USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=16 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= -0.272 K(o=0.18,f=-1.9) USER MOD Set 1.2: A 82 TYR OH : rot -167:sc= 0.448 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0348 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -27:sc= 0.49 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= -0.23 X(o=-0.23,f=-0.024) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0209 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0133 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 169:sc= -2.05! USER MOD Single : A 63 THR OG1 : rot -81:sc= 1.07 USER MOD Single : A 64 LYS NZ :NH3+ -104:sc=0.000645 (180deg=-2.08!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00986 USER MOD Single : A 73 GLN : amide:sc= -2.38 X(o=-2.4,f=-2) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.449 USER MOD Single : A 77 ASN : amide:sc= -0.438 K(o=-0.44,f=-4.4!) USER MOD Single : A 80 MET CE :methyl -120:sc= 0 (180deg=-0.000477) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N ALA A 9 -6.103 5.381 -14.097 1.00 43.15 N ATOM 115 CA ALA A 9 -7.196 6.344 -14.149 1.00 62.12 C ATOM 116 C ALA A 9 -7.949 6.249 -15.472 1.00 1.03 C ATOM 117 O ALA A 9 -8.232 7.263 -16.110 1.00 1.12 O ATOM 118 CB ALA A 9 -6.666 7.755 -13.941 1.00 55.10 C ATOM 0 HA ALA A 9 -7.894 6.108 -13.346 1.00 62.12 H new ATOM 0 HB1 ALA A 9 -7.493 8.464 -13.982 1.00 55.10 H new ATOM 0 HB2 ALA A 9 -6.179 7.821 -12.968 1.00 55.10 H new ATOM 0 HB3 ALA A 9 -5.945 7.992 -14.724 1.00 55.10 H new ATOM 124 N ARG A 10 -8.270 5.025 -15.878 1.00 41.11 N ATOM 125 CA ARG A 10 -8.989 4.798 -17.126 1.00 45.31 C ATOM 126 C ARG A 10 -10.330 4.120 -16.865 1.00 72.14 C ATOM 127 O ARG A 10 -11.316 4.387 -17.552 1.00 70.15 O ATOM 128 CB ARG A 10 -8.148 3.942 -18.075 1.00 41.22 C ATOM 129 CG ARG A 10 -7.885 2.538 -17.557 1.00 60.30 C ATOM 130 CD ARG A 10 -6.698 1.898 -18.260 1.00 23.14 C ATOM 131 NE ARG A 10 -6.507 0.507 -17.856 1.00 53.31 N ATOM 132 CZ ARG A 10 -5.454 -0.222 -18.207 1.00 71.12 C ATOM 133 NH1 ARG A 10 -4.502 0.304 -18.964 1.00 45.43 N ATOM 134 NH2 ARG A 10 -5.352 -1.481 -17.800 1.00 50.04 N ATOM 0 H ARG A 10 -8.044 4.175 -15.361 1.00 41.11 H new ATOM 0 HA ARG A 10 -9.176 5.766 -17.590 1.00 45.31 H new ATOM 0 HB2 ARG A 10 -8.656 3.876 -19.037 1.00 41.22 H new ATOM 0 HB3 ARG A 10 -7.194 4.440 -18.251 1.00 41.22 H new ATOM 0 HG2 ARG A 10 -7.697 2.574 -16.484 1.00 60.30 H new ATOM 0 HG3 ARG A 10 -8.772 1.922 -17.705 1.00 60.30 H new ATOM 0 HD2 ARG A 10 -6.847 1.945 -19.339 1.00 23.14 H new ATOM 0 HD3 ARG A 10 -5.795 2.467 -18.038 1.00 23.14 H new ATOM 0 HE ARG A 10 -7.222 0.072 -17.272 1.00 53.31 H new ATOM 0 HH11 ARG A 10 -4.577 1.271 -19.279 1.00 45.43 H new ATOM 0 HH12 ARG A 10 -3.694 -0.258 -19.232 1.00 45.43 H new ATOM 0 HH21 ARG A 10 -6.083 -1.889 -17.217 1.00 50.04 H new ATOM 0 HH22 ARG A 10 -4.543 -2.040 -18.070 1.00 50.04 H new ATOM 148 N SER A 11 -10.359 3.241 -15.869 1.00 33.13 N ATOM 149 CA SER A 11 -11.578 2.521 -15.520 1.00 33.31 C ATOM 150 C SER A 11 -12.472 3.369 -14.620 1.00 24.13 C ATOM 151 O SER A 11 -12.007 3.962 -13.647 1.00 34.12 O ATOM 152 CB SER A 11 -11.236 1.203 -14.822 1.00 45.20 C ATOM 153 OG SER A 11 -10.195 1.382 -13.877 1.00 0.31 O ATOM 0 H SER A 11 -9.552 3.010 -15.289 1.00 33.13 H new ATOM 0 HA SER A 11 -12.119 2.306 -16.441 1.00 33.31 H new ATOM 0 HB2 SER A 11 -12.122 0.812 -14.322 1.00 45.20 H new ATOM 0 HB3 SER A 11 -10.935 0.463 -15.563 1.00 45.20 H new ATOM 0 HG SER A 11 -9.996 0.526 -13.443 1.00 0.31 H new ATOM 159 N GLY A 12 -13.758 3.421 -14.953 1.00 2.24 N ATOM 160 CA GLY A 12 -14.697 4.199 -14.165 1.00 62.24 C ATOM 161 C GLY A 12 -14.869 5.609 -14.695 1.00 33.41 C ATOM 162 O GLY A 12 -15.689 5.851 -15.580 1.00 20.13 O ATOM 0 H GLY A 12 -14.166 2.939 -15.754 1.00 2.24 H new ATOM 0 HA2 GLY A 12 -15.664 3.696 -14.157 1.00 62.24 H new ATOM 0 HA3 GLY A 12 -14.352 4.242 -13.132 1.00 62.24 H new ATOM 166 N GLY A 13 -14.095 6.543 -14.151 1.00 30.44 N ATOM 167 CA GLY A 13 -14.183 7.924 -14.585 1.00 2.50 C ATOM 168 C GLY A 13 -12.995 8.751 -14.133 1.00 33.13 C ATOM 169 O GLY A 13 -11.900 8.224 -13.938 1.00 20.51 O ATOM 0 H GLY A 13 -13.409 6.367 -13.417 1.00 30.44 H new ATOM 0 HA2 GLY A 13 -14.251 7.956 -15.672 1.00 2.50 H new ATOM 0 HA3 GLY A 13 -15.099 8.367 -14.195 1.00 2.50 H new ATOM 173 N LYS A 14 -13.211 10.051 -13.966 1.00 44.55 N ATOM 174 CA LYS A 14 -12.150 10.954 -13.535 1.00 1.02 C ATOM 175 C LYS A 14 -12.702 12.047 -12.625 1.00 70.11 C ATOM 176 O LYS A 14 -13.756 12.622 -12.898 1.00 45.32 O ATOM 177 CB LYS A 14 -11.463 11.585 -14.748 1.00 73.45 C ATOM 178 CG LYS A 14 -10.630 10.603 -15.554 1.00 23.01 C ATOM 179 CD LYS A 14 -10.029 11.260 -16.785 1.00 55.33 C ATOM 180 CE LYS A 14 -8.691 11.911 -16.473 1.00 43.11 C ATOM 181 NZ LYS A 14 -7.945 12.268 -17.712 1.00 12.12 N ATOM 0 H LYS A 14 -14.112 10.503 -14.123 1.00 44.55 H new ATOM 0 HA LYS A 14 -11.419 10.372 -12.974 1.00 1.02 H new ATOM 0 HB2 LYS A 14 -12.221 12.024 -15.397 1.00 73.45 H new ATOM 0 HB3 LYS A 14 -10.823 12.400 -14.410 1.00 73.45 H new ATOM 0 HG2 LYS A 14 -9.832 10.202 -14.929 1.00 23.01 H new ATOM 0 HG3 LYS A 14 -11.252 9.760 -15.857 1.00 23.01 H new ATOM 0 HD2 LYS A 14 -9.898 10.514 -17.569 1.00 55.33 H new ATOM 0 HD3 LYS A 14 -10.719 12.011 -17.171 1.00 55.33 H new ATOM 0 HE2 LYS A 14 -8.854 12.808 -15.876 1.00 43.11 H new ATOM 0 HE3 LYS A 14 -8.089 11.232 -15.869 1.00 43.11 H new ATOM 0 HZ1 LYS A 14 -7.039 12.709 -17.456 1.00 12.12 H new ATOM 0 HZ2 LYS A 14 -7.767 11.408 -18.270 1.00 12.12 H new ATOM 0 HZ3 LYS A 14 -8.508 12.936 -18.276 1.00 12.12 H new ATOM 195 N VAL A 15 -11.983 12.329 -11.543 1.00 52.33 N ATOM 196 CA VAL A 15 -12.400 13.355 -10.595 1.00 10.22 C ATOM 197 C VAL A 15 -11.201 14.134 -10.065 1.00 30.51 C ATOM 198 O VAL A 15 -10.105 13.589 -9.925 1.00 13.13 O ATOM 199 CB VAL A 15 -13.167 12.743 -9.407 1.00 44.31 C ATOM 200 CG1 VAL A 15 -13.757 13.838 -8.531 1.00 45.13 C ATOM 201 CG2 VAL A 15 -14.254 11.802 -9.903 1.00 42.23 C ATOM 0 H VAL A 15 -11.109 11.861 -11.301 1.00 52.33 H new ATOM 0 HA VAL A 15 -13.061 14.034 -11.134 1.00 10.22 H new ATOM 0 HB VAL A 15 -12.467 12.166 -8.803 1.00 44.31 H new ATOM 0 HG11 VAL A 15 -14.295 13.387 -7.697 1.00 45.13 H new ATOM 0 HG12 VAL A 15 -12.955 14.468 -8.147 1.00 45.13 H new ATOM 0 HG13 VAL A 15 -14.444 14.445 -9.120 1.00 45.13 H new ATOM 0 HG21 VAL A 15 -14.786 11.379 -9.051 1.00 42.23 H new ATOM 0 HG22 VAL A 15 -14.954 12.354 -10.530 1.00 42.23 H new ATOM 0 HG23 VAL A 15 -13.802 10.998 -10.484 1.00 42.23 H new ATOM 211 N THR A 16 -11.415 15.412 -9.771 1.00 15.24 N ATOM 212 CA THR A 16 -10.353 16.267 -9.256 1.00 63.34 C ATOM 213 C THR A 16 -10.788 16.979 -7.981 1.00 75.10 C ATOM 214 O THR A 16 -11.943 17.385 -7.849 1.00 11.45 O ATOM 215 CB THR A 16 -9.924 17.318 -10.297 1.00 53.33 C ATOM 216 OG1 THR A 16 -10.536 17.035 -11.560 1.00 73.15 O ATOM 217 CG2 THR A 16 -8.411 17.339 -10.454 1.00 54.13 C ATOM 0 H THR A 16 -12.315 15.878 -9.881 1.00 15.24 H new ATOM 0 HA THR A 16 -9.506 15.618 -9.034 1.00 63.34 H new ATOM 0 HB THR A 16 -10.250 18.297 -9.947 1.00 53.33 H new ATOM 0 HG1 THR A 16 -10.260 17.709 -12.216 1.00 73.15 H new ATOM 0 HG21 THR A 16 -8.132 18.089 -11.194 1.00 54.13 H new ATOM 0 HG22 THR A 16 -7.949 17.584 -9.498 1.00 54.13 H new ATOM 0 HG23 THR A 16 -8.066 16.359 -10.783 1.00 54.13 H new ATOM 225 N PHE A 17 -9.858 17.128 -7.044 1.00 64.34 N ATOM 226 CA PHE A 17 -10.146 17.791 -5.778 1.00 51.44 C ATOM 227 C PHE A 17 -9.105 18.866 -5.478 1.00 31.22 C ATOM 228 O PHE A 17 -7.902 18.613 -5.538 1.00 3.20 O ATOM 229 CB PHE A 17 -10.185 16.770 -4.640 1.00 25.21 C ATOM 230 CG PHE A 17 -11.002 15.550 -4.956 1.00 53.31 C ATOM 231 CD1 PHE A 17 -10.399 14.310 -5.086 1.00 30.25 C ATOM 232 CD2 PHE A 17 -12.374 15.645 -5.124 1.00 74.34 C ATOM 233 CE1 PHE A 17 -11.149 13.185 -5.376 1.00 43.41 C ATOM 234 CE2 PHE A 17 -13.129 14.524 -5.415 1.00 32.14 C ATOM 235 CZ PHE A 17 -12.516 13.293 -5.542 1.00 5.02 C ATOM 0 H PHE A 17 -8.897 16.798 -7.138 1.00 64.34 H new ATOM 0 HA PHE A 17 -11.122 18.269 -5.861 1.00 51.44 H new ATOM 0 HB2 PHE A 17 -9.166 16.464 -4.403 1.00 25.21 H new ATOM 0 HB3 PHE A 17 -10.590 17.248 -3.748 1.00 25.21 H new ATOM 0 HD1 PHE A 17 -9.330 14.221 -4.959 1.00 30.25 H new ATOM 0 HD2 PHE A 17 -12.859 16.605 -5.027 1.00 74.34 H new ATOM 0 HE1 PHE A 17 -10.667 12.224 -5.473 1.00 43.41 H new ATOM 0 HE2 PHE A 17 -14.198 14.611 -5.543 1.00 32.14 H new ATOM 0 HZ PHE A 17 -13.104 12.417 -5.771 1.00 5.02 H new ATOM 245 N ARG A 18 -9.578 20.065 -5.155 1.00 3.22 N ATOM 246 CA ARG A 18 -8.689 21.179 -4.847 1.00 21.13 C ATOM 247 C ARG A 18 -8.615 21.415 -3.341 1.00 14.40 C ATOM 248 O ARG A 18 -9.634 21.649 -2.689 1.00 62.41 O ATOM 249 CB ARG A 18 -9.167 22.450 -5.551 1.00 4.34 C ATOM 250 CG ARG A 18 -8.410 23.700 -5.131 1.00 65.24 C ATOM 251 CD ARG A 18 -9.171 24.484 -4.074 1.00 23.00 C ATOM 252 NE ARG A 18 -9.420 25.862 -4.488 1.00 42.11 N ATOM 253 CZ ARG A 18 -10.394 26.215 -5.320 1.00 22.13 C ATOM 254 NH1 ARG A 18 -11.206 25.296 -5.823 1.00 20.43 N ATOM 255 NH2 ARG A 18 -10.557 27.490 -5.649 1.00 71.12 N ATOM 0 H ARG A 18 -10.571 20.290 -5.100 1.00 3.22 H new ATOM 0 HA ARG A 18 -7.692 20.926 -5.207 1.00 21.13 H new ATOM 0 HB2 ARG A 18 -9.065 22.319 -6.628 1.00 4.34 H new ATOM 0 HB3 ARG A 18 -10.228 22.592 -5.346 1.00 4.34 H new ATOM 0 HG2 ARG A 18 -7.431 23.420 -4.743 1.00 65.24 H new ATOM 0 HG3 ARG A 18 -8.239 24.333 -6.002 1.00 65.24 H new ATOM 0 HD2 ARG A 18 -10.121 23.990 -3.870 1.00 23.00 H new ATOM 0 HD3 ARG A 18 -8.604 24.482 -3.143 1.00 23.00 H new ATOM 0 HE ARG A 18 -8.813 26.594 -4.118 1.00 42.11 H new ATOM 0 HH11 ARG A 18 -11.084 24.315 -5.572 1.00 20.43 H new ATOM 0 HH12 ARG A 18 -11.953 25.570 -6.461 1.00 20.43 H new ATOM 0 HH21 ARG A 18 -9.934 28.200 -5.263 1.00 71.12 H new ATOM 0 HH22 ARG A 18 -11.305 27.760 -6.288 1.00 71.12 H new ATOM 269 N ILE A 19 -7.405 21.353 -2.796 1.00 33.11 N ATOM 270 CA ILE A 19 -7.200 21.561 -1.368 1.00 24.31 C ATOM 271 C ILE A 19 -6.183 22.669 -1.114 1.00 70.35 C ATOM 272 O ILE A 19 -5.107 22.687 -1.713 1.00 73.35 O ATOM 273 CB ILE A 19 -6.721 20.272 -0.675 1.00 24.43 C ATOM 274 CG1 ILE A 19 -5.350 19.856 -1.213 1.00 4.54 C ATOM 275 CG2 ILE A 19 -7.734 19.155 -0.874 1.00 72.23 C ATOM 276 CD1 ILE A 19 -4.197 20.305 -0.341 1.00 55.43 C ATOM 0 H ILE A 19 -6.552 21.161 -3.321 1.00 33.11 H new ATOM 0 HA ILE A 19 -8.164 21.853 -0.950 1.00 24.31 H new ATOM 0 HB ILE A 19 -6.628 20.466 0.394 1.00 24.43 H new ATOM 0 HG12 ILE A 19 -5.321 18.771 -1.310 1.00 4.54 H new ATOM 0 HG13 ILE A 19 -5.221 20.269 -2.213 1.00 4.54 H new ATOM 0 HG21 ILE A 19 -7.381 18.251 -0.378 1.00 72.23 H new ATOM 0 HG22 ILE A 19 -8.692 19.452 -0.447 1.00 72.23 H new ATOM 0 HG23 ILE A 19 -7.856 18.960 -1.939 1.00 72.23 H new ATOM 0 HD11 ILE A 19 -3.257 19.976 -0.783 1.00 55.43 H new ATOM 0 HD12 ILE A 19 -4.201 21.392 -0.264 1.00 55.43 H new ATOM 0 HD13 ILE A 19 -4.302 19.871 0.653 1.00 55.43 H new ATOM 288 N ILE A 20 -6.530 23.590 -0.222 1.00 54.03 N ATOM 289 CA ILE A 20 -5.647 24.700 0.113 1.00 62.23 C ATOM 290 C ILE A 20 -4.766 24.359 1.310 1.00 42.03 C ATOM 291 O ILE A 20 -5.264 24.062 2.397 1.00 44.53 O ATOM 292 CB ILE A 20 -6.444 25.980 0.424 1.00 12.04 C ATOM 293 CG1 ILE A 20 -7.489 26.234 -0.664 1.00 42.14 C ATOM 294 CG2 ILE A 20 -5.506 27.170 0.554 1.00 44.33 C ATOM 295 CD1 ILE A 20 -6.898 26.357 -2.052 1.00 31.24 C ATOM 0 H ILE A 20 -7.417 23.590 0.282 1.00 54.03 H new ATOM 0 HA ILE A 20 -5.018 24.877 -0.759 1.00 62.23 H new ATOM 0 HB ILE A 20 -6.962 25.846 1.374 1.00 12.04 H new ATOM 0 HG12 ILE A 20 -8.214 25.420 -0.657 1.00 42.14 H new ATOM 0 HG13 ILE A 20 -8.034 27.148 -0.427 1.00 42.14 H new ATOM 0 HG21 ILE A 20 -6.085 28.067 0.774 1.00 44.33 H new ATOM 0 HG22 ILE A 20 -4.797 26.988 1.362 1.00 44.33 H new ATOM 0 HG23 ILE A 20 -4.963 27.309 -0.381 1.00 44.33 H new ATOM 0 HD11 ILE A 20 -7.696 26.536 -2.773 1.00 31.24 H new ATOM 0 HD12 ILE A 20 -6.194 27.189 -2.075 1.00 31.24 H new ATOM 0 HD13 ILE A 20 -6.378 25.434 -2.309 1.00 31.24 H new ATOM 307 N LEU A 21 -3.454 24.405 1.104 1.00 72.01 N ATOM 308 CA LEU A 21 -2.502 24.103 2.167 1.00 21.00 C ATOM 309 C LEU A 21 -1.968 25.384 2.800 1.00 64.04 C ATOM 310 O LEU A 21 -1.705 26.369 2.108 1.00 32.22 O ATOM 311 CB LEU A 21 -1.342 23.270 1.618 1.00 34.54 C ATOM 312 CG LEU A 21 -0.762 23.726 0.280 1.00 50.45 C ATOM 313 CD1 LEU A 21 0.732 23.446 0.222 1.00 74.13 C ATOM 314 CD2 LEU A 21 -1.480 23.042 -0.874 1.00 52.14 C ATOM 0 H LEU A 21 -3.026 24.648 0.211 1.00 72.01 H new ATOM 0 HA LEU A 21 -3.022 23.530 2.935 1.00 21.00 H new ATOM 0 HB2 LEU A 21 -0.541 23.269 2.357 1.00 34.54 H new ATOM 0 HB3 LEU A 21 -1.680 22.239 1.512 1.00 34.54 H new ATOM 0 HG LEU A 21 -0.913 24.802 0.189 1.00 50.45 H new ATOM 0 HD11 LEU A 21 1.127 23.777 -0.738 1.00 74.13 H new ATOM 0 HD12 LEU A 21 1.234 23.983 1.026 1.00 74.13 H new ATOM 0 HD13 LEU A 21 0.906 22.376 0.336 1.00 74.13 H new ATOM 0 HD21 LEU A 21 -1.054 23.379 -1.819 1.00 52.14 H new ATOM 0 HD22 LEU A 21 -1.362 21.962 -0.787 1.00 52.14 H new ATOM 0 HD23 LEU A 21 -2.540 23.294 -0.844 1.00 52.14 H new ATOM 326 N THR A 22 -1.806 25.364 4.119 1.00 35.11 N ATOM 327 CA THR A 22 -1.302 26.523 4.845 1.00 34.43 C ATOM 328 C THR A 22 0.203 26.421 5.066 1.00 55.31 C ATOM 329 O THR A 22 0.833 27.361 5.549 1.00 44.53 O ATOM 330 CB THR A 22 -2.000 26.678 6.210 1.00 75.24 C ATOM 331 OG1 THR A 22 -1.591 27.900 6.833 1.00 12.20 O ATOM 332 CG2 THR A 22 -1.675 25.504 7.121 1.00 44.12 C ATOM 0 H THR A 22 -2.017 24.557 4.707 1.00 35.11 H new ATOM 0 HA THR A 22 -1.519 27.398 4.233 1.00 34.43 H new ATOM 0 HB THR A 22 -3.077 26.699 6.042 1.00 75.24 H new ATOM 0 HG1 THR A 22 -0.694 28.142 6.521 1.00 12.20 H new ATOM 0 HG21 THR A 22 -2.179 25.636 8.078 1.00 44.12 H new ATOM 0 HG22 THR A 22 -2.015 24.578 6.657 1.00 44.12 H new ATOM 0 HG23 THR A 22 -0.598 25.455 7.282 1.00 44.12 H new ATOM 340 N SER A 23 0.772 25.275 4.709 1.00 65.15 N ATOM 341 CA SER A 23 2.204 25.050 4.871 1.00 61.24 C ATOM 342 C SER A 23 2.989 25.706 3.738 1.00 34.42 C ATOM 343 O SER A 23 4.201 25.891 3.836 1.00 61.11 O ATOM 344 CB SER A 23 2.505 23.550 4.913 1.00 55.32 C ATOM 345 OG SER A 23 3.645 23.281 5.709 1.00 23.01 O ATOM 0 H SER A 23 0.264 24.488 4.306 1.00 65.15 H new ATOM 0 HA SER A 23 2.513 25.502 5.813 1.00 61.24 H new ATOM 0 HB2 SER A 23 1.644 23.014 5.313 1.00 55.32 H new ATOM 0 HB3 SER A 23 2.669 23.180 3.901 1.00 55.32 H new ATOM 0 HG SER A 23 3.815 22.316 5.721 1.00 23.01 H new ATOM 351 N GLU A 24 2.286 26.054 2.665 1.00 65.05 N ATOM 352 CA GLU A 24 2.917 26.688 1.513 1.00 42.21 C ATOM 353 C GLU A 24 2.161 27.949 1.104 1.00 31.01 C ATOM 354 O GLU A 24 1.539 27.996 0.043 1.00 62.14 O ATOM 355 CB GLU A 24 2.979 25.713 0.336 1.00 73.24 C ATOM 356 CG GLU A 24 4.123 25.989 -0.625 1.00 4.14 C ATOM 357 CD GLU A 24 4.140 25.034 -1.802 1.00 44.13 C ATOM 358 OE1 GLU A 24 3.191 24.232 -1.929 1.00 3.13 O ATOM 359 OE2 GLU A 24 5.102 25.088 -2.597 1.00 10.20 O ATOM 0 H GLU A 24 1.281 25.908 2.569 1.00 65.05 H new ATOM 0 HA GLU A 24 3.931 26.969 1.796 1.00 42.21 H new ATOM 0 HB2 GLU A 24 3.076 24.698 0.721 1.00 73.24 H new ATOM 0 HB3 GLU A 24 2.037 25.757 -0.211 1.00 73.24 H new ATOM 0 HG2 GLU A 24 4.044 27.012 -0.993 1.00 4.14 H new ATOM 0 HG3 GLU A 24 5.069 25.915 -0.088 1.00 4.14 H new ATOM 366 N ARG A 25 2.219 28.968 1.955 1.00 54.42 N ATOM 367 CA ARG A 25 1.538 30.229 1.684 1.00 42.02 C ATOM 368 C ARG A 25 2.130 30.913 0.455 1.00 75.25 C ATOM 369 O ARG A 25 1.526 31.824 -0.112 1.00 71.30 O ATOM 370 CB ARG A 25 1.639 31.158 2.895 1.00 34.01 C ATOM 371 CG ARG A 25 0.405 31.138 3.782 1.00 33.43 C ATOM 372 CD ARG A 25 0.668 31.813 5.119 1.00 42.52 C ATOM 373 NE ARG A 25 1.279 30.902 6.082 1.00 31.43 N ATOM 374 CZ ARG A 25 1.301 31.123 7.392 1.00 74.01 C ATOM 375 NH1 ARG A 25 0.748 32.220 7.891 1.00 21.25 N ATOM 376 NH2 ARG A 25 1.875 30.246 8.205 1.00 64.21 N ATOM 0 H ARG A 25 2.730 28.945 2.837 1.00 54.42 H new ATOM 0 HA ARG A 25 0.488 30.011 1.488 1.00 42.02 H new ATOM 0 HB2 ARG A 25 2.508 30.874 3.489 1.00 34.01 H new ATOM 0 HB3 ARG A 25 1.810 32.177 2.548 1.00 34.01 H new ATOM 0 HG2 ARG A 25 -0.417 31.642 3.274 1.00 33.43 H new ATOM 0 HG3 ARG A 25 0.092 30.107 3.949 1.00 33.43 H new ATOM 0 HD2 ARG A 25 1.321 32.673 4.969 1.00 42.52 H new ATOM 0 HD3 ARG A 25 -0.270 32.192 5.524 1.00 42.52 H new ATOM 0 HE ARG A 25 1.713 30.049 5.730 1.00 31.43 H new ATOM 0 HH11 ARG A 25 0.305 32.896 7.269 1.00 21.25 H new ATOM 0 HH12 ARG A 25 0.766 32.388 8.897 1.00 21.25 H new ATOM 0 HH21 ARG A 25 2.300 29.401 7.825 1.00 64.21 H new ATOM 0 HH22 ARG A 25 1.891 30.417 9.210 1.00 64.21 H new ATOM 390 N SER A 26 3.314 30.467 0.048 1.00 0.02 N ATOM 391 CA SER A 26 3.989 31.039 -1.111 1.00 62.40 C ATOM 392 C SER A 26 3.118 30.924 -2.358 1.00 63.54 C ATOM 393 O SER A 26 3.145 31.793 -3.228 1.00 50.45 O ATOM 394 CB SER A 26 5.329 30.338 -1.344 1.00 70.32 C ATOM 395 OG SER A 26 5.838 30.626 -2.635 1.00 54.30 O ATOM 0 H SER A 26 3.826 29.711 0.504 1.00 0.02 H new ATOM 0 HA SER A 26 4.169 32.095 -0.911 1.00 62.40 H new ATOM 0 HB2 SER A 26 6.046 30.657 -0.588 1.00 70.32 H new ATOM 0 HB3 SER A 26 5.204 29.261 -1.231 1.00 70.32 H new ATOM 0 HG SER A 26 6.695 30.168 -2.758 1.00 54.30 H new ATOM 401 N GLN A 27 2.348 29.844 -2.437 1.00 34.43 N ATOM 402 CA GLN A 27 1.469 29.614 -3.577 1.00 70.25 C ATOM 403 C GLN A 27 0.626 28.360 -3.371 1.00 72.24 C ATOM 404 O GLN A 27 0.784 27.355 -4.065 1.00 55.24 O ATOM 405 CB GLN A 27 2.289 29.486 -4.862 1.00 63.32 C ATOM 406 CG GLN A 27 1.540 29.926 -6.109 1.00 53.12 C ATOM 407 CD GLN A 27 2.155 31.150 -6.758 1.00 51.13 C ATOM 408 OE1 GLN A 27 1.466 32.131 -7.038 1.00 14.40 O ATOM 409 NE2 GLN A 27 3.459 31.099 -7.002 1.00 23.05 N ATOM 0 H GLN A 27 2.315 29.114 -1.725 1.00 34.43 H new ATOM 0 HA GLN A 27 0.799 30.469 -3.665 1.00 70.25 H new ATOM 0 HB2 GLN A 27 3.197 30.082 -4.765 1.00 63.32 H new ATOM 0 HB3 GLN A 27 2.600 28.448 -4.983 1.00 63.32 H new ATOM 0 HG2 GLN A 27 1.526 29.107 -6.828 1.00 53.12 H new ATOM 0 HG3 GLN A 27 0.503 30.140 -5.849 1.00 53.12 H new ATOM 0 HE21 GLN A 27 3.992 30.266 -6.753 1.00 23.05 H new ATOM 0 HE22 GLN A 27 3.928 31.893 -7.438 1.00 23.05 H new ATOM 418 N PRO A 28 -0.292 28.417 -2.394 1.00 65.15 N ATOM 419 CA PRO A 28 -1.178 27.294 -2.074 1.00 40.14 C ATOM 420 C PRO A 28 -2.213 27.043 -3.166 1.00 10.33 C ATOM 421 O PRO A 28 -3.105 27.862 -3.389 1.00 33.21 O ATOM 422 CB PRO A 28 -1.863 27.741 -0.780 1.00 62.33 C ATOM 423 CG PRO A 28 -1.813 29.229 -0.820 1.00 11.15 C ATOM 424 CD PRO A 28 -0.534 29.582 -1.528 1.00 14.24 C ATOM 0 HA PRO A 28 -0.631 26.356 -1.981 1.00 40.14 H new ATOM 0 HB2 PRO A 28 -2.891 27.381 -0.731 1.00 62.33 H new ATOM 0 HB3 PRO A 28 -1.346 27.351 0.097 1.00 62.33 H new ATOM 0 HG2 PRO A 28 -2.676 29.634 -1.348 1.00 11.15 H new ATOM 0 HG3 PRO A 28 -1.830 29.647 0.186 1.00 11.15 H new ATOM 0 HD2 PRO A 28 -0.635 30.500 -2.108 1.00 14.24 H new ATOM 0 HD3 PRO A 28 0.285 29.738 -0.825 1.00 14.24 H new ATOM 432 N PHE A 29 -2.089 25.907 -3.843 1.00 25.31 N ATOM 433 CA PHE A 29 -3.013 25.548 -4.912 1.00 15.51 C ATOM 434 C PHE A 29 -2.684 24.170 -5.476 1.00 75.54 C ATOM 435 O PHE A 29 -2.539 24.001 -6.687 1.00 41.42 O ATOM 436 CB PHE A 29 -2.966 26.594 -6.028 1.00 65.33 C ATOM 437 CG PHE A 29 -4.289 26.809 -6.705 1.00 11.53 C ATOM 438 CD1 PHE A 29 -4.521 26.313 -7.977 1.00 43.44 C ATOM 439 CD2 PHE A 29 -5.302 27.509 -6.068 1.00 24.02 C ATOM 440 CE1 PHE A 29 -5.738 26.510 -8.603 1.00 23.14 C ATOM 441 CE2 PHE A 29 -6.521 27.708 -6.688 1.00 3.13 C ATOM 442 CZ PHE A 29 -6.739 27.209 -7.957 1.00 44.11 C ATOM 0 H PHE A 29 -1.357 25.218 -3.670 1.00 25.31 H new ATOM 0 HA PHE A 29 -4.019 25.518 -4.494 1.00 15.51 H new ATOM 0 HB2 PHE A 29 -2.621 27.541 -5.613 1.00 65.33 H new ATOM 0 HB3 PHE A 29 -2.232 26.286 -6.773 1.00 65.33 H new ATOM 0 HD1 PHE A 29 -3.742 25.766 -8.486 1.00 43.44 H new ATOM 0 HD2 PHE A 29 -5.137 27.903 -5.076 1.00 24.02 H new ATOM 0 HE1 PHE A 29 -5.906 26.118 -9.595 1.00 23.14 H new ATOM 0 HE2 PHE A 29 -7.303 28.253 -6.180 1.00 3.13 H new ATOM 0 HZ PHE A 29 -7.690 27.365 -8.444 1.00 44.11 H new ATOM 452 N ARG A 30 -2.568 23.186 -4.590 1.00 13.21 N ATOM 453 CA ARG A 30 -2.255 21.822 -4.998 1.00 43.35 C ATOM 454 C ARG A 30 -3.529 21.006 -5.191 1.00 73.11 C ATOM 455 O ARG A 30 -4.277 20.770 -4.242 1.00 74.03 O ATOM 456 CB ARG A 30 -1.357 21.149 -3.958 1.00 54.23 C ATOM 457 CG ARG A 30 0.126 21.386 -4.189 1.00 62.11 C ATOM 458 CD ARG A 30 0.589 20.781 -5.505 1.00 54.15 C ATOM 459 NE ARG A 30 2.045 20.713 -5.595 1.00 33.53 N ATOM 460 CZ ARG A 30 2.823 21.779 -5.743 1.00 71.35 C ATOM 461 NH1 ARG A 30 2.287 22.989 -5.819 1.00 3.22 N ATOM 462 NH2 ARG A 30 4.140 21.635 -5.817 1.00 0.24 N ATOM 0 H ARG A 30 -2.686 23.308 -3.584 1.00 13.21 H new ATOM 0 HA ARG A 30 -1.726 21.867 -5.950 1.00 43.35 H new ATOM 0 HB2 ARG A 30 -1.625 21.516 -2.967 1.00 54.23 H new ATOM 0 HB3 ARG A 30 -1.550 20.076 -3.964 1.00 54.23 H new ATOM 0 HG2 ARG A 30 0.329 22.457 -4.189 1.00 62.11 H new ATOM 0 HG3 ARG A 30 0.697 20.953 -3.368 1.00 62.11 H new ATOM 0 HD2 ARG A 30 0.172 19.779 -5.610 1.00 54.15 H new ATOM 0 HD3 ARG A 30 0.202 21.375 -6.333 1.00 54.15 H new ATOM 0 HE ARG A 30 2.489 19.796 -5.541 1.00 33.53 H new ATOM 0 HH11 ARG A 30 1.275 23.103 -5.764 1.00 3.22 H new ATOM 0 HH12 ARG A 30 2.887 23.806 -5.933 1.00 3.22 H new ATOM 0 HH21 ARG A 30 4.555 20.705 -5.760 1.00 0.24 H new ATOM 0 HH22 ARG A 30 4.737 22.454 -5.931 1.00 0.24 H new ATOM 476 N VAL A 31 -3.770 20.577 -6.426 1.00 55.31 N ATOM 477 CA VAL A 31 -4.954 19.787 -6.744 1.00 22.14 C ATOM 478 C VAL A 31 -4.583 18.339 -7.045 1.00 50.22 C ATOM 479 O VAL A 31 -3.606 18.071 -7.745 1.00 1.20 O ATOM 480 CB VAL A 31 -5.713 20.373 -7.949 1.00 32.42 C ATOM 481 CG1 VAL A 31 -6.162 21.796 -7.657 1.00 11.33 C ATOM 482 CG2 VAL A 31 -4.847 20.324 -9.199 1.00 33.34 C ATOM 0 H VAL A 31 -3.161 20.763 -7.223 1.00 55.31 H new ATOM 0 HA VAL A 31 -5.601 19.819 -5.867 1.00 22.14 H new ATOM 0 HB VAL A 31 -6.601 19.767 -8.126 1.00 32.42 H new ATOM 0 HG11 VAL A 31 -6.696 22.193 -8.520 1.00 11.33 H new ATOM 0 HG12 VAL A 31 -6.821 21.799 -6.789 1.00 11.33 H new ATOM 0 HG13 VAL A 31 -5.290 22.418 -7.452 1.00 11.33 H new ATOM 0 HG21 VAL A 31 -5.399 20.742 -10.041 1.00 33.34 H new ATOM 0 HG22 VAL A 31 -3.939 20.905 -9.036 1.00 33.34 H new ATOM 0 HG23 VAL A 31 -4.581 19.290 -9.417 1.00 33.34 H new ATOM 492 N ILE A 32 -5.370 17.410 -6.513 1.00 65.23 N ATOM 493 CA ILE A 32 -5.125 15.989 -6.727 1.00 64.12 C ATOM 494 C ILE A 32 -6.168 15.386 -7.661 1.00 71.34 C ATOM 495 O ILE A 32 -7.370 15.499 -7.422 1.00 32.55 O ATOM 496 CB ILE A 32 -5.130 15.210 -5.398 1.00 54.43 C ATOM 497 CG1 ILE A 32 -6.372 15.568 -4.578 1.00 62.42 C ATOM 498 CG2 ILE A 32 -3.864 15.503 -4.607 1.00 52.15 C ATOM 499 CD1 ILE A 32 -6.459 14.829 -3.261 1.00 3.42 C ATOM 0 H ILE A 32 -6.182 17.616 -5.931 1.00 65.23 H new ATOM 0 HA ILE A 32 -4.139 15.904 -7.184 1.00 64.12 H new ATOM 0 HB ILE A 32 -5.158 14.143 -5.619 1.00 54.43 H new ATOM 0 HG12 ILE A 32 -6.373 16.641 -4.384 1.00 62.42 H new ATOM 0 HG13 ILE A 32 -7.262 15.350 -5.168 1.00 62.42 H new ATOM 0 HG21 ILE A 32 -3.883 14.945 -3.671 1.00 52.15 H new ATOM 0 HG22 ILE A 32 -2.993 15.204 -5.190 1.00 52.15 H new ATOM 0 HG23 ILE A 32 -3.808 16.570 -4.392 1.00 52.15 H new ATOM 0 HD11 ILE A 32 -7.363 15.132 -2.733 1.00 3.42 H new ATOM 0 HD12 ILE A 32 -6.490 13.756 -3.447 1.00 3.42 H new ATOM 0 HD13 ILE A 32 -5.587 15.067 -2.652 1.00 3.42 H new ATOM 511 N SER A 33 -5.700 14.743 -8.727 1.00 1.24 N ATOM 512 CA SER A 33 -6.592 14.123 -9.699 1.00 15.13 C ATOM 513 C SER A 33 -6.678 12.616 -9.474 1.00 42.52 C ATOM 514 O SER A 33 -5.671 11.910 -9.539 1.00 11.40 O ATOM 515 CB SER A 33 -6.111 14.412 -11.122 1.00 24.52 C ATOM 516 OG SER A 33 -4.695 14.395 -11.194 1.00 74.23 O ATOM 0 H SER A 33 -4.708 14.638 -8.939 1.00 1.24 H new ATOM 0 HA SER A 33 -7.586 14.550 -9.566 1.00 15.13 H new ATOM 0 HB2 SER A 33 -6.522 13.670 -11.806 1.00 24.52 H new ATOM 0 HB3 SER A 33 -6.483 15.384 -11.445 1.00 24.52 H new ATOM 0 HG SER A 33 -4.412 14.581 -12.114 1.00 74.23 H new ATOM 522 N ILE A 34 -7.886 12.132 -9.210 1.00 34.31 N ATOM 523 CA ILE A 34 -8.104 10.709 -8.977 1.00 12.44 C ATOM 524 C ILE A 34 -9.407 10.241 -9.615 1.00 73.12 C ATOM 525 O ILE A 34 -10.362 11.008 -9.736 1.00 62.05 O ATOM 526 CB ILE A 34 -8.137 10.384 -7.472 1.00 12.34 C ATOM 527 CG1 ILE A 34 -6.991 11.094 -6.749 1.00 4.50 C ATOM 528 CG2 ILE A 34 -8.058 8.881 -7.253 1.00 31.13 C ATOM 529 CD1 ILE A 34 -7.357 12.472 -6.242 1.00 21.43 C ATOM 0 H ILE A 34 -8.729 12.703 -9.152 1.00 34.31 H new ATOM 0 HA ILE A 34 -7.268 10.182 -9.436 1.00 12.44 H new ATOM 0 HB ILE A 34 -9.080 10.743 -7.059 1.00 12.34 H new ATOM 0 HG12 ILE A 34 -6.667 10.481 -5.908 1.00 4.50 H new ATOM 0 HG13 ILE A 34 -6.142 11.179 -7.427 1.00 4.50 H new ATOM 0 HG21 ILE A 34 -8.082 8.667 -6.184 1.00 31.13 H new ATOM 0 HG22 ILE A 34 -8.905 8.397 -7.739 1.00 31.13 H new ATOM 0 HG23 ILE A 34 -7.130 8.500 -7.678 1.00 31.13 H new ATOM 0 HD11 ILE A 34 -6.497 12.915 -5.740 1.00 21.43 H new ATOM 0 HD12 ILE A 34 -7.652 13.102 -7.081 1.00 21.43 H new ATOM 0 HD13 ILE A 34 -8.186 12.393 -5.539 1.00 21.43 H new ATOM 541 N ALA A 35 -9.440 8.976 -10.020 1.00 62.44 N ATOM 542 CA ALA A 35 -10.627 8.403 -10.643 1.00 1.11 C ATOM 543 C ALA A 35 -11.730 8.176 -9.615 1.00 54.13 C ATOM 544 O ALA A 35 -11.457 7.977 -8.432 1.00 52.11 O ATOM 545 CB ALA A 35 -10.278 7.098 -11.343 1.00 34.11 C ATOM 0 H ALA A 35 -8.658 8.328 -9.928 1.00 62.44 H new ATOM 0 HA ALA A 35 -10.997 9.112 -11.384 1.00 1.11 H new ATOM 0 HB1 ALA A 35 -11.174 6.681 -11.804 1.00 34.11 H new ATOM 0 HB2 ALA A 35 -9.529 7.287 -12.112 1.00 34.11 H new ATOM 0 HB3 ALA A 35 -9.881 6.390 -10.616 1.00 34.11 H new ATOM 551 N GLU A 36 -12.977 8.208 -10.075 1.00 52.35 N ATOM 552 CA GLU A 36 -14.121 8.007 -9.194 1.00 55.53 C ATOM 553 C GLU A 36 -14.055 6.641 -8.519 1.00 22.31 C ATOM 554 O GLU A 36 -14.622 6.439 -7.446 1.00 14.41 O ATOM 555 CB GLU A 36 -15.428 8.137 -9.980 1.00 62.15 C ATOM 556 CG GLU A 36 -15.546 7.151 -11.131 1.00 1.40 C ATOM 557 CD GLU A 36 -16.671 6.155 -10.932 1.00 72.31 C ATOM 558 OE1 GLU A 36 -16.395 5.038 -10.447 1.00 24.41 O ATOM 559 OE2 GLU A 36 -17.828 6.491 -11.262 1.00 3.14 O ATOM 0 H GLU A 36 -13.220 8.371 -11.052 1.00 52.35 H new ATOM 0 HA GLU A 36 -14.091 8.776 -8.422 1.00 55.53 H new ATOM 0 HB2 GLU A 36 -16.267 7.991 -9.300 1.00 62.15 H new ATOM 0 HB3 GLU A 36 -15.508 9.151 -10.372 1.00 62.15 H new ATOM 0 HG2 GLU A 36 -15.711 7.699 -12.059 1.00 1.40 H new ATOM 0 HG3 GLU A 36 -14.605 6.613 -11.242 1.00 1.40 H new ATOM 566 N GLU A 37 -13.358 5.705 -9.156 1.00 44.45 N ATOM 567 CA GLU A 37 -13.218 4.358 -8.618 1.00 71.50 C ATOM 568 C GLU A 37 -11.760 4.052 -8.287 1.00 70.03 C ATOM 569 O GLU A 37 -11.411 2.917 -7.964 1.00 4.21 O ATOM 570 CB GLU A 37 -13.753 3.328 -9.616 1.00 22.13 C ATOM 571 CG GLU A 37 -14.971 2.571 -9.115 1.00 34.01 C ATOM 572 CD GLU A 37 -15.410 1.476 -10.068 1.00 13.12 C ATOM 573 OE1 GLU A 37 -16.057 1.801 -11.086 1.00 33.44 O ATOM 574 OE2 GLU A 37 -15.107 0.296 -9.796 1.00 73.31 O ATOM 0 H GLU A 37 -12.882 5.856 -10.045 1.00 44.45 H new ATOM 0 HA GLU A 37 -13.801 4.300 -7.699 1.00 71.50 H new ATOM 0 HB2 GLU A 37 -14.008 3.835 -10.547 1.00 22.13 H new ATOM 0 HB3 GLU A 37 -12.962 2.615 -9.848 1.00 22.13 H new ATOM 0 HG2 GLU A 37 -14.747 2.133 -8.142 1.00 34.01 H new ATOM 0 HG3 GLU A 37 -15.794 3.271 -8.968 1.00 34.01 H new ATOM 581 N ALA A 38 -10.914 5.073 -8.372 1.00 2.22 N ATOM 582 CA ALA A 38 -9.494 4.915 -8.080 1.00 54.25 C ATOM 583 C ALA A 38 -9.224 5.035 -6.584 1.00 52.45 C ATOM 584 O ALA A 38 -9.932 5.731 -5.855 1.00 61.43 O ATOM 585 CB ALA A 38 -8.680 5.944 -8.850 1.00 42.32 C ATOM 0 H ALA A 38 -11.187 6.018 -8.641 1.00 2.22 H new ATOM 0 HA ALA A 38 -9.192 3.917 -8.397 1.00 54.25 H new ATOM 0 HB1 ALA A 38 -7.622 5.815 -8.623 1.00 42.32 H new ATOM 0 HB2 ALA A 38 -8.841 5.809 -9.920 1.00 42.32 H new ATOM 0 HB3 ALA A 38 -8.994 6.947 -8.560 1.00 42.32 H new ATOM 591 N PRO A 39 -8.177 4.342 -6.114 1.00 2.21 N ATOM 592 CA PRO A 39 -7.790 4.355 -4.700 1.00 44.31 C ATOM 593 C PRO A 39 -7.218 5.701 -4.268 1.00 42.32 C ATOM 594 O PRO A 39 -6.955 6.572 -5.099 1.00 74.45 O ATOM 595 CB PRO A 39 -6.717 3.267 -4.616 1.00 64.21 C ATOM 596 CG PRO A 39 -6.152 3.185 -5.992 1.00 62.42 C ATOM 597 CD PRO A 39 -7.290 3.493 -6.926 1.00 25.41 C ATOM 0 HA PRO A 39 -8.643 4.184 -4.043 1.00 44.31 H new ATOM 0 HB2 PRO A 39 -5.948 3.524 -3.887 1.00 64.21 H new ATOM 0 HB3 PRO A 39 -7.144 2.313 -4.306 1.00 64.21 H new ATOM 0 HG2 PRO A 39 -5.337 3.897 -6.122 1.00 62.42 H new ATOM 0 HG3 PRO A 39 -5.744 2.193 -6.188 1.00 62.42 H new ATOM 0 HD2 PRO A 39 -6.946 4.011 -7.821 1.00 25.41 H new ATOM 0 HD3 PRO A 39 -7.795 2.586 -7.257 1.00 25.41 H new ATOM 605 N LEU A 40 -7.026 5.866 -2.964 1.00 53.30 N ATOM 606 CA LEU A 40 -6.484 7.107 -2.421 1.00 55.23 C ATOM 607 C LEU A 40 -5.038 7.309 -2.862 1.00 73.23 C ATOM 608 O LEU A 40 -4.592 8.438 -3.071 1.00 34.32 O ATOM 609 CB LEU A 40 -6.567 7.098 -0.894 1.00 32.12 C ATOM 610 CG LEU A 40 -5.662 8.093 -0.167 1.00 21.45 C ATOM 611 CD1 LEU A 40 -6.133 9.518 -0.408 1.00 1.31 C ATOM 612 CD2 LEU A 40 -5.623 7.787 1.324 1.00 64.03 C ATOM 0 H LEU A 40 -7.238 5.156 -2.263 1.00 53.30 H new ATOM 0 HA LEU A 40 -7.081 7.934 -2.806 1.00 55.23 H new ATOM 0 HB2 LEU A 40 -7.599 7.298 -0.605 1.00 32.12 H new ATOM 0 HB3 LEU A 40 -6.326 6.095 -0.543 1.00 32.12 H new ATOM 0 HG LEU A 40 -4.652 7.994 -0.565 1.00 21.45 H new ATOM 0 HD11 LEU A 40 -5.477 10.212 0.117 1.00 1.31 H new ATOM 0 HD12 LEU A 40 -6.109 9.734 -1.476 1.00 1.31 H new ATOM 0 HD13 LEU A 40 -7.152 9.632 -0.038 1.00 1.31 H new ATOM 0 HD21 LEU A 40 -4.974 8.505 1.826 1.00 64.03 H new ATOM 0 HD22 LEU A 40 -6.630 7.857 1.736 1.00 64.03 H new ATOM 0 HD23 LEU A 40 -5.237 6.779 1.479 1.00 64.03 H new ATOM 624 N THR A 41 -4.309 6.206 -3.005 1.00 52.20 N ATOM 625 CA THR A 41 -2.914 6.261 -3.422 1.00 40.34 C ATOM 626 C THR A 41 -2.746 7.124 -4.668 1.00 13.11 C ATOM 627 O THR A 41 -1.703 7.746 -4.868 1.00 14.13 O ATOM 628 CB THR A 41 -2.357 4.854 -3.708 1.00 71.21 C ATOM 629 OG1 THR A 41 -3.384 4.024 -4.262 1.00 61.14 O ATOM 630 CG2 THR A 41 -1.815 4.218 -2.437 1.00 33.12 C ATOM 0 H THR A 41 -4.662 5.264 -2.838 1.00 52.20 H new ATOM 0 HA THR A 41 -2.355 6.704 -2.598 1.00 40.34 H new ATOM 0 HB THR A 41 -1.541 4.949 -4.424 1.00 71.21 H new ATOM 0 HG1 THR A 41 -3.021 3.132 -4.443 1.00 61.14 H new ATOM 0 HG21 THR A 41 -1.427 3.225 -2.664 1.00 33.12 H new ATOM 0 HG22 THR A 41 -1.014 4.837 -2.033 1.00 33.12 H new ATOM 0 HG23 THR A 41 -2.615 4.136 -1.702 1.00 33.12 H new ATOM 638 N ALA A 42 -3.780 7.158 -5.502 1.00 71.34 N ATOM 639 CA ALA A 42 -3.748 7.947 -6.727 1.00 43.03 C ATOM 640 C ALA A 42 -3.523 9.424 -6.423 1.00 11.32 C ATOM 641 O ALA A 42 -2.794 10.111 -7.138 1.00 14.32 O ATOM 642 CB ALA A 42 -5.038 7.758 -7.511 1.00 61.03 C ATOM 0 H ALA A 42 -4.650 6.648 -5.351 1.00 71.34 H new ATOM 0 HA ALA A 42 -2.913 7.596 -7.333 1.00 43.03 H new ATOM 0 HB1 ALA A 42 -5.000 8.353 -8.423 1.00 61.03 H new ATOM 0 HB2 ALA A 42 -5.156 6.706 -7.769 1.00 61.03 H new ATOM 0 HB3 ALA A 42 -5.884 8.080 -6.903 1.00 61.03 H new ATOM 648 N ALA A 43 -4.155 9.907 -5.357 1.00 65.35 N ATOM 649 CA ALA A 43 -4.022 11.302 -4.958 1.00 52.20 C ATOM 650 C ALA A 43 -2.686 11.551 -4.266 1.00 72.13 C ATOM 651 O ALA A 43 -2.148 12.658 -4.312 1.00 53.20 O ATOM 652 CB ALA A 43 -5.173 11.702 -4.046 1.00 71.45 C ATOM 0 H ALA A 43 -4.764 9.352 -4.755 1.00 65.35 H new ATOM 0 HA ALA A 43 -4.055 11.916 -5.858 1.00 52.20 H new ATOM 0 HB1 ALA A 43 -5.061 12.747 -3.756 1.00 71.45 H new ATOM 0 HB2 ALA A 43 -6.118 11.571 -4.574 1.00 71.45 H new ATOM 0 HB3 ALA A 43 -5.166 11.075 -3.155 1.00 71.45 H new ATOM 658 N LEU A 44 -2.155 10.515 -3.626 1.00 13.55 N ATOM 659 CA LEU A 44 -0.881 10.622 -2.923 1.00 33.20 C ATOM 660 C LEU A 44 0.187 11.234 -3.823 1.00 4.01 C ATOM 661 O LEU A 44 1.113 11.891 -3.346 1.00 20.32 O ATOM 662 CB LEU A 44 -0.427 9.244 -2.438 1.00 34.03 C ATOM 663 CG LEU A 44 0.580 9.236 -1.287 1.00 70.24 C ATOM 664 CD1 LEU A 44 -0.139 9.192 0.052 1.00 73.32 C ATOM 665 CD2 LEU A 44 1.533 8.057 -1.422 1.00 4.52 C ATOM 0 H LEU A 44 -2.586 9.592 -3.579 1.00 13.55 H new ATOM 0 HA LEU A 44 -1.022 11.275 -2.062 1.00 33.20 H new ATOM 0 HB2 LEU A 44 -1.308 8.682 -2.128 1.00 34.03 H new ATOM 0 HB3 LEU A 44 0.011 8.710 -3.281 1.00 34.03 H new ATOM 0 HG LEU A 44 1.162 10.156 -1.332 1.00 70.24 H new ATOM 0 HD11 LEU A 44 0.594 9.187 0.859 1.00 73.32 H new ATOM 0 HD12 LEU A 44 -0.780 10.068 0.150 1.00 73.32 H new ATOM 0 HD13 LEU A 44 -0.747 8.289 0.109 1.00 73.32 H new ATOM 0 HD21 LEU A 44 2.243 8.066 -0.595 1.00 4.52 H new ATOM 0 HD22 LEU A 44 0.966 7.126 -1.403 1.00 4.52 H new ATOM 0 HD23 LEU A 44 2.074 8.133 -2.365 1.00 4.52 H new ATOM 677 N ARG A 45 0.051 11.016 -5.127 1.00 4.12 N ATOM 678 CA ARG A 45 1.005 11.547 -6.094 1.00 14.23 C ATOM 679 C ARG A 45 1.213 13.044 -5.886 1.00 1.45 C ATOM 680 O ARG A 45 2.336 13.502 -5.672 1.00 20.34 O ATOM 681 CB ARG A 45 0.518 11.283 -7.520 1.00 21.53 C ATOM 682 CG ARG A 45 1.554 10.602 -8.400 1.00 35.10 C ATOM 683 CD ARG A 45 1.857 11.426 -9.642 1.00 23.35 C ATOM 684 NE ARG A 45 0.990 11.069 -10.761 1.00 60.20 N ATOM 685 CZ ARG A 45 0.998 11.703 -11.928 1.00 62.23 C ATOM 686 NH1 ARG A 45 1.825 12.720 -12.128 1.00 54.20 N ATOM 687 NH2 ARG A 45 0.179 11.319 -12.899 1.00 11.01 N ATOM 0 H ARG A 45 -0.710 10.476 -5.538 1.00 4.12 H new ATOM 0 HA ARG A 45 1.958 11.040 -5.943 1.00 14.23 H new ATOM 0 HB2 ARG A 45 -0.377 10.663 -7.480 1.00 21.53 H new ATOM 0 HB3 ARG A 45 0.230 12.229 -7.978 1.00 21.53 H new ATOM 0 HG2 ARG A 45 2.471 10.448 -7.832 1.00 35.10 H new ATOM 0 HG3 ARG A 45 1.192 9.617 -8.695 1.00 35.10 H new ATOM 0 HD2 ARG A 45 1.736 12.485 -9.413 1.00 23.35 H new ATOM 0 HD3 ARG A 45 2.898 11.279 -9.929 1.00 23.35 H new ATOM 0 HE ARG A 45 0.343 10.290 -10.640 1.00 60.20 H new ATOM 0 HH11 ARG A 45 2.457 13.017 -11.385 1.00 54.20 H new ATOM 0 HH12 ARG A 45 1.829 13.205 -13.025 1.00 54.20 H new ATOM 0 HH21 ARG A 45 -0.458 10.536 -12.749 1.00 11.01 H new ATOM 0 HH22 ARG A 45 0.186 11.807 -13.795 1.00 11.01 H new ATOM 701 N PHE A 46 0.124 13.803 -5.950 1.00 72.23 N ATOM 702 CA PHE A 46 0.187 15.249 -5.771 1.00 21.55 C ATOM 703 C PHE A 46 0.093 15.618 -4.293 1.00 34.40 C ATOM 704 O PHE A 46 0.699 16.590 -3.845 1.00 50.32 O ATOM 705 CB PHE A 46 -0.938 15.931 -6.551 1.00 75.41 C ATOM 706 CG PHE A 46 -0.588 16.213 -7.984 1.00 53.21 C ATOM 707 CD1 PHE A 46 -0.588 17.512 -8.468 1.00 22.52 C ATOM 708 CD2 PHE A 46 -0.260 15.180 -8.848 1.00 13.45 C ATOM 709 CE1 PHE A 46 -0.266 17.775 -9.786 1.00 3.21 C ATOM 710 CE2 PHE A 46 0.063 15.438 -10.166 1.00 60.03 C ATOM 711 CZ PHE A 46 0.059 16.737 -10.636 1.00 61.34 C ATOM 0 H PHE A 46 -0.813 13.440 -6.125 1.00 72.23 H new ATOM 0 HA PHE A 46 1.147 15.596 -6.154 1.00 21.55 H new ATOM 0 HB2 PHE A 46 -1.826 15.299 -6.520 1.00 75.41 H new ATOM 0 HB3 PHE A 46 -1.196 16.868 -6.057 1.00 75.41 H new ATOM 0 HD1 PHE A 46 -0.843 18.328 -7.808 1.00 22.52 H new ATOM 0 HD2 PHE A 46 -0.257 14.162 -8.487 1.00 13.45 H new ATOM 0 HE1 PHE A 46 -0.269 18.792 -10.151 1.00 3.21 H new ATOM 0 HE2 PHE A 46 0.319 14.624 -10.829 1.00 60.03 H new ATOM 0 HZ PHE A 46 0.310 16.940 -11.667 1.00 61.34 H new ATOM 721 N ALA A 47 -0.673 14.833 -3.541 1.00 50.42 N ATOM 722 CA ALA A 47 -0.846 15.076 -2.114 1.00 74.14 C ATOM 723 C ALA A 47 0.495 15.072 -1.390 1.00 4.51 C ATOM 724 O ALA A 47 0.681 15.786 -0.405 1.00 22.14 O ATOM 725 CB ALA A 47 -1.777 14.034 -1.511 1.00 62.02 C ATOM 0 H ALA A 47 -1.183 14.024 -3.896 1.00 50.42 H new ATOM 0 HA ALA A 47 -1.293 16.062 -1.990 1.00 74.14 H new ATOM 0 HB1 ALA A 47 -1.898 14.227 -0.445 1.00 62.02 H new ATOM 0 HB2 ALA A 47 -2.749 14.087 -2.002 1.00 62.02 H new ATOM 0 HB3 ALA A 47 -1.352 13.040 -1.654 1.00 62.02 H new ATOM 731 N ALA A 48 1.427 14.264 -1.884 1.00 44.33 N ATOM 732 CA ALA A 48 2.752 14.169 -1.284 1.00 45.44 C ATOM 733 C ALA A 48 3.522 15.477 -1.442 1.00 74.45 C ATOM 734 O ALA A 48 4.398 15.792 -0.639 1.00 1.15 O ATOM 735 CB ALA A 48 3.531 13.018 -1.904 1.00 41.41 C ATOM 0 H ALA A 48 1.289 13.666 -2.698 1.00 44.33 H new ATOM 0 HA ALA A 48 2.628 13.977 -0.218 1.00 45.44 H new ATOM 0 HB1 ALA A 48 4.519 12.959 -1.446 1.00 41.41 H new ATOM 0 HB2 ALA A 48 2.996 12.084 -1.735 1.00 41.41 H new ATOM 0 HB3 ALA A 48 3.637 13.186 -2.976 1.00 41.41 H new ATOM 741 N GLU A 49 3.188 16.232 -2.484 1.00 53.21 N ATOM 742 CA GLU A 49 3.849 17.505 -2.747 1.00 63.31 C ATOM 743 C GLU A 49 3.247 18.618 -1.894 1.00 62.41 C ATOM 744 O GLU A 49 3.968 19.442 -1.333 1.00 61.01 O ATOM 745 CB GLU A 49 3.737 17.866 -4.230 1.00 3.23 C ATOM 746 CG GLU A 49 3.967 16.689 -5.162 1.00 70.13 C ATOM 747 CD GLU A 49 4.249 17.121 -6.588 1.00 71.43 C ATOM 748 OE1 GLU A 49 3.810 18.226 -6.971 1.00 32.52 O ATOM 749 OE2 GLU A 49 4.908 16.354 -7.322 1.00 13.34 O ATOM 0 H GLU A 49 2.464 15.985 -3.159 1.00 53.21 H new ATOM 0 HA GLU A 49 4.902 17.400 -2.484 1.00 63.31 H new ATOM 0 HB2 GLU A 49 2.747 18.281 -4.420 1.00 3.23 H new ATOM 0 HB3 GLU A 49 4.461 18.648 -4.461 1.00 3.23 H new ATOM 0 HG2 GLU A 49 4.804 16.097 -4.793 1.00 70.13 H new ATOM 0 HG3 GLU A 49 3.089 16.043 -5.149 1.00 70.13 H new ATOM 756 N GLU A 50 1.921 18.633 -1.803 1.00 0.44 N ATOM 757 CA GLU A 50 1.222 19.646 -1.019 1.00 61.44 C ATOM 758 C GLU A 50 1.585 19.536 0.459 1.00 52.12 C ATOM 759 O GLU A 50 1.484 20.508 1.208 1.00 44.12 O ATOM 760 CB GLU A 50 -0.291 19.504 -1.196 1.00 51.24 C ATOM 761 CG GLU A 50 -0.941 18.588 -0.173 1.00 64.31 C ATOM 762 CD GLU A 50 -2.218 17.952 -0.687 1.00 11.43 C ATOM 763 OE1 GLU A 50 -2.641 18.297 -1.810 1.00 61.54 O ATOM 764 OE2 GLU A 50 -2.795 17.112 0.034 1.00 22.23 O ATOM 0 H GLU A 50 1.310 17.957 -2.261 1.00 0.44 H new ATOM 0 HA GLU A 50 1.533 20.627 -1.379 1.00 61.44 H new ATOM 0 HB2 GLU A 50 -0.750 20.491 -1.131 1.00 51.24 H new ATOM 0 HB3 GLU A 50 -0.497 19.122 -2.196 1.00 51.24 H new ATOM 0 HG2 GLU A 50 -0.237 17.805 0.107 1.00 64.31 H new ATOM 0 HG3 GLU A 50 -1.161 19.157 0.730 1.00 64.31 H new ATOM 771 N PHE A 51 2.006 18.345 0.872 1.00 43.51 N ATOM 772 CA PHE A 51 2.383 18.107 2.260 1.00 14.25 C ATOM 773 C PHE A 51 3.898 18.001 2.403 1.00 61.34 C ATOM 774 O PHE A 51 4.446 18.192 3.488 1.00 72.15 O ATOM 775 CB PHE A 51 1.719 16.829 2.779 1.00 44.43 C ATOM 776 CG PHE A 51 0.972 17.022 4.067 1.00 24.05 C ATOM 777 CD1 PHE A 51 1.654 17.274 5.247 1.00 14.14 C ATOM 778 CD2 PHE A 51 -0.411 16.950 4.099 1.00 0.31 C ATOM 779 CE1 PHE A 51 0.969 17.452 6.435 1.00 2.21 C ATOM 780 CE2 PHE A 51 -1.101 17.128 5.283 1.00 24.15 C ATOM 781 CZ PHE A 51 -0.410 17.378 6.453 1.00 23.11 C ATOM 0 H PHE A 51 2.095 17.530 0.265 1.00 43.51 H new ATOM 0 HA PHE A 51 2.039 18.954 2.854 1.00 14.25 H new ATOM 0 HB2 PHE A 51 1.031 16.454 2.022 1.00 44.43 H new ATOM 0 HB3 PHE A 51 2.483 16.065 2.922 1.00 44.43 H new ATOM 0 HD1 PHE A 51 2.732 17.332 5.239 1.00 14.14 H new ATOM 0 HD2 PHE A 51 -0.956 16.752 3.188 1.00 0.31 H new ATOM 0 HE1 PHE A 51 1.512 17.649 7.348 1.00 2.21 H new ATOM 0 HE2 PHE A 51 -2.179 17.072 5.294 1.00 24.15 H new ATOM 0 HZ PHE A 51 -0.947 17.515 7.380 1.00 23.11 H new ATOM 791 N GLY A 52 4.570 17.693 1.297 1.00 2.23 N ATOM 792 CA GLY A 52 6.016 17.566 1.319 1.00 33.43 C ATOM 793 C GLY A 52 6.482 16.403 2.173 1.00 1.43 C ATOM 794 O GLY A 52 7.666 16.296 2.494 1.00 2.31 O ATOM 0 H GLY A 52 4.139 17.529 0.387 1.00 2.23 H new ATOM 0 HA2 GLY A 52 6.382 17.435 0.301 1.00 33.43 H new ATOM 0 HA3 GLY A 52 6.453 18.490 1.698 1.00 33.43 H new ATOM 798 N ILE A 53 5.550 15.532 2.544 1.00 70.12 N ATOM 799 CA ILE A 53 5.873 14.373 3.366 1.00 35.43 C ATOM 800 C ILE A 53 4.937 13.207 3.064 1.00 30.13 C ATOM 801 O ILE A 53 4.115 13.278 2.152 1.00 53.14 O ATOM 802 CB ILE A 53 5.790 14.707 4.867 1.00 31.15 C ATOM 803 CG1 ILE A 53 4.352 15.057 5.256 1.00 50.11 C ATOM 804 CG2 ILE A 53 6.730 15.854 5.207 1.00 23.53 C ATOM 805 CD1 ILE A 53 4.186 15.387 6.723 1.00 74.13 C ATOM 0 H ILE A 53 4.565 15.607 2.288 1.00 70.12 H new ATOM 0 HA ILE A 53 6.896 14.088 3.121 1.00 35.43 H new ATOM 0 HB ILE A 53 6.097 13.830 5.436 1.00 31.15 H new ATOM 0 HG12 ILE A 53 4.020 15.908 4.661 1.00 50.11 H new ATOM 0 HG13 ILE A 53 3.702 14.219 5.005 1.00 50.11 H new ATOM 0 HG21 ILE A 53 6.660 16.078 6.271 1.00 23.53 H new ATOM 0 HG22 ILE A 53 7.754 15.570 4.963 1.00 23.53 H new ATOM 0 HG23 ILE A 53 6.451 16.736 4.631 1.00 23.53 H new ATOM 0 HD11 ILE A 53 3.142 15.625 6.927 1.00 74.13 H new ATOM 0 HD12 ILE A 53 4.487 14.530 7.325 1.00 74.13 H new ATOM 0 HD13 ILE A 53 4.810 16.244 6.976 1.00 74.13 H new ATOM 817 N ALA A 54 5.068 12.135 3.839 1.00 75.34 N ATOM 818 CA ALA A 54 4.231 10.955 3.657 1.00 63.33 C ATOM 819 C ALA A 54 4.038 10.211 4.974 1.00 72.33 C ATOM 820 O ALA A 54 4.771 9.271 5.280 1.00 5.14 O ATOM 821 CB ALA A 54 4.841 10.032 2.612 1.00 73.03 C ATOM 0 H ALA A 54 5.745 12.059 4.598 1.00 75.34 H new ATOM 0 HA ALA A 54 3.252 11.284 3.309 1.00 63.33 H new ATOM 0 HB1 ALA A 54 4.206 9.155 2.486 1.00 73.03 H new ATOM 0 HB2 ALA A 54 4.922 10.561 1.662 1.00 73.03 H new ATOM 0 HB3 ALA A 54 5.833 9.718 2.938 1.00 73.03 H new ATOM 827 N SER A 55 3.046 10.638 5.749 1.00 22.40 N ATOM 828 CA SER A 55 2.759 10.014 7.036 1.00 43.42 C ATOM 829 C SER A 55 1.567 10.685 7.711 1.00 53.35 C ATOM 830 O SER A 55 0.468 10.131 7.750 1.00 41.13 O ATOM 831 CB SER A 55 3.985 10.091 7.948 1.00 62.31 C ATOM 832 OG SER A 55 3.620 9.928 9.307 1.00 22.24 O ATOM 0 H SER A 55 2.428 11.413 5.509 1.00 22.40 H new ATOM 0 HA SER A 55 2.512 8.967 6.858 1.00 43.42 H new ATOM 0 HB2 SER A 55 4.701 9.320 7.665 1.00 62.31 H new ATOM 0 HB3 SER A 55 4.482 11.052 7.814 1.00 62.31 H new ATOM 0 HG SER A 55 4.421 9.979 9.869 1.00 22.24 H new ATOM 838 N VAL A 56 1.792 11.883 8.241 1.00 12.12 N ATOM 839 CA VAL A 56 0.737 12.632 8.914 1.00 72.31 C ATOM 840 C VAL A 56 -0.315 13.112 7.921 1.00 73.24 C ATOM 841 O VAL A 56 -1.451 13.402 8.296 1.00 75.11 O ATOM 842 CB VAL A 56 1.306 13.847 9.670 1.00 13.00 C ATOM 843 CG1 VAL A 56 0.201 14.573 10.422 1.00 11.03 C ATOM 844 CG2 VAL A 56 2.412 13.413 10.619 1.00 3.13 C ATOM 0 H VAL A 56 2.695 12.356 8.217 1.00 12.12 H new ATOM 0 HA VAL A 56 0.274 11.953 9.630 1.00 72.31 H new ATOM 0 HB VAL A 56 1.733 14.538 8.943 1.00 13.00 H new ATOM 0 HG11 VAL A 56 0.622 15.429 10.950 1.00 11.03 H new ATOM 0 HG12 VAL A 56 -0.554 14.918 9.716 1.00 11.03 H new ATOM 0 HG13 VAL A 56 -0.258 13.893 11.140 1.00 11.03 H new ATOM 0 HG21 VAL A 56 2.803 14.284 11.145 1.00 3.13 H new ATOM 0 HG22 VAL A 56 2.013 12.702 11.342 1.00 3.13 H new ATOM 0 HG23 VAL A 56 3.214 12.942 10.051 1.00 3.13 H new ATOM 854 N ASP A 57 0.070 13.193 6.652 1.00 22.10 N ATOM 855 CA ASP A 57 -0.840 13.637 5.603 1.00 75.51 C ATOM 856 C ASP A 57 -2.008 12.667 5.451 1.00 70.51 C ATOM 857 O ASP A 57 -3.026 12.996 4.843 1.00 72.35 O ATOM 858 CB ASP A 57 -0.095 13.769 4.274 1.00 54.51 C ATOM 859 CG ASP A 57 0.264 12.424 3.674 1.00 15.12 C ATOM 860 OD1 ASP A 57 0.746 11.550 4.424 1.00 30.51 O ATOM 861 OD2 ASP A 57 0.061 12.245 2.455 1.00 1.51 O ATOM 0 H ASP A 57 1.007 12.957 6.325 1.00 22.10 H new ATOM 0 HA ASP A 57 -1.235 14.612 5.888 1.00 75.51 H new ATOM 0 HB2 ASP A 57 -0.713 14.325 3.569 1.00 54.51 H new ATOM 0 HB3 ASP A 57 0.815 14.349 4.427 1.00 54.51 H new ATOM 866 N SER A 58 -1.852 11.469 6.007 1.00 54.30 N ATOM 867 CA SER A 58 -2.892 10.449 5.929 1.00 3.40 C ATOM 868 C SER A 58 -4.182 10.937 6.581 1.00 3.41 C ATOM 869 O SER A 58 -5.276 10.514 6.210 1.00 31.13 O ATOM 870 CB SER A 58 -2.422 9.160 6.604 1.00 23.44 C ATOM 871 OG SER A 58 -3.359 8.114 6.414 1.00 23.41 O ATOM 0 H SER A 58 -1.016 11.181 6.516 1.00 54.30 H new ATOM 0 HA SER A 58 -3.091 10.248 4.876 1.00 3.40 H new ATOM 0 HB2 SER A 58 -1.455 8.864 6.197 1.00 23.44 H new ATOM 0 HB3 SER A 58 -2.279 9.335 7.670 1.00 23.44 H new ATOM 0 HG SER A 58 -3.035 7.300 6.854 1.00 23.41 H new ATOM 877 N MET A 59 -4.044 11.831 7.555 1.00 23.11 N ATOM 878 CA MET A 59 -5.198 12.378 8.259 1.00 42.21 C ATOM 879 C MET A 59 -4.878 13.751 8.843 1.00 61.51 C ATOM 880 O MET A 59 -4.659 13.888 10.046 1.00 22.40 O ATOM 881 CB MET A 59 -5.641 11.428 9.373 1.00 64.41 C ATOM 882 CG MET A 59 -7.002 11.769 9.958 1.00 65.23 C ATOM 883 SD MET A 59 -6.987 11.831 11.760 1.00 53.14 S ATOM 884 CE MET A 59 -7.687 10.232 12.159 1.00 34.42 C ATOM 0 H MET A 59 -3.145 12.192 7.874 1.00 23.11 H new ATOM 0 HA MET A 59 -6.011 12.488 7.541 1.00 42.21 H new ATOM 0 HB2 MET A 59 -5.667 10.411 8.983 1.00 64.41 H new ATOM 0 HB3 MET A 59 -4.898 11.444 10.170 1.00 64.41 H new ATOM 0 HG2 MET A 59 -7.330 12.733 9.568 1.00 65.23 H new ATOM 0 HG3 MET A 59 -7.730 11.028 9.630 1.00 65.23 H new ATOM 0 HE1 MET A 59 -7.743 10.119 13.242 1.00 34.42 H new ATOM 0 HE2 MET A 59 -8.688 10.157 11.734 1.00 34.42 H new ATOM 0 HE3 MET A 59 -7.057 9.445 11.745 1.00 34.42 H new ATOM 894 N ALA A 60 -4.853 14.763 7.983 1.00 43.42 N ATOM 895 CA ALA A 60 -4.561 16.125 8.414 1.00 33.13 C ATOM 896 C ALA A 60 -5.300 17.144 7.553 1.00 31.32 C ATOM 897 O ALA A 60 -4.692 17.846 6.747 1.00 45.42 O ATOM 898 CB ALA A 60 -3.062 16.383 8.371 1.00 34.34 C ATOM 0 H ALA A 60 -5.031 14.666 6.983 1.00 43.42 H new ATOM 0 HA ALA A 60 -4.908 16.236 9.441 1.00 33.13 H new ATOM 0 HB1 ALA A 60 -2.859 17.404 8.695 1.00 34.34 H new ATOM 0 HB2 ALA A 60 -2.553 15.684 9.034 1.00 34.34 H new ATOM 0 HB3 ALA A 60 -2.698 16.247 7.352 1.00 34.34 H new ATOM 904 N ALA A 61 -6.615 17.218 7.729 1.00 33.43 N ATOM 905 CA ALA A 61 -7.437 18.151 6.969 1.00 5.50 C ATOM 906 C ALA A 61 -8.816 18.309 7.600 1.00 61.11 C ATOM 907 O ALA A 61 -9.305 17.408 8.282 1.00 73.33 O ATOM 908 CB ALA A 61 -7.564 17.688 5.525 1.00 30.15 C ATOM 0 H ALA A 61 -7.134 16.642 8.392 1.00 33.43 H new ATOM 0 HA ALA A 61 -6.946 19.124 6.985 1.00 5.50 H new ATOM 0 HB1 ALA A 61 -8.181 18.394 4.969 1.00 30.15 H new ATOM 0 HB2 ALA A 61 -6.574 17.635 5.071 1.00 30.15 H new ATOM 0 HB3 ALA A 61 -8.028 16.702 5.498 1.00 30.15 H new ATOM 914 N THR A 62 -9.439 19.460 7.369 1.00 13.20 N ATOM 915 CA THR A 62 -10.762 19.737 7.916 1.00 25.52 C ATOM 916 C THR A 62 -11.704 20.261 6.839 1.00 60.42 C ATOM 917 O THR A 62 -11.293 21.003 5.946 1.00 23.22 O ATOM 918 CB THR A 62 -10.692 20.761 9.064 1.00 44.51 C ATOM 919 OG1 THR A 62 -10.151 21.998 8.584 1.00 20.35 O ATOM 920 CG2 THR A 62 -9.835 20.237 10.207 1.00 72.15 C ATOM 0 H THR A 62 -9.049 20.216 6.807 1.00 13.20 H new ATOM 0 HA THR A 62 -11.147 18.794 8.303 1.00 25.52 H new ATOM 0 HB THR A 62 -11.703 20.926 9.436 1.00 44.51 H new ATOM 0 HG1 THR A 62 -10.272 22.694 9.264 1.00 20.35 H new ATOM 0 HG21 THR A 62 -9.801 20.978 11.006 1.00 72.15 H new ATOM 0 HG22 THR A 62 -10.265 19.311 10.589 1.00 72.15 H new ATOM 0 HG23 THR A 62 -8.824 20.046 9.846 1.00 72.15 H new ATOM 928 N THR A 63 -12.972 19.871 6.927 1.00 21.23 N ATOM 929 CA THR A 63 -13.973 20.301 5.960 1.00 52.04 C ATOM 930 C THR A 63 -14.591 21.635 6.364 1.00 60.32 C ATOM 931 O THR A 63 -14.480 22.059 7.514 1.00 14.03 O ATOM 932 CB THR A 63 -15.093 19.255 5.807 1.00 32.41 C ATOM 933 OG1 THR A 63 -14.576 17.943 6.059 1.00 11.33 O ATOM 934 CG2 THR A 63 -15.697 19.308 4.412 1.00 61.42 C ATOM 0 H THR A 63 -13.330 19.257 7.659 1.00 21.23 H new ATOM 0 HA THR A 63 -13.460 20.415 5.005 1.00 52.04 H new ATOM 0 HB THR A 63 -15.874 19.483 6.532 1.00 32.41 H new ATOM 0 HG1 THR A 63 -14.127 17.608 5.255 1.00 11.33 H new ATOM 0 HG21 THR A 63 -16.486 18.560 4.328 1.00 61.42 H new ATOM 0 HG22 THR A 63 -16.116 20.298 4.234 1.00 61.42 H new ATOM 0 HG23 THR A 63 -14.923 19.103 3.672 1.00 61.42 H new ATOM 942 N LYS A 64 -15.243 22.293 5.411 1.00 63.51 N ATOM 943 CA LYS A 64 -15.881 23.578 5.667 1.00 2.22 C ATOM 944 C LYS A 64 -17.013 23.432 6.679 1.00 23.41 C ATOM 945 O LYS A 64 -17.360 24.383 7.379 1.00 43.43 O ATOM 946 CB LYS A 64 -16.421 24.172 4.364 1.00 30.41 C ATOM 947 CG LYS A 64 -15.430 24.117 3.214 1.00 32.02 C ATOM 948 CD LYS A 64 -15.366 25.440 2.470 1.00 1.32 C ATOM 949 CE LYS A 64 -13.958 25.734 1.976 1.00 2.11 C ATOM 950 NZ LYS A 64 -13.962 26.338 0.615 1.00 73.33 N ATOM 0 H LYS A 64 -15.343 21.956 4.453 1.00 63.51 H new ATOM 0 HA LYS A 64 -15.131 24.251 6.082 1.00 2.22 H new ATOM 0 HB2 LYS A 64 -17.326 23.637 4.078 1.00 30.41 H new ATOM 0 HB3 LYS A 64 -16.706 25.210 4.538 1.00 30.41 H new ATOM 0 HG2 LYS A 64 -14.441 23.865 3.597 1.00 32.02 H new ATOM 0 HG3 LYS A 64 -15.716 23.324 2.524 1.00 32.02 H new ATOM 0 HD2 LYS A 64 -16.052 25.416 1.623 1.00 1.32 H new ATOM 0 HD3 LYS A 64 -15.698 26.244 3.127 1.00 1.32 H new ATOM 0 HE2 LYS A 64 -13.463 26.411 2.672 1.00 2.11 H new ATOM 0 HE3 LYS A 64 -13.378 24.811 1.962 1.00 2.11 H new ATOM 0 HZ1 LYS A 64 -13.680 25.621 -0.084 1.00 73.33 H new ATOM 0 HZ2 LYS A 64 -14.917 26.683 0.391 1.00 73.33 H new ATOM 0 HZ3 LYS A 64 -13.291 27.132 0.586 1.00 73.33 H new ATOM 964 N ASP A 65 -17.583 22.234 6.752 1.00 13.22 N ATOM 965 CA ASP A 65 -18.675 21.963 7.681 1.00 65.43 C ATOM 966 C ASP A 65 -18.150 21.804 9.104 1.00 2.14 C ATOM 967 O ASP A 65 -18.888 21.981 10.072 1.00 34.43 O ATOM 968 CB ASP A 65 -19.430 20.701 7.259 1.00 44.22 C ATOM 969 CG ASP A 65 -20.934 20.878 7.323 1.00 1.13 C ATOM 970 OD1 ASP A 65 -21.511 21.410 6.352 1.00 74.43 O ATOM 971 OD2 ASP A 65 -21.534 20.484 8.345 1.00 2.31 O ATOM 0 H ASP A 65 -17.308 21.436 6.180 1.00 13.22 H new ATOM 0 HA ASP A 65 -19.359 22.811 7.658 1.00 65.43 H new ATOM 0 HB2 ASP A 65 -19.142 20.431 6.243 1.00 44.22 H new ATOM 0 HB3 ASP A 65 -19.137 19.873 7.904 1.00 44.22 H new ATOM 976 N GLY A 66 -16.869 21.469 9.224 1.00 63.42 N ATOM 977 CA GLY A 66 -16.267 21.291 10.533 1.00 74.45 C ATOM 978 C GLY A 66 -15.045 20.395 10.492 1.00 41.20 C ATOM 979 O GLY A 66 -13.988 20.795 10.002 1.00 12.43 O ATOM 0 H GLY A 66 -16.237 21.318 8.438 1.00 63.42 H new ATOM 0 HA2 GLY A 66 -15.987 22.264 10.936 1.00 74.45 H new ATOM 0 HA3 GLY A 66 -17.004 20.864 11.213 1.00 74.45 H new ATOM 983 N THR A 67 -15.187 19.179 11.010 1.00 65.13 N ATOM 984 CA THR A 67 -14.085 18.225 11.033 1.00 4.34 C ATOM 985 C THR A 67 -13.946 17.512 9.693 1.00 2.13 C ATOM 986 O THR A 67 -14.937 17.245 9.016 1.00 72.13 O ATOM 987 CB THR A 67 -14.275 17.175 12.144 1.00 64.11 C ATOM 988 OG1 THR A 67 -15.606 16.650 12.099 1.00 13.35 O ATOM 989 CG2 THR A 67 -14.008 17.781 13.513 1.00 12.05 C ATOM 0 H THR A 67 -16.054 18.832 11.419 1.00 65.13 H new ATOM 0 HA THR A 67 -13.178 18.795 11.233 1.00 4.34 H new ATOM 0 HB THR A 67 -13.561 16.368 11.977 1.00 64.11 H new ATOM 0 HG1 THR A 67 -15.718 15.982 12.807 1.00 13.35 H new ATOM 0 HG21 THR A 67 -14.148 17.021 14.281 1.00 12.05 H new ATOM 0 HG22 THR A 67 -12.984 18.152 13.553 1.00 12.05 H new ATOM 0 HG23 THR A 67 -14.700 18.605 13.687 1.00 12.05 H new ATOM 997 N GLY A 68 -12.708 17.205 9.317 1.00 50.44 N ATOM 998 CA GLY A 68 -12.463 16.525 8.058 1.00 3.05 C ATOM 999 C GLY A 68 -11.783 15.184 8.248 1.00 65.42 C ATOM 1000 O GLY A 68 -10.576 15.057 8.038 1.00 42.22 O ATOM 0 H GLY A 68 -11.871 17.415 9.861 1.00 50.44 H new ATOM 0 HA2 GLY A 68 -13.409 16.379 7.537 1.00 3.05 H new ATOM 0 HA3 GLY A 68 -11.843 17.157 7.422 1.00 3.05 H new ATOM 1004 N ILE A 69 -12.557 14.181 8.647 1.00 20.50 N ATOM 1005 CA ILE A 69 -12.021 12.843 8.865 1.00 33.42 C ATOM 1006 C ILE A 69 -11.870 12.090 7.548 1.00 60.51 C ATOM 1007 O ILE A 69 -12.813 11.994 6.764 1.00 12.10 O ATOM 1008 CB ILE A 69 -12.919 12.024 9.811 1.00 35.13 C ATOM 1009 CG1 ILE A 69 -12.997 12.695 11.184 1.00 12.30 C ATOM 1010 CG2 ILE A 69 -12.395 10.602 9.940 1.00 33.52 C ATOM 1011 CD1 ILE A 69 -14.269 12.380 11.940 1.00 60.12 C ATOM 0 H ILE A 69 -13.557 14.269 8.826 1.00 20.50 H new ATOM 0 HA ILE A 69 -11.040 12.967 9.325 1.00 33.42 H new ATOM 0 HB ILE A 69 -13.923 11.984 9.390 1.00 35.13 H new ATOM 0 HG12 ILE A 69 -12.141 12.381 11.782 1.00 12.30 H new ATOM 0 HG13 ILE A 69 -12.918 13.775 11.057 1.00 12.30 H new ATOM 0 HG21 ILE A 69 -13.040 10.036 10.612 1.00 33.52 H new ATOM 0 HG22 ILE A 69 -12.387 10.127 8.959 1.00 33.52 H new ATOM 0 HG23 ILE A 69 -11.382 10.623 10.342 1.00 33.52 H new ATOM 0 HD11 ILE A 69 -14.255 12.889 12.904 1.00 60.12 H new ATOM 0 HD12 ILE A 69 -15.129 12.719 11.363 1.00 60.12 H new ATOM 0 HD13 ILE A 69 -14.341 11.304 12.099 1.00 60.12 H new ATOM 1023 N ASN A 70 -10.676 11.554 7.312 1.00 13.52 N ATOM 1024 CA ASN A 70 -10.401 10.808 6.090 1.00 72.01 C ATOM 1025 C ASN A 70 -10.245 9.319 6.385 1.00 14.32 C ATOM 1026 O ASN A 70 -9.137 8.801 6.523 1.00 72.01 O ATOM 1027 CB ASN A 70 -9.135 11.341 5.416 1.00 32.11 C ATOM 1028 CG ASN A 70 -8.898 12.809 5.711 1.00 41.53 C ATOM 1029 OD1 ASN A 70 -9.275 13.680 4.926 1.00 12.24 O ATOM 1030 ND2 ASN A 70 -8.269 13.091 6.846 1.00 33.01 N ATOM 0 H ASN A 70 -9.884 11.623 7.951 1.00 13.52 H new ATOM 0 HA ASN A 70 -11.247 10.940 5.415 1.00 72.01 H new ATOM 0 HB2 ASN A 70 -8.276 10.762 5.754 1.00 32.11 H new ATOM 0 HB3 ASN A 70 -9.212 11.198 4.338 1.00 32.11 H new ATOM 0 HD21 ASN A 70 -8.080 14.061 7.097 1.00 33.01 H new ATOM 0 HD22 ASN A 70 -7.974 12.337 7.467 1.00 33.01 H new ATOM 1037 N PRO A 71 -11.382 8.614 6.484 1.00 22.35 N ATOM 1038 CA PRO A 71 -11.398 7.175 6.763 1.00 32.41 C ATOM 1039 C PRO A 71 -10.874 6.351 5.591 1.00 12.34 C ATOM 1040 O PRO A 71 -10.024 5.479 5.765 1.00 70.31 O ATOM 1041 CB PRO A 71 -12.880 6.877 7.005 1.00 11.03 C ATOM 1042 CG PRO A 71 -13.607 7.941 6.258 1.00 12.33 C ATOM 1043 CD PRO A 71 -12.738 9.166 6.332 1.00 52.31 C ATOM 0 HA PRO A 71 -10.754 6.916 7.603 1.00 32.41 H new ATOM 0 HB2 PRO A 71 -13.149 5.885 6.643 1.00 11.03 H new ATOM 0 HB3 PRO A 71 -13.121 6.904 8.068 1.00 11.03 H new ATOM 0 HG2 PRO A 71 -13.777 7.645 5.223 1.00 12.33 H new ATOM 0 HG3 PRO A 71 -14.585 8.129 6.700 1.00 12.33 H new ATOM 0 HD2 PRO A 71 -12.825 9.775 5.432 1.00 52.31 H new ATOM 0 HD3 PRO A 71 -13.010 9.801 7.175 1.00 52.31 H new ATOM 1051 N ALA A 72 -11.387 6.635 4.399 1.00 41.14 N ATOM 1052 CA ALA A 72 -10.968 5.922 3.198 1.00 53.30 C ATOM 1053 C ALA A 72 -10.293 6.865 2.207 1.00 33.23 C ATOM 1054 O ALA A 72 -9.447 6.447 1.418 1.00 24.31 O ATOM 1055 CB ALA A 72 -12.161 5.237 2.548 1.00 32.34 C ATOM 0 H ALA A 72 -12.093 7.353 4.239 1.00 41.14 H new ATOM 0 HA ALA A 72 -10.242 5.164 3.490 1.00 53.30 H new ATOM 0 HB1 ALA A 72 -11.834 4.709 1.653 1.00 32.34 H new ATOM 0 HB2 ALA A 72 -12.599 4.526 3.249 1.00 32.34 H new ATOM 0 HB3 ALA A 72 -12.906 5.985 2.276 1.00 32.34 H new ATOM 1061 N GLN A 73 -10.675 8.137 2.254 1.00 5.22 N ATOM 1062 CA GLN A 73 -10.106 9.138 1.359 1.00 72.11 C ATOM 1063 C GLN A 73 -10.363 8.772 -0.099 1.00 44.13 C ATOM 1064 O GLN A 73 -9.688 9.267 -1.003 1.00 52.12 O ATOM 1065 CB GLN A 73 -8.603 9.278 1.605 1.00 0.11 C ATOM 1066 CG GLN A 73 -8.203 9.080 3.058 1.00 34.23 C ATOM 1067 CD GLN A 73 -6.999 9.913 3.451 1.00 34.04 C ATOM 1068 OE1 GLN A 73 -6.019 9.395 3.987 1.00 34.52 O ATOM 1069 NE2 GLN A 73 -7.067 11.212 3.187 1.00 45.53 N ATOM 0 H GLN A 73 -11.375 8.499 2.901 1.00 5.22 H new ATOM 0 HA GLN A 73 -10.591 10.092 1.566 1.00 72.11 H new ATOM 0 HB2 GLN A 73 -8.073 8.551 0.989 1.00 0.11 H new ATOM 0 HB3 GLN A 73 -8.281 10.267 1.280 1.00 0.11 H new ATOM 0 HG2 GLN A 73 -9.044 9.339 3.701 1.00 34.23 H new ATOM 0 HG3 GLN A 73 -7.983 8.026 3.230 1.00 34.23 H new ATOM 0 HE21 GLN A 73 -7.899 11.599 2.741 1.00 45.53 H new ATOM 0 HE22 GLN A 73 -6.287 11.823 3.430 1.00 45.53 H new ATOM 1078 N THR A 74 -11.342 7.901 -0.323 1.00 12.44 N ATOM 1079 CA THR A 74 -11.687 7.468 -1.671 1.00 21.24 C ATOM 1080 C THR A 74 -12.529 8.517 -2.387 1.00 40.22 C ATOM 1081 O THR A 74 -13.102 9.404 -1.755 1.00 75.22 O ATOM 1082 CB THR A 74 -12.457 6.134 -1.652 1.00 65.31 C ATOM 1083 OG1 THR A 74 -11.943 5.286 -0.618 1.00 53.41 O ATOM 1084 CG2 THR A 74 -12.347 5.427 -2.995 1.00 0.12 C ATOM 0 H THR A 74 -11.910 7.481 0.413 1.00 12.44 H new ATOM 0 HA THR A 74 -10.749 7.331 -2.209 1.00 21.24 H new ATOM 0 HB THR A 74 -13.508 6.349 -1.457 1.00 65.31 H new ATOM 0 HG1 THR A 74 -12.439 4.441 -0.611 1.00 53.41 H new ATOM 0 HG21 THR A 74 -12.898 4.487 -2.958 1.00 0.12 H new ATOM 0 HG22 THR A 74 -12.765 6.062 -3.776 1.00 0.12 H new ATOM 0 HG23 THR A 74 -11.299 5.224 -3.215 1.00 0.12 H new ATOM 1092 N ALA A 75 -12.600 8.410 -3.710 1.00 4.20 N ATOM 1093 CA ALA A 75 -13.374 9.349 -4.512 1.00 74.21 C ATOM 1094 C ALA A 75 -14.850 9.309 -4.131 1.00 33.31 C ATOM 1095 O ALA A 75 -15.502 10.347 -4.022 1.00 61.45 O ATOM 1096 CB ALA A 75 -13.201 9.046 -5.993 1.00 73.30 C ATOM 0 H ALA A 75 -12.131 7.682 -4.249 1.00 4.20 H new ATOM 0 HA ALA A 75 -13.001 10.353 -4.312 1.00 74.21 H new ATOM 0 HB1 ALA A 75 -13.785 9.755 -6.580 1.00 73.30 H new ATOM 0 HB2 ALA A 75 -12.148 9.133 -6.262 1.00 73.30 H new ATOM 0 HB3 ALA A 75 -13.546 8.033 -6.200 1.00 73.30 H new ATOM 1102 N GLY A 76 -15.372 8.103 -3.929 1.00 74.43 N ATOM 1103 CA GLY A 76 -16.768 7.950 -3.563 1.00 54.23 C ATOM 1104 C GLY A 76 -17.071 8.505 -2.186 1.00 5.45 C ATOM 1105 O GLY A 76 -18.124 9.102 -1.967 1.00 21.22 O ATOM 0 H GLY A 76 -14.853 7.229 -4.012 1.00 74.43 H new ATOM 0 HA2 GLY A 76 -17.391 8.456 -4.300 1.00 54.23 H new ATOM 0 HA3 GLY A 76 -17.034 6.893 -3.592 1.00 54.23 H new ATOM 1109 N ASN A 77 -16.144 8.307 -1.253 1.00 51.53 N ATOM 1110 CA ASN A 77 -16.318 8.791 0.112 1.00 42.04 C ATOM 1111 C ASN A 77 -16.161 10.307 0.176 1.00 50.34 C ATOM 1112 O ASN A 77 -17.083 11.022 0.570 1.00 70.51 O ATOM 1113 CB ASN A 77 -15.306 8.123 1.044 1.00 24.33 C ATOM 1114 CG ASN A 77 -15.499 6.621 1.127 1.00 74.12 C ATOM 1115 OD1 ASN A 77 -15.001 5.872 0.286 1.00 51.40 O ATOM 1116 ND2 ASN A 77 -16.227 6.173 2.144 1.00 43.42 N ATOM 0 H ASN A 77 -15.266 7.815 -1.418 1.00 51.53 H new ATOM 0 HA ASN A 77 -17.326 8.534 0.436 1.00 42.04 H new ATOM 0 HB2 ASN A 77 -14.297 8.338 0.693 1.00 24.33 H new ATOM 0 HB3 ASN A 77 -15.395 8.554 2.041 1.00 24.33 H new ATOM 0 HD21 ASN A 77 -16.392 5.172 2.251 1.00 43.42 H new ATOM 0 HD22 ASN A 77 -16.621 6.830 2.818 1.00 43.42 H new ATOM 1123 N VAL A 78 -14.987 10.792 -0.216 1.00 1.54 N ATOM 1124 CA VAL A 78 -14.709 12.224 -0.205 1.00 32.33 C ATOM 1125 C VAL A 78 -15.779 12.997 -0.967 1.00 14.02 C ATOM 1126 O VAL A 78 -16.046 14.163 -0.673 1.00 32.50 O ATOM 1127 CB VAL A 78 -13.332 12.533 -0.820 1.00 64.14 C ATOM 1128 CG1 VAL A 78 -12.241 11.741 -0.115 1.00 13.34 C ATOM 1129 CG2 VAL A 78 -13.337 12.236 -2.312 1.00 64.14 C ATOM 0 H VAL A 78 -14.213 10.215 -0.545 1.00 1.54 H new ATOM 0 HA VAL A 78 -14.711 12.539 0.839 1.00 32.33 H new ATOM 0 HB VAL A 78 -13.123 13.594 -0.684 1.00 64.14 H new ATOM 0 HG11 VAL A 78 -11.275 11.973 -0.564 1.00 13.34 H new ATOM 0 HG12 VAL A 78 -12.223 12.007 0.942 1.00 13.34 H new ATOM 0 HG13 VAL A 78 -12.442 10.675 -0.217 1.00 13.34 H new ATOM 0 HG21 VAL A 78 -12.356 12.460 -2.731 1.00 64.14 H new ATOM 0 HG22 VAL A 78 -13.568 11.183 -2.473 1.00 64.14 H new ATOM 0 HG23 VAL A 78 -14.090 12.852 -2.803 1.00 64.14 H new ATOM 1139 N PHE A 79 -16.390 12.341 -1.947 1.00 75.44 N ATOM 1140 CA PHE A 79 -17.432 12.966 -2.753 1.00 54.42 C ATOM 1141 C PHE A 79 -18.510 13.582 -1.866 1.00 11.14 C ATOM 1142 O PHE A 79 -18.891 14.738 -2.045 1.00 51.44 O ATOM 1143 CB PHE A 79 -18.060 11.941 -3.700 1.00 22.13 C ATOM 1144 CG PHE A 79 -19.280 12.451 -4.412 1.00 62.52 C ATOM 1145 CD1 PHE A 79 -19.159 13.309 -5.493 1.00 12.53 C ATOM 1146 CD2 PHE A 79 -20.547 12.071 -4.001 1.00 55.11 C ATOM 1147 CE1 PHE A 79 -20.280 13.780 -6.151 1.00 2.01 C ATOM 1148 CE2 PHE A 79 -21.672 12.538 -4.656 1.00 4.04 C ATOM 1149 CZ PHE A 79 -21.538 13.395 -5.731 1.00 23.50 C ATOM 0 H PHE A 79 -16.182 11.376 -2.203 1.00 75.44 H new ATOM 0 HA PHE A 79 -16.972 13.760 -3.342 1.00 54.42 H new ATOM 0 HB2 PHE A 79 -17.318 11.638 -4.439 1.00 22.13 H new ATOM 0 HB3 PHE A 79 -18.327 11.049 -3.132 1.00 22.13 H new ATOM 0 HD1 PHE A 79 -18.178 13.613 -5.826 1.00 12.53 H new ATOM 0 HD2 PHE A 79 -20.658 11.403 -3.160 1.00 55.11 H new ATOM 0 HE1 PHE A 79 -20.172 14.448 -6.993 1.00 2.01 H new ATOM 0 HE2 PHE A 79 -22.654 12.233 -4.327 1.00 4.04 H new ATOM 0 HZ PHE A 79 -22.415 13.763 -6.242 1.00 23.50 H new ATOM 1159 N MET A 80 -18.997 12.800 -0.908 1.00 13.22 N ATOM 1160 CA MET A 80 -20.031 13.268 0.008 1.00 2.35 C ATOM 1161 C MET A 80 -19.415 13.782 1.306 1.00 42.31 C ATOM 1162 O MET A 80 -20.051 14.523 2.057 1.00 64.44 O ATOM 1163 CB MET A 80 -21.022 12.143 0.312 1.00 64.34 C ATOM 1164 CG MET A 80 -20.434 11.029 1.163 1.00 14.14 C ATOM 1165 SD MET A 80 -21.590 9.670 1.423 1.00 73.22 S ATOM 1166 CE MET A 80 -22.644 10.360 2.696 1.00 22.35 C ATOM 0 H MET A 80 -18.693 11.840 -0.746 1.00 13.22 H new ATOM 0 HA MET A 80 -20.562 14.090 -0.473 1.00 2.35 H new ATOM 0 HB2 MET A 80 -21.888 12.562 0.824 1.00 64.34 H new ATOM 0 HB3 MET A 80 -21.380 11.721 -0.627 1.00 64.34 H new ATOM 0 HG2 MET A 80 -19.533 10.647 0.683 1.00 14.14 H new ATOM 0 HG3 MET A 80 -20.133 11.435 2.129 1.00 14.14 H new ATOM 0 HE1 MET A 80 -22.599 9.732 3.585 1.00 22.35 H new ATOM 0 HE2 MET A 80 -22.304 11.365 2.945 1.00 22.35 H new ATOM 0 HE3 MET A 80 -23.671 10.404 2.334 1.00 22.35 H new ATOM 1176 N LYS A 81 -18.174 13.385 1.564 1.00 24.14 N ATOM 1177 CA LYS A 81 -17.470 13.806 2.770 1.00 35.34 C ATOM 1178 C LYS A 81 -17.133 15.292 2.713 1.00 43.03 C ATOM 1179 O LYS A 81 -17.520 16.061 3.593 1.00 53.24 O ATOM 1180 CB LYS A 81 -16.190 12.987 2.951 1.00 41.42 C ATOM 1181 CG LYS A 81 -15.800 12.780 4.404 1.00 12.01 C ATOM 1182 CD LYS A 81 -16.099 11.363 4.865 1.00 45.13 C ATOM 1183 CE LYS A 81 -17.542 11.218 5.321 1.00 31.23 C ATOM 1184 NZ LYS A 81 -17.656 11.206 6.806 1.00 4.11 N ATOM 0 H LYS A 81 -17.634 12.772 0.954 1.00 24.14 H new ATOM 0 HA LYS A 81 -18.127 13.634 3.623 1.00 35.34 H new ATOM 0 HB2 LYS A 81 -16.321 12.014 2.477 1.00 41.42 H new ATOM 0 HB3 LYS A 81 -15.372 13.487 2.432 1.00 41.42 H new ATOM 0 HG2 LYS A 81 -14.737 12.988 4.530 1.00 12.01 H new ATOM 0 HG3 LYS A 81 -16.340 13.489 5.031 1.00 12.01 H new ATOM 0 HD2 LYS A 81 -15.902 10.665 4.051 1.00 45.13 H new ATOM 0 HD3 LYS A 81 -15.429 11.096 5.683 1.00 45.13 H new ATOM 0 HE2 LYS A 81 -18.134 12.039 4.918 1.00 31.23 H new ATOM 0 HE3 LYS A 81 -17.960 10.296 4.917 1.00 31.23 H new ATOM 0 HZ1 LYS A 81 -18.655 11.106 7.077 1.00 4.11 H new ATOM 0 HZ2 LYS A 81 -17.111 10.407 7.190 1.00 4.11 H new ATOM 0 HZ3 LYS A 81 -17.281 12.097 7.190 1.00 4.11 H new ATOM 1198 N TYR A 82 -16.410 15.690 1.672 1.00 61.44 N ATOM 1199 CA TYR A 82 -16.019 17.084 1.500 1.00 34.11 C ATOM 1200 C TYR A 82 -16.614 17.662 0.220 1.00 42.54 C ATOM 1201 O TYR A 82 -16.844 18.867 0.117 1.00 21.32 O ATOM 1202 CB TYR A 82 -14.495 17.209 1.470 1.00 72.42 C ATOM 1203 CG TYR A 82 -13.793 16.288 2.442 1.00 61.42 C ATOM 1204 CD1 TYR A 82 -14.196 16.209 3.769 1.00 2.24 C ATOM 1205 CD2 TYR A 82 -12.726 15.497 2.033 1.00 32.23 C ATOM 1206 CE1 TYR A 82 -13.557 15.370 4.661 1.00 21.24 C ATOM 1207 CE2 TYR A 82 -12.082 14.654 2.918 1.00 73.51 C ATOM 1208 CZ TYR A 82 -12.501 14.594 4.231 1.00 71.32 C ATOM 1209 OH TYR A 82 -11.861 13.756 5.115 1.00 34.04 O ATOM 0 H TYR A 82 -16.083 15.066 0.934 1.00 61.44 H new ATOM 0 HA TYR A 82 -16.406 17.651 2.347 1.00 34.11 H new ATOM 0 HB2 TYR A 82 -14.141 16.997 0.461 1.00 72.42 H new ATOM 0 HB3 TYR A 82 -14.219 18.239 1.694 1.00 72.42 H new ATOM 0 HD1 TYR A 82 -15.023 16.814 4.109 1.00 2.24 H new ATOM 0 HD2 TYR A 82 -12.395 15.542 1.006 1.00 32.23 H new ATOM 0 HE1 TYR A 82 -13.883 15.322 5.690 1.00 21.24 H new ATOM 0 HE2 TYR A 82 -11.255 14.045 2.584 1.00 73.51 H new ATOM 0 HH TYR A 82 -11.023 13.440 4.718 1.00 34.04 H new ATOM 1219 N GLY A 83 -16.861 16.793 -0.756 1.00 43.40 N ATOM 1220 CA GLY A 83 -17.427 17.235 -2.017 1.00 45.03 C ATOM 1221 C GLY A 83 -16.649 18.382 -2.632 1.00 24.32 C ATOM 1222 O GLY A 83 -17.172 19.486 -2.778 1.00 63.03 O ATOM 0 H GLY A 83 -16.679 15.791 -0.696 1.00 43.40 H new ATOM 0 HA2 GLY A 83 -17.448 16.398 -2.715 1.00 45.03 H new ATOM 0 HA3 GLY A 83 -18.460 17.544 -1.859 1.00 45.03 H new ATOM 1226 N GLN A 84 -15.396 18.120 -2.990 1.00 61.14 N ATOM 1227 CA GLN A 84 -14.544 19.140 -3.590 1.00 54.41 C ATOM 1228 C GLN A 84 -14.545 20.413 -2.750 1.00 15.03 C ATOM 1229 O GLN A 84 -14.909 21.485 -3.232 1.00 2.34 O ATOM 1230 CB GLN A 84 -15.012 19.454 -5.012 1.00 73.13 C ATOM 1231 CG GLN A 84 -13.921 20.032 -5.898 1.00 41.33 C ATOM 1232 CD GLN A 84 -14.433 21.124 -6.818 1.00 23.43 C ATOM 1233 OE1 GLN A 84 -14.016 22.278 -6.721 1.00 52.44 O ATOM 1234 NE2 GLN A 84 -15.341 20.763 -7.717 1.00 12.04 N ATOM 0 H GLN A 84 -14.949 17.211 -2.875 1.00 61.14 H new ATOM 0 HA GLN A 84 -13.526 18.751 -3.627 1.00 54.41 H new ATOM 0 HB2 GLN A 84 -15.394 18.542 -5.469 1.00 73.13 H new ATOM 0 HB3 GLN A 84 -15.842 20.159 -4.965 1.00 73.13 H new ATOM 0 HG2 GLN A 84 -13.125 20.434 -5.272 1.00 41.33 H new ATOM 0 HG3 GLN A 84 -13.483 19.233 -6.497 1.00 41.33 H new ATOM 0 HE21 GLN A 84 -15.658 19.794 -7.761 1.00 12.04 H new ATOM 0 HE22 GLN A 84 -15.722 21.454 -8.363 1.00 12.04 H new ATOM 1243 N GLU A 85 -14.137 20.286 -1.491 1.00 62.40 N ATOM 1244 CA GLU A 85 -14.092 21.426 -0.584 1.00 14.41 C ATOM 1245 C GLU A 85 -13.493 21.028 0.762 1.00 51.31 C ATOM 1246 O GLU A 85 -14.217 20.798 1.731 1.00 24.33 O ATOM 1247 CB GLU A 85 -15.497 21.999 -0.380 1.00 5.11 C ATOM 1248 CG GLU A 85 -15.507 23.484 -0.057 1.00 33.20 C ATOM 1249 CD GLU A 85 -15.699 24.347 -1.289 1.00 14.35 C ATOM 1250 OE1 GLU A 85 -14.685 24.732 -1.907 1.00 63.51 O ATOM 1251 OE2 GLU A 85 -16.863 24.639 -1.634 1.00 14.14 O ATOM 0 H GLU A 85 -13.833 19.405 -1.077 1.00 62.40 H new ATOM 0 HA GLU A 85 -13.457 22.190 -1.033 1.00 14.41 H new ATOM 0 HB2 GLU A 85 -16.085 21.828 -1.282 1.00 5.11 H new ATOM 0 HB3 GLU A 85 -15.988 21.457 0.428 1.00 5.11 H new ATOM 0 HG2 GLU A 85 -16.305 23.692 0.656 1.00 33.20 H new ATOM 0 HG3 GLU A 85 -14.569 23.753 0.428 1.00 33.20 H new ATOM 1258 N ILE A 86 -12.168 20.949 0.813 1.00 42.35 N ATOM 1259 CA ILE A 86 -11.471 20.580 2.038 1.00 33.25 C ATOM 1260 C ILE A 86 -10.166 21.355 2.184 1.00 61.50 C ATOM 1261 O ILE A 86 -9.478 21.622 1.199 1.00 62.22 O ATOM 1262 CB ILE A 86 -11.167 19.071 2.080 1.00 62.40 C ATOM 1263 CG1 ILE A 86 -10.391 18.719 3.351 1.00 13.43 C ATOM 1264 CG2 ILE A 86 -10.384 18.654 0.844 1.00 74.05 C ATOM 1265 CD1 ILE A 86 -10.777 17.382 3.944 1.00 0.44 C ATOM 0 H ILE A 86 -11.555 21.136 0.019 1.00 42.35 H new ATOM 0 HA ILE A 86 -12.134 20.832 2.866 1.00 33.25 H new ATOM 0 HB ILE A 86 -12.111 18.526 2.090 1.00 62.40 H new ATOM 0 HG12 ILE A 86 -9.325 18.713 3.126 1.00 13.43 H new ATOM 0 HG13 ILE A 86 -10.556 19.498 4.095 1.00 13.43 H new ATOM 0 HG21 ILE A 86 -10.177 17.585 0.888 1.00 74.05 H new ATOM 0 HG22 ILE A 86 -10.969 18.873 -0.049 1.00 74.05 H new ATOM 0 HG23 ILE A 86 -9.444 19.205 0.806 1.00 74.05 H new ATOM 0 HD11 ILE A 86 -10.187 17.198 4.842 1.00 0.44 H new ATOM 0 HD12 ILE A 86 -11.836 17.390 4.201 1.00 0.44 H new ATOM 0 HD13 ILE A 86 -10.586 16.593 3.217 1.00 0.44 H new ATOM 1277 N ARG A 87 -9.830 21.711 3.420 1.00 73.15 N ATOM 1278 CA ARG A 87 -8.607 22.454 3.695 1.00 42.55 C ATOM 1279 C ARG A 87 -7.567 21.561 4.365 1.00 1.40 C ATOM 1280 O ARG A 87 -7.909 20.662 5.135 1.00 45.34 O ATOM 1281 CB ARG A 87 -8.908 23.662 4.584 1.00 24.14 C ATOM 1282 CG ARG A 87 -8.521 24.992 3.958 1.00 64.40 C ATOM 1283 CD ARG A 87 -7.118 25.413 4.368 1.00 52.32 C ATOM 1284 NE ARG A 87 -7.137 26.421 5.425 1.00 64.03 N ATOM 1285 CZ ARG A 87 -7.515 27.680 5.233 1.00 21.24 C ATOM 1286 NH1 ARG A 87 -7.905 28.083 4.032 1.00 43.10 N ATOM 1287 NH2 ARG A 87 -7.504 28.538 6.245 1.00 14.22 N ATOM 0 H ARG A 87 -10.388 21.497 4.246 1.00 73.15 H new ATOM 0 HA ARG A 87 -8.202 22.803 2.745 1.00 42.55 H new ATOM 0 HB2 ARG A 87 -9.973 23.675 4.815 1.00 24.14 H new ATOM 0 HB3 ARG A 87 -8.378 23.547 5.529 1.00 24.14 H new ATOM 0 HG2 ARG A 87 -8.576 24.914 2.872 1.00 64.40 H new ATOM 0 HG3 ARG A 87 -9.235 25.759 4.259 1.00 64.40 H new ATOM 0 HD2 ARG A 87 -6.563 24.540 4.710 1.00 52.32 H new ATOM 0 HD3 ARG A 87 -6.589 25.807 3.500 1.00 52.32 H new ATOM 0 HE ARG A 87 -6.844 26.143 6.362 1.00 64.03 H new ATOM 0 HH11 ARG A 87 -7.915 27.426 3.252 1.00 43.10 H new ATOM 0 HH12 ARG A 87 -8.195 29.050 3.888 1.00 43.10 H new ATOM 0 HH21 ARG A 87 -7.205 28.231 7.171 1.00 14.22 H new ATOM 0 HH22 ARG A 87 -7.794 29.505 6.097 1.00 14.22 H new ATOM 1301 N LEU A 88 -6.297 21.815 4.068 1.00 73.34 N ATOM 1302 CA LEU A 88 -5.207 21.034 4.641 1.00 63.30 C ATOM 1303 C LEU A 88 -4.735 21.642 5.958 1.00 71.11 C ATOM 1304 O LEU A 88 -4.298 22.792 6.000 1.00 2.21 O ATOM 1305 CB LEU A 88 -4.039 20.952 3.656 1.00 2.54 C ATOM 1306 CG LEU A 88 -3.187 19.685 3.729 1.00 64.00 C ATOM 1307 CD1 LEU A 88 -3.706 18.636 2.758 1.00 51.21 C ATOM 1308 CD2 LEU A 88 -1.727 20.006 3.440 1.00 75.02 C ATOM 0 H LEU A 88 -5.997 22.556 3.434 1.00 73.34 H new ATOM 0 HA LEU A 88 -5.578 20.029 4.839 1.00 63.30 H new ATOM 0 HB2 LEU A 88 -4.436 21.041 2.645 1.00 2.54 H new ATOM 0 HB3 LEU A 88 -3.390 21.812 3.821 1.00 2.54 H new ATOM 0 HG LEU A 88 -3.256 19.282 4.739 1.00 64.00 H new ATOM 0 HD11 LEU A 88 -3.087 17.741 2.824 1.00 51.21 H new ATOM 0 HD12 LEU A 88 -4.736 18.384 3.011 1.00 51.21 H new ATOM 0 HD13 LEU A 88 -3.667 19.030 1.742 1.00 51.21 H new ATOM 0 HD21 LEU A 88 -1.135 19.092 3.496 1.00 75.02 H new ATOM 0 HD22 LEU A 88 -1.639 20.434 2.441 1.00 75.02 H new ATOM 0 HD23 LEU A 88 -1.359 20.722 4.175 1.00 75.02 H new ATOM 1320 N ILE A 89 -4.825 20.862 7.030 1.00 71.33 N ATOM 1321 CA ILE A 89 -4.405 21.323 8.347 1.00 65.31 C ATOM 1322 C ILE A 89 -3.619 20.242 9.082 1.00 1.34 C ATOM 1323 O ILE A 89 -4.017 19.078 9.136 1.00 1.55 O ATOM 1324 CB ILE A 89 -5.611 21.741 9.209 1.00 44.04 C ATOM 1325 CG1 ILE A 89 -6.427 22.819 8.493 1.00 41.21 C ATOM 1326 CG2 ILE A 89 -5.143 22.238 10.568 1.00 10.23 C ATOM 1327 CD1 ILE A 89 -7.641 23.275 9.272 1.00 23.01 C ATOM 0 H ILE A 89 -5.185 19.908 7.012 1.00 71.33 H new ATOM 0 HA ILE A 89 -3.765 22.191 8.188 1.00 65.31 H new ATOM 0 HB ILE A 89 -6.249 20.871 9.363 1.00 44.04 H new ATOM 0 HG12 ILE A 89 -5.786 23.679 8.298 1.00 41.21 H new ATOM 0 HG13 ILE A 89 -6.749 22.436 7.525 1.00 41.21 H new ATOM 0 HG21 ILE A 89 -6.006 22.530 11.166 1.00 10.23 H new ATOM 0 HG22 ILE A 89 -4.600 21.443 11.079 1.00 10.23 H new ATOM 0 HG23 ILE A 89 -4.487 23.098 10.435 1.00 10.23 H new ATOM 0 HD11 ILE A 89 -8.172 24.039 8.704 1.00 23.01 H new ATOM 0 HD12 ILE A 89 -8.303 22.426 9.444 1.00 23.01 H new ATOM 0 HD13 ILE A 89 -7.325 23.688 10.230 1.00 23.01 H new ATOM 1339 N PRO A 90 -2.476 20.635 9.665 1.00 71.32 N ATOM 1340 CA PRO A 90 -1.611 19.715 10.410 1.00 13.33 C ATOM 1341 C PRO A 90 -2.241 19.264 11.724 1.00 5.51 C ATOM 1342 O PRO A 90 -1.889 19.761 12.794 1.00 23.03 O ATOM 1343 CB PRO A 90 -0.355 20.548 10.677 1.00 1.02 C ATOM 1344 CG PRO A 90 -0.824 21.962 10.647 1.00 61.31 C ATOM 1345 CD PRO A 90 -1.940 22.006 9.641 1.00 55.13 C ATOM 0 HA PRO A 90 -1.420 18.796 9.856 1.00 13.33 H new ATOM 0 HB2 PRO A 90 0.088 20.298 11.641 1.00 1.02 H new ATOM 0 HB3 PRO A 90 0.408 20.368 9.920 1.00 1.02 H new ATOM 0 HG2 PRO A 90 -1.172 22.279 11.630 1.00 61.31 H new ATOM 0 HG3 PRO A 90 -0.015 22.636 10.363 1.00 61.31 H new ATOM 0 HD2 PRO A 90 -2.699 22.739 9.915 1.00 55.13 H new ATOM 0 HD3 PRO A 90 -1.577 22.278 8.650 1.00 55.13 H new ATOM 1353 N ARG A 91 -3.172 18.321 11.636 1.00 72.15 N ATOM 1354 CA ARG A 91 -3.851 17.804 12.818 1.00 62.12 C ATOM 1355 C ARG A 91 -3.254 16.467 13.246 1.00 22.51 C ATOM 1356 O ARG A 91 -2.590 15.791 12.459 1.00 11.22 O ATOM 1357 CB ARG A 91 -5.347 17.642 12.543 1.00 10.03 C ATOM 1358 CG ARG A 91 -6.228 18.038 13.717 1.00 41.52 C ATOM 1359 CD ARG A 91 -7.005 16.848 14.257 1.00 2.23 C ATOM 1360 NE ARG A 91 -8.100 16.461 13.372 1.00 45.25 N ATOM 1361 CZ ARG A 91 -9.128 15.714 13.757 1.00 11.54 C ATOM 1362 NH1 ARG A 91 -9.202 15.277 15.007 1.00 53.12 N ATOM 1363 NH2 ARG A 91 -10.086 15.404 12.893 1.00 43.33 N ATOM 0 H ARG A 91 -3.474 17.899 10.758 1.00 72.15 H new ATOM 0 HA ARG A 91 -3.713 18.520 13.628 1.00 62.12 H new ATOM 0 HB2 ARG A 91 -5.616 18.247 11.677 1.00 10.03 H new ATOM 0 HB3 ARG A 91 -5.549 16.603 12.282 1.00 10.03 H new ATOM 0 HG2 ARG A 91 -5.611 18.461 14.510 1.00 41.52 H new ATOM 0 HG3 ARG A 91 -6.924 18.817 13.405 1.00 41.52 H new ATOM 0 HD2 ARG A 91 -6.329 16.003 14.388 1.00 2.23 H new ATOM 0 HD3 ARG A 91 -7.404 17.092 15.242 1.00 2.23 H new ATOM 0 HE ARG A 91 -8.074 16.782 12.404 1.00 45.25 H new ATOM 0 HH11 ARG A 91 -8.468 15.515 15.675 1.00 53.12 H new ATOM 0 HH12 ARG A 91 -9.993 14.703 15.301 1.00 53.12 H new ATOM 0 HH21 ARG A 91 -10.034 15.740 11.931 1.00 43.33 H new ATOM 0 HH22 ARG A 91 -10.875 14.830 13.191 1.00 43.33 H new ATOM 1377 N ASP A 92 -3.494 16.091 14.498 1.00 41.25 N ATOM 1378 CA ASP A 92 -2.981 14.835 15.031 1.00 63.43 C ATOM 1379 C ASP A 92 -1.455 14.837 15.055 1.00 14.33 C ATOM 1380 O ASP A 92 -0.822 13.783 15.002 1.00 50.01 O ATOM 1381 CB ASP A 92 -3.488 13.657 14.196 1.00 5.15 C ATOM 1382 CG ASP A 92 -3.867 12.463 15.051 1.00 52.45 C ATOM 1383 OD1 ASP A 92 -3.186 11.421 14.950 1.00 14.02 O ATOM 1384 OD2 ASP A 92 -4.845 12.572 15.820 1.00 64.11 O ATOM 0 H ASP A 92 -4.041 16.639 15.162 1.00 41.25 H new ATOM 0 HA ASP A 92 -3.343 14.729 16.054 1.00 63.43 H new ATOM 0 HB2 ASP A 92 -4.354 13.973 13.614 1.00 5.15 H new ATOM 0 HB3 ASP A 92 -2.717 13.361 13.485 1.00 5.15 H new ATOM 1389 N ARG A 93 -0.872 16.029 15.135 1.00 31.24 N ATOM 1390 CA ARG A 93 0.579 16.169 15.165 1.00 72.24 C ATOM 1391 C ARG A 93 1.006 17.182 16.223 1.00 60.14 C ATOM 1392 O ARG A 93 1.610 16.823 17.233 1.00 31.55 O ATOM 1393 CB ARG A 93 1.099 16.599 13.792 1.00 53.13 C ATOM 1394 CG ARG A 93 2.600 16.427 13.627 1.00 32.45 C ATOM 1395 CD ARG A 93 2.988 16.291 12.164 1.00 61.25 C ATOM 1396 NE ARG A 93 3.907 17.344 11.741 1.00 25.11 N ATOM 1397 CZ ARG A 93 3.531 18.595 11.501 1.00 43.04 C ATOM 1398 NH1 ARG A 93 2.261 18.947 11.641 1.00 52.33 N ATOM 1399 NH2 ARG A 93 4.427 19.497 11.120 1.00 70.13 N ATOM 0 H ARG A 93 -1.382 16.911 15.180 1.00 31.24 H new ATOM 0 HA ARG A 93 1.007 15.200 15.421 1.00 72.24 H new ATOM 0 HB2 ARG A 93 0.589 16.020 13.022 1.00 53.13 H new ATOM 0 HB3 ARG A 93 0.842 17.645 13.627 1.00 53.13 H new ATOM 0 HG2 ARG A 93 3.115 17.283 14.063 1.00 32.45 H new ATOM 0 HG3 ARG A 93 2.928 15.544 14.175 1.00 32.45 H new ATOM 0 HD2 ARG A 93 3.452 15.318 12.001 1.00 61.25 H new ATOM 0 HD3 ARG A 93 2.090 16.324 11.546 1.00 61.25 H new ATOM 0 HE ARG A 93 4.892 17.106 11.623 1.00 25.11 H new ATOM 0 HH11 ARG A 93 1.570 18.256 11.934 1.00 52.33 H new ATOM 0 HH12 ARG A 93 1.975 19.908 11.456 1.00 52.33 H new ATOM 0 HH21 ARG A 93 5.405 19.230 11.011 1.00 70.13 H new ATOM 0 HH22 ARG A 93 4.137 20.457 10.936 1.00 70.13 H new ATOM 1413 N VAL A 94 0.689 18.450 15.982 1.00 12.34 N ATOM 1414 CA VAL A 94 1.039 19.516 16.914 1.00 20.42 C ATOM 1415 C VAL A 94 0.049 19.581 18.071 1.00 13.14 C ATOM 1416 O VAL A 94 0.414 19.373 19.228 1.00 42.05 O ATOM 1417 CB VAL A 94 1.081 20.885 16.211 1.00 40.23 C ATOM 1418 CG1 VAL A 94 1.428 21.985 17.203 1.00 73.22 C ATOM 1419 CG2 VAL A 94 2.075 20.862 15.059 1.00 32.12 C ATOM 0 H VAL A 94 0.191 18.764 15.150 1.00 12.34 H new ATOM 0 HA VAL A 94 2.031 19.285 17.301 1.00 20.42 H new ATOM 0 HB VAL A 94 0.092 21.095 15.804 1.00 40.23 H new ATOM 0 HG11 VAL A 94 1.453 22.945 16.688 1.00 73.22 H new ATOM 0 HG12 VAL A 94 0.675 22.015 17.991 1.00 73.22 H new ATOM 0 HG13 VAL A 94 2.405 21.784 17.643 1.00 73.22 H new ATOM 0 HG21 VAL A 94 2.092 21.838 14.573 1.00 32.12 H new ATOM 0 HG22 VAL A 94 3.069 20.630 15.441 1.00 32.12 H new ATOM 0 HG23 VAL A 94 1.777 20.102 14.336 1.00 32.12 H new ATOM 1429 N GLY A 95 -1.209 19.872 17.752 1.00 62.55 N ATOM 1430 CA GLY A 95 -2.233 19.959 18.775 1.00 35.05 C ATOM 1431 C GLY A 95 -2.761 18.598 19.185 1.00 10.45 C ATOM 1432 O GLY A 95 -2.167 17.571 18.860 1.00 64.14 O ATOM 0 H GLY A 95 -1.536 20.049 16.802 1.00 62.55 H new ATOM 0 HA2 GLY A 95 -1.826 20.466 19.650 1.00 35.05 H new ATOM 0 HA3 GLY A 95 -3.058 20.570 18.408 1.00 35.05 H new