USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 702 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 77:sc= 0.458 USER MOD Single : A 10 SER OG : rot 59:sc= 1.21 USER MOD Single : A 19 TYR OH : rot -94:sc= 1.56 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -89:sc= 0.339 USER MOD Single : A 36 CYS SG : rot 89:sc= -0.324 USER MOD Single : A 40 SER OG : rot 81:sc= 0.227 USER MOD Single : A 41 HIS : no HD1:sc= -0.0461 X(o=-0.046,f=-0.14) USER MOD Single : A 45 LYS NZ :NH3+ -148:sc= 1.3 (180deg=-0.162) USER MOD Single : A 49 ASN : amide:sc= 1.04 K(o=1,f=-4.8!) USER MOD Single : A 52 MET CE :methyl 155:sc= -2.02 (180deg=-3!) USER MOD Single : A 59 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.76) USER MOD Single : A 67 THR OG1 : rot -6:sc= 1.14 USER MOD Single : A 68 HIS : no HD1:sc= -0.463 X(o=-0.46,f=0.011) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -23:sc= 1.07 USER MOD Single : A 89 GLN : amide:sc= -5.2! K(o=-5.2!,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 5 10.132 7.150 -5.981 1.00 22.52 N ATOM 57 CA ASN A 5 10.716 8.367 -6.528 1.00 73.11 C ATOM 58 C ASN A 5 9.982 9.596 -6.006 1.00 10.31 C ATOM 59 O ASN A 5 10.605 10.588 -5.627 1.00 10.11 O ATOM 60 CB ASN A 5 10.671 8.345 -8.059 1.00 53.32 C ATOM 61 CG ASN A 5 11.353 7.125 -8.643 1.00 53.24 C ATOM 62 OD1 ASN A 5 10.722 6.086 -8.845 1.00 40.34 O ATOM 63 ND2 ASN A 5 12.645 7.230 -8.909 1.00 4.12 N ATOM 0 HA ASN A 5 11.757 8.416 -6.207 1.00 73.11 H new ATOM 0 HB2 ASN A 5 9.632 8.369 -8.389 1.00 53.32 H new ATOM 0 HB3 ASN A 5 11.149 9.245 -8.446 1.00 53.32 H new ATOM 0 HD21 ASN A 5 13.153 6.434 -9.295 1.00 4.12 H new ATOM 0 HD22 ASN A 5 13.133 8.107 -8.728 1.00 4.12 H new ATOM 70 N ARG A 6 8.653 9.509 -5.960 1.00 70.34 N ATOM 71 CA ARG A 6 7.830 10.623 -5.505 1.00 45.50 C ATOM 72 C ARG A 6 8.168 11.006 -4.068 1.00 22.34 C ATOM 73 O ARG A 6 7.994 12.156 -3.679 1.00 1.32 O ATOM 74 CB ARG A 6 6.334 10.293 -5.611 1.00 34.52 C ATOM 75 CG ARG A 6 5.448 11.478 -5.253 1.00 35.22 C ATOM 76 CD ARG A 6 3.970 11.131 -5.271 1.00 55.24 C ATOM 77 NE ARG A 6 3.157 12.264 -4.829 1.00 65.22 N ATOM 78 CZ ARG A 6 1.918 12.164 -4.343 1.00 12.53 C ATOM 79 NH1 ARG A 6 1.296 10.991 -4.317 1.00 43.31 N ATOM 80 NH2 ARG A 6 1.289 13.251 -3.909 1.00 11.12 N ATOM 0 H ARG A 6 8.126 8.679 -6.232 1.00 70.34 H new ATOM 0 HA ARG A 6 8.048 11.469 -6.157 1.00 45.50 H new ATOM 0 HB2 ARG A 6 6.108 9.969 -6.627 1.00 34.52 H new ATOM 0 HB3 ARG A 6 6.102 9.458 -4.950 1.00 34.52 H new ATOM 0 HG2 ARG A 6 5.719 11.843 -4.262 1.00 35.22 H new ATOM 0 HG3 ARG A 6 5.635 12.291 -5.955 1.00 35.22 H new ATOM 0 HD2 ARG A 6 3.674 10.839 -6.279 1.00 55.24 H new ATOM 0 HD3 ARG A 6 3.787 10.274 -4.623 1.00 55.24 H new ATOM 0 HE ARG A 6 3.566 13.196 -4.897 1.00 65.22 H new ATOM 0 HH11 ARG A 6 1.765 10.157 -4.670 1.00 43.31 H new ATOM 0 HH12 ARG A 6 0.349 10.924 -3.944 1.00 43.31 H new ATOM 0 HH21 ARG A 6 1.753 14.158 -3.948 1.00 11.12 H new ATOM 0 HH22 ARG A 6 0.342 13.178 -3.537 1.00 11.12 H new ATOM 94 N PHE A 7 8.652 10.047 -3.284 1.00 61.03 N ATOM 95 CA PHE A 7 9.059 10.323 -1.910 1.00 54.10 C ATOM 96 C PHE A 7 10.130 11.413 -1.884 1.00 14.21 C ATOM 97 O PHE A 7 9.975 12.436 -1.212 1.00 1.24 O ATOM 98 CB PHE A 7 9.582 9.049 -1.239 1.00 72.25 C ATOM 99 CG PHE A 7 10.094 9.263 0.160 1.00 31.43 C ATOM 100 CD1 PHE A 7 9.215 9.419 1.220 1.00 52.24 C ATOM 101 CD2 PHE A 7 11.457 9.310 0.412 1.00 4.00 C ATOM 102 CE1 PHE A 7 9.685 9.618 2.504 1.00 13.43 C ATOM 103 CE2 PHE A 7 11.933 9.509 1.694 1.00 61.21 C ATOM 104 CZ PHE A 7 11.045 9.663 2.742 1.00 73.30 C ATOM 0 H PHE A 7 8.772 9.077 -3.575 1.00 61.03 H new ATOM 0 HA PHE A 7 8.189 10.674 -1.355 1.00 54.10 H new ATOM 0 HB2 PHE A 7 8.782 8.309 -1.213 1.00 72.25 H new ATOM 0 HB3 PHE A 7 10.383 8.632 -1.849 1.00 72.25 H new ATOM 0 HD1 PHE A 7 8.151 9.385 1.040 1.00 52.24 H new ATOM 0 HD2 PHE A 7 12.155 9.190 -0.403 1.00 4.00 H new ATOM 0 HE1 PHE A 7 8.989 9.738 3.321 1.00 13.43 H new ATOM 0 HE2 PHE A 7 12.997 9.544 1.877 1.00 61.21 H new ATOM 0 HZ PHE A 7 11.414 9.818 3.745 1.00 73.30 H new ATOM 114 N LEU A 8 11.201 11.200 -2.641 1.00 52.30 N ATOM 115 CA LEU A 8 12.282 12.173 -2.719 1.00 12.42 C ATOM 116 C LEU A 8 11.783 13.462 -3.352 1.00 4.34 C ATOM 117 O LEU A 8 12.130 14.552 -2.907 1.00 54.30 O ATOM 118 CB LEU A 8 13.477 11.630 -3.512 1.00 73.45 C ATOM 119 CG LEU A 8 14.276 10.510 -2.833 1.00 4.01 C ATOM 120 CD1 LEU A 8 13.542 9.180 -2.914 1.00 63.33 C ATOM 121 CD2 LEU A 8 15.659 10.394 -3.453 1.00 0.01 C ATOM 0 H LEU A 8 11.343 10.364 -3.208 1.00 52.30 H new ATOM 0 HA LEU A 8 12.619 12.374 -1.702 1.00 12.42 H new ATOM 0 HB2 LEU A 8 13.115 11.262 -4.472 1.00 73.45 H new ATOM 0 HB3 LEU A 8 14.155 12.457 -3.723 1.00 73.45 H new ATOM 0 HG LEU A 8 14.385 10.767 -1.779 1.00 4.01 H new ATOM 0 HD11 LEU A 8 14.134 8.407 -2.424 1.00 63.33 H new ATOM 0 HD12 LEU A 8 12.576 9.267 -2.417 1.00 63.33 H new ATOM 0 HD13 LEU A 8 13.389 8.912 -3.959 1.00 63.33 H new ATOM 0 HD21 LEU A 8 16.213 9.595 -2.960 1.00 0.01 H new ATOM 0 HD22 LEU A 8 15.564 10.168 -4.515 1.00 0.01 H new ATOM 0 HD23 LEU A 8 16.193 11.336 -3.329 1.00 0.01 H new ATOM 133 N THR A 9 10.950 13.324 -4.379 1.00 50.43 N ATOM 134 CA THR A 9 10.351 14.472 -5.042 1.00 11.00 C ATOM 135 C THR A 9 9.536 15.310 -4.053 1.00 63.12 C ATOM 136 O THR A 9 9.576 16.540 -4.085 1.00 22.31 O ATOM 137 CB THR A 9 9.447 14.018 -6.205 1.00 3.51 C ATOM 138 OG1 THR A 9 10.191 13.167 -7.091 1.00 24.21 O ATOM 139 CG2 THR A 9 8.902 15.212 -6.977 1.00 32.31 C ATOM 0 H THR A 9 10.675 12.423 -4.770 1.00 50.43 H new ATOM 0 HA THR A 9 11.160 15.086 -5.439 1.00 11.00 H new ATOM 0 HB THR A 9 8.603 13.469 -5.788 1.00 3.51 H new ATOM 0 HG1 THR A 9 10.273 12.274 -6.695 1.00 24.21 H new ATOM 0 HG21 THR A 9 8.268 14.860 -7.791 1.00 32.31 H new ATOM 0 HG22 THR A 9 8.317 15.842 -6.307 1.00 32.31 H new ATOM 0 HG23 THR A 9 9.731 15.790 -7.386 1.00 32.31 H new ATOM 147 N SER A 10 8.814 14.635 -3.166 1.00 65.42 N ATOM 148 CA SER A 10 8.024 15.311 -2.147 1.00 14.20 C ATOM 149 C SER A 10 8.935 15.993 -1.136 1.00 60.34 C ATOM 150 O SER A 10 8.637 17.089 -0.670 1.00 33.45 O ATOM 151 CB SER A 10 7.093 14.320 -1.445 1.00 14.00 C ATOM 152 OG SER A 10 6.223 13.699 -2.376 1.00 11.13 O ATOM 0 H SER A 10 8.760 13.617 -3.133 1.00 65.42 H new ATOM 0 HA SER A 10 7.413 16.072 -2.632 1.00 14.20 H new ATOM 0 HB2 SER A 10 7.683 13.562 -0.931 1.00 14.00 H new ATOM 0 HB3 SER A 10 6.509 14.839 -0.685 1.00 14.00 H new ATOM 0 HG SER A 10 6.751 13.226 -3.053 1.00 11.13 H new ATOM 158 N ILE A 11 10.050 15.345 -0.806 1.00 41.21 N ATOM 159 CA ILE A 11 11.052 15.954 0.062 1.00 43.24 C ATOM 160 C ILE A 11 11.600 17.231 -0.578 1.00 34.21 C ATOM 161 O ILE A 11 11.666 18.276 0.064 1.00 51.11 O ATOM 162 CB ILE A 11 12.218 14.982 0.362 1.00 63.44 C ATOM 163 CG1 ILE A 11 11.704 13.731 1.084 1.00 0.25 C ATOM 164 CG2 ILE A 11 13.297 15.670 1.189 1.00 53.04 C ATOM 165 CD1 ILE A 11 11.023 14.021 2.407 1.00 53.14 C ATOM 0 H ILE A 11 10.281 14.404 -1.125 1.00 41.21 H new ATOM 0 HA ILE A 11 10.563 16.197 1.005 1.00 43.24 H new ATOM 0 HB ILE A 11 12.659 14.677 -0.587 1.00 63.44 H new ATOM 0 HG12 ILE A 11 11.003 13.210 0.432 1.00 0.25 H new ATOM 0 HG13 ILE A 11 12.541 13.054 1.258 1.00 0.25 H new ATOM 0 HG21 ILE A 11 14.106 14.968 1.388 1.00 53.04 H new ATOM 0 HG22 ILE A 11 13.687 16.526 0.639 1.00 53.04 H new ATOM 0 HG23 ILE A 11 12.871 16.009 2.133 1.00 53.04 H new ATOM 0 HD11 ILE A 11 10.687 13.086 2.856 1.00 53.14 H new ATOM 0 HD12 ILE A 11 11.726 14.514 3.078 1.00 53.14 H new ATOM 0 HD13 ILE A 11 10.165 14.672 2.239 1.00 53.14 H new ATOM 177 N VAL A 12 11.969 17.136 -1.851 1.00 21.55 N ATOM 178 CA VAL A 12 12.451 18.289 -2.607 1.00 14.34 C ATOM 179 C VAL A 12 11.398 19.397 -2.641 1.00 13.44 C ATOM 180 O VAL A 12 11.710 20.570 -2.431 1.00 43.23 O ATOM 181 CB VAL A 12 12.830 17.898 -4.057 1.00 35.21 C ATOM 182 CG1 VAL A 12 13.266 19.119 -4.855 1.00 52.52 C ATOM 183 CG2 VAL A 12 13.926 16.841 -4.059 1.00 24.24 C ATOM 0 H VAL A 12 11.943 16.267 -2.385 1.00 21.55 H new ATOM 0 HA VAL A 12 13.343 18.655 -2.099 1.00 14.34 H new ATOM 0 HB VAL A 12 11.944 17.479 -4.535 1.00 35.21 H new ATOM 0 HG11 VAL A 12 13.527 18.817 -5.869 1.00 52.52 H new ATOM 0 HG12 VAL A 12 12.450 19.841 -4.890 1.00 52.52 H new ATOM 0 HG13 VAL A 12 14.134 19.575 -4.378 1.00 52.52 H new ATOM 0 HG21 VAL A 12 14.178 16.580 -5.087 1.00 24.24 H new ATOM 0 HG22 VAL A 12 14.811 17.233 -3.557 1.00 24.24 H new ATOM 0 HG23 VAL A 12 13.575 15.952 -3.535 1.00 24.24 H new ATOM 193 N ALA A 13 10.150 19.014 -2.897 1.00 44.22 N ATOM 194 CA ALA A 13 9.043 19.964 -2.912 1.00 63.42 C ATOM 195 C ALA A 13 8.867 20.604 -1.539 1.00 5.15 C ATOM 196 O ALA A 13 8.675 21.808 -1.426 1.00 60.31 O ATOM 197 CB ALA A 13 7.755 19.279 -3.346 1.00 50.45 C ATOM 0 H ALA A 13 9.880 18.051 -3.097 1.00 44.22 H new ATOM 0 HA ALA A 13 9.276 20.748 -3.632 1.00 63.42 H new ATOM 0 HB1 ALA A 13 6.941 20.004 -3.351 1.00 50.45 H new ATOM 0 HB2 ALA A 13 7.881 18.868 -4.348 1.00 50.45 H new ATOM 0 HB3 ALA A 13 7.519 18.473 -2.651 1.00 50.45 H new ATOM 203 N TRP A 14 8.947 19.780 -0.506 1.00 34.42 N ATOM 204 CA TRP A 14 8.876 20.236 0.879 1.00 42.25 C ATOM 205 C TRP A 14 9.973 21.265 1.169 1.00 70.10 C ATOM 206 O TRP A 14 9.703 22.353 1.694 1.00 3.04 O ATOM 207 CB TRP A 14 8.997 19.009 1.796 1.00 32.24 C ATOM 208 CG TRP A 14 9.213 19.302 3.250 1.00 61.43 C ATOM 209 CD1 TRP A 14 8.485 20.134 4.052 1.00 2.33 C ATOM 210 CD2 TRP A 14 10.221 18.719 4.081 1.00 1.21 C ATOM 211 NE1 TRP A 14 8.990 20.110 5.330 1.00 52.34 N ATOM 212 CE2 TRP A 14 10.058 19.247 5.372 1.00 5.51 C ATOM 213 CE3 TRP A 14 11.250 17.801 3.851 1.00 11.11 C ATOM 214 CZ2 TRP A 14 10.886 18.885 6.433 1.00 42.32 C ATOM 215 CZ3 TRP A 14 12.070 17.440 4.902 1.00 1.43 C ATOM 216 CH2 TRP A 14 11.886 17.981 6.179 1.00 73.14 C ATOM 0 H TRP A 14 9.064 18.771 -0.602 1.00 34.42 H new ATOM 0 HA TRP A 14 7.923 20.732 1.063 1.00 42.25 H new ATOM 0 HB2 TRP A 14 8.090 18.413 1.695 1.00 32.24 H new ATOM 0 HB3 TRP A 14 9.824 18.394 1.442 1.00 32.24 H new ATOM 0 HD1 TRP A 14 7.639 20.723 3.730 1.00 2.33 H new ATOM 0 HE1 TRP A 14 8.630 20.646 6.120 1.00 52.34 H new ATOM 0 HE3 TRP A 14 11.401 17.381 2.868 1.00 11.11 H new ATOM 0 HZ2 TRP A 14 10.745 19.301 7.420 1.00 42.32 H new ATOM 0 HZ3 TRP A 14 12.866 16.729 4.735 1.00 1.43 H new ATOM 0 HH2 TRP A 14 12.544 17.681 6.981 1.00 73.14 H new ATOM 227 N LEU A 15 11.201 20.929 0.791 1.00 2.10 N ATOM 228 CA LEU A 15 12.345 21.804 1.012 1.00 34.45 C ATOM 229 C LEU A 15 12.172 23.137 0.292 1.00 0.13 C ATOM 230 O LEU A 15 12.377 24.199 0.880 1.00 34.54 O ATOM 231 CB LEU A 15 13.638 21.126 0.544 1.00 11.03 C ATOM 232 CG LEU A 15 13.967 19.798 1.232 1.00 31.04 C ATOM 233 CD1 LEU A 15 15.322 19.285 0.774 1.00 61.44 C ATOM 234 CD2 LEU A 15 13.933 19.956 2.746 1.00 64.45 C ATOM 0 H LEU A 15 11.430 20.050 0.327 1.00 2.10 H new ATOM 0 HA LEU A 15 12.409 21.998 2.083 1.00 34.45 H new ATOM 0 HB2 LEU A 15 13.570 20.953 -0.530 1.00 11.03 H new ATOM 0 HB3 LEU A 15 14.468 21.814 0.704 1.00 11.03 H new ATOM 0 HG LEU A 15 13.210 19.066 0.950 1.00 31.04 H new ATOM 0 HD11 LEU A 15 15.541 18.341 1.272 1.00 61.44 H new ATOM 0 HD12 LEU A 15 15.307 19.131 -0.305 1.00 61.44 H new ATOM 0 HD13 LEU A 15 16.091 20.015 1.026 1.00 61.44 H new ATOM 0 HD21 LEU A 15 14.169 19.002 3.217 1.00 64.45 H new ATOM 0 HD22 LEU A 15 14.667 20.702 3.050 1.00 64.45 H new ATOM 0 HD23 LEU A 15 12.939 20.277 3.056 1.00 64.45 H new ATOM 246 N ARG A 16 11.784 23.084 -0.979 1.00 2.41 N ATOM 247 CA ARG A 16 11.618 24.300 -1.765 1.00 31.15 C ATOM 248 C ARG A 16 10.394 25.086 -1.295 1.00 5.31 C ATOM 249 O ARG A 16 10.378 26.312 -1.358 1.00 11.03 O ATOM 250 CB ARG A 16 11.515 23.982 -3.264 1.00 12.41 C ATOM 251 CG ARG A 16 10.242 23.259 -3.668 1.00 75.42 C ATOM 252 CD ARG A 16 10.257 22.878 -5.139 1.00 13.34 C ATOM 253 NE ARG A 16 10.380 24.042 -6.015 1.00 41.44 N ATOM 254 CZ ARG A 16 9.949 24.069 -7.275 1.00 71.15 C ATOM 255 NH1 ARG A 16 9.362 23.000 -7.801 1.00 44.40 N ATOM 256 NH2 ARG A 16 10.109 25.164 -8.007 1.00 61.31 N ATOM 0 H ARG A 16 11.581 22.220 -1.482 1.00 2.41 H new ATOM 0 HA ARG A 16 12.503 24.919 -1.613 1.00 31.15 H new ATOM 0 HB2 ARG A 16 11.583 24.914 -3.826 1.00 12.41 H new ATOM 0 HB3 ARG A 16 12.371 23.373 -3.553 1.00 12.41 H new ATOM 0 HG2 ARG A 16 10.124 22.362 -3.060 1.00 75.42 H new ATOM 0 HG3 ARG A 16 9.381 23.896 -3.466 1.00 75.42 H new ATOM 0 HD2 ARG A 16 11.087 22.196 -5.326 1.00 13.34 H new ATOM 0 HD3 ARG A 16 9.341 22.339 -5.381 1.00 13.34 H new ATOM 0 HE ARG A 16 10.821 24.882 -5.640 1.00 41.44 H new ATOM 0 HH11 ARG A 16 9.241 22.157 -7.240 1.00 44.40 H new ATOM 0 HH12 ARG A 16 9.032 23.022 -8.766 1.00 44.40 H new ATOM 0 HH21 ARG A 16 10.562 25.985 -7.605 1.00 61.31 H new ATOM 0 HH22 ARG A 16 9.779 25.185 -8.972 1.00 61.31 H new ATOM 270 N ALA A 17 9.374 24.382 -0.814 1.00 2.12 N ATOM 271 CA ALA A 17 8.190 25.034 -0.271 1.00 33.54 C ATOM 272 C ALA A 17 8.561 25.840 0.960 1.00 24.54 C ATOM 273 O ALA A 17 8.062 26.947 1.166 1.00 1.33 O ATOM 274 CB ALA A 17 7.114 24.013 0.067 1.00 34.13 C ATOM 0 H ALA A 17 9.344 23.363 -0.790 1.00 2.12 H new ATOM 0 HA ALA A 17 7.789 25.708 -1.028 1.00 33.54 H new ATOM 0 HB1 ALA A 17 6.240 24.525 0.471 1.00 34.13 H new ATOM 0 HB2 ALA A 17 6.832 23.470 -0.835 1.00 34.13 H new ATOM 0 HB3 ALA A 17 7.498 23.312 0.808 1.00 34.13 H new ATOM 280 N GLY A 18 9.451 25.277 1.770 1.00 51.14 N ATOM 281 CA GLY A 18 9.939 25.975 2.941 1.00 30.22 C ATOM 282 C GLY A 18 10.927 27.079 2.600 1.00 44.24 C ATOM 283 O GLY A 18 11.218 27.934 3.438 1.00 11.14 O ATOM 0 H GLY A 18 9.844 24.345 1.634 1.00 51.14 H new ATOM 0 HA2 GLY A 18 9.095 26.403 3.481 1.00 30.22 H new ATOM 0 HA3 GLY A 18 10.417 25.261 3.611 1.00 30.22 H new ATOM 287 N TYR A 19 11.439 27.074 1.368 1.00 34.05 N ATOM 288 CA TYR A 19 12.432 28.060 0.950 1.00 45.12 C ATOM 289 C TYR A 19 12.252 28.450 -0.516 1.00 10.22 C ATOM 290 O TYR A 19 12.975 27.965 -1.391 1.00 41.13 O ATOM 291 CB TYR A 19 13.853 27.532 1.162 1.00 74.13 C ATOM 292 CG TYR A 19 14.312 27.541 2.602 1.00 10.41 C ATOM 293 CD1 TYR A 19 14.638 28.734 3.232 1.00 25.43 C ATOM 294 CD2 TYR A 19 14.436 26.360 3.328 1.00 61.34 C ATOM 295 CE1 TYR A 19 15.070 28.752 4.540 1.00 22.44 C ATOM 296 CE2 TYR A 19 14.873 26.372 4.634 1.00 73.24 C ATOM 297 CZ TYR A 19 15.188 27.570 5.235 1.00 34.14 C ATOM 298 OH TYR A 19 15.637 27.584 6.533 1.00 52.11 O ATOM 0 H TYR A 19 11.183 26.400 0.646 1.00 34.05 H new ATOM 0 HA TYR A 19 12.281 28.945 1.569 1.00 45.12 H new ATOM 0 HB2 TYR A 19 13.910 26.512 0.781 1.00 74.13 H new ATOM 0 HB3 TYR A 19 14.543 28.132 0.569 1.00 74.13 H new ATOM 0 HD1 TYR A 19 14.552 29.663 2.688 1.00 25.43 H new ATOM 0 HD2 TYR A 19 14.186 25.419 2.860 1.00 61.34 H new ATOM 0 HE1 TYR A 19 15.315 29.689 5.018 1.00 22.44 H new ATOM 0 HE2 TYR A 19 14.968 25.447 5.183 1.00 73.24 H new ATOM 0 HH TYR A 19 16.606 27.437 6.546 1.00 52.11 H new ATOM 308 N PRO A 20 11.284 29.334 -0.809 1.00 2.25 N ATOM 309 CA PRO A 20 11.014 29.786 -2.179 1.00 33.00 C ATOM 310 C PRO A 20 12.137 30.664 -2.732 1.00 63.40 C ATOM 311 O PRO A 20 12.273 30.834 -3.946 1.00 22.41 O ATOM 312 CB PRO A 20 9.717 30.589 -2.044 1.00 62.04 C ATOM 313 CG PRO A 20 9.680 31.030 -0.621 1.00 43.04 C ATOM 314 CD PRO A 20 10.363 29.947 0.169 1.00 11.52 C ATOM 0 HA PRO A 20 10.938 28.951 -2.876 1.00 33.00 H new ATOM 0 HB2 PRO A 20 9.710 31.443 -2.722 1.00 62.04 H new ATOM 0 HB3 PRO A 20 8.848 29.979 -2.290 1.00 62.04 H new ATOM 0 HG2 PRO A 20 10.190 31.985 -0.495 1.00 43.04 H new ATOM 0 HG3 PRO A 20 8.653 31.171 -0.283 1.00 43.04 H new ATOM 0 HD2 PRO A 20 10.900 30.354 1.026 1.00 11.52 H new ATOM 0 HD3 PRO A 20 9.648 29.221 0.556 1.00 11.52 H new ATOM 322 N GLU A 21 12.939 31.219 -1.831 1.00 2.11 N ATOM 323 CA GLU A 21 14.072 32.054 -2.217 1.00 73.24 C ATOM 324 C GLU A 21 15.358 31.238 -2.219 1.00 20.44 C ATOM 325 O GLU A 21 16.431 31.747 -2.542 1.00 40.30 O ATOM 326 CB GLU A 21 14.215 33.229 -1.250 1.00 43.24 C ATOM 327 CG GLU A 21 12.988 34.121 -1.180 1.00 22.23 C ATOM 328 CD GLU A 21 13.115 35.181 -0.108 1.00 20.12 C ATOM 329 OE1 GLU A 21 12.740 34.902 1.047 1.00 51.00 O ATOM 330 OE2 GLU A 21 13.595 36.291 -0.412 1.00 52.40 O ATOM 0 H GLU A 21 12.825 31.106 -0.824 1.00 2.11 H new ATOM 0 HA GLU A 21 13.891 32.435 -3.222 1.00 73.24 H new ATOM 0 HB2 GLU A 21 14.429 32.843 -0.253 1.00 43.24 H new ATOM 0 HB3 GLU A 21 15.073 33.831 -1.549 1.00 43.24 H new ATOM 0 HG2 GLU A 21 12.833 34.600 -2.147 1.00 22.23 H new ATOM 0 HG3 GLU A 21 12.107 33.510 -0.983 1.00 22.23 H new ATOM 337 N GLY A 22 15.241 29.969 -1.858 1.00 34.52 N ATOM 338 CA GLY A 22 16.406 29.121 -1.752 1.00 33.44 C ATOM 339 C GLY A 22 16.918 29.051 -0.330 1.00 53.53 C ATOM 340 O GLY A 22 16.592 29.908 0.493 1.00 11.30 O ATOM 0 H GLY A 22 14.357 29.512 -1.636 1.00 34.52 H new ATOM 0 HA2 GLY A 22 16.159 28.118 -2.100 1.00 33.44 H new ATOM 0 HA3 GLY A 22 17.193 29.500 -2.404 1.00 33.44 H new ATOM 344 N ILE A 23 17.713 28.033 -0.040 1.00 21.02 N ATOM 345 CA ILE A 23 18.246 27.837 1.300 1.00 2.44 C ATOM 346 C ILE A 23 19.552 28.603 1.466 1.00 35.10 C ATOM 347 O ILE A 23 20.485 28.416 0.682 1.00 4.14 O ATOM 348 CB ILE A 23 18.500 26.339 1.618 1.00 73.03 C ATOM 349 CG1 ILE A 23 17.209 25.513 1.528 1.00 44.05 C ATOM 350 CG2 ILE A 23 19.129 26.182 3.000 1.00 11.14 C ATOM 351 CD1 ILE A 23 16.767 25.197 0.114 1.00 33.31 C ATOM 0 H ILE A 23 18.004 27.327 -0.717 1.00 21.02 H new ATOM 0 HA ILE A 23 17.495 28.212 1.996 1.00 2.44 H new ATOM 0 HB ILE A 23 19.193 25.960 0.867 1.00 73.03 H new ATOM 0 HG12 ILE A 23 17.352 24.578 2.069 1.00 44.05 H new ATOM 0 HG13 ILE A 23 16.409 26.054 2.033 1.00 44.05 H new ATOM 0 HG21 ILE A 23 19.299 25.125 3.204 1.00 11.14 H new ATOM 0 HG22 ILE A 23 20.079 26.715 3.030 1.00 11.14 H new ATOM 0 HG23 ILE A 23 18.458 26.594 3.754 1.00 11.14 H new ATOM 0 HD11 ILE A 23 15.848 24.611 0.142 1.00 33.31 H new ATOM 0 HD12 ILE A 23 16.589 26.126 -0.428 1.00 33.31 H new ATOM 0 HD13 ILE A 23 17.546 24.626 -0.392 1.00 33.31 H new ATOM 363 N PRO A 24 19.610 29.503 2.459 1.00 3.32 N ATOM 364 CA PRO A 24 20.832 30.232 2.807 1.00 71.45 C ATOM 365 C PRO A 24 22.002 29.294 3.157 1.00 31.25 C ATOM 366 O PRO A 24 21.808 28.109 3.443 1.00 10.15 O ATOM 367 CB PRO A 24 20.450 31.075 4.029 1.00 34.22 C ATOM 368 CG PRO A 24 18.966 30.980 4.190 1.00 32.44 C ATOM 369 CD PRO A 24 18.459 29.882 3.294 1.00 74.45 C ATOM 0 HA PRO A 24 21.179 30.829 1.964 1.00 71.45 H new ATOM 0 HB2 PRO A 24 20.957 30.709 4.922 1.00 34.22 H new ATOM 0 HB3 PRO A 24 20.756 32.112 3.891 1.00 34.22 H new ATOM 0 HG2 PRO A 24 18.710 30.770 5.229 1.00 32.44 H new ATOM 0 HG3 PRO A 24 18.495 31.928 3.931 1.00 32.44 H new ATOM 0 HD2 PRO A 24 18.098 29.034 3.876 1.00 74.45 H new ATOM 0 HD3 PRO A 24 17.625 30.226 2.682 1.00 74.45 H new ATOM 377 N PRO A 25 23.241 29.820 3.159 1.00 35.02 N ATOM 378 CA PRO A 25 24.446 29.013 3.384 1.00 12.04 C ATOM 379 C PRO A 25 24.731 28.722 4.860 1.00 11.40 C ATOM 380 O PRO A 25 25.841 28.321 5.215 1.00 22.20 O ATOM 381 CB PRO A 25 25.550 29.890 2.798 1.00 2.20 C ATOM 382 CG PRO A 25 25.073 31.286 3.009 1.00 24.32 C ATOM 383 CD PRO A 25 23.569 31.241 2.925 1.00 72.20 C ATOM 0 HA PRO A 25 24.353 28.025 2.933 1.00 12.04 H new ATOM 0 HB2 PRO A 25 26.502 29.716 3.299 1.00 2.20 H new ATOM 0 HB3 PRO A 25 25.704 29.679 1.740 1.00 2.20 H new ATOM 0 HG2 PRO A 25 25.396 31.664 3.979 1.00 24.32 H new ATOM 0 HG3 PRO A 25 25.484 31.955 2.253 1.00 24.32 H new ATOM 0 HD2 PRO A 25 23.108 31.886 3.673 1.00 72.20 H new ATOM 0 HD3 PRO A 25 23.213 31.578 1.951 1.00 72.20 H new ATOM 391 N THR A 26 23.737 28.913 5.710 1.00 51.12 N ATOM 392 CA THR A 26 23.901 28.657 7.134 1.00 71.04 C ATOM 393 C THR A 26 23.021 27.491 7.572 1.00 51.20 C ATOM 394 O THR A 26 23.488 26.526 8.180 1.00 74.44 O ATOM 395 CB THR A 26 23.536 29.902 7.964 1.00 21.22 C ATOM 396 OG1 THR A 26 24.177 31.062 7.417 1.00 52.23 O ATOM 397 CG2 THR A 26 23.953 29.731 9.419 1.00 51.12 C ATOM 0 H THR A 26 22.810 29.243 5.442 1.00 51.12 H new ATOM 0 HA THR A 26 24.948 28.409 7.306 1.00 71.04 H new ATOM 0 HB THR A 26 22.454 30.028 7.925 1.00 21.22 H new ATOM 0 HG1 THR A 26 23.938 31.849 7.949 1.00 52.23 H new ATOM 0 HG21 THR A 26 23.683 30.624 9.982 1.00 51.12 H new ATOM 0 HG22 THR A 26 23.443 28.866 9.844 1.00 51.12 H new ATOM 0 HG23 THR A 26 25.031 29.579 9.473 1.00 51.12 H new ATOM 405 N ASP A 27 21.750 27.580 7.218 1.00 40.23 N ATOM 406 CA ASP A 27 20.751 26.604 7.629 1.00 64.21 C ATOM 407 C ASP A 27 20.776 25.381 6.730 1.00 23.45 C ATOM 408 O ASP A 27 20.097 24.393 6.996 1.00 13.20 O ATOM 409 CB ASP A 27 19.365 27.242 7.601 1.00 62.14 C ATOM 410 CG ASP A 27 19.073 27.883 6.277 1.00 1.21 C ATOM 411 OD1 ASP A 27 19.817 28.808 5.904 1.00 12.42 O ATOM 412 OD2 ASP A 27 18.101 27.475 5.620 1.00 22.33 O ATOM 0 H ASP A 27 21.380 28.332 6.637 1.00 40.23 H new ATOM 0 HA ASP A 27 20.985 26.282 8.644 1.00 64.21 H new ATOM 0 HB2 ASP A 27 18.611 26.483 7.811 1.00 62.14 H new ATOM 0 HB3 ASP A 27 19.293 27.990 8.391 1.00 62.14 H new ATOM 417 N SER A 28 21.565 25.446 5.669 1.00 54.23 N ATOM 418 CA SER A 28 21.763 24.297 4.799 1.00 53.34 C ATOM 419 C SER A 28 22.389 23.145 5.584 1.00 42.43 C ATOM 420 O SER A 28 22.069 21.974 5.363 1.00 42.13 O ATOM 421 CB SER A 28 22.633 24.696 3.609 1.00 4.45 C ATOM 422 OG SER A 28 23.563 25.698 3.981 1.00 12.42 O ATOM 0 H SER A 28 22.079 26.282 5.389 1.00 54.23 H new ATOM 0 HA SER A 28 20.799 23.957 4.419 1.00 53.34 H new ATOM 0 HB2 SER A 28 23.164 23.822 3.232 1.00 4.45 H new ATOM 0 HB3 SER A 28 22.003 25.061 2.798 1.00 4.45 H new ATOM 0 HG SER A 28 23.161 26.582 3.852 1.00 12.42 H new ATOM 428 N PHE A 29 23.263 23.492 6.525 1.00 42.55 N ATOM 429 CA PHE A 29 23.842 22.516 7.440 1.00 4.12 C ATOM 430 C PHE A 29 22.754 21.934 8.339 1.00 35.43 C ATOM 431 O PHE A 29 22.771 20.752 8.681 1.00 12.15 O ATOM 432 CB PHE A 29 24.929 23.163 8.305 1.00 33.34 C ATOM 433 CG PHE A 29 26.154 23.608 7.550 1.00 34.33 C ATOM 434 CD1 PHE A 29 26.166 24.806 6.850 1.00 60.53 C ATOM 435 CD2 PHE A 29 27.302 22.830 7.555 1.00 24.54 C ATOM 436 CE1 PHE A 29 27.298 25.219 6.172 1.00 42.44 C ATOM 437 CE2 PHE A 29 28.435 23.238 6.877 1.00 25.20 C ATOM 438 CZ PHE A 29 28.433 24.433 6.184 1.00 14.20 C ATOM 0 H PHE A 29 23.586 24.448 6.673 1.00 42.55 H new ATOM 0 HA PHE A 29 24.292 21.718 6.850 1.00 4.12 H new ATOM 0 HB2 PHE A 29 24.501 24.025 8.817 1.00 33.34 H new ATOM 0 HB3 PHE A 29 25.232 22.453 9.075 1.00 33.34 H new ATOM 0 HD1 PHE A 29 25.280 25.424 6.835 1.00 60.53 H new ATOM 0 HD2 PHE A 29 27.311 21.895 8.095 1.00 24.54 H new ATOM 0 HE1 PHE A 29 27.294 26.155 5.634 1.00 42.44 H new ATOM 0 HE2 PHE A 29 29.322 22.622 6.889 1.00 25.20 H new ATOM 0 HZ PHE A 29 29.318 24.752 5.653 1.00 14.20 H new ATOM 448 N ALA A 30 21.805 22.780 8.715 1.00 14.21 N ATOM 449 CA ALA A 30 20.703 22.371 9.573 1.00 35.22 C ATOM 450 C ALA A 30 19.770 21.424 8.826 1.00 13.34 C ATOM 451 O ALA A 30 19.339 20.402 9.368 1.00 31.42 O ATOM 452 CB ALA A 30 19.948 23.591 10.069 1.00 43.15 C ATOM 0 H ALA A 30 21.777 23.761 8.437 1.00 14.21 H new ATOM 0 HA ALA A 30 21.106 21.840 10.435 1.00 35.22 H new ATOM 0 HB1 ALA A 30 19.125 23.274 10.710 1.00 43.15 H new ATOM 0 HB2 ALA A 30 20.624 24.232 10.636 1.00 43.15 H new ATOM 0 HB3 ALA A 30 19.552 24.145 9.218 1.00 43.15 H new ATOM 458 N VAL A 31 19.466 21.770 7.576 1.00 22.11 N ATOM 459 CA VAL A 31 18.693 20.893 6.705 1.00 35.35 C ATOM 460 C VAL A 31 19.390 19.541 6.598 1.00 24.34 C ATOM 461 O VAL A 31 18.756 18.487 6.680 1.00 23.22 O ATOM 462 CB VAL A 31 18.528 21.494 5.289 1.00 1.31 C ATOM 463 CG1 VAL A 31 17.752 20.549 4.384 1.00 65.31 C ATOM 464 CG2 VAL A 31 17.840 22.848 5.353 1.00 4.31 C ATOM 0 H VAL A 31 19.744 22.652 7.146 1.00 22.11 H new ATOM 0 HA VAL A 31 17.701 20.777 7.142 1.00 35.35 H new ATOM 0 HB VAL A 31 19.524 21.632 4.867 1.00 1.31 H new ATOM 0 HG11 VAL A 31 17.650 20.995 3.395 1.00 65.31 H new ATOM 0 HG12 VAL A 31 18.287 19.603 4.302 1.00 65.31 H new ATOM 0 HG13 VAL A 31 16.763 20.371 4.806 1.00 65.31 H new ATOM 0 HG21 VAL A 31 17.735 23.251 4.346 1.00 4.31 H new ATOM 0 HG22 VAL A 31 16.854 22.734 5.803 1.00 4.31 H new ATOM 0 HG23 VAL A 31 18.437 23.531 5.957 1.00 4.31 H new ATOM 474 N LEU A 32 20.705 19.597 6.429 1.00 10.50 N ATOM 475 CA LEU A 32 21.546 18.409 6.406 1.00 25.41 C ATOM 476 C LEU A 32 21.337 17.561 7.661 1.00 40.04 C ATOM 477 O LEU A 32 21.101 16.355 7.571 1.00 73.03 O ATOM 478 CB LEU A 32 23.009 18.844 6.296 1.00 30.42 C ATOM 479 CG LEU A 32 24.050 17.815 6.731 1.00 42.24 C ATOM 480 CD1 LEU A 32 24.122 16.663 5.743 1.00 63.55 C ATOM 481 CD2 LEU A 32 25.406 18.479 6.888 1.00 45.32 C ATOM 0 H LEU A 32 21.218 20.469 6.304 1.00 10.50 H new ATOM 0 HA LEU A 32 21.274 17.796 5.547 1.00 25.41 H new ATOM 0 HB2 LEU A 32 23.209 19.117 5.260 1.00 30.42 H new ATOM 0 HB3 LEU A 32 23.145 19.744 6.895 1.00 30.42 H new ATOM 0 HG LEU A 32 23.750 17.406 7.696 1.00 42.24 H new ATOM 0 HD11 LEU A 32 24.871 15.944 6.076 1.00 63.55 H new ATOM 0 HD12 LEU A 32 23.150 16.173 5.684 1.00 63.55 H new ATOM 0 HD13 LEU A 32 24.397 17.044 4.759 1.00 63.55 H new ATOM 0 HD21 LEU A 32 26.141 17.736 7.198 1.00 45.32 H new ATOM 0 HD22 LEU A 32 25.710 18.915 5.936 1.00 45.32 H new ATOM 0 HD23 LEU A 32 25.342 19.263 7.642 1.00 45.32 H new ATOM 493 N ALA A 33 21.389 18.203 8.824 1.00 25.31 N ATOM 494 CA ALA A 33 21.243 17.504 10.097 1.00 12.22 C ATOM 495 C ALA A 33 19.862 16.874 10.231 1.00 4.10 C ATOM 496 O ALA A 33 19.712 15.810 10.835 1.00 40.14 O ATOM 497 CB ALA A 33 21.494 18.454 11.255 1.00 3.22 C ATOM 0 H ALA A 33 21.532 19.209 8.911 1.00 25.31 H new ATOM 0 HA ALA A 33 21.984 16.705 10.122 1.00 12.22 H new ATOM 0 HB1 ALA A 33 21.381 17.917 12.197 1.00 3.22 H new ATOM 0 HB2 ALA A 33 22.505 18.855 11.184 1.00 3.22 H new ATOM 0 HB3 ALA A 33 20.776 19.273 11.216 1.00 3.22 H new ATOM 503 N LEU A 34 18.857 17.550 9.692 1.00 53.14 N ATOM 504 CA LEU A 34 17.494 17.043 9.728 1.00 63.15 C ATOM 505 C LEU A 34 17.343 15.844 8.786 1.00 74.13 C ATOM 506 O LEU A 34 16.909 14.769 9.197 1.00 75.13 O ATOM 507 CB LEU A 34 16.505 18.159 9.355 1.00 2.44 C ATOM 508 CG LEU A 34 15.063 17.975 9.855 1.00 20.15 C ATOM 509 CD1 LEU A 34 14.349 16.864 9.101 1.00 40.53 C ATOM 510 CD2 LEU A 34 15.056 17.695 11.353 1.00 2.14 C ATOM 0 H LEU A 34 18.961 18.451 9.225 1.00 53.14 H new ATOM 0 HA LEU A 34 17.270 16.708 10.741 1.00 63.15 H new ATOM 0 HB2 LEU A 34 16.887 19.102 9.747 1.00 2.44 H new ATOM 0 HB3 LEU A 34 16.483 18.250 8.269 1.00 2.44 H new ATOM 0 HG LEU A 34 14.522 18.902 9.666 1.00 20.15 H new ATOM 0 HD11 LEU A 34 13.332 16.762 9.481 1.00 40.53 H new ATOM 0 HD12 LEU A 34 14.317 17.107 8.039 1.00 40.53 H new ATOM 0 HD13 LEU A 34 14.885 15.926 9.242 1.00 40.53 H new ATOM 0 HD21 LEU A 34 14.029 17.567 11.694 1.00 2.14 H new ATOM 0 HD22 LEU A 34 15.622 16.786 11.556 1.00 2.14 H new ATOM 0 HD23 LEU A 34 15.512 18.532 11.882 1.00 2.14 H new ATOM 522 N LEU A 35 17.732 16.033 7.530 1.00 33.13 N ATOM 523 CA LEU A 35 17.533 15.016 6.499 1.00 40.52 C ATOM 524 C LEU A 35 18.407 13.784 6.722 1.00 5.24 C ATOM 525 O LEU A 35 18.072 12.698 6.251 1.00 72.35 O ATOM 526 CB LEU A 35 17.781 15.601 5.105 1.00 55.52 C ATOM 527 CG LEU A 35 16.553 16.218 4.421 1.00 3.21 C ATOM 528 CD1 LEU A 35 15.465 15.168 4.239 1.00 51.22 C ATOM 529 CD2 LEU A 35 16.015 17.398 5.215 1.00 64.40 C ATOM 0 H LEU A 35 18.188 16.883 7.199 1.00 33.13 H new ATOM 0 HA LEU A 35 16.494 14.693 6.569 1.00 40.52 H new ATOM 0 HB2 LEU A 35 18.554 16.365 5.183 1.00 55.52 H new ATOM 0 HB3 LEU A 35 18.175 14.813 4.464 1.00 55.52 H new ATOM 0 HG LEU A 35 16.863 16.582 3.441 1.00 3.21 H new ATOM 0 HD11 LEU A 35 14.601 15.620 3.753 1.00 51.22 H new ATOM 0 HD12 LEU A 35 15.844 14.354 3.621 1.00 51.22 H new ATOM 0 HD13 LEU A 35 15.170 14.777 5.213 1.00 51.22 H new ATOM 0 HD21 LEU A 35 15.146 17.814 4.705 1.00 64.40 H new ATOM 0 HD22 LEU A 35 15.726 17.064 6.212 1.00 64.40 H new ATOM 0 HD23 LEU A 35 16.787 18.163 5.298 1.00 64.40 H new ATOM 541 N CYS A 36 19.515 13.942 7.442 1.00 33.14 N ATOM 542 CA CYS A 36 20.368 12.804 7.806 1.00 11.42 C ATOM 543 C CYS A 36 19.631 11.806 8.696 1.00 12.21 C ATOM 544 O CYS A 36 20.086 10.679 8.895 1.00 70.34 O ATOM 545 CB CYS A 36 21.633 13.275 8.521 1.00 4.50 C ATOM 546 SG CYS A 36 22.879 13.985 7.428 1.00 54.32 S ATOM 0 H CYS A 36 19.846 14.843 7.786 1.00 33.14 H new ATOM 0 HA CYS A 36 20.641 12.306 6.876 1.00 11.42 H new ATOM 0 HB2 CYS A 36 21.358 14.017 9.271 1.00 4.50 H new ATOM 0 HB3 CYS A 36 22.071 12.431 9.054 1.00 4.50 H new ATOM 0 HG CYS A 36 22.665 15.260 7.296 1.00 54.32 H new ATOM 552 N ARG A 37 18.504 12.233 9.245 1.00 51.20 N ATOM 553 CA ARG A 37 17.712 11.391 10.126 1.00 34.43 C ATOM 554 C ARG A 37 16.600 10.709 9.339 1.00 14.35 C ATOM 555 O ARG A 37 15.804 9.949 9.888 1.00 42.53 O ATOM 556 CB ARG A 37 17.140 12.233 11.264 1.00 32.30 C ATOM 557 CG ARG A 37 18.186 13.122 11.918 1.00 43.23 C ATOM 558 CD ARG A 37 17.613 13.925 13.071 1.00 5.05 C ATOM 559 NE ARG A 37 18.583 14.892 13.584 1.00 43.43 N ATOM 560 CZ ARG A 37 18.739 15.183 14.877 1.00 2.44 C ATOM 561 NH1 ARG A 37 17.980 14.595 15.791 1.00 61.42 N ATOM 562 NH2 ARG A 37 19.652 16.067 15.260 1.00 55.24 N ATOM 0 H ARG A 37 18.116 13.164 9.094 1.00 51.20 H new ATOM 0 HA ARG A 37 18.347 10.616 10.554 1.00 34.43 H new ATOM 0 HB2 ARG A 37 16.330 12.853 10.880 1.00 32.30 H new ATOM 0 HB3 ARG A 37 16.707 11.574 12.017 1.00 32.30 H new ATOM 0 HG2 ARG A 37 19.009 12.506 12.280 1.00 43.23 H new ATOM 0 HG3 ARG A 37 18.600 13.802 11.173 1.00 43.23 H new ATOM 0 HD2 ARG A 37 16.716 14.448 12.741 1.00 5.05 H new ATOM 0 HD3 ARG A 37 17.312 13.250 13.872 1.00 5.05 H new ATOM 0 HE ARG A 37 19.178 15.375 12.911 1.00 43.43 H new ATOM 0 HH11 ARG A 37 17.273 13.917 15.507 1.00 61.42 H new ATOM 0 HH12 ARG A 37 18.103 14.821 16.778 1.00 61.42 H new ATOM 0 HH21 ARG A 37 20.239 16.528 14.565 1.00 55.24 H new ATOM 0 HH22 ARG A 37 19.767 16.285 16.250 1.00 55.24 H new ATOM 576 N ARG A 38 16.548 11.008 8.048 1.00 2.53 N ATOM 577 CA ARG A 38 15.581 10.398 7.149 1.00 2.05 C ATOM 578 C ARG A 38 16.298 9.555 6.095 1.00 61.41 C ATOM 579 O ARG A 38 15.943 8.401 5.861 1.00 11.31 O ATOM 580 CB ARG A 38 14.728 11.477 6.470 1.00 23.14 C ATOM 581 CG ARG A 38 13.759 10.934 5.425 1.00 24.55 C ATOM 582 CD ARG A 38 12.483 10.360 6.039 1.00 5.44 C ATOM 583 NE ARG A 38 12.734 9.273 6.984 1.00 52.14 N ATOM 584 CZ ARG A 38 12.816 7.983 6.648 1.00 24.15 C ATOM 585 NH1 ARG A 38 12.765 7.613 5.373 1.00 53.54 N ATOM 586 NH2 ARG A 38 12.958 7.064 7.594 1.00 25.01 N ATOM 0 H ARG A 38 17.172 11.677 7.597 1.00 2.53 H new ATOM 0 HA ARG A 38 14.926 9.751 7.732 1.00 2.05 H new ATOM 0 HB2 ARG A 38 14.162 12.012 7.233 1.00 23.14 H new ATOM 0 HB3 ARG A 38 15.388 12.203 5.996 1.00 23.14 H new ATOM 0 HG2 ARG A 38 13.495 11.733 4.732 1.00 24.55 H new ATOM 0 HG3 ARG A 38 14.257 10.158 4.843 1.00 24.55 H new ATOM 0 HD2 ARG A 38 11.943 11.158 6.549 1.00 5.44 H new ATOM 0 HD3 ARG A 38 11.836 9.996 5.241 1.00 5.44 H new ATOM 0 HE ARG A 38 12.855 9.517 7.967 1.00 52.14 H new ATOM 0 HH11 ARG A 38 12.662 8.316 4.642 1.00 53.54 H new ATOM 0 HH12 ARG A 38 12.828 6.625 5.126 1.00 53.54 H new ATOM 0 HH21 ARG A 38 13.004 7.344 8.574 1.00 25.01 H new ATOM 0 HH22 ARG A 38 13.021 6.078 7.342 1.00 25.01 H new ATOM 600 N LEU A 39 17.313 10.137 5.468 1.00 65.23 N ATOM 601 CA LEU A 39 18.044 9.466 4.400 1.00 20.15 C ATOM 602 C LEU A 39 19.543 9.517 4.665 1.00 65.21 C ATOM 603 O LEU A 39 19.985 10.085 5.666 1.00 43.15 O ATOM 604 CB LEU A 39 17.725 10.117 3.052 1.00 10.31 C ATOM 605 CG LEU A 39 16.269 9.987 2.595 1.00 51.21 C ATOM 606 CD1 LEU A 39 16.033 10.789 1.325 1.00 2.22 C ATOM 607 CD2 LEU A 39 15.906 8.527 2.375 1.00 20.33 C ATOM 0 H LEU A 39 17.650 11.076 5.682 1.00 65.23 H new ATOM 0 HA LEU A 39 17.732 8.422 4.371 1.00 20.15 H new ATOM 0 HB2 LEU A 39 17.978 11.176 3.109 1.00 10.31 H new ATOM 0 HB3 LEU A 39 18.369 9.675 2.291 1.00 10.31 H new ATOM 0 HG LEU A 39 15.628 10.388 3.380 1.00 51.21 H new ATOM 0 HD11 LEU A 39 14.993 10.684 1.016 1.00 2.22 H new ATOM 0 HD12 LEU A 39 16.251 11.840 1.513 1.00 2.22 H new ATOM 0 HD13 LEU A 39 16.685 10.419 0.534 1.00 2.22 H new ATOM 0 HD21 LEU A 39 14.868 8.455 2.051 1.00 20.33 H new ATOM 0 HD22 LEU A 39 16.555 8.102 1.610 1.00 20.33 H new ATOM 0 HD23 LEU A 39 16.034 7.976 3.307 1.00 20.33 H new ATOM 619 N SER A 40 20.323 8.917 3.776 1.00 0.33 N ATOM 620 CA SER A 40 21.766 8.875 3.936 1.00 2.24 C ATOM 621 C SER A 40 22.433 10.048 3.215 1.00 60.02 C ATOM 622 O SER A 40 21.776 10.818 2.495 1.00 20.13 O ATOM 623 CB SER A 40 22.312 7.550 3.406 1.00 31.30 C ATOM 624 OG SER A 40 21.547 6.455 3.884 1.00 44.04 O ATOM 0 H SER A 40 19.978 8.453 2.936 1.00 0.33 H new ATOM 0 HA SER A 40 21.995 8.957 4.998 1.00 2.24 H new ATOM 0 HB2 SER A 40 22.300 7.558 2.316 1.00 31.30 H new ATOM 0 HB3 SER A 40 23.351 7.433 3.712 1.00 31.30 H new ATOM 0 HG SER A 40 20.737 6.360 3.341 1.00 44.04 H new ATOM 630 N HIS A 41 23.746 10.167 3.410 1.00 13.31 N ATOM 631 CA HIS A 41 24.525 11.265 2.840 1.00 75.25 C ATOM 632 C HIS A 41 24.410 11.330 1.315 1.00 41.11 C ATOM 633 O HIS A 41 24.454 12.413 0.739 1.00 41.13 O ATOM 634 CB HIS A 41 26.005 11.167 3.258 1.00 10.05 C ATOM 635 CG HIS A 41 26.739 9.967 2.725 1.00 74.22 C ATOM 636 ND1 HIS A 41 27.809 10.059 1.859 1.00 64.11 N ATOM 637 CD2 HIS A 41 26.568 8.645 2.960 1.00 31.41 C ATOM 638 CE1 HIS A 41 28.259 8.848 1.588 1.00 64.54 C ATOM 639 NE2 HIS A 41 27.523 7.972 2.243 1.00 43.23 N ATOM 0 H HIS A 41 24.296 9.510 3.963 1.00 13.31 H new ATOM 0 HA HIS A 41 24.104 12.187 3.240 1.00 75.25 H new ATOM 0 HB2 HIS A 41 26.521 12.067 2.925 1.00 10.05 H new ATOM 0 HB3 HIS A 41 26.059 11.153 4.347 1.00 10.05 H new ATOM 0 HD2 HIS A 41 25.816 8.201 3.596 1.00 31.41 H new ATOM 0 HE1 HIS A 41 29.090 8.614 0.939 1.00 64.54 H new ATOM 0 HE2 HIS A 41 27.644 6.959 2.220 1.00 43.23 H new ATOM 648 N ASP A 42 24.245 10.185 0.663 1.00 23.54 N ATOM 649 CA ASP A 42 24.159 10.164 -0.794 1.00 0.05 C ATOM 650 C ASP A 42 22.812 10.690 -1.266 1.00 12.44 C ATOM 651 O ASP A 42 22.743 11.449 -2.231 1.00 21.11 O ATOM 652 CB ASP A 42 24.408 8.763 -1.351 1.00 61.05 C ATOM 653 CG ASP A 42 25.878 8.398 -1.351 1.00 60.32 C ATOM 654 OD1 ASP A 42 26.615 8.886 -2.234 1.00 11.00 O ATOM 655 OD2 ASP A 42 26.306 7.629 -0.467 1.00 63.43 O ATOM 0 H ASP A 42 24.169 9.272 1.111 1.00 23.54 H new ATOM 0 HA ASP A 42 24.941 10.820 -1.175 1.00 0.05 H new ATOM 0 HB2 ASP A 42 23.855 8.035 -0.758 1.00 61.05 H new ATOM 0 HB3 ASP A 42 24.021 8.705 -2.368 1.00 61.05 H new ATOM 660 N GLU A 43 21.746 10.290 -0.582 1.00 14.52 N ATOM 661 CA GLU A 43 20.410 10.768 -0.910 1.00 51.01 C ATOM 662 C GLU A 43 20.313 12.274 -0.712 1.00 73.32 C ATOM 663 O GLU A 43 19.819 12.987 -1.587 1.00 20.03 O ATOM 664 CB GLU A 43 19.333 10.074 -0.069 1.00 51.22 C ATOM 665 CG GLU A 43 19.269 8.568 -0.250 1.00 54.12 C ATOM 666 CD GLU A 43 20.216 7.832 0.672 1.00 74.12 C ATOM 667 OE1 GLU A 43 21.435 7.837 0.410 1.00 43.22 O ATOM 668 OE2 GLU A 43 19.741 7.254 1.671 1.00 44.24 O ATOM 0 H GLU A 43 21.782 9.637 0.201 1.00 14.52 H new ATOM 0 HA GLU A 43 20.235 10.526 -1.958 1.00 51.01 H new ATOM 0 HB2 GLU A 43 19.513 10.294 0.983 1.00 51.22 H new ATOM 0 HB3 GLU A 43 18.362 10.500 -0.322 1.00 51.22 H new ATOM 0 HG2 GLU A 43 18.250 8.226 -0.067 1.00 54.12 H new ATOM 0 HG3 GLU A 43 19.507 8.319 -1.284 1.00 54.12 H new ATOM 675 N VAL A 44 20.794 12.760 0.429 1.00 12.04 N ATOM 676 CA VAL A 44 20.760 14.193 0.700 1.00 64.12 C ATOM 677 C VAL A 44 21.687 14.946 -0.257 1.00 44.32 C ATOM 678 O VAL A 44 21.397 16.075 -0.655 1.00 4.42 O ATOM 679 CB VAL A 44 21.115 14.524 2.171 1.00 64.34 C ATOM 680 CG1 VAL A 44 20.157 13.821 3.118 1.00 55.54 C ATOM 681 CG2 VAL A 44 22.551 14.154 2.498 1.00 41.02 C ATOM 0 H VAL A 44 21.206 12.193 1.170 1.00 12.04 H new ATOM 0 HA VAL A 44 19.735 14.524 0.534 1.00 64.12 H new ATOM 0 HB VAL A 44 21.014 15.602 2.301 1.00 64.34 H new ATOM 0 HG11 VAL A 44 20.420 14.064 4.148 1.00 55.54 H new ATOM 0 HG12 VAL A 44 19.138 14.151 2.916 1.00 55.54 H new ATOM 0 HG13 VAL A 44 20.225 12.743 2.971 1.00 55.54 H new ATOM 0 HG21 VAL A 44 22.763 14.401 3.538 1.00 41.02 H new ATOM 0 HG22 VAL A 44 22.696 13.085 2.342 1.00 41.02 H new ATOM 0 HG23 VAL A 44 23.227 14.710 1.848 1.00 41.02 H new ATOM 691 N LYS A 45 22.793 14.305 -0.635 1.00 40.31 N ATOM 692 CA LYS A 45 23.696 14.854 -1.641 1.00 12.13 C ATOM 693 C LYS A 45 22.967 15.034 -2.970 1.00 13.43 C ATOM 694 O LYS A 45 23.042 16.096 -3.592 1.00 15.20 O ATOM 695 CB LYS A 45 24.904 13.926 -1.824 1.00 61.33 C ATOM 696 CG LYS A 45 25.784 14.271 -3.015 1.00 2.02 C ATOM 697 CD LYS A 45 26.727 13.125 -3.355 1.00 33.13 C ATOM 698 CE LYS A 45 25.962 11.898 -3.840 1.00 75.13 C ATOM 699 NZ LYS A 45 26.867 10.772 -4.188 1.00 24.32 N ATOM 0 H LYS A 45 23.084 13.403 -0.257 1.00 40.31 H new ATOM 0 HA LYS A 45 24.045 15.829 -1.302 1.00 12.13 H new ATOM 0 HB2 LYS A 45 25.510 13.955 -0.919 1.00 61.33 H new ATOM 0 HB3 LYS A 45 24.547 12.902 -1.935 1.00 61.33 H new ATOM 0 HG2 LYS A 45 25.159 14.499 -3.878 1.00 2.02 H new ATOM 0 HG3 LYS A 45 26.363 15.168 -2.795 1.00 2.02 H new ATOM 0 HD2 LYS A 45 27.429 13.446 -4.125 1.00 33.13 H new ATOM 0 HD3 LYS A 45 27.316 12.864 -2.476 1.00 33.13 H new ATOM 0 HE2 LYS A 45 25.266 11.576 -3.065 1.00 75.13 H new ATOM 0 HE3 LYS A 45 25.366 12.165 -4.712 1.00 75.13 H new ATOM 0 HZ1 LYS A 45 26.450 10.219 -4.964 1.00 24.32 H new ATOM 0 HZ2 LYS A 45 27.789 11.148 -4.487 1.00 24.32 H new ATOM 0 HZ3 LYS A 45 26.996 10.160 -3.357 1.00 24.32 H new ATOM 713 N ALA A 46 22.254 13.992 -3.389 1.00 24.01 N ATOM 714 CA ALA A 46 21.514 14.024 -4.645 1.00 74.23 C ATOM 715 C ALA A 46 20.460 15.122 -4.629 1.00 34.34 C ATOM 716 O ALA A 46 20.428 15.969 -5.521 1.00 23.14 O ATOM 717 CB ALA A 46 20.867 12.674 -4.918 1.00 34.25 C ATOM 0 H ALA A 46 22.174 13.114 -2.876 1.00 24.01 H new ATOM 0 HA ALA A 46 22.220 14.241 -5.446 1.00 74.23 H new ATOM 0 HB1 ALA A 46 20.319 12.717 -5.859 1.00 34.25 H new ATOM 0 HB2 ALA A 46 21.639 11.907 -4.982 1.00 34.25 H new ATOM 0 HB3 ALA A 46 20.179 12.430 -4.109 1.00 34.25 H new ATOM 723 N VAL A 47 19.621 15.112 -3.595 1.00 63.11 N ATOM 724 CA VAL A 47 18.553 16.098 -3.457 1.00 5.15 C ATOM 725 C VAL A 47 19.094 17.521 -3.495 1.00 71.40 C ATOM 726 O VAL A 47 18.613 18.342 -4.265 1.00 3.44 O ATOM 727 CB VAL A 47 17.741 15.877 -2.159 1.00 52.11 C ATOM 728 CG1 VAL A 47 16.974 17.130 -1.761 1.00 2.14 C ATOM 729 CG2 VAL A 47 16.787 14.708 -2.332 1.00 1.32 C ATOM 0 H VAL A 47 19.661 14.429 -2.838 1.00 63.11 H new ATOM 0 HA VAL A 47 17.888 15.960 -4.309 1.00 5.15 H new ATOM 0 HB VAL A 47 18.444 15.650 -1.358 1.00 52.11 H new ATOM 0 HG11 VAL A 47 16.415 16.939 -0.845 1.00 2.14 H new ATOM 0 HG12 VAL A 47 17.675 17.948 -1.594 1.00 2.14 H new ATOM 0 HG13 VAL A 47 16.282 17.402 -2.558 1.00 2.14 H new ATOM 0 HG21 VAL A 47 16.221 14.561 -1.412 1.00 1.32 H new ATOM 0 HG22 VAL A 47 16.100 14.917 -3.152 1.00 1.32 H new ATOM 0 HG23 VAL A 47 17.355 13.805 -2.556 1.00 1.32 H new ATOM 739 N ALA A 48 20.103 17.808 -2.682 1.00 53.54 N ATOM 740 CA ALA A 48 20.668 19.152 -2.628 1.00 3.21 C ATOM 741 C ALA A 48 21.204 19.576 -3.993 1.00 22.54 C ATOM 742 O ALA A 48 20.995 20.710 -4.432 1.00 13.30 O ATOM 743 CB ALA A 48 21.767 19.224 -1.581 1.00 15.11 C ATOM 0 H ALA A 48 20.544 17.135 -2.055 1.00 53.54 H new ATOM 0 HA ALA A 48 19.872 19.842 -2.348 1.00 3.21 H new ATOM 0 HB1 ALA A 48 22.178 20.233 -1.554 1.00 15.11 H new ATOM 0 HB2 ALA A 48 21.355 18.973 -0.603 1.00 15.11 H new ATOM 0 HB3 ALA A 48 22.557 18.517 -1.834 1.00 15.11 H new ATOM 749 N ASN A 49 21.866 18.647 -4.670 1.00 73.23 N ATOM 750 CA ASN A 49 22.482 18.931 -5.959 1.00 11.34 C ATOM 751 C ASN A 49 21.426 19.253 -7.014 1.00 21.14 C ATOM 752 O ASN A 49 21.535 20.254 -7.723 1.00 34.35 O ATOM 753 CB ASN A 49 23.331 17.742 -6.417 1.00 24.22 C ATOM 754 CG ASN A 49 24.219 18.085 -7.599 1.00 72.24 C ATOM 755 OD1 ASN A 49 23.809 17.982 -8.754 1.00 13.43 O ATOM 756 ND2 ASN A 49 25.448 18.480 -7.317 1.00 34.41 N ATOM 0 H ASN A 49 21.990 17.688 -4.347 1.00 73.23 H new ATOM 0 HA ASN A 49 23.124 19.803 -5.839 1.00 11.34 H new ATOM 0 HB2 ASN A 49 23.951 17.401 -5.588 1.00 24.22 H new ATOM 0 HB3 ASN A 49 22.676 16.914 -6.687 1.00 24.22 H new ATOM 0 HD21 ASN A 49 26.095 18.712 -8.071 1.00 34.41 H new ATOM 0 HD22 ASN A 49 25.750 18.553 -6.345 1.00 34.41 H new ATOM 763 N GLU A 50 20.397 18.415 -7.110 1.00 63.12 N ATOM 764 CA GLU A 50 19.352 18.625 -8.103 1.00 22.12 C ATOM 765 C GLU A 50 18.443 19.780 -7.694 1.00 22.40 C ATOM 766 O GLU A 50 17.900 20.482 -8.547 1.00 61.11 O ATOM 767 CB GLU A 50 18.535 17.350 -8.334 1.00 3.54 C ATOM 768 CG GLU A 50 17.746 16.881 -7.124 1.00 54.34 C ATOM 769 CD GLU A 50 16.970 15.612 -7.406 1.00 12.15 C ATOM 770 OE1 GLU A 50 17.587 14.522 -7.439 1.00 13.25 O ATOM 771 OE2 GLU A 50 15.741 15.700 -7.613 1.00 72.03 O ATOM 0 H GLU A 50 20.266 17.594 -6.519 1.00 63.12 H new ATOM 0 HA GLU A 50 19.837 18.884 -9.044 1.00 22.12 H new ATOM 0 HB2 GLU A 50 17.844 17.521 -9.159 1.00 3.54 H new ATOM 0 HB3 GLU A 50 19.210 16.552 -8.644 1.00 3.54 H new ATOM 0 HG2 GLU A 50 18.428 16.711 -6.291 1.00 54.34 H new ATOM 0 HG3 GLU A 50 17.056 17.666 -6.815 1.00 54.34 H new ATOM 778 N LEU A 51 18.294 19.988 -6.391 1.00 72.23 N ATOM 779 CA LEU A 51 17.521 21.112 -5.884 1.00 55.41 C ATOM 780 C LEU A 51 18.169 22.420 -6.319 1.00 24.41 C ATOM 781 O LEU A 51 17.483 23.365 -6.709 1.00 62.31 O ATOM 782 CB LEU A 51 17.406 21.048 -4.356 1.00 14.10 C ATOM 783 CG LEU A 51 16.569 22.158 -3.710 1.00 34.30 C ATOM 784 CD1 LEU A 51 15.148 22.150 -4.255 1.00 63.41 C ATOM 785 CD2 LEU A 51 16.554 21.998 -2.197 1.00 30.24 C ATOM 0 H LEU A 51 18.698 19.393 -5.668 1.00 72.23 H new ATOM 0 HA LEU A 51 16.514 21.061 -6.298 1.00 55.41 H new ATOM 0 HB2 LEU A 51 16.975 20.085 -4.082 1.00 14.10 H new ATOM 0 HB3 LEU A 51 18.410 21.080 -3.932 1.00 14.10 H new ATOM 0 HG LEU A 51 17.026 23.116 -3.957 1.00 34.30 H new ATOM 0 HD11 LEU A 51 14.573 22.946 -3.782 1.00 63.41 H new ATOM 0 HD12 LEU A 51 15.171 22.310 -5.333 1.00 63.41 H new ATOM 0 HD13 LEU A 51 14.681 21.189 -4.041 1.00 63.41 H new ATOM 0 HD21 LEU A 51 15.956 22.794 -1.753 1.00 30.24 H new ATOM 0 HD22 LEU A 51 16.122 21.031 -1.938 1.00 30.24 H new ATOM 0 HD23 LEU A 51 17.573 22.054 -1.815 1.00 30.24 H new ATOM 797 N MET A 52 19.498 22.465 -6.264 1.00 34.31 N ATOM 798 CA MET A 52 20.245 23.606 -6.786 1.00 22.22 C ATOM 799 C MET A 52 20.087 23.706 -8.301 1.00 41.23 C ATOM 800 O MET A 52 19.947 24.798 -8.852 1.00 64.42 O ATOM 801 CB MET A 52 21.737 23.487 -6.463 1.00 43.15 C ATOM 802 CG MET A 52 22.106 23.778 -5.018 1.00 23.10 C ATOM 803 SD MET A 52 23.889 23.757 -4.764 1.00 2.50 S ATOM 804 CE MET A 52 23.998 24.430 -3.111 1.00 45.22 C ATOM 0 H MET A 52 20.078 21.727 -5.865 1.00 34.31 H new ATOM 0 HA MET A 52 19.841 24.499 -6.309 1.00 22.22 H new ATOM 0 HB2 MET A 52 22.068 22.478 -6.711 1.00 43.15 H new ATOM 0 HB3 MET A 52 22.289 24.171 -7.108 1.00 43.15 H new ATOM 0 HG2 MET A 52 21.710 24.752 -4.731 1.00 23.10 H new ATOM 0 HG3 MET A 52 21.638 23.039 -4.368 1.00 23.10 H new ATOM 0 HE1 MET A 52 24.919 24.089 -2.639 1.00 45.22 H new ATOM 0 HE2 MET A 52 23.997 25.519 -3.161 1.00 45.22 H new ATOM 0 HE3 MET A 52 23.144 24.093 -2.524 1.00 45.22 H new ATOM 814 N ARG A 53 20.115 22.554 -8.960 1.00 0.12 N ATOM 815 CA ARG A 53 20.112 22.491 -10.420 1.00 31.34 C ATOM 816 C ARG A 53 18.778 22.955 -11.005 1.00 53.14 C ATOM 817 O ARG A 53 18.745 23.819 -11.879 1.00 11.32 O ATOM 818 CB ARG A 53 20.401 21.060 -10.880 1.00 43.45 C ATOM 819 CG ARG A 53 20.726 20.938 -12.362 1.00 71.50 C ATOM 820 CD ARG A 53 20.867 19.482 -12.778 1.00 51.30 C ATOM 821 NE ARG A 53 21.750 18.738 -11.879 1.00 54.25 N ATOM 822 CZ ARG A 53 21.696 17.415 -11.705 1.00 53.43 C ATOM 823 NH1 ARG A 53 20.886 16.669 -12.444 1.00 52.52 N ATOM 824 NH2 ARG A 53 22.473 16.831 -10.803 1.00 40.44 N ATOM 0 H ARG A 53 20.140 21.642 -8.503 1.00 0.12 H new ATOM 0 HA ARG A 53 20.891 23.163 -10.781 1.00 31.34 H new ATOM 0 HB2 ARG A 53 21.237 20.666 -10.302 1.00 43.45 H new ATOM 0 HB3 ARG A 53 19.536 20.436 -10.656 1.00 43.45 H new ATOM 0 HG2 ARG A 53 19.939 21.412 -12.949 1.00 71.50 H new ATOM 0 HG3 ARG A 53 21.651 21.472 -12.579 1.00 71.50 H new ATOM 0 HD2 ARG A 53 19.884 19.012 -12.791 1.00 51.30 H new ATOM 0 HD3 ARG A 53 21.258 19.432 -13.794 1.00 51.30 H new ATOM 0 HE ARG A 53 22.450 19.262 -11.353 1.00 54.25 H new ATOM 0 HH11 ARG A 53 20.297 17.105 -13.153 1.00 52.52 H new ATOM 0 HH12 ARG A 53 20.852 15.659 -12.303 1.00 52.52 H new ATOM 0 HH21 ARG A 53 23.113 17.392 -10.241 1.00 40.44 H new ATOM 0 HH22 ARG A 53 22.431 15.820 -10.671 1.00 40.44 H new ATOM 838 N LEU A 54 17.686 22.379 -10.524 1.00 71.25 N ATOM 839 CA LEU A 54 16.367 22.667 -11.083 1.00 62.34 C ATOM 840 C LEU A 54 15.718 23.869 -10.407 1.00 22.45 C ATOM 841 O LEU A 54 14.982 24.623 -11.044 1.00 5.15 O ATOM 842 CB LEU A 54 15.443 21.445 -10.966 1.00 64.53 C ATOM 843 CG LEU A 54 15.730 20.292 -11.940 1.00 41.12 C ATOM 844 CD1 LEU A 54 15.855 20.809 -13.363 1.00 41.11 C ATOM 845 CD2 LEU A 54 16.982 19.526 -11.540 1.00 13.34 C ATOM 0 H LEU A 54 17.683 21.712 -9.752 1.00 71.25 H new ATOM 0 HA LEU A 54 16.512 22.905 -12.137 1.00 62.34 H new ATOM 0 HB2 LEU A 54 15.508 21.060 -9.948 1.00 64.53 H new ATOM 0 HB3 LEU A 54 14.415 21.775 -11.117 1.00 64.53 H new ATOM 0 HG LEU A 54 14.887 19.603 -11.893 1.00 41.12 H new ATOM 0 HD11 LEU A 54 16.058 19.976 -14.036 1.00 41.11 H new ATOM 0 HD12 LEU A 54 14.924 21.294 -13.657 1.00 41.11 H new ATOM 0 HD13 LEU A 54 16.672 21.528 -13.418 1.00 41.11 H new ATOM 0 HD21 LEU A 54 17.156 18.717 -12.250 1.00 13.34 H new ATOM 0 HD22 LEU A 54 17.838 20.201 -11.542 1.00 13.34 H new ATOM 0 HD23 LEU A 54 16.850 19.110 -10.541 1.00 13.34 H new ATOM 857 N GLY A 55 15.996 24.056 -9.128 1.00 41.21 N ATOM 858 CA GLY A 55 15.402 25.158 -8.399 1.00 63.30 C ATOM 859 C GLY A 55 16.411 26.237 -8.080 1.00 62.12 C ATOM 860 O GLY A 55 17.301 26.526 -8.886 1.00 34.14 O ATOM 0 H GLY A 55 16.622 23.466 -8.580 1.00 41.21 H new ATOM 0 HA2 GLY A 55 14.589 25.585 -8.986 1.00 63.30 H new ATOM 0 HA3 GLY A 55 14.965 24.786 -7.473 1.00 63.30 H new ATOM 864 N ASP A 56 16.277 26.842 -6.910 1.00 0.02 N ATOM 865 CA ASP A 56 17.225 27.851 -6.463 1.00 15.42 C ATOM 866 C ASP A 56 17.708 27.552 -5.057 1.00 64.31 C ATOM 867 O ASP A 56 16.961 27.041 -4.218 1.00 71.51 O ATOM 868 CB ASP A 56 16.630 29.257 -6.536 1.00 73.02 C ATOM 869 CG ASP A 56 16.984 29.954 -7.834 1.00 5.42 C ATOM 870 OD1 ASP A 56 18.162 30.338 -8.003 1.00 72.25 O ATOM 871 OD2 ASP A 56 16.094 30.120 -8.696 1.00 0.31 O ATOM 0 H ASP A 56 15.521 26.652 -6.252 1.00 0.02 H new ATOM 0 HA ASP A 56 18.079 27.817 -7.139 1.00 15.42 H new ATOM 0 HB2 ASP A 56 15.546 29.198 -6.440 1.00 73.02 H new ATOM 0 HB3 ASP A 56 16.993 29.849 -5.696 1.00 73.02 H new ATOM 876 N PHE A 57 18.963 27.881 -4.820 1.00 41.20 N ATOM 877 CA PHE A 57 19.648 27.559 -3.583 1.00 0.01 C ATOM 878 C PHE A 57 20.857 28.479 -3.491 1.00 54.22 C ATOM 879 O PHE A 57 21.328 28.962 -4.524 1.00 53.24 O ATOM 880 CB PHE A 57 20.091 26.089 -3.638 1.00 1.34 C ATOM 881 CG PHE A 57 20.309 25.403 -2.310 1.00 74.43 C ATOM 882 CD1 PHE A 57 21.261 25.854 -1.412 1.00 34.42 C ATOM 883 CD2 PHE A 57 19.571 24.277 -1.980 1.00 53.03 C ATOM 884 CE1 PHE A 57 21.476 25.199 -0.214 1.00 53.11 C ATOM 885 CE2 PHE A 57 19.779 23.618 -0.783 1.00 74.50 C ATOM 886 CZ PHE A 57 20.731 24.081 0.102 1.00 15.54 C ATOM 0 H PHE A 57 19.543 28.386 -5.490 1.00 41.20 H new ATOM 0 HA PHE A 57 19.007 27.696 -2.712 1.00 0.01 H new ATOM 0 HB2 PHE A 57 19.341 25.527 -4.194 1.00 1.34 H new ATOM 0 HB3 PHE A 57 21.018 26.033 -4.208 1.00 1.34 H new ATOM 0 HD1 PHE A 57 21.845 26.731 -1.651 1.00 34.42 H new ATOM 0 HD2 PHE A 57 18.823 23.910 -2.667 1.00 53.03 H new ATOM 0 HE1 PHE A 57 22.226 25.561 0.474 1.00 53.11 H new ATOM 0 HE2 PHE A 57 19.197 22.741 -0.541 1.00 74.50 H new ATOM 0 HZ PHE A 57 20.893 23.570 1.040 1.00 15.54 H new ATOM 896 N ASP A 58 21.349 28.752 -2.293 1.00 55.52 N ATOM 897 CA ASP A 58 22.550 29.564 -2.164 1.00 42.31 C ATOM 898 C ASP A 58 23.722 28.821 -2.791 1.00 31.30 C ATOM 899 O ASP A 58 23.914 27.632 -2.535 1.00 23.35 O ATOM 900 CB ASP A 58 22.847 29.892 -0.703 1.00 72.43 C ATOM 901 CG ASP A 58 23.845 31.019 -0.568 1.00 71.31 C ATOM 902 OD1 ASP A 58 23.419 32.194 -0.595 1.00 11.45 O ATOM 903 OD2 ASP A 58 25.051 30.745 -0.444 1.00 3.53 O ATOM 0 H ASP A 58 20.946 28.431 -1.412 1.00 55.52 H new ATOM 0 HA ASP A 58 22.392 30.509 -2.683 1.00 42.31 H new ATOM 0 HB2 ASP A 58 21.921 30.165 -0.197 1.00 72.43 H new ATOM 0 HB3 ASP A 58 23.233 29.004 -0.203 1.00 72.43 H new ATOM 908 N GLN A 59 24.487 29.511 -3.624 1.00 65.13 N ATOM 909 CA GLN A 59 25.521 28.862 -4.418 1.00 61.52 C ATOM 910 C GLN A 59 26.755 28.531 -3.584 1.00 42.02 C ATOM 911 O GLN A 59 27.729 29.285 -3.549 1.00 22.20 O ATOM 912 CB GLN A 59 25.892 29.731 -5.618 1.00 52.04 C ATOM 913 CG GLN A 59 24.748 29.910 -6.602 1.00 33.10 C ATOM 914 CD GLN A 59 24.289 28.595 -7.203 1.00 42.12 C ATOM 915 OE1 GLN A 59 25.080 27.669 -7.380 1.00 43.20 O ATOM 916 NE2 GLN A 59 23.005 28.498 -7.511 1.00 63.24 N ATOM 0 H GLN A 59 24.412 30.518 -3.768 1.00 65.13 H new ATOM 0 HA GLN A 59 25.116 27.917 -4.781 1.00 61.52 H new ATOM 0 HB2 GLN A 59 26.215 30.710 -5.264 1.00 52.04 H new ATOM 0 HB3 GLN A 59 26.741 29.283 -6.135 1.00 52.04 H new ATOM 0 HG2 GLN A 59 23.909 30.387 -6.096 1.00 33.10 H new ATOM 0 HG3 GLN A 59 25.062 30.581 -7.401 1.00 33.10 H new ATOM 0 HE21 GLN A 59 22.381 29.288 -7.349 1.00 63.24 H new ATOM 0 HE22 GLN A 59 22.640 27.633 -7.910 1.00 63.24 H new ATOM 925 N ILE A 60 26.684 27.397 -2.906 1.00 73.33 N ATOM 926 CA ILE A 60 27.779 26.891 -2.091 1.00 52.00 C ATOM 927 C ILE A 60 28.204 25.515 -2.588 1.00 62.32 C ATOM 928 O ILE A 60 27.721 25.049 -3.621 1.00 61.30 O ATOM 929 CB ILE A 60 27.362 26.781 -0.610 1.00 22.03 C ATOM 930 CG1 ILE A 60 26.074 25.960 -0.487 1.00 74.12 C ATOM 931 CG2 ILE A 60 27.190 28.165 -0.001 1.00 12.40 C ATOM 932 CD1 ILE A 60 25.629 25.720 0.938 1.00 34.21 C ATOM 0 H ILE A 60 25.859 26.797 -2.905 1.00 73.33 H new ATOM 0 HA ILE A 60 28.610 27.592 -2.174 1.00 52.00 H new ATOM 0 HB ILE A 60 28.149 26.268 -0.057 1.00 22.03 H new ATOM 0 HG12 ILE A 60 25.276 26.473 -1.024 1.00 74.12 H new ATOM 0 HG13 ILE A 60 26.221 24.998 -0.977 1.00 74.12 H new ATOM 0 HG21 ILE A 60 26.896 28.069 1.044 1.00 12.40 H new ATOM 0 HG22 ILE A 60 28.132 28.710 -0.064 1.00 12.40 H new ATOM 0 HG23 ILE A 60 26.419 28.709 -0.546 1.00 12.40 H new ATOM 0 HD11 ILE A 60 24.711 25.132 0.938 1.00 34.21 H new ATOM 0 HD12 ILE A 60 26.407 25.178 1.476 1.00 34.21 H new ATOM 0 HD13 ILE A 60 25.448 26.676 1.428 1.00 34.21 H new ATOM 944 N ASP A 61 29.099 24.863 -1.859 1.00 74.15 N ATOM 945 CA ASP A 61 29.498 23.506 -2.202 1.00 11.11 C ATOM 946 C ASP A 61 28.840 22.510 -1.261 1.00 32.54 C ATOM 947 O ASP A 61 28.967 22.614 -0.039 1.00 44.33 O ATOM 948 CB ASP A 61 31.017 23.336 -2.157 1.00 43.43 C ATOM 949 CG ASP A 61 31.435 21.926 -2.526 1.00 44.22 C ATOM 950 OD1 ASP A 61 31.534 21.623 -3.733 1.00 51.15 O ATOM 951 OD2 ASP A 61 31.652 21.105 -1.618 1.00 63.43 O ATOM 0 H ASP A 61 29.559 25.248 -1.034 1.00 74.15 H new ATOM 0 HA ASP A 61 29.167 23.314 -3.223 1.00 11.11 H new ATOM 0 HB2 ASP A 61 31.483 24.045 -2.842 1.00 43.43 H new ATOM 0 HB3 ASP A 61 31.380 23.573 -1.157 1.00 43.43 H new ATOM 956 N ILE A 62 28.136 21.551 -1.841 1.00 1.14 N ATOM 957 CA ILE A 62 27.399 20.561 -1.070 1.00 44.54 C ATOM 958 C ILE A 62 28.340 19.600 -0.347 1.00 35.03 C ATOM 959 O ILE A 62 28.095 19.236 0.802 1.00 21.22 O ATOM 960 CB ILE A 62 26.419 19.772 -1.972 1.00 53.15 C ATOM 961 CG1 ILE A 62 25.350 20.716 -2.530 1.00 34.35 C ATOM 962 CG2 ILE A 62 25.769 18.625 -1.211 1.00 21.32 C ATOM 963 CD1 ILE A 62 24.581 21.456 -1.454 1.00 32.22 C ATOM 0 H ILE A 62 28.059 21.437 -2.852 1.00 1.14 H new ATOM 0 HA ILE A 62 26.823 21.101 -0.318 1.00 44.54 H new ATOM 0 HB ILE A 62 26.985 19.343 -2.799 1.00 53.15 H new ATOM 0 HG12 ILE A 62 25.825 21.441 -3.191 1.00 34.35 H new ATOM 0 HG13 ILE A 62 24.650 20.142 -3.137 1.00 34.35 H new ATOM 0 HG21 ILE A 62 25.086 18.091 -1.872 1.00 21.32 H new ATOM 0 HG22 ILE A 62 26.540 17.941 -0.855 1.00 21.32 H new ATOM 0 HG23 ILE A 62 25.215 19.021 -0.360 1.00 21.32 H new ATOM 0 HD11 ILE A 62 23.840 22.107 -1.919 1.00 32.22 H new ATOM 0 HD12 ILE A 62 24.078 20.737 -0.807 1.00 32.22 H new ATOM 0 HD13 ILE A 62 25.271 22.057 -0.861 1.00 32.22 H new ATOM 975 N GLY A 63 29.427 19.220 -1.010 1.00 31.43 N ATOM 976 CA GLY A 63 30.368 18.275 -0.429 1.00 52.11 C ATOM 977 C GLY A 63 30.944 18.770 0.884 1.00 31.22 C ATOM 978 O GLY A 63 30.951 18.038 1.882 1.00 14.54 O ATOM 0 H GLY A 63 29.675 19.550 -1.943 1.00 31.43 H new ATOM 0 HA2 GLY A 63 29.867 17.320 -0.267 1.00 52.11 H new ATOM 0 HA3 GLY A 63 31.179 18.094 -1.134 1.00 52.11 H new ATOM 982 N VAL A 64 31.402 20.014 0.886 1.00 13.42 N ATOM 983 CA VAL A 64 31.960 20.641 2.081 1.00 34.32 C ATOM 984 C VAL A 64 30.928 20.687 3.211 1.00 53.31 C ATOM 985 O VAL A 64 31.272 20.540 4.380 1.00 3.43 O ATOM 986 CB VAL A 64 32.467 22.074 1.788 1.00 54.13 C ATOM 987 CG1 VAL A 64 33.016 22.734 3.050 1.00 30.14 C ATOM 988 CG2 VAL A 64 33.529 22.056 0.701 1.00 21.11 C ATOM 0 H VAL A 64 31.398 20.617 0.063 1.00 13.42 H new ATOM 0 HA VAL A 64 32.806 20.030 2.394 1.00 34.32 H new ATOM 0 HB VAL A 64 31.618 22.661 1.438 1.00 54.13 H new ATOM 0 HG11 VAL A 64 33.364 23.739 2.813 1.00 30.14 H new ATOM 0 HG12 VAL A 64 32.229 22.791 3.803 1.00 30.14 H new ATOM 0 HG13 VAL A 64 33.847 22.144 3.437 1.00 30.14 H new ATOM 0 HG21 VAL A 64 33.872 23.073 0.510 1.00 21.11 H new ATOM 0 HG22 VAL A 64 34.371 21.444 1.025 1.00 21.11 H new ATOM 0 HG23 VAL A 64 33.107 21.638 -0.213 1.00 21.11 H new ATOM 998 N VAL A 65 29.666 20.882 2.858 1.00 25.53 N ATOM 999 CA VAL A 65 28.611 21.000 3.857 1.00 41.35 C ATOM 1000 C VAL A 65 28.207 19.638 4.420 1.00 15.00 C ATOM 1001 O VAL A 65 28.244 19.423 5.631 1.00 61.02 O ATOM 1002 CB VAL A 65 27.362 21.701 3.274 1.00 41.42 C ATOM 1003 CG1 VAL A 65 26.201 21.674 4.261 1.00 52.00 C ATOM 1004 CG2 VAL A 65 27.687 23.134 2.887 1.00 63.33 C ATOM 0 H VAL A 65 29.347 20.962 1.892 1.00 25.53 H new ATOM 0 HA VAL A 65 29.018 21.606 4.667 1.00 41.35 H new ATOM 0 HB VAL A 65 27.061 21.153 2.381 1.00 41.42 H new ATOM 0 HG11 VAL A 65 25.338 22.175 3.822 1.00 52.00 H new ATOM 0 HG12 VAL A 65 25.943 20.640 4.491 1.00 52.00 H new ATOM 0 HG13 VAL A 65 26.491 22.188 5.178 1.00 52.00 H new ATOM 0 HG21 VAL A 65 26.796 23.612 2.479 1.00 63.33 H new ATOM 0 HG22 VAL A 65 28.021 23.682 3.768 1.00 63.33 H new ATOM 0 HG23 VAL A 65 28.477 23.138 2.136 1.00 63.33 H new ATOM 1014 N ILE A 66 27.837 18.713 3.542 1.00 60.32 N ATOM 1015 CA ILE A 66 27.234 17.458 3.982 1.00 21.23 C ATOM 1016 C ILE A 66 28.260 16.435 4.464 1.00 32.33 C ATOM 1017 O ILE A 66 28.076 15.816 5.506 1.00 44.40 O ATOM 1018 CB ILE A 66 26.346 16.820 2.889 1.00 4.44 C ATOM 1019 CG1 ILE A 66 27.175 16.449 1.656 1.00 1.10 C ATOM 1020 CG2 ILE A 66 25.215 17.769 2.506 1.00 30.33 C ATOM 1021 CD1 ILE A 66 26.423 15.613 0.652 1.00 22.24 C ATOM 0 H ILE A 66 27.942 18.805 2.532 1.00 60.32 H new ATOM 0 HA ILE A 66 26.608 17.732 4.831 1.00 21.23 H new ATOM 0 HB ILE A 66 25.914 15.904 3.293 1.00 4.44 H new ATOM 0 HG12 ILE A 66 27.518 17.363 1.171 1.00 1.10 H new ATOM 0 HG13 ILE A 66 28.064 15.905 1.976 1.00 1.10 H new ATOM 0 HG21 ILE A 66 24.598 17.307 1.736 1.00 30.33 H new ATOM 0 HG22 ILE A 66 24.603 17.979 3.383 1.00 30.33 H new ATOM 0 HG23 ILE A 66 25.635 18.700 2.125 1.00 30.33 H new ATOM 0 HD11 ILE A 66 27.073 15.389 -0.194 1.00 22.24 H new ATOM 0 HD12 ILE A 66 26.103 14.682 1.120 1.00 22.24 H new ATOM 0 HD13 ILE A 66 25.549 16.163 0.303 1.00 22.24 H new ATOM 1033 N THR A 67 29.340 16.253 3.718 1.00 14.14 N ATOM 1034 CA THR A 67 30.270 15.178 4.025 1.00 50.13 C ATOM 1035 C THR A 67 31.455 15.682 4.840 1.00 71.42 C ATOM 1036 O THR A 67 32.381 14.931 5.142 1.00 32.31 O ATOM 1037 CB THR A 67 30.757 14.464 2.746 1.00 41.24 C ATOM 1038 OG1 THR A 67 31.382 15.392 1.845 1.00 22.32 O ATOM 1039 CG2 THR A 67 29.593 13.774 2.039 1.00 74.34 C ATOM 0 H THR A 67 29.591 16.824 2.911 1.00 14.14 H new ATOM 0 HA THR A 67 29.727 14.451 4.629 1.00 50.13 H new ATOM 0 HB THR A 67 31.490 13.715 3.045 1.00 41.24 H new ATOM 0 HG1 THR A 67 31.284 16.303 2.193 1.00 22.32 H new ATOM 0 HG21 THR A 67 29.957 13.277 1.140 1.00 74.34 H new ATOM 0 HG22 THR A 67 29.147 13.037 2.707 1.00 74.34 H new ATOM 0 HG23 THR A 67 28.843 14.516 1.765 1.00 74.34 H new ATOM 1047 N HIS A 68 31.409 16.951 5.214 1.00 62.10 N ATOM 1048 CA HIS A 68 32.444 17.533 6.053 1.00 75.44 C ATOM 1049 C HIS A 68 31.794 18.206 7.260 1.00 63.13 C ATOM 1050 O HIS A 68 31.827 19.428 7.403 1.00 34.35 O ATOM 1051 CB HIS A 68 33.293 18.533 5.251 1.00 73.14 C ATOM 1052 CG HIS A 68 34.564 18.970 5.929 1.00 52.01 C ATOM 1053 ND1 HIS A 68 35.790 18.967 5.297 1.00 65.54 N ATOM 1054 CD2 HIS A 68 34.795 19.443 7.178 1.00 52.12 C ATOM 1055 CE1 HIS A 68 36.714 19.417 6.125 1.00 12.54 C ATOM 1056 NE2 HIS A 68 36.136 19.712 7.272 1.00 54.52 N ATOM 0 H HIS A 68 30.666 17.598 4.950 1.00 62.10 H new ATOM 0 HA HIS A 68 33.111 16.746 6.404 1.00 75.44 H new ATOM 0 HB2 HIS A 68 33.546 18.084 4.290 1.00 73.14 H new ATOM 0 HB3 HIS A 68 32.688 19.415 5.041 1.00 73.14 H new ATOM 0 HD2 HIS A 68 34.059 19.582 7.956 1.00 52.12 H new ATOM 0 HE1 HIS A 68 37.765 19.525 5.901 1.00 12.54 H new ATOM 0 HE2 HIS A 68 36.610 20.081 8.097 1.00 54.52 H new ATOM 1065 N PHE A 69 31.161 17.391 8.097 1.00 30.31 N ATOM 1066 CA PHE A 69 30.561 17.869 9.340 1.00 22.22 C ATOM 1067 C PHE A 69 31.581 18.619 10.188 1.00 3.34 C ATOM 1068 O PHE A 69 32.777 18.320 10.161 1.00 14.12 O ATOM 1069 CB PHE A 69 29.996 16.702 10.156 1.00 5.11 C ATOM 1070 CG PHE A 69 28.791 16.041 9.546 1.00 12.44 C ATOM 1071 CD1 PHE A 69 27.524 16.566 9.747 1.00 75.14 C ATOM 1072 CD2 PHE A 69 28.921 14.889 8.787 1.00 70.53 C ATOM 1073 CE1 PHE A 69 26.411 15.958 9.199 1.00 11.41 C ATOM 1074 CE2 PHE A 69 27.811 14.276 8.238 1.00 1.20 C ATOM 1075 CZ PHE A 69 26.555 14.811 8.444 1.00 61.22 C ATOM 0 H PHE A 69 31.049 16.390 7.937 1.00 30.31 H new ATOM 0 HA PHE A 69 29.752 18.548 9.069 1.00 22.22 H new ATOM 0 HB2 PHE A 69 30.778 15.954 10.286 1.00 5.11 H new ATOM 0 HB3 PHE A 69 29.732 17.064 11.150 1.00 5.11 H new ATOM 0 HD1 PHE A 69 27.405 17.461 10.339 1.00 75.14 H new ATOM 0 HD2 PHE A 69 29.901 14.466 8.623 1.00 70.53 H new ATOM 0 HE1 PHE A 69 25.430 16.379 9.361 1.00 11.41 H new ATOM 0 HE2 PHE A 69 27.926 13.379 7.648 1.00 1.20 H new ATOM 0 HZ PHE A 69 25.687 14.333 8.015 1.00 61.22 H new ATOM 1085 N THR A 70 31.099 19.593 10.936 1.00 73.34 N ATOM 1086 CA THR A 70 31.948 20.370 11.816 1.00 1.43 C ATOM 1087 C THR A 70 31.399 20.294 13.244 1.00 12.24 C ATOM 1088 O THR A 70 30.246 19.924 13.442 1.00 70.15 O ATOM 1089 CB THR A 70 32.026 21.836 11.331 1.00 44.13 C ATOM 1090 OG1 THR A 70 32.275 21.859 9.917 1.00 53.25 O ATOM 1091 CG2 THR A 70 33.133 22.604 12.041 1.00 54.12 C ATOM 0 H THR A 70 30.116 19.866 10.951 1.00 73.34 H new ATOM 0 HA THR A 70 32.958 19.961 11.803 1.00 1.43 H new ATOM 0 HB THR A 70 31.074 22.315 11.560 1.00 44.13 H new ATOM 0 HG1 THR A 70 32.323 22.788 9.608 1.00 53.25 H new ATOM 0 HG21 THR A 70 33.157 23.630 11.674 1.00 54.12 H new ATOM 0 HG22 THR A 70 32.943 22.607 13.114 1.00 54.12 H new ATOM 0 HG23 THR A 70 34.092 22.125 11.844 1.00 54.12 H new ATOM 1099 N ASP A 71 32.220 20.621 14.231 1.00 4.40 N ATOM 1100 CA ASP A 71 31.799 20.530 15.628 1.00 51.42 C ATOM 1101 C ASP A 71 30.886 21.689 16.006 1.00 70.43 C ATOM 1102 O ASP A 71 30.182 21.633 17.016 1.00 25.34 O ATOM 1103 CB ASP A 71 33.014 20.499 16.561 1.00 3.12 C ATOM 1104 CG ASP A 71 33.812 19.218 16.433 1.00 32.33 C ATOM 1105 OD1 ASP A 71 33.512 18.248 17.160 1.00 43.24 O ATOM 1106 OD2 ASP A 71 34.749 19.172 15.608 1.00 55.22 O ATOM 0 H ASP A 71 33.176 20.950 14.096 1.00 4.40 H new ATOM 0 HA ASP A 71 31.242 19.600 15.742 1.00 51.42 H new ATOM 0 HB2 ASP A 71 33.660 21.349 16.340 1.00 3.12 H new ATOM 0 HB3 ASP A 71 32.679 20.613 17.592 1.00 3.12 H new ATOM 1111 N GLU A 72 30.907 22.741 15.200 1.00 53.51 N ATOM 1112 CA GLU A 72 30.076 23.912 15.450 1.00 25.43 C ATOM 1113 C GLU A 72 28.875 23.944 14.504 1.00 33.41 C ATOM 1114 O GLU A 72 27.805 24.445 14.854 1.00 73.40 O ATOM 1115 CB GLU A 72 30.910 25.183 15.282 1.00 22.45 C ATOM 1116 CG GLU A 72 30.224 26.444 15.781 1.00 12.13 C ATOM 1117 CD GLU A 72 29.910 26.394 17.264 1.00 21.13 C ATOM 1118 OE1 GLU A 72 30.515 25.572 17.983 1.00 34.31 O ATOM 1119 OE2 GLU A 72 29.059 27.184 17.717 1.00 21.12 O ATOM 0 H GLU A 72 31.491 22.808 14.366 1.00 53.51 H new ATOM 0 HA GLU A 72 29.701 23.857 16.472 1.00 25.43 H new ATOM 0 HB2 GLU A 72 31.853 25.060 15.815 1.00 22.45 H new ATOM 0 HB3 GLU A 72 31.154 25.308 14.227 1.00 22.45 H new ATOM 0 HG2 GLU A 72 30.862 27.304 15.578 1.00 12.13 H new ATOM 0 HG3 GLU A 72 29.300 26.594 15.223 1.00 12.13 H new ATOM 1126 N LEU A 73 29.058 23.405 13.307 1.00 73.25 N ATOM 1127 CA LEU A 73 27.997 23.379 12.308 1.00 13.42 C ATOM 1128 C LEU A 73 27.585 21.946 12.008 1.00 3.21 C ATOM 1129 O LEU A 73 28.436 21.097 11.745 1.00 21.12 O ATOM 1130 CB LEU A 73 28.449 24.070 11.018 1.00 45.25 C ATOM 1131 CG LEU A 73 28.637 25.584 11.117 1.00 34.40 C ATOM 1132 CD1 LEU A 73 29.157 26.144 9.803 1.00 1.43 C ATOM 1133 CD2 LEU A 73 27.328 26.259 11.492 1.00 14.24 C ATOM 0 H LEU A 73 29.933 22.979 13.003 1.00 73.25 H new ATOM 0 HA LEU A 73 27.140 23.918 12.711 1.00 13.42 H new ATOM 0 HB2 LEU A 73 29.391 23.624 10.698 1.00 45.25 H new ATOM 0 HB3 LEU A 73 27.716 23.862 10.238 1.00 45.25 H new ATOM 0 HG LEU A 73 29.371 25.787 11.897 1.00 34.40 H new ATOM 0 HD11 LEU A 73 29.285 27.223 9.892 1.00 1.43 H new ATOM 0 HD12 LEU A 73 30.116 25.684 9.565 1.00 1.43 H new ATOM 0 HD13 LEU A 73 28.444 25.928 9.008 1.00 1.43 H new ATOM 0 HD21 LEU A 73 27.480 27.336 11.558 1.00 14.24 H new ATOM 0 HD22 LEU A 73 26.577 26.045 10.732 1.00 14.24 H new ATOM 0 HD23 LEU A 73 26.987 25.881 12.456 1.00 14.24 H new ATOM 1145 N PRO A 74 26.274 21.662 12.001 1.00 15.30 N ATOM 1146 CA PRO A 74 25.229 22.667 12.192 1.00 74.21 C ATOM 1147 C PRO A 74 24.947 22.980 13.661 1.00 3.21 C ATOM 1148 O PRO A 74 24.981 22.097 14.518 1.00 20.44 O ATOM 1149 CB PRO A 74 24.013 22.017 11.540 1.00 52.45 C ATOM 1150 CG PRO A 74 24.225 20.546 11.692 1.00 33.51 C ATOM 1151 CD PRO A 74 25.711 20.316 11.808 1.00 1.34 C ATOM 0 HA PRO A 74 25.512 23.629 11.765 1.00 74.21 H new ATOM 0 HB2 PRO A 74 23.090 22.334 12.025 1.00 52.45 H new ATOM 0 HB3 PRO A 74 23.933 22.297 10.490 1.00 52.45 H new ATOM 0 HG2 PRO A 74 23.708 20.173 12.576 1.00 33.51 H new ATOM 0 HG3 PRO A 74 23.819 20.009 10.835 1.00 33.51 H new ATOM 0 HD2 PRO A 74 25.948 19.662 12.647 1.00 1.34 H new ATOM 0 HD3 PRO A 74 26.111 19.842 10.912 1.00 1.34 H new ATOM 1159 N SER A 75 24.662 24.244 13.934 1.00 34.34 N ATOM 1160 CA SER A 75 24.358 24.688 15.284 1.00 31.40 C ATOM 1161 C SER A 75 22.899 24.371 15.639 1.00 52.02 C ATOM 1162 O SER A 75 21.997 24.531 14.807 1.00 0.30 O ATOM 1163 CB SER A 75 24.626 26.190 15.393 1.00 31.21 C ATOM 1164 OG SER A 75 25.922 26.508 14.904 1.00 22.13 O ATOM 0 H SER A 75 24.635 24.984 13.233 1.00 34.34 H new ATOM 0 HA SER A 75 24.997 24.158 15.991 1.00 31.40 H new ATOM 0 HB2 SER A 75 23.874 26.740 14.828 1.00 31.21 H new ATOM 0 HB3 SER A 75 24.537 26.505 16.433 1.00 31.21 H new ATOM 0 HG SER A 75 26.494 25.713 14.952 1.00 22.13 H new ATOM 1170 N PRO A 76 22.652 23.914 16.881 1.00 45.34 N ATOM 1171 CA PRO A 76 21.310 23.519 17.341 1.00 5.21 C ATOM 1172 C PRO A 76 20.280 24.634 17.177 1.00 44.52 C ATOM 1173 O PRO A 76 19.130 24.382 16.811 1.00 51.42 O ATOM 1174 CB PRO A 76 21.515 23.205 18.825 1.00 72.21 C ATOM 1175 CG PRO A 76 22.965 22.894 18.957 1.00 41.55 C ATOM 1176 CD PRO A 76 23.667 23.742 17.935 1.00 65.15 C ATOM 0 HA PRO A 76 20.919 22.683 16.761 1.00 5.21 H new ATOM 0 HB2 PRO A 76 21.235 24.053 19.450 1.00 72.21 H new ATOM 0 HB3 PRO A 76 20.900 22.361 19.138 1.00 72.21 H new ATOM 0 HG2 PRO A 76 23.322 23.119 19.962 1.00 41.55 H new ATOM 0 HG3 PRO A 76 23.154 21.835 18.781 1.00 41.55 H new ATOM 0 HD2 PRO A 76 23.979 24.699 18.353 1.00 65.15 H new ATOM 0 HD3 PRO A 76 24.563 23.253 17.554 1.00 65.15 H new ATOM 1184 N GLU A 77 20.709 25.863 17.441 1.00 41.22 N ATOM 1185 CA GLU A 77 19.850 27.036 17.317 1.00 22.44 C ATOM 1186 C GLU A 77 19.297 27.143 15.895 1.00 43.15 C ATOM 1187 O GLU A 77 18.112 27.415 15.690 1.00 12.42 O ATOM 1188 CB GLU A 77 20.653 28.292 17.676 1.00 61.33 C ATOM 1189 CG GLU A 77 19.907 29.287 18.553 1.00 22.41 C ATOM 1190 CD GLU A 77 18.740 29.946 17.852 1.00 43.51 C ATOM 1191 OE1 GLU A 77 18.979 30.763 16.940 1.00 3.44 O ATOM 1192 OE2 GLU A 77 17.584 29.671 18.224 1.00 23.01 O ATOM 0 H GLU A 77 21.659 26.075 17.746 1.00 41.22 H new ATOM 0 HA GLU A 77 19.008 26.940 18.002 1.00 22.44 H new ATOM 0 HB2 GLU A 77 21.567 27.990 18.187 1.00 61.33 H new ATOM 0 HB3 GLU A 77 20.953 28.792 16.755 1.00 61.33 H new ATOM 0 HG2 GLU A 77 19.544 28.775 19.444 1.00 22.41 H new ATOM 0 HG3 GLU A 77 20.602 30.057 18.889 1.00 22.41 H new ATOM 1199 N ASP A 78 20.163 26.903 14.916 1.00 64.10 N ATOM 1200 CA ASP A 78 19.782 26.965 13.510 1.00 20.24 C ATOM 1201 C ASP A 78 18.929 25.763 13.127 1.00 23.41 C ATOM 1202 O ASP A 78 17.981 25.889 12.350 1.00 70.25 O ATOM 1203 CB ASP A 78 21.023 27.031 12.615 1.00 74.32 C ATOM 1204 CG ASP A 78 21.819 28.302 12.831 1.00 33.44 C ATOM 1205 OD1 ASP A 78 22.587 28.365 13.809 1.00 54.10 O ATOM 1206 OD2 ASP A 78 21.654 29.257 12.041 1.00 35.31 O ATOM 0 H ASP A 78 21.142 26.662 15.073 1.00 64.10 H new ATOM 0 HA ASP A 78 19.194 27.871 13.362 1.00 20.24 H new ATOM 0 HB2 ASP A 78 21.659 26.168 12.814 1.00 74.32 H new ATOM 0 HB3 ASP A 78 20.719 26.968 11.570 1.00 74.32 H new ATOM 1211 N VAL A 79 19.270 24.601 13.678 1.00 70.42 N ATOM 1212 CA VAL A 79 18.503 23.380 13.433 1.00 65.40 C ATOM 1213 C VAL A 79 17.045 23.560 13.851 1.00 5.45 C ATOM 1214 O VAL A 79 16.127 23.230 13.100 1.00 24.20 O ATOM 1215 CB VAL A 79 19.105 22.166 14.178 1.00 45.54 C ATOM 1216 CG1 VAL A 79 18.276 20.914 13.930 1.00 25.41 C ATOM 1217 CG2 VAL A 79 20.548 21.940 13.753 1.00 2.33 C ATOM 0 H VAL A 79 20.071 24.478 14.297 1.00 70.42 H new ATOM 0 HA VAL A 79 18.550 23.185 12.362 1.00 65.40 H new ATOM 0 HB VAL A 79 19.088 22.381 15.246 1.00 45.54 H new ATOM 0 HG11 VAL A 79 18.718 20.073 14.464 1.00 25.41 H new ATOM 0 HG12 VAL A 79 17.258 21.075 14.286 1.00 25.41 H new ATOM 0 HG13 VAL A 79 18.257 20.696 12.862 1.00 25.41 H new ATOM 0 HG21 VAL A 79 20.955 21.082 14.288 1.00 2.33 H new ATOM 0 HG22 VAL A 79 20.586 21.750 12.680 1.00 2.33 H new ATOM 0 HG23 VAL A 79 21.139 22.826 13.986 1.00 2.33 H new ATOM 1227 N GLU A 80 16.842 24.106 15.041 1.00 62.32 N ATOM 1228 CA GLU A 80 15.500 24.368 15.546 1.00 15.51 C ATOM 1229 C GLU A 80 14.785 25.381 14.647 1.00 42.51 C ATOM 1230 O GLU A 80 13.585 25.261 14.380 1.00 73.11 O ATOM 1231 CB GLU A 80 15.586 24.889 16.986 1.00 72.14 C ATOM 1232 CG GLU A 80 14.240 25.124 17.649 1.00 41.52 C ATOM 1233 CD GLU A 80 13.403 23.865 17.760 1.00 51.12 C ATOM 1234 OE1 GLU A 80 13.523 23.149 18.778 1.00 23.22 O ATOM 1235 OE2 GLU A 80 12.611 23.594 16.835 1.00 11.14 O ATOM 0 H GLU A 80 17.591 24.377 15.678 1.00 62.32 H new ATOM 0 HA GLU A 80 14.925 23.442 15.540 1.00 15.51 H new ATOM 0 HB2 GLU A 80 16.153 24.176 17.584 1.00 72.14 H new ATOM 0 HB3 GLU A 80 16.147 25.824 16.989 1.00 72.14 H new ATOM 0 HG2 GLU A 80 14.400 25.536 18.646 1.00 41.52 H new ATOM 0 HG3 GLU A 80 13.687 25.871 17.080 1.00 41.52 H new ATOM 1242 N ARG A 81 15.536 26.361 14.155 1.00 50.40 N ATOM 1243 CA ARG A 81 14.973 27.391 13.292 1.00 73.35 C ATOM 1244 C ARG A 81 14.497 26.811 11.959 1.00 24.52 C ATOM 1245 O ARG A 81 13.371 27.083 11.536 1.00 72.03 O ATOM 1246 CB ARG A 81 15.979 28.523 13.061 1.00 51.11 C ATOM 1247 CG ARG A 81 15.650 29.786 13.848 1.00 33.12 C ATOM 1248 CD ARG A 81 16.676 30.884 13.616 1.00 12.04 C ATOM 1249 NE ARG A 81 17.914 30.653 14.362 1.00 54.21 N ATOM 1250 CZ ARG A 81 19.110 30.473 13.802 1.00 1.12 C ATOM 1251 NH1 ARG A 81 19.254 30.498 12.483 1.00 25.34 N ATOM 1252 NH2 ARG A 81 20.167 30.285 14.575 1.00 65.00 N ATOM 0 H ARG A 81 16.534 26.463 14.339 1.00 50.40 H new ATOM 0 HA ARG A 81 14.103 27.804 13.803 1.00 73.35 H new ATOM 0 HB2 ARG A 81 16.975 28.178 13.339 1.00 51.11 H new ATOM 0 HB3 ARG A 81 16.010 28.762 11.998 1.00 51.11 H new ATOM 0 HG2 ARG A 81 14.662 30.146 13.560 1.00 33.12 H new ATOM 0 HG3 ARG A 81 15.606 29.550 14.911 1.00 33.12 H new ATOM 0 HD2 ARG A 81 16.902 30.948 12.552 1.00 12.04 H new ATOM 0 HD3 ARG A 81 16.251 31.844 13.910 1.00 12.04 H new ATOM 0 HE ARG A 81 17.858 30.628 15.380 1.00 54.21 H new ATOM 0 HH11 ARG A 81 18.443 30.656 11.884 1.00 25.34 H new ATOM 0 HH12 ARG A 81 20.175 30.359 12.068 1.00 25.34 H new ATOM 0 HH21 ARG A 81 20.062 30.279 15.590 1.00 65.00 H new ATOM 0 HH22 ARG A 81 21.087 30.146 14.156 1.00 65.00 H new ATOM 1266 N VAL A 82 15.336 26.006 11.302 1.00 32.54 N ATOM 1267 CA VAL A 82 14.944 25.395 10.029 1.00 71.44 C ATOM 1268 C VAL A 82 13.802 24.406 10.254 1.00 64.30 C ATOM 1269 O VAL A 82 12.917 24.258 9.408 1.00 33.50 O ATOM 1270 CB VAL A 82 16.126 24.683 9.315 1.00 10.34 C ATOM 1271 CG1 VAL A 82 16.498 23.379 10.002 1.00 44.34 C ATOM 1272 CG2 VAL A 82 15.795 24.438 7.849 1.00 23.43 C ATOM 0 H VAL A 82 16.274 25.765 11.622 1.00 32.54 H new ATOM 0 HA VAL A 82 14.615 26.203 9.376 1.00 71.44 H new ATOM 0 HB VAL A 82 16.991 25.344 9.375 1.00 10.34 H new ATOM 0 HG11 VAL A 82 17.328 22.912 9.472 1.00 44.34 H new ATOM 0 HG12 VAL A 82 16.793 23.581 11.032 1.00 44.34 H new ATOM 0 HG13 VAL A 82 15.640 22.707 9.996 1.00 44.34 H new ATOM 0 HG21 VAL A 82 16.634 23.939 7.365 1.00 23.43 H new ATOM 0 HG22 VAL A 82 14.908 23.809 7.777 1.00 23.43 H new ATOM 0 HG23 VAL A 82 15.606 25.391 7.355 1.00 23.43 H new ATOM 1282 N ARG A 83 13.818 23.752 11.414 1.00 12.43 N ATOM 1283 CA ARG A 83 12.767 22.820 11.790 1.00 22.25 C ATOM 1284 C ARG A 83 11.419 23.531 11.806 1.00 63.13 C ATOM 1285 O ARG A 83 10.472 23.087 11.159 1.00 31.24 O ATOM 1286 CB ARG A 83 13.089 22.193 13.158 1.00 63.22 C ATOM 1287 CG ARG A 83 12.005 21.284 13.728 1.00 61.31 C ATOM 1288 CD ARG A 83 11.018 22.060 14.589 1.00 74.43 C ATOM 1289 NE ARG A 83 10.065 21.187 15.270 1.00 41.44 N ATOM 1290 CZ ARG A 83 9.823 21.241 16.578 1.00 73.12 C ATOM 1291 NH1 ARG A 83 10.521 22.062 17.354 1.00 20.14 N ATOM 1292 NH2 ARG A 83 8.891 20.460 17.112 1.00 15.30 N ATOM 0 H ARG A 83 14.555 23.855 12.112 1.00 12.43 H new ATOM 0 HA ARG A 83 12.712 22.017 11.055 1.00 22.25 H new ATOM 0 HB2 ARG A 83 14.012 21.619 13.069 1.00 63.22 H new ATOM 0 HB3 ARG A 83 13.280 22.995 13.871 1.00 63.22 H new ATOM 0 HG2 ARG A 83 11.472 20.797 12.912 1.00 61.31 H new ATOM 0 HG3 ARG A 83 12.466 20.496 14.323 1.00 61.31 H new ATOM 0 HD2 ARG A 83 11.566 22.642 15.330 1.00 74.43 H new ATOM 0 HD3 ARG A 83 10.475 22.769 13.964 1.00 74.43 H new ATOM 0 HE ARG A 83 9.558 20.499 14.713 1.00 41.44 H new ATOM 0 HH11 ARG A 83 11.246 22.654 16.948 1.00 20.14 H new ATOM 0 HH12 ARG A 83 10.332 22.100 18.356 1.00 20.14 H new ATOM 0 HH21 ARG A 83 8.362 19.820 16.520 1.00 15.30 H new ATOM 0 HH22 ARG A 83 8.705 20.500 18.114 1.00 15.30 H new ATOM 1306 N ALA A 84 11.345 24.645 12.527 1.00 12.14 N ATOM 1307 CA ALA A 84 10.113 25.419 12.609 1.00 60.24 C ATOM 1308 C ALA A 84 9.711 25.967 11.241 1.00 70.42 C ATOM 1309 O ALA A 84 8.532 25.951 10.882 1.00 23.24 O ATOM 1310 CB ALA A 84 10.263 26.552 13.608 1.00 63.52 C ATOM 0 H ALA A 84 12.123 25.031 13.062 1.00 12.14 H new ATOM 0 HA ALA A 84 9.321 24.752 12.950 1.00 60.24 H new ATOM 0 HB1 ALA A 84 9.334 27.120 13.657 1.00 63.52 H new ATOM 0 HB2 ALA A 84 10.489 26.142 14.592 1.00 63.52 H new ATOM 0 HB3 ALA A 84 11.074 27.209 13.294 1.00 63.52 H new ATOM 1316 N ARG A 85 10.698 26.441 10.484 1.00 4.11 N ATOM 1317 CA ARG A 85 10.454 26.969 9.142 1.00 74.14 C ATOM 1318 C ARG A 85 9.763 25.932 8.266 1.00 31.20 C ATOM 1319 O ARG A 85 8.685 26.178 7.732 1.00 12.24 O ATOM 1320 CB ARG A 85 11.763 27.396 8.474 1.00 14.31 C ATOM 1321 CG ARG A 85 12.369 28.668 9.040 1.00 15.44 C ATOM 1322 CD ARG A 85 13.670 29.007 8.331 1.00 12.24 C ATOM 1323 NE ARG A 85 14.221 30.291 8.754 1.00 30.11 N ATOM 1324 CZ ARG A 85 15.311 30.843 8.217 1.00 74.23 C ATOM 1325 NH1 ARG A 85 16.012 30.188 7.299 1.00 74.02 N ATOM 1326 NH2 ARG A 85 15.713 32.040 8.616 1.00 62.23 N ATOM 0 H ARG A 85 11.675 26.471 10.776 1.00 4.11 H new ATOM 0 HA ARG A 85 9.806 27.839 9.249 1.00 74.14 H new ATOM 0 HB2 ARG A 85 12.488 26.588 8.572 1.00 14.31 H new ATOM 0 HB3 ARG A 85 11.584 27.536 7.408 1.00 14.31 H new ATOM 0 HG2 ARG A 85 11.664 29.492 8.930 1.00 15.44 H new ATOM 0 HG3 ARG A 85 12.552 28.545 10.107 1.00 15.44 H new ATOM 0 HD2 ARG A 85 14.400 28.221 8.524 1.00 12.24 H new ATOM 0 HD3 ARG A 85 13.499 29.026 7.255 1.00 12.24 H new ATOM 0 HE ARG A 85 13.746 30.795 9.503 1.00 30.11 H new ATOM 0 HH11 ARG A 85 15.718 29.258 7.001 1.00 74.02 H new ATOM 0 HH12 ARG A 85 16.844 30.615 6.892 1.00 74.02 H new ATOM 0 HH21 ARG A 85 15.190 32.541 9.334 1.00 62.23 H new ATOM 0 HH22 ARG A 85 16.546 32.461 8.205 1.00 62.23 H new ATOM 1340 N LEU A 86 10.385 24.767 8.140 1.00 63.41 N ATOM 1341 CA LEU A 86 9.862 23.709 7.284 1.00 3.23 C ATOM 1342 C LEU A 86 8.547 23.158 7.823 1.00 51.33 C ATOM 1343 O LEU A 86 7.608 22.934 7.057 1.00 11.12 O ATOM 1344 CB LEU A 86 10.887 22.578 7.129 1.00 64.25 C ATOM 1345 CG LEU A 86 11.927 22.768 6.014 1.00 51.31 C ATOM 1346 CD1 LEU A 86 11.256 22.755 4.653 1.00 63.43 C ATOM 1347 CD2 LEU A 86 12.704 24.060 6.202 1.00 3.31 C ATOM 0 H LEU A 86 11.253 24.530 8.620 1.00 63.41 H new ATOM 0 HA LEU A 86 9.670 24.145 6.303 1.00 3.23 H new ATOM 0 HB2 LEU A 86 11.414 22.458 8.075 1.00 64.25 H new ATOM 0 HB3 LEU A 86 10.349 21.648 6.944 1.00 64.25 H new ATOM 0 HG LEU A 86 12.630 21.937 6.069 1.00 51.31 H new ATOM 0 HD11 LEU A 86 12.008 22.891 3.875 1.00 63.43 H new ATOM 0 HD12 LEU A 86 10.750 21.801 4.506 1.00 63.43 H new ATOM 0 HD13 LEU A 86 10.528 23.564 4.599 1.00 63.43 H new ATOM 0 HD21 LEU A 86 13.432 24.167 5.398 1.00 3.31 H new ATOM 0 HD22 LEU A 86 12.015 24.905 6.183 1.00 3.31 H new ATOM 0 HD23 LEU A 86 13.223 24.037 7.160 1.00 3.31 H new ATOM 1359 N ALA A 87 8.470 22.975 9.141 1.00 64.31 N ATOM 1360 CA ALA A 87 7.277 22.411 9.776 1.00 55.30 C ATOM 1361 C ALA A 87 6.051 23.283 9.530 1.00 40.51 C ATOM 1362 O ALA A 87 4.919 22.796 9.554 1.00 60.31 O ATOM 1363 CB ALA A 87 7.497 22.229 11.270 1.00 2.20 C ATOM 0 H ALA A 87 9.220 23.209 9.791 1.00 64.31 H new ATOM 0 HA ALA A 87 7.096 21.435 9.325 1.00 55.30 H new ATOM 0 HB1 ALA A 87 6.598 21.809 11.722 1.00 2.20 H new ATOM 0 HB2 ALA A 87 8.336 21.553 11.435 1.00 2.20 H new ATOM 0 HB3 ALA A 87 7.715 23.195 11.726 1.00 2.20 H new ATOM 1369 N ALA A 88 6.286 24.570 9.286 1.00 12.20 N ATOM 1370 CA ALA A 88 5.208 25.508 8.997 1.00 35.54 C ATOM 1371 C ALA A 88 4.542 25.186 7.661 1.00 70.35 C ATOM 1372 O ALA A 88 3.395 25.557 7.425 1.00 34.21 O ATOM 1373 CB ALA A 88 5.733 26.937 8.996 1.00 1.20 C ATOM 0 H ALA A 88 7.217 24.987 9.283 1.00 12.20 H new ATOM 0 HA ALA A 88 4.457 25.410 9.781 1.00 35.54 H new ATOM 0 HB1 ALA A 88 4.916 27.625 8.779 1.00 1.20 H new ATOM 0 HB2 ALA A 88 6.154 27.171 9.974 1.00 1.20 H new ATOM 0 HB3 ALA A 88 6.506 27.040 8.235 1.00 1.20 H new ATOM 1379 N GLN A 89 5.265 24.494 6.788 1.00 43.22 N ATOM 1380 CA GLN A 89 4.718 24.092 5.496 1.00 34.15 C ATOM 1381 C GLN A 89 4.332 22.618 5.518 1.00 43.51 C ATOM 1382 O GLN A 89 3.346 22.213 4.906 1.00 25.11 O ATOM 1383 CB GLN A 89 5.712 24.358 4.355 1.00 71.20 C ATOM 1384 CG GLN A 89 5.614 25.760 3.753 1.00 64.44 C ATOM 1385 CD GLN A 89 6.504 26.791 4.431 1.00 71.20 C ATOM 1386 OE1 GLN A 89 6.936 27.755 3.803 1.00 75.44 O ATOM 1387 NE2 GLN A 89 6.781 26.606 5.706 1.00 62.23 N ATOM 0 H GLN A 89 6.228 24.200 6.950 1.00 43.22 H new ATOM 0 HA GLN A 89 3.827 24.693 5.314 1.00 34.15 H new ATOM 0 HB2 GLN A 89 6.725 24.205 4.727 1.00 71.20 H new ATOM 0 HB3 GLN A 89 5.548 23.624 3.566 1.00 71.20 H new ATOM 0 HG2 GLN A 89 5.876 25.709 2.696 1.00 64.44 H new ATOM 0 HG3 GLN A 89 4.579 26.096 3.809 1.00 64.44 H new ATOM 0 HE21 GLN A 89 6.406 25.795 6.197 1.00 62.23 H new ATOM 0 HE22 GLN A 89 7.371 27.274 6.202 1.00 62.23 H new ATOM 1396 N GLY A 90 5.116 21.825 6.228 1.00 41.15 N ATOM 1397 CA GLY A 90 4.834 20.412 6.360 1.00 31.11 C ATOM 1398 C GLY A 90 5.934 19.708 7.116 1.00 31.14 C ATOM 1399 O GLY A 90 7.004 20.276 7.323 1.00 41.14 O ATOM 0 H GLY A 90 5.952 22.139 6.721 1.00 41.15 H new ATOM 0 HA2 GLY A 90 3.886 20.274 6.879 1.00 31.11 H new ATOM 0 HA3 GLY A 90 4.724 19.966 5.372 1.00 31.11 H new ATOM 1403 N TRP A 91 5.687 18.481 7.534 1.00 1.05 N ATOM 1404 CA TRP A 91 6.680 17.733 8.282 1.00 21.13 C ATOM 1405 C TRP A 91 6.441 16.235 8.131 1.00 24.15 C ATOM 1406 O TRP A 91 5.716 15.629 8.915 1.00 54.32 O ATOM 1407 CB TRP A 91 6.650 18.140 9.758 1.00 54.31 C ATOM 1408 CG TRP A 91 7.901 17.788 10.500 1.00 20.42 C ATOM 1409 CD1 TRP A 91 8.072 16.764 11.384 1.00 65.12 C ATOM 1410 CD2 TRP A 91 9.160 18.464 10.418 1.00 12.15 C ATOM 1411 NE1 TRP A 91 9.363 16.760 11.855 1.00 72.51 N ATOM 1412 CE2 TRP A 91 10.050 17.794 11.276 1.00 54.41 C ATOM 1413 CE3 TRP A 91 9.622 19.568 9.697 1.00 43.04 C ATOM 1414 CZ2 TRP A 91 11.373 18.195 11.435 1.00 22.23 C ATOM 1415 CZ3 TRP A 91 10.934 19.967 9.857 1.00 21.42 C ATOM 1416 CH2 TRP A 91 11.797 19.279 10.717 1.00 15.43 C ATOM 0 H TRP A 91 4.812 17.983 7.370 1.00 1.05 H new ATOM 0 HA TRP A 91 7.667 17.964 7.882 1.00 21.13 H new ATOM 0 HB2 TRP A 91 6.487 19.215 9.827 1.00 54.31 H new ATOM 0 HB3 TRP A 91 5.801 17.657 10.243 1.00 54.31 H new ATOM 0 HD1 TRP A 91 7.306 16.060 11.672 1.00 65.12 H new ATOM 0 HE1 TRP A 91 9.747 16.095 12.526 1.00 72.51 H new ATOM 0 HE3 TRP A 91 8.964 20.100 9.026 1.00 43.04 H new ATOM 0 HZ2 TRP A 91 12.041 17.669 12.101 1.00 22.23 H new ATOM 0 HZ3 TRP A 91 11.300 20.823 9.310 1.00 21.42 H new ATOM 0 HH2 TRP A 91 12.820 19.611 10.816 1.00 15.43 H new ATOM 1427 N PRO A 92 7.039 15.622 7.100 1.00 64.14 N ATOM 1428 CA PRO A 92 6.884 14.191 6.833 1.00 60.55 C ATOM 1429 C PRO A 92 7.769 13.322 7.732 1.00 0.42 C ATOM 1430 O PRO A 92 8.035 12.160 7.426 1.00 12.41 O ATOM 1431 CB PRO A 92 7.309 14.062 5.370 1.00 45.11 C ATOM 1432 CG PRO A 92 8.264 15.185 5.137 1.00 23.52 C ATOM 1433 CD PRO A 92 7.896 16.284 6.099 1.00 20.11 C ATOM 0 HA PRO A 92 5.869 13.847 7.031 1.00 60.55 H new ATOM 0 HB2 PRO A 92 7.782 13.098 5.181 1.00 45.11 H new ATOM 0 HB3 PRO A 92 6.450 14.132 4.703 1.00 45.11 H new ATOM 0 HG2 PRO A 92 9.291 14.858 5.300 1.00 23.52 H new ATOM 0 HG3 PRO A 92 8.201 15.537 4.107 1.00 23.52 H new ATOM 0 HD2 PRO A 92 8.781 16.721 6.561 1.00 20.11 H new ATOM 0 HD3 PRO A 92 7.367 17.093 5.595 1.00 20.11 H new ATOM 1441 N LEU A 93 8.214 13.889 8.845 1.00 21.21 N ATOM 1442 CA LEU A 93 9.044 13.164 9.792 1.00 44.02 C ATOM 1443 C LEU A 93 8.224 12.773 11.013 1.00 73.14 C ATOM 1444 O LEU A 93 8.094 13.545 11.966 1.00 62.40 O ATOM 1445 CB LEU A 93 10.266 13.989 10.233 1.00 23.12 C ATOM 1446 CG LEU A 93 11.324 14.276 9.156 1.00 64.11 C ATOM 1447 CD1 LEU A 93 11.721 12.998 8.435 1.00 64.22 C ATOM 1448 CD2 LEU A 93 10.836 15.325 8.169 1.00 63.12 C ATOM 0 H LEU A 93 8.012 14.852 9.113 1.00 21.21 H new ATOM 0 HA LEU A 93 9.408 12.268 9.289 1.00 44.02 H new ATOM 0 HB2 LEU A 93 9.911 14.942 10.625 1.00 23.12 H new ATOM 0 HB3 LEU A 93 10.751 13.466 11.057 1.00 23.12 H new ATOM 0 HG LEU A 93 12.207 14.675 9.655 1.00 64.11 H new ATOM 0 HD11 LEU A 93 12.471 13.226 7.677 1.00 64.22 H new ATOM 0 HD12 LEU A 93 12.134 12.289 9.152 1.00 64.22 H new ATOM 0 HD13 LEU A 93 10.843 12.562 7.958 1.00 64.22 H new ATOM 0 HD21 LEU A 93 11.607 15.506 7.420 1.00 63.12 H new ATOM 0 HD22 LEU A 93 9.930 14.970 7.679 1.00 63.12 H new ATOM 0 HD23 LEU A 93 10.621 16.252 8.700 1.00 63.12 H new