 -7.378 1.00 62.21 N ATOM 0 H GLN A 84 -14.048 15.403 -2.880 1.00 53.31 H new ATOM 0 HA GLN A 84 -13.134 17.294 -3.622 1.00 53.23 H new ATOM 0 HB2 GLN A 84 -14.961 16.630 -5.402 1.00 34.34 H new ATOM 0 HB3 GLN A 84 -15.797 18.059 -4.827 1.00 34.34 H new ATOM 0 HG2 GLN A 84 -13.022 18.707 -5.322 1.00 2.11 H new ATOM 0 HG3 GLN A 84 -13.691 17.903 -6.728 1.00 2.11 H new ATOM 0 HE21 GLN A 84 -15.365 18.868 -7.929 1.00 62.21 H new ATOM 0 HE22 GLN A 84 -15.814 20.561 -7.702 1.00 62.21 H new ATOM 1243 N GLU A 85 -14.093 18.520 -1.393 1.00 72.13 N ATOM 1244 CA GLU A 85 -14.327 19.602 -0.444 1.00 62.02 C ATOM 1245 C GLU A 85 -13.635 19.318 0.886 1.00 34.51 C ATOM 1246 O GLU A 85 -14.276 18.908 1.855 1.00 4.42 O ATOM 1247 CB GLU A 85 -15.828 19.798 -0.220 1.00 4.32 C ATOM 1248 CG GLU A 85 -16.202 21.213 0.191 1.00 64.40 C ATOM 1249 CD GLU A 85 -16.484 22.110 -0.998 1.00 50.12 C ATOM 1250 OE1 GLU A 85 -17.163 21.650 -1.940 1.00 62.21 O ATOM 1251 OE2 GLU A 85 -16.027 23.272 -0.987 1.00 65.22 O ATOM 0 H GLU A 85 -13.578 17.727 -1.010 1.00 72.13 H new ATOM 0 HA GLU A 85 -13.908 20.516 -0.864 1.00 62.02 H new ATOM 0 HB2 GLU A 85 -16.360 19.542 -1.136 1.00 4.32 H new ATOM 0 HB3 GLU A 85 -16.166 19.104 0.549 1.00 4.32 H new ATOM 0 HG2 GLU A 85 -17.082 21.180 0.833 1.00 64.40 H new ATOM 0 HG3 GLU A 85 -15.392 21.642 0.781 1.00 64.40 H new ATOM 1258 N ILE A 86 -12.325 19.537 0.924 1.00 74.51 N ATOM 1259 CA ILE A 86 -11.547 19.304 2.134 1.00 13.44 C ATOM 1260 C ILE A 86 -10.512 20.405 2.342 1.00 72.20 C ATOM 1261 O ILE A 86 -9.883 20.867 1.390 1.00 72.01 O ATOM 1262 CB ILE A 86 -10.830 17.942 2.090 1.00 10.31 C ATOM 1263 CG1 ILE A 86 -10.087 17.690 3.404 1.00 60.45 C ATOM 1264 CG2 ILE A 86 -9.869 17.888 0.912 1.00 5.03 C ATOM 1265 CD1 ILE A 86 -11.006 17.482 4.587 1.00 4.43 C ATOM 0 H ILE A 86 -11.780 19.875 0.131 1.00 74.51 H new ATOM 0 HA ILE A 86 -12.250 19.307 2.967 1.00 13.44 H new ATOM 0 HB ILE A 86 -11.576 17.158 1.961 1.00 10.31 H new ATOM 0 HG12 ILE A 86 -9.451 16.812 3.290 1.00 60.45 H new ATOM 0 HG13 ILE A 86 -9.430 18.535 3.609 1.00 60.45 H new ATOM 0 HG21 ILE A 86 -9.370 16.919 0.894 1.00 5.03 H new ATOM 0 HG22 ILE A 86 -10.423 18.028 -0.016 1.00 5.03 H new ATOM 0 HG23 ILE A 86 -9.125 18.678 1.013 1.00 5.03 H new ATOM 0 HD11 ILE A 86 -10.411 17.309 5.484 1.00 4.43 H new ATOM 0 HD12 ILE A 86 -11.625 18.368 4.727 1.00 4.43 H new ATOM 0 HD13 ILE A 86 -11.645 16.619 4.404 1.00 4.43 H new ATOM 1277 N ARG A 87 -10.340 20.819 3.593 1.00 65.10 N ATOM 1278 CA ARG A 87 -9.380 21.865 3.926 1.00 21.30 C ATOM 1279 C ARG A 87 -8.095 21.264 4.489 1.00 40.31 C ATOM 1280 O ARG A 87 -8.122 20.237 5.168 1.00 74.12 O ATOM 1281 CB ARG A 87 -9.986 22.839 4.938 1.00 50.24 C ATOM 1282 CG ARG A 87 -9.621 24.292 4.678 1.00 31.30 C ATOM 1283 CD ARG A 87 -8.485 24.750 5.579 1.00 42.14 C ATOM 1284 NE ARG A 87 -8.451 26.203 5.720 1.00 3.21 N ATOM 1285 CZ ARG A 87 -7.830 26.831 6.713 1.00 64.43 C ATOM 1286 NH1 ARG A 87 -7.194 26.136 7.646 1.00 62.42 N ATOM 1287 NH2 ARG A 87 -7.843 28.156 6.773 1.00 51.11 N ATOM 0 H ARG A 87 -10.852 20.446 4.392 1.00 65.10 H new ATOM 0 HA ARG A 87 -9.138 22.406 3.011 1.00 21.30 H new ATOM 0 HB2 ARG A 87 -11.071 22.737 4.923 1.00 50.24 H new ATOM 0 HB3 ARG A 87 -9.654 22.563 5.939 1.00 50.24 H new ATOM 0 HG2 ARG A 87 -9.331 24.414 3.634 1.00 31.30 H new ATOM 0 HG3 ARG A 87 -10.494 24.923 4.842 1.00 31.30 H new ATOM 0 HD2 ARG A 87 -8.595 24.293 6.562 1.00 42.14 H new ATOM 0 HD3 ARG A 87 -7.536 24.403 5.171 1.00 42.14 H new ATOM 0 HE ARG A 87 -8.930 26.767 5.018 1.00 3.21 H new ATOM 0 HH11 ARG A 87 -7.181 25.117 7.603 1.00 62.42 H new ATOM 0 HH12 ARG A 87 -6.718 26.620 8.407 1.00 62.42 H new ATOM 0 HH21 ARG A 87 -8.330 28.694 6.056 1.00 51.11 H new ATOM 0 HH22 ARG A 87 -7.366 28.637 7.536 1.00 51.11 H new ATOM 1301 N LEU A 88 -6.971 21.911 4.202 1.00 2.31 N ATOM 1302 CA LEU A 88 -5.675 21.442 4.679 1.00 23.51 C ATOM 1303 C LEU A 88 -5.219 22.242 5.895 1.00 31.10 C ATOM 1304 O LEU A 88 -4.902 23.427 5.787 1.00 60.20 O ATOM 1305 CB LEU A 88 -4.631 21.546 3.566 1.00 71.34 C ATOM 1306 CG LEU A 88 -3.786 20.295 3.319 1.00 40.53 C ATOM 1307 CD1 LEU A 88 -4.676 19.102 3.009 1.00 52.02 C ATOM 1308 CD2 LEU A 88 -2.798 20.535 2.186 1.00 31.41 C ATOM 0 H LEU A 88 -6.931 22.762 3.641 1.00 2.31 H new ATOM 0 HA LEU A 88 -5.781 20.398 4.973 1.00 23.51 H new ATOM 0 HB2 LEU A 88 -5.142 21.804 2.639 1.00 71.34 H new ATOM 0 HB3 LEU A 88 -3.960 22.373 3.800 1.00 71.34 H new ATOM 0 HG LEU A 88 -3.223 20.075 4.226 1.00 40.53 H new ATOM 0 HD11 LEU A 88 -4.057 18.222 2.836 1.00 52.02 H new ATOM 0 HD12 LEU A 88 -5.343 18.917 3.851 1.00 52.02 H new ATOM 0 HD13 LEU A 88 -5.267 19.311 2.117 1.00 52.02 H new ATOM 0 HD21 LEU A 88 -2.205 19.635 2.024 1.00 31.41 H new ATOM 0 HD22 LEU A 88 -3.343 20.780 1.274 1.00 31.41 H new ATOM 0 HD23 LEU A 88 -2.138 21.362 2.448 1.00 31.41 H new ATOM 1320 N ILE A 89 -5.187 21.586 7.050 1.00 13.43 N ATOM 1321 CA ILE A 89 -4.767 22.236 8.286 1.00 52.35 C ATOM 1322 C ILE A 89 -3.766 21.374 9.047 1.00 10.42 C ATOM 1323 O ILE A 89 -3.967 20.176 9.247 1.00 5.23 O ATOM 1324 CB ILE A 89 -5.969 22.537 9.200 1.00 11.14 C ATOM 1325 CG1 ILE A 89 -5.515 23.320 10.434 1.00 14.11 C ATOM 1326 CG2 ILE A 89 -6.659 21.245 9.611 1.00 61.43 C ATOM 1327 CD1 ILE A 89 -6.635 23.619 11.406 1.00 75.22 C ATOM 0 H ILE A 89 -5.447 20.605 7.156 1.00 13.43 H new ATOM 0 HA ILE A 89 -4.292 23.176 8.004 1.00 52.35 H new ATOM 0 HB ILE A 89 -6.683 23.147 8.647 1.00 11.14 H new ATOM 0 HG12 ILE A 89 -4.740 22.753 10.949 1.00 14.11 H new ATOM 0 HG13 ILE A 89 -5.063 24.259 10.113 1.00 14.11 H new ATOM 0 HG21 ILE A 89 -7.507 21.475 10.257 1.00 61.43 H new ATOM 0 HG22 ILE A 89 -7.011 20.722 8.722 1.00 61.43 H new ATOM 0 HG23 ILE A 89 -5.954 20.611 10.149 1.00 61.43 H new ATOM 0 HD11 ILE A 89 -6.240 24.176 12.256 1.00 75.22 H new ATOM 0 HD12 ILE A 89 -7.401 24.213 10.907 1.00 75.22 H new ATOM 0 HD13 ILE A 89 -7.072 22.684 11.756 1.00 75.22 H new ATOM 1339 N PRO A 90 -2.662 21.997 9.485 1.00 44.13 N ATOM 1340 CA PRO A 90 -1.608 21.307 10.234 1.00 64.42 C ATOM 1341 C PRO A 90 -2.058 20.910 11.636 1.00 63.13 C ATOM 1342 O PRO A 90 -2.011 21.717 12.564 1.00 23.44 O ATOM 1343 CB PRO A 90 -0.485 22.345 10.306 1.00 14.14 C ATOM 1344 CG PRO A 90 -1.177 23.659 10.184 1.00 43.02 C ATOM 1345 CD PRO A 90 -2.357 23.423 9.282 1.00 2.51 C ATOM 0 HA PRO A 90 -1.313 20.373 9.755 1.00 64.42 H new ATOM 0 HB2 PRO A 90 0.063 22.271 11.246 1.00 14.14 H new ATOM 0 HB3 PRO A 90 0.238 22.202 9.503 1.00 14.14 H new ATOM 0 HG2 PRO A 90 -1.498 24.023 11.160 1.00 43.02 H new ATOM 0 HG3 PRO A 90 -0.511 24.414 9.766 1.00 43.02 H new ATOM 0 HD2 PRO A 90 -3.202 24.057 9.551 1.00 2.51 H new ATOM 0 HD3 PRO A 90 -2.116 23.638 8.241 1.00 2.51 H new ATOM 1353 N ARG A 91 -2.493 19.663 11.782 1.00 73.24 N ATOM 1354 CA ARG A 91 -2.953 19.160 13.071 1.00 64.24 C ATOM 1355 C ARG A 91 -2.088 17.993 13.538 1.00 21.31 C ATOM 1356 O ARG A 91 -1.389 17.367 12.741 1.00 22.22 O ATOM 1357 CB ARG A 91 -4.415 18.720 12.979 1.00 40.21 C ATOM 1358 CG ARG A 91 -5.312 19.369 14.020 1.00 54.32 C ATOM 1359 CD ARG A 91 -6.777 19.041 13.776 1.00 61.54 C ATOM 1360 NE ARG A 91 -7.023 17.601 13.778 1.00 25.12 N ATOM 1361 CZ ARG A 91 -8.220 17.060 13.972 1.00 12.00 C ATOM 1362 NH1 ARG A 91 -9.276 17.835 14.177 1.00 0.34 N ATOM 1363 NH2 ARG A 91 -8.364 15.741 13.960 1.00 23.02 N ATOM 0 H ARG A 91 -2.537 18.982 11.024 1.00 73.24 H new ATOM 0 HA ARG A 91 -2.869 19.967 13.799 1.00 64.24 H new ATOM 0 HB2 ARG A 91 -4.795 18.957 11.985 1.00 40.21 H new ATOM 0 HB3 ARG A 91 -4.468 17.637 13.091 1.00 40.21 H new ATOM 0 HG2 ARG A 91 -5.023 19.029 15.014 1.00 54.32 H new ATOM 0 HG3 ARG A 91 -5.172 20.450 14.000 1.00 54.32 H new ATOM 0 HD2 ARG A 91 -7.387 19.514 14.545 1.00 61.54 H new ATOM 0 HD3 ARG A 91 -7.088 19.461 12.819 1.00 61.54 H new ATOM 0 HE ARG A 91 -6.232 16.977 13.622 1.00 25.12 H new ATOM 0 HH11 ARG A 91 -9.170 18.849 14.186 1.00 0.34 H new ATOM 0 HH12 ARG A 91 -10.194 17.417 14.326 1.00 0.34 H new ATOM 0 HH21 ARG A 91 -7.554 15.141 13.802 1.00 23.02 H new ATOM 0 HH22 ARG A 91 -9.284 15.327 14.109 1.00 23.02 H new ATOM 1377 N ASP A 92 -2.140 17.706 14.834 1.00 14.53 N ATOM 1378 CA ASP A 92 -1.363 16.615 15.408 1.00 23.53 C ATOM 1379 C ASP A 92 0.133 16.889 15.284 1.00 32.23 C ATOM 1380 O ASP A 92 0.929 15.969 15.098 1.00 62.32 O ATOM 1381 CB ASP A 92 -1.711 15.295 14.719 1.00 63.55 C ATOM 1382 CG ASP A 92 -1.659 14.114 15.668 1.00 22.20 C ATOM 1383 OD1 ASP A 92 -0.989 14.224 16.716 1.00 4.03 O ATOM 1384 OD2 ASP A 92 -2.289 13.080 15.363 1.00 21.14 O ATOM 0 H ASP A 92 -2.713 18.215 15.507 1.00 14.53 H new ATOM 0 HA ASP A 92 -1.614 16.541 16.466 1.00 23.53 H new ATOM 0 HB2 ASP A 92 -2.709 15.366 14.287 1.00 63.55 H new ATOM 0 HB3 ASP A 92 -1.018 15.125 13.895 1.00 63.55 H new ATOM 1389 N ARG A 93 0.507 18.160 15.388 1.00 32.10 N ATOM 1390 CA ARG A 93 1.906 18.555 15.285 1.00 2.41 C ATOM 1391 C ARG A 93 2.059 20.064 15.454 1.00 55.33 C ATOM 1392 O ARG A 93 3.036 20.539 16.031 1.00 4.52 O ATOM 1393 CB ARG A 93 2.483 18.121 13.936 1.00 1.34 C ATOM 1394 CG ARG A 93 3.638 17.140 14.055 1.00 35.23 C ATOM 1395 CD ARG A 93 3.311 15.813 13.388 1.00 24.32 C ATOM 1396 NE ARG A 93 4.506 15.156 12.863 1.00 35.13 N ATOM 1397 CZ ARG A 93 4.490 13.966 12.273 1.00 23.00 C ATOM 1398 NH1 ARG A 93 3.349 13.306 12.133 1.00 52.31 N ATOM 1399 NH2 ARG A 93 5.619 13.434 11.821 1.00 33.21 N ATOM 0 H ARG A 93 -0.139 18.933 15.543 1.00 32.10 H new ATOM 0 HA ARG A 93 2.457 18.059 16.084 1.00 2.41 H new ATOM 0 HB2 ARG A 93 1.691 17.666 13.341 1.00 1.34 H new ATOM 0 HB3 ARG A 93 2.822 19.004 13.394 1.00 1.34 H new ATOM 0 HG2 ARG A 93 4.530 17.569 13.598 1.00 35.23 H new ATOM 0 HG3 ARG A 93 3.868 16.973 15.107 1.00 35.23 H new ATOM 0 HD2 ARG A 93 2.822 15.156 14.108 1.00 24.32 H new ATOM 0 HD3 ARG A 93 2.603 15.980 12.577 1.00 24.32 H new ATOM 0 HE ARG A 93 5.401 15.637 12.955 1.00 35.13 H new ATOM 0 HH11 ARG A 93 2.479 13.712 12.479 1.00 52.31 H new ATOM 0 HH12 ARG A 93 3.341 12.392 11.679 1.00 52.31 H new ATOM 0 HH21 ARG A 93 6.499 13.939 11.927 1.00 33.21 H new ATOM 0 HH22 ARG A 93 5.607 12.520 11.368 1.00 33.21 H new ATOM 1413 N VAL A 94 1.085 20.813 14.945 1.00 31.30 N ATOM 1414 CA VAL A 94 1.110 22.267 15.039 1.00 0.45 C ATOM 1415 C VAL A 94 -0.071 22.786 15.852 1.00 72.10 C ATOM 1416 O VAL A 94 0.104 23.356 16.928 1.00 63.01 O ATOM 1417 CB VAL A 94 1.086 22.921 13.645 1.00 61.10 C ATOM 1418 CG1 VAL A 94 1.268 24.427 13.758 1.00 62.14 C ATOM 1419 CG2 VAL A 94 2.157 22.311 12.753 1.00 50.30 C ATOM 0 H VAL A 94 0.269 20.436 14.463 1.00 31.30 H new ATOM 0 HA VAL A 94 2.039 22.535 15.542 1.00 0.45 H new ATOM 0 HB VAL A 94 0.114 22.731 13.190 1.00 61.10 H new ATOM 0 HG11 VAL A 94 1.248 24.872 12.763 1.00 62.14 H new ATOM 0 HG12 VAL A 94 0.461 24.847 14.359 1.00 62.14 H new ATOM 0 HG13 VAL A 94 2.225 24.643 14.233 1.00 62.14 H new ATOM 0 HG21 VAL A 94 2.126 22.784 11.772 1.00 50.30 H new ATOM 0 HG22 VAL A 94 3.138 22.469 13.202 1.00 50.30 H new ATOM 0 HG23 VAL A 94 1.975 21.242 12.646 1.00 50.30 H new ATOM 1429 N GLY A 95 -1.277 22.583 15.329 1.00 1.20 N ATOM 1430 CA GLY A 95 -2.470 23.036 16.019 1.00 35.22 C ATOM 1431 C GLY A 95 -3.743 22.525 15.373 1.00 41.22 C ATOM 1432 O GLY A 95 -4.289 23.163 14.473 1.00 63.15 O ATOM 0 H GLY A 95 -1.448 22.113 14.440 1.00 1.20 H new ATOM 0 HA2 GLY A 95 -2.434 22.704 17.057 1.00 35.22 H new ATOM 0 HA3 GLY A 95 -2.486 24.126 16.034 1.00 35.22 H new