USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 627 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 25 ASN : amide:sc= -0.225 K(o=-0.063,f=-3.2!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -164:sc= 0.161 (180deg=-0.0362) USER MOD Set 2.1: A 7 THR OG1 : rot -160:sc= 0.935 USER MOD Set 2.2: A 9 THR OG1 : rot -69:sc= 0.943 USER MOD Single : A 1 MET CE :methyl 174:sc= -0.0316 (180deg=-0.107) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0.284 (180deg=0.0816!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 160:sc= -1.87! USER MOD Single : A 14 THR OG1 : rot -71:sc= 0.00553 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= 1.26 (180deg=0.28) USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc=-0.00574 F(o=-1.8!,f=-0.0057) USER MOD Single : A 41 GLN : amide:sc= -0.222 K(o=-0.22,f=-4.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.32) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0479 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.0326 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 75:sc= -0.336 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 68 HIS : no HE2:sc= 0.163 K(o=0.16,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.273 24.830 2.721 1.00 49.53 N ATOM 2 CA MET A 1 26.175 25.780 2.973 1.00 50.07 C ATOM 3 C MET A 1 26.702 27.087 3.613 1.00 50.51 C ATOM 4 O MET A 1 27.779 27.065 4.207 1.00 49.49 O ATOM 5 CB MET A 1 25.119 25.139 3.871 1.00 49.82 C ATOM 6 CG MET A 1 24.349 23.998 3.221 1.00 49.86 C ATOM 7 SD MET A 1 23.206 23.193 4.361 1.00 49.91 S ATOM 8 CE MET A 1 22.618 21.837 3.350 1.00 49.78 C ATOM 0 H1 MET A 1 26.919 24.032 2.157 1.00 49.53 H new ATOM 0 H2 MET A 1 28.035 25.310 2.201 1.00 49.53 H new ATOM 0 H3 MET A 1 27.641 24.477 3.627 1.00 49.53 H new ATOM 0 HA MET A 1 25.720 26.034 2.015 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.604 24.766 4.773 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.411 25.907 4.184 1.00 49.82 H new ATOM 0 HG2 MET A 1 23.793 24.381 2.365 1.00 49.86 H new ATOM 0 HG3 MET A 1 25.054 23.260 2.838 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.984 21.184 3.950 1.00 49.78 H new ATOM 0 HE2 MET A 1 22.044 22.231 2.512 1.00 49.78 H new ATOM 0 HE3 MET A 1 23.468 21.269 2.972 1.00 49.78 H new ATOM 18 N GLN A 2 25.917 28.111 3.456 1.00 49.53 N ATOM 19 CA GLN A 2 26.304 29.422 4.066 1.00 50.07 C ATOM 20 C GLN A 2 25.777 29.494 5.493 1.00 50.51 C ATOM 21 O GLN A 2 24.681 28.975 5.843 1.00 49.49 O ATOM 22 CB GLN A 2 25.749 30.587 3.244 1.00 49.82 C ATOM 23 CG GLN A 2 26.323 30.687 1.841 1.00 49.82 C ATOM 24 CD GLN A 2 25.741 31.849 1.058 1.00 50.55 C ATOM 25 OE1 GLN A 2 24.605 31.786 0.580 1.00 49.45 O ATOM 26 NE2 GLN A 2 26.519 32.917 0.920 1.00 49.38 N ATOM 0 H GLN A 2 25.036 28.106 2.941 1.00 49.53 H new ATOM 0 HA GLN A 2 27.391 29.497 4.075 1.00 50.07 H new ATOM 0 HB2 GLN A 2 24.666 30.485 3.175 1.00 49.82 H new ATOM 0 HB3 GLN A 2 25.949 31.519 3.774 1.00 49.82 H new ATOM 0 HG2 GLN A 2 27.405 30.800 1.902 1.00 49.82 H new ATOM 0 HG3 GLN A 2 26.129 29.758 1.305 1.00 49.82 H new ATOM 0 HE21 GLN A 2 27.452 32.925 1.332 1.00 49.38 H new ATOM 0 HE22 GLN A 2 26.183 33.729 0.402 1.00 49.38 H new ATOM 35 N ILE A 3 26.582 30.092 6.359 1.00 49.53 N ATOM 36 CA ILE A 3 26.140 30.362 7.739 1.00 50.07 C ATOM 37 C ILE A 3 26.710 31.752 8.149 1.00 50.51 C ATOM 38 O ILE A 3 27.644 32.165 7.483 1.00 49.49 O ATOM 39 CB ILE A 3 26.631 29.286 8.726 1.00 49.91 C ATOM 40 CG1 ILE A 3 28.151 29.135 8.637 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.943 27.958 8.449 1.00 49.73 C ATOM 42 CD1 ILE A 3 28.719 28.110 9.593 1.00 49.73 C ATOM 0 H ILE A 3 27.531 30.399 6.146 1.00 49.53 H new ATOM 0 HA ILE A 3 25.051 30.350 7.775 1.00 50.07 H new ATOM 0 HB ILE A 3 26.376 29.600 9.738 1.00 49.91 H new ATOM 0 HG12 ILE A 3 28.420 28.856 7.618 1.00 49.82 H new ATOM 0 HG13 ILE A 3 28.615 30.101 8.837 1.00 49.82 H new ATOM 0 HG21 ILE A 3 26.301 27.209 9.155 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.865 28.076 8.561 1.00 49.73 H new ATOM 0 HG23 ILE A 3 26.169 27.636 7.432 1.00 49.73 H new ATOM 0 HD11 ILE A 3 29.801 28.059 9.471 1.00 49.73 H new ATOM 0 HD12 ILE A 3 28.482 28.397 10.617 1.00 49.73 H new ATOM 0 HD13 ILE A 3 28.284 27.134 9.380 1.00 49.73 H new ATOM 54 N PHE A 4 26.087 32.295 9.169 1.00 49.53 N ATOM 55 CA PHE A 4 26.577 33.642 9.646 1.00 50.07 C ATOM 56 C PHE A 4 27.179 33.604 11.023 1.00 50.51 C ATOM 57 O PHE A 4 26.494 33.063 11.904 1.00 49.49 O ATOM 58 CB PHE A 4 25.436 34.660 9.609 1.00 49.82 C ATOM 59 CG PHE A 4 24.937 34.962 8.225 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.684 35.745 7.359 1.00 49.88 C ATOM 61 CD2 PHE A 4 23.721 34.462 7.787 1.00 49.88 C ATOM 62 CE1 PHE A 4 25.227 36.025 6.085 1.00 49.88 C ATOM 63 CE2 PHE A 4 23.260 34.739 6.513 1.00 49.88 C ATOM 64 CZ PHE A 4 24.013 35.520 5.662 1.00 49.88 C ATOM 0 H PHE A 4 25.298 31.893 9.675 1.00 49.53 H new ATOM 0 HA PHE A 4 27.372 33.940 8.962 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.608 34.285 10.210 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.773 35.587 10.074 1.00 49.82 H new ATOM 0 HD1 PHE A 4 26.635 36.141 7.684 1.00 49.88 H new ATOM 0 HD2 PHE A 4 23.127 33.849 8.448 1.00 49.88 H new ATOM 0 HE1 PHE A 4 25.818 36.638 5.421 1.00 49.88 H new ATOM 0 HE2 PHE A 4 22.310 34.344 6.185 1.00 49.88 H new ATOM 0 HZ PHE A 4 23.654 35.736 4.667 1.00 49.88 H new ATOM 74 N VAL A 5 28.349 34.185 11.273 1.00 49.53 N ATOM 75 CA VAL A 5 28.909 34.241 12.608 1.00 50.07 C ATOM 76 C VAL A 5 28.807 35.718 13.061 1.00 50.51 C ATOM 77 O VAL A 5 29.607 36.464 12.484 1.00 49.49 O ATOM 78 CB VAL A 5 30.378 33.780 12.644 1.00 49.91 C ATOM 79 CG1 VAL A 5 30.893 33.757 14.075 1.00 49.73 C ATOM 80 CG2 VAL A 5 30.523 32.409 12.004 1.00 49.73 C ATOM 0 H VAL A 5 28.927 34.626 10.558 1.00 49.53 H new ATOM 0 HA VAL A 5 28.362 33.569 13.269 1.00 50.07 H new ATOM 0 HB VAL A 5 30.976 34.490 12.073 1.00 49.91 H new ATOM 0 HG11 VAL A 5 31.932 33.429 14.082 1.00 49.73 H new ATOM 0 HG12 VAL A 5 30.825 34.757 14.502 1.00 49.73 H new ATOM 0 HG13 VAL A 5 30.291 33.068 14.667 1.00 49.73 H new ATOM 0 HG21 VAL A 5 31.568 32.100 12.039 1.00 49.73 H new ATOM 0 HG22 VAL A 5 29.913 31.687 12.547 1.00 49.73 H new ATOM 0 HG23 VAL A 5 30.193 32.455 10.966 1.00 49.73 H new ATOM 90 N LYS A 6 27.899 36.007 13.927 1.00 49.53 N ATOM 91 CA LYS A 6 27.709 37.426 14.385 1.00 50.07 C ATOM 92 C LYS A 6 28.068 37.738 15.812 1.00 50.51 C ATOM 93 O LYS A 6 27.705 36.974 16.737 1.00 49.49 O ATOM 94 CB LYS A 6 26.263 37.856 14.131 1.00 49.82 C ATOM 95 CG LYS A 6 25.886 37.961 12.660 1.00 49.82 C ATOM 96 CD LYS A 6 24.380 38.082 12.481 1.00 49.82 C ATOM 97 CE LYS A 6 24.003 38.185 11.011 1.00 50.21 C ATOM 98 NZ LYS A 6 22.531 38.292 10.820 1.00 49.70 N ATOM 0 H LYS A 6 27.266 35.329 14.351 1.00 49.53 H new ATOM 0 HA LYS A 6 28.428 37.991 13.792 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.595 37.143 14.615 1.00 49.82 H new ATOM 0 HB3 LYS A 6 26.096 38.823 14.606 1.00 49.82 H new ATOM 0 HG2 LYS A 6 26.377 38.828 12.218 1.00 49.82 H new ATOM 0 HG3 LYS A 6 26.248 37.082 12.126 1.00 49.82 H new ATOM 0 HD2 LYS A 6 23.889 37.216 12.925 1.00 49.82 H new ATOM 0 HD3 LYS A 6 24.018 38.961 13.014 1.00 49.82 H new ATOM 0 HE2 LYS A 6 24.490 39.056 10.572 1.00 50.21 H new ATOM 0 HE3 LYS A 6 24.375 37.309 10.479 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 22.317 38.360 9.805 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 22.067 37.449 11.216 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 22.179 39.141 11.306 1.00 49.70 H new ATOM 112 N THR A 7 28.777 38.867 16.039 1.00 49.53 N ATOM 113 CA THR A 7 29.163 39.235 17.410 1.00 50.07 C ATOM 114 C THR A 7 28.508 40.581 17.730 1.00 50.51 C ATOM 115 O THR A 7 28.292 41.352 16.792 1.00 49.49 O ATOM 116 CB THR A 7 30.690 39.348 17.570 1.00 50.14 C ATOM 117 OG1 THR A 7 31.158 40.526 16.901 1.00 49.34 O ATOM 118 CG2 THR A 7 31.380 38.127 16.982 1.00 49.73 C ATOM 0 H THR A 7 29.083 39.516 15.314 1.00 49.53 H new ATOM 0 HA THR A 7 28.829 38.457 18.096 1.00 50.07 H new ATOM 0 HB THR A 7 30.925 39.408 18.633 1.00 50.14 H new ATOM 0 HG1 THR A 7 32.118 40.442 16.725 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.459 38.225 17.104 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.036 37.231 17.498 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.141 38.049 15.921 1.00 49.73 H new ATOM 126 N LEU A 8 28.278 40.870 18.991 1.00 49.53 N ATOM 127 CA LEU A 8 27.609 42.134 19.376 1.00 50.07 C ATOM 128 C LEU A 8 28.441 43.327 18.951 1.00 50.51 C ATOM 129 O LEU A 8 27.950 44.470 19.008 1.00 49.49 O ATOM 130 CB LEU A 8 27.359 42.165 20.889 1.00 49.82 C ATOM 131 CG LEU A 8 26.289 41.189 21.395 1.00 49.91 C ATOM 132 CD1 LEU A 8 26.056 41.396 22.885 1.00 49.73 C ATOM 133 CD2 LEU A 8 25.001 41.396 20.612 1.00 49.73 C ATOM 0 H LEU A 8 28.533 40.268 19.774 1.00 49.53 H new ATOM 0 HA LEU A 8 26.648 42.187 18.864 1.00 50.07 H new ATOM 0 HB2 LEU A 8 28.297 41.948 21.400 1.00 49.82 H new ATOM 0 HB3 LEU A 8 27.068 43.177 21.172 1.00 49.82 H new ATOM 0 HG LEU A 8 26.630 40.165 21.243 1.00 49.91 H new ATOM 0 HD11 LEU A 8 25.295 40.699 23.235 1.00 49.73 H new ATOM 0 HD12 LEU A 8 26.985 41.220 23.427 1.00 49.73 H new ATOM 0 HD13 LEU A 8 25.721 42.418 23.062 1.00 49.73 H new ATOM 0 HD21 LEU A 8 24.241 40.702 20.972 1.00 49.73 H new ATOM 0 HD22 LEU A 8 24.652 42.420 20.749 1.00 49.73 H new ATOM 0 HD23 LEU A 8 25.186 41.215 19.553 1.00 49.73 H new ATOM 145 N THR A 9 29.712 43.099 18.566 1.00 49.53 N ATOM 146 CA THR A 9 30.495 44.312 18.153 1.00 50.07 C ATOM 147 C THR A 9 29.981 44.967 16.907 1.00 50.51 C ATOM 148 O THR A 9 30.288 46.135 16.607 1.00 49.49 O ATOM 149 CB THR A 9 31.982 43.969 17.951 1.00 50.14 C ATOM 150 OG1 THR A 9 32.101 42.847 17.067 1.00 49.34 O ATOM 151 CG2 THR A 9 32.638 43.634 19.281 1.00 49.73 C ATOM 0 H THR A 9 30.190 42.199 18.527 1.00 49.53 H new ATOM 0 HA THR A 9 30.374 45.020 18.973 1.00 50.07 H new ATOM 0 HB THR A 9 32.483 44.835 17.519 1.00 50.14 H new ATOM 0 HG1 THR A 9 31.768 42.041 17.515 1.00 49.34 H new ATOM 0 HG21 THR A 9 33.689 43.394 19.118 1.00 49.73 H new ATOM 0 HG22 THR A 9 32.561 44.490 19.951 1.00 49.73 H new ATOM 0 HG23 THR A 9 32.135 42.777 19.729 1.00 49.73 H new ATOM 159 N GLY A 10 29.273 44.250 16.090 1.00 49.53 N ATOM 160 CA GLY A 10 28.711 44.752 14.856 1.00 49.98 C ATOM 161 C GLY A 10 29.483 44.303 13.651 1.00 50.51 C ATOM 162 O GLY A 10 29.264 44.819 12.532 1.00 49.49 O ATOM 0 H GLY A 10 29.059 43.268 16.261 1.00 49.53 H new ATOM 0 HA2 GLY A 10 27.678 44.416 14.768 1.00 49.98 H new ATOM 0 HA3 GLY A 10 28.691 45.841 14.886 1.00 49.98 H new ATOM 166 N LYS A 11 30.388 43.379 13.851 1.00 49.53 N ATOM 167 CA LYS A 11 31.138 42.771 12.762 1.00 50.07 C ATOM 168 C LYS A 11 30.592 41.374 12.383 1.00 50.51 C ATOM 169 O LYS A 11 30.378 40.595 13.305 1.00 49.49 O ATOM 170 CB LYS A 11 32.619 42.668 13.130 1.00 49.82 C ATOM 171 CG LYS A 11 33.341 44.007 13.213 1.00 49.82 C ATOM 172 CD LYS A 11 34.850 43.820 13.267 1.00 49.82 C ATOM 173 CE LYS A 11 35.571 45.158 13.345 1.00 50.21 C ATOM 174 NZ LYS A 11 37.049 44.991 13.394 1.00 49.70 N ATOM 0 H LYS A 11 30.632 43.020 14.774 1.00 49.53 H new ATOM 0 HA LYS A 11 31.021 43.417 11.892 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.708 42.161 14.091 1.00 49.82 H new ATOM 0 HB3 LYS A 11 33.122 42.043 12.392 1.00 49.82 H new ATOM 0 HG2 LYS A 11 33.079 44.618 12.349 1.00 49.82 H new ATOM 0 HG3 LYS A 11 33.008 44.548 14.099 1.00 49.82 H new ATOM 0 HD2 LYS A 11 35.112 43.212 14.133 1.00 49.82 H new ATOM 0 HD3 LYS A 11 35.183 43.276 12.383 1.00 49.82 H new ATOM 0 HE2 LYS A 11 35.303 45.766 12.481 1.00 50.21 H new ATOM 0 HE3 LYS A 11 35.237 45.699 14.231 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 37.502 45.925 13.447 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 37.308 44.433 14.233 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 37.371 44.498 12.537 1.00 49.70 H new ATOM 188 N THR A 12 30.450 41.129 11.095 1.00 49.53 N ATOM 189 CA THR A 12 30.013 39.777 10.697 1.00 50.07 C ATOM 190 C THR A 12 30.889 39.080 9.659 1.00 50.51 C ATOM 191 O THR A 12 31.304 39.782 8.733 1.00 49.49 O ATOM 192 CB THR A 12 28.567 39.802 10.169 1.00 50.14 C ATOM 193 OG1 THR A 12 27.672 40.156 11.232 1.00 49.34 O ATOM 194 CG2 THR A 12 28.177 38.440 9.617 1.00 49.73 C ATOM 0 H THR A 12 30.615 41.792 10.337 1.00 49.53 H new ATOM 0 HA THR A 12 30.097 39.196 11.616 1.00 50.07 H new ATOM 0 HB THR A 12 28.502 40.540 9.369 1.00 50.14 H new ATOM 0 HG1 THR A 12 26.829 40.482 10.854 1.00 49.34 H new ATOM 0 HG21 THR A 12 27.152 38.477 9.248 1.00 49.73 H new ATOM 0 HG22 THR A 12 28.847 38.173 8.800 1.00 49.73 H new ATOM 0 HG23 THR A 12 28.252 37.692 10.407 1.00 49.73 H new ATOM 202 N ILE A 13 30.944 37.751 9.735 1.00 49.53 N ATOM 203 CA ILE A 13 31.800 37.089 8.707 1.00 50.07 C ATOM 204 C ILE A 13 31.000 35.935 8.171 1.00 50.51 C ATOM 205 O ILE A 13 30.033 35.494 8.823 1.00 49.49 O ATOM 206 CB ILE A 13 33.130 36.579 9.294 1.00 49.91 C ATOM 207 CG1 ILE A 13 34.003 35.973 8.192 1.00 49.82 C ATOM 208 CG2 ILE A 13 32.869 35.561 10.393 1.00 49.73 C ATOM 209 CD1 ILE A 13 35.479 35.968 8.517 1.00 49.73 C ATOM 0 H ILE A 13 30.471 37.151 10.410 1.00 49.53 H new ATOM 0 HA ILE A 13 32.065 37.804 7.928 1.00 50.07 H new ATOM 0 HB ILE A 13 33.664 37.424 9.729 1.00 49.91 H new ATOM 0 HG12 ILE A 13 33.678 34.949 8.006 1.00 49.82 H new ATOM 0 HG13 ILE A 13 33.846 36.531 7.269 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.819 35.210 10.797 1.00 49.73 H new ATOM 0 HG22 ILE A 13 32.285 36.025 11.188 1.00 49.73 H new ATOM 0 HG23 ILE A 13 32.316 34.716 9.983 1.00 49.73 H new ATOM 0 HD11 ILE A 13 36.032 35.524 7.690 1.00 49.73 H new ATOM 0 HD12 ILE A 13 35.820 36.991 8.674 1.00 49.73 H new ATOM 0 HD13 ILE A 13 35.650 35.385 9.422 1.00 49.73 H new ATOM 221 N THR A 14 31.314 35.466 6.983 1.00 49.53 N ATOM 222 CA THR A 14 30.537 34.293 6.484 1.00 50.07 C ATOM 223 C THR A 14 31.394 33.093 6.171 1.00 50.51 C ATOM 224 O THR A 14 32.524 33.243 5.638 1.00 49.49 O ATOM 225 CB THR A 14 29.725 34.658 5.228 1.00 50.14 C ATOM 226 OG1 THR A 14 28.731 35.633 5.566 1.00 49.34 O ATOM 227 CG2 THR A 14 29.046 33.424 4.655 1.00 49.73 C ATOM 0 H THR A 14 32.041 35.827 6.365 1.00 49.53 H new ATOM 0 HA THR A 14 29.870 34.024 7.303 1.00 50.07 H new ATOM 0 HB THR A 14 30.404 35.066 4.480 1.00 50.14 H new ATOM 0 HG1 THR A 14 28.033 35.213 6.111 1.00 49.34 H new ATOM 0 HG21 THR A 14 28.477 33.701 3.768 1.00 49.73 H new ATOM 0 HG22 THR A 14 29.801 32.685 4.386 1.00 49.73 H new ATOM 0 HG23 THR A 14 28.373 33.000 5.400 1.00 49.73 H new ATOM 235 N LEU A 15 30.904 31.888 6.417 1.00 49.53 N ATOM 236 CA LEU A 15 31.659 30.680 6.163 1.00 50.07 C ATOM 237 C LEU A 15 30.913 29.799 5.154 1.00 50.51 C ATOM 238 O LEU A 15 29.732 30.074 4.988 1.00 49.49 O ATOM 239 CB LEU A 15 31.902 29.916 7.470 1.00 49.82 C ATOM 240 CG LEU A 15 32.641 30.705 8.560 1.00 49.91 C ATOM 241 CD1 LEU A 15 32.698 29.891 9.846 1.00 49.73 C ATOM 242 CD2 LEU A 15 34.042 31.050 8.077 1.00 49.73 C ATOM 0 H LEU A 15 29.972 31.724 6.798 1.00 49.53 H new ATOM 0 HA LEU A 15 32.627 30.951 5.742 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.940 29.592 7.867 1.00 49.82 H new ATOM 0 HB3 LEU A 15 32.473 29.015 7.245 1.00 49.82 H new ATOM 0 HG LEU A 15 32.104 31.631 8.766 1.00 49.91 H new ATOM 0 HD11 LEU A 15 33.224 30.459 10.613 1.00 49.73 H new ATOM 0 HD12 LEU A 15 31.685 29.675 10.185 1.00 49.73 H new ATOM 0 HD13 LEU A 15 33.226 28.955 9.661 1.00 49.73 H new ATOM 0 HD21 LEU A 15 34.566 31.610 8.851 1.00 49.73 H new ATOM 0 HD22 LEU A 15 34.588 30.132 7.860 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.976 31.655 7.173 1.00 49.73 H new ATOM 254 N GLU A 16 31.611 28.809 4.651 1.00 49.53 N ATOM 255 CA GLU A 16 30.885 27.839 3.767 1.00 50.07 C ATOM 256 C GLU A 16 31.216 26.460 4.296 1.00 50.51 C ATOM 257 O GLU A 16 32.278 25.933 3.971 1.00 49.49 O ATOM 258 CB GLU A 16 31.321 27.985 2.308 1.00 49.82 C ATOM 259 CG GLU A 16 30.551 27.108 1.330 1.00 49.72 C ATOM 260 CD GLU A 16 30.763 27.557 -0.089 1.00 50.62 C ATOM 261 OE1 GLU A 16 31.886 27.554 -0.532 1.00 49.24 O ATOM 262 OE2 GLU A 16 29.790 27.794 -0.767 1.00 49.24 O ATOM 0 H GLU A 16 32.604 28.633 4.802 1.00 49.53 H new ATOM 0 HA GLU A 16 29.811 28.023 3.783 1.00 50.07 H new ATOM 0 HB2 GLU A 16 31.207 29.027 2.010 1.00 49.82 H new ATOM 0 HB3 GLU A 16 32.382 27.747 2.233 1.00 49.82 H new ATOM 0 HG2 GLU A 16 30.871 26.072 1.438 1.00 49.72 H new ATOM 0 HG3 GLU A 16 29.488 27.140 1.569 1.00 49.72 H new ATOM 269 N VAL A 17 30.324 26.017 5.170 1.00 49.53 N ATOM 270 CA VAL A 17 30.471 24.728 5.837 1.00 50.07 C ATOM 271 C VAL A 17 29.508 23.677 5.264 1.00 50.51 C ATOM 272 O VAL A 17 28.678 23.963 4.371 1.00 49.49 O ATOM 273 CB VAL A 17 30.235 24.850 7.355 1.00 49.91 C ATOM 274 CG1 VAL A 17 31.261 25.783 7.980 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.824 25.345 7.636 1.00 49.73 C ATOM 0 H VAL A 17 29.486 26.533 5.436 1.00 49.53 H new ATOM 0 HA VAL A 17 31.496 24.404 5.657 1.00 50.07 H new ATOM 0 HB VAL A 17 30.350 23.863 7.802 1.00 49.91 H new ATOM 0 HG11 VAL A 17 31.079 25.858 9.052 1.00 49.73 H new ATOM 0 HG12 VAL A 17 32.263 25.390 7.808 1.00 49.73 H new ATOM 0 HG13 VAL A 17 31.177 26.771 7.528 1.00 49.73 H new ATOM 0 HG21 VAL A 17 28.674 25.425 8.713 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.683 26.323 7.176 1.00 49.73 H new ATOM 0 HG23 VAL A 17 28.102 24.642 7.221 1.00 49.73 H new ATOM 285 N GLU A 18 29.727 22.481 5.761 1.00 49.53 N ATOM 286 CA GLU A 18 28.883 21.318 5.475 1.00 50.07 C ATOM 287 C GLU A 18 28.020 20.958 6.675 1.00 50.51 C ATOM 288 O GLU A 18 28.409 21.146 7.817 1.00 49.49 O ATOM 289 CB GLU A 18 29.744 20.120 5.066 1.00 49.82 C ATOM 290 CG GLU A 18 30.502 20.307 3.760 1.00 49.72 C ATOM 291 CD GLU A 18 31.088 19.010 3.279 1.00 50.62 C ATOM 292 OE1 GLU A 18 30.929 18.020 3.953 1.00 49.24 O ATOM 293 OE2 GLU A 18 31.598 18.981 2.183 1.00 49.24 O ATOM 0 H GLU A 18 30.506 22.274 6.386 1.00 49.53 H new ATOM 0 HA GLU A 18 28.223 21.578 4.647 1.00 50.07 H new ATOM 0 HB2 GLU A 18 30.460 19.915 5.861 1.00 49.82 H new ATOM 0 HB3 GLU A 18 29.105 19.242 4.978 1.00 49.82 H new ATOM 0 HG2 GLU A 18 29.830 20.709 3.001 1.00 49.72 H new ATOM 0 HG3 GLU A 18 31.298 21.038 3.900 1.00 49.72 H new ATOM 300 N PRO A 19 26.812 20.491 6.423 1.00 49.71 N ATOM 301 CA PRO A 19 25.896 20.060 7.480 1.00 50.02 C ATOM 302 C PRO A 19 26.520 19.019 8.376 1.00 50.51 C ATOM 303 O PRO A 19 26.104 18.819 9.526 1.00 49.49 O ATOM 304 CB PRO A 19 24.692 19.479 6.706 1.00 49.82 C ATOM 305 CG PRO A 19 24.709 20.259 5.433 1.00 49.82 C ATOM 306 CD PRO A 19 26.216 20.317 5.074 1.00 50.00 C ATOM 0 HA PRO A 19 25.621 20.877 8.147 1.00 50.02 H new ATOM 0 HB2 PRO A 19 24.804 18.410 6.527 1.00 49.82 H new ATOM 0 HB3 PRO A 19 23.758 19.614 7.251 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.128 19.769 4.652 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.288 21.256 5.566 1.00 49.82 H new ATOM 0 HD2 PRO A 19 26.560 19.406 4.584 1.00 50.00 H new ATOM 0 HD3 PRO A 19 26.451 21.147 4.407 1.00 50.00 H new ATOM 314 N SER A 20 27.499 18.293 7.862 1.00 49.53 N ATOM 315 CA SER A 20 28.125 17.220 8.650 1.00 50.07 C ATOM 316 C SER A 20 29.288 17.650 9.512 1.00 50.51 C ATOM 317 O SER A 20 29.833 16.795 10.232 1.00 49.49 O ATOM 318 CB SER A 20 28.568 16.104 7.723 1.00 50.05 C ATOM 319 OG SER A 20 29.451 16.559 6.735 1.00 49.34 O ATOM 0 H SER A 20 27.878 18.415 6.923 1.00 49.53 H new ATOM 0 HA SER A 20 27.356 16.884 9.346 1.00 50.07 H new ATOM 0 HB2 SER A 20 29.050 15.319 8.306 1.00 50.05 H new ATOM 0 HB3 SER A 20 27.693 15.658 7.249 1.00 50.05 H new ATOM 0 HG SER A 20 29.713 15.810 6.161 1.00 49.34 H new ATOM 325 N ASP A 21 29.742 18.894 9.334 1.00 49.53 N ATOM 326 CA ASP A 21 30.901 19.324 10.159 1.00 50.07 C ATOM 327 C ASP A 21 30.522 19.368 11.617 1.00 50.51 C ATOM 328 O ASP A 21 29.366 19.682 11.966 1.00 49.49 O ATOM 329 CB ASP A 21 31.409 20.694 9.702 1.00 49.72 C ATOM 330 CG ASP A 21 31.978 20.715 8.290 1.00 50.62 C ATOM 331 OD1 ASP A 21 31.974 19.689 7.654 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.265 21.783 7.803 1.00 49.24 O ATOM 0 H ASP A 21 29.368 19.583 8.682 1.00 49.53 H new ATOM 0 HA ASP A 21 31.702 18.597 10.029 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.589 21.410 9.761 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.179 21.033 10.396 1.00 49.72 H new ATOM 337 N THR A 22 31.492 19.100 12.473 1.00 49.53 N ATOM 338 CA THR A 22 31.308 19.190 13.903 1.00 50.07 C ATOM 339 C THR A 22 31.381 20.664 14.367 1.00 50.51 C ATOM 340 O THR A 22 31.701 21.544 13.562 1.00 49.49 O ATOM 341 CB THR A 22 32.364 18.368 14.664 1.00 50.14 C ATOM 342 OG1 THR A 22 33.677 18.773 14.253 1.00 49.34 O ATOM 343 CG2 THR A 22 32.186 16.882 14.386 1.00 49.73 C ATOM 0 H THR A 22 32.430 18.814 12.191 1.00 49.53 H new ATOM 0 HA THR A 22 30.323 18.782 14.127 1.00 50.07 H new ATOM 0 HB THR A 22 32.239 18.545 15.732 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.348 18.250 14.740 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.941 16.317 14.932 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.193 16.568 14.709 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.296 16.696 13.318 1.00 49.73 H new ATOM 351 N ILE A 23 31.029 20.830 15.643 1.00 49.53 N ATOM 352 CA ILE A 23 31.122 22.139 16.284 1.00 50.07 C ATOM 353 C ILE A 23 32.594 22.553 16.304 1.00 50.51 C ATOM 354 O ILE A 23 32.947 23.746 16.310 1.00 49.49 O ATOM 355 CB ILE A 23 30.568 22.120 17.720 1.00 49.91 C ATOM 356 CG1 ILE A 23 29.045 21.971 17.702 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.975 23.383 18.463 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.429 21.838 19.077 1.00 49.73 C ATOM 0 H ILE A 23 30.681 20.084 16.245 1.00 49.53 H new ATOM 0 HA ILE A 23 30.521 22.851 15.718 1.00 50.07 H new ATOM 0 HB ILE A 23 30.991 21.263 18.244 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.610 22.836 17.201 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.782 21.095 17.110 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.575 23.354 19.477 1.00 49.73 H new ATOM 0 HG22 ILE A 23 32.062 23.447 18.503 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.579 24.255 17.942 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.348 21.737 18.983 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.834 20.956 19.574 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.660 22.725 19.667 1.00 49.73 H new ATOM 370 N GLU A 24 33.474 21.579 16.355 1.00 49.53 N ATOM 371 CA GLU A 24 34.943 21.882 16.312 1.00 50.07 C ATOM 372 C GLU A 24 35.574 22.370 15.030 1.00 50.51 C ATOM 373 O GLU A 24 36.736 22.843 15.018 1.00 49.49 O ATOM 374 CB GLU A 24 35.720 20.654 16.792 1.00 49.82 C ATOM 375 CG GLU A 24 35.675 20.432 18.298 1.00 49.72 C ATOM 376 CD GLU A 24 36.514 21.447 19.024 1.00 50.62 C ATOM 377 OE1 GLU A 24 37.214 22.186 18.375 1.00 49.24 O ATOM 378 OE2 GLU A 24 36.371 21.560 20.219 1.00 49.24 O ATOM 0 H GLU A 24 33.239 20.589 16.424 1.00 49.53 H new ATOM 0 HA GLU A 24 35.011 22.755 16.961 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.322 19.770 16.294 1.00 49.82 H new ATOM 0 HB3 GLU A 24 36.760 20.753 16.482 1.00 49.82 H new ATOM 0 HG2 GLU A 24 34.644 20.493 18.646 1.00 49.72 H new ATOM 0 HG3 GLU A 24 36.031 19.429 18.531 1.00 49.72 H new ATOM 385 N ASN A 25 34.865 22.217 13.924 1.00 49.53 N ATOM 386 CA ASN A 25 35.317 22.621 12.588 1.00 50.07 C ATOM 387 C ASN A 25 35.081 24.116 12.372 1.00 50.51 C ATOM 388 O ASN A 25 35.990 24.851 11.936 1.00 49.49 O ATOM 389 CB ASN A 25 34.632 21.816 11.499 1.00 49.82 C ATOM 390 CG ASN A 25 35.112 22.142 10.112 1.00 50.55 C ATOM 391 OD1 ASN A 25 34.964 23.271 9.632 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.611 21.138 9.437 1.00 49.38 N ATOM 0 H ASN A 25 33.935 21.799 13.922 1.00 49.53 H new ATOM 0 HA ASN A 25 36.387 22.420 12.527 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.792 20.755 11.689 1.00 49.82 H new ATOM 0 HB3 ASN A 25 33.557 21.991 11.552 1.00 49.82 H new ATOM 0 HD21 ASN A 25 35.899 21.268 8.467 1.00 49.38 H new ATOM 0 HD22 ASN A 25 35.712 20.225 9.881 1.00 49.38 H new ATOM 399 N VAL A 26 33.850 24.516 12.658 1.00 49.53 N ATOM 400 CA VAL A 26 33.478 25.921 12.532 1.00 50.07 C ATOM 401 C VAL A 26 34.455 26.747 13.361 1.00 50.51 C ATOM 402 O VAL A 26 34.946 27.792 12.922 1.00 49.49 O ATOM 403 CB VAL A 26 32.039 26.182 13.015 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.755 27.676 13.059 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.038 25.478 12.111 1.00 49.73 C ATOM 0 H VAL A 26 33.101 23.900 12.974 1.00 49.53 H new ATOM 0 HA VAL A 26 33.521 26.202 11.480 1.00 50.07 H new ATOM 0 HB VAL A 26 31.936 25.781 14.023 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.734 27.842 13.402 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.452 28.159 13.745 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.876 28.099 12.062 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.026 25.673 12.467 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.143 25.851 11.092 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.227 24.405 12.125 1.00 49.73 H new ATOM 415 N LYS A 27 34.728 26.274 14.572 1.00 49.53 N ATOM 416 CA LYS A 27 35.651 26.985 15.468 1.00 50.07 C ATOM 417 C LYS A 27 36.960 27.192 14.725 1.00 50.51 C ATOM 418 O LYS A 27 37.632 28.229 14.955 1.00 49.49 O ATOM 419 CB LYS A 27 35.881 26.194 16.757 1.00 49.82 C ATOM 420 CG LYS A 27 34.683 26.161 17.697 1.00 49.82 C ATOM 421 CD LYS A 27 35.058 25.579 19.051 1.00 49.82 C ATOM 422 CE LYS A 27 33.857 25.526 19.984 1.00 50.21 C ATOM 423 NZ LYS A 27 34.203 24.936 21.305 1.00 49.70 N ATOM 0 H LYS A 27 34.334 25.416 14.957 1.00 49.53 H new ATOM 0 HA LYS A 27 35.224 27.947 15.753 1.00 50.07 H new ATOM 0 HB2 LYS A 27 36.152 25.171 16.497 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.731 26.624 17.286 1.00 49.82 H new ATOM 0 HG2 LYS A 27 34.293 27.170 17.828 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.885 25.567 17.252 1.00 49.82 H new ATOM 0 HD2 LYS A 27 35.462 24.575 18.918 1.00 49.82 H new ATOM 0 HD3 LYS A 27 35.845 26.182 19.503 1.00 49.82 H new ATOM 0 HE2 LYS A 27 33.465 26.533 20.128 1.00 50.21 H new ATOM 0 HE3 LYS A 27 33.064 24.939 19.521 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 33.506 24.204 21.551 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 35.151 24.510 21.258 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 34.194 25.681 22.031 1.00 49.70 H new ATOM 437 N ALA A 28 37.359 26.246 13.900 1.00 49.53 N ATOM 438 CA ALA A 28 38.572 26.381 13.085 1.00 50.07 C ATOM 439 C ALA A 28 38.374 27.474 12.050 1.00 50.51 C ATOM 440 O ALA A 28 39.236 28.409 11.920 1.00 49.49 O ATOM 441 CB ALA A 28 38.921 25.042 12.407 1.00 49.73 C ATOM 0 H ALA A 28 36.863 25.364 13.768 1.00 49.53 H new ATOM 0 HA ALA A 28 39.406 26.656 13.731 1.00 50.07 H new ATOM 0 HB1 ALA A 28 39.823 25.162 11.807 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.091 24.282 13.169 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.096 24.734 11.764 1.00 49.73 H new ATOM 447 N LYS A 29 37.281 27.462 11.302 1.00 49.53 N ATOM 448 CA LYS A 29 36.986 28.543 10.339 1.00 50.07 C ATOM 449 C LYS A 29 37.069 29.967 10.920 1.00 50.51 C ATOM 450 O LYS A 29 37.570 30.932 10.292 1.00 49.49 O ATOM 451 CB LYS A 29 35.605 28.327 9.720 1.00 49.82 C ATOM 452 CG LYS A 29 35.500 27.096 8.830 1.00 49.82 C ATOM 453 CD LYS A 29 36.512 27.146 7.695 1.00 49.82 C ATOM 454 CE LYS A 29 36.387 25.931 6.787 1.00 50.21 C ATOM 455 NZ LYS A 29 36.829 24.682 7.465 1.00 49.70 N ATOM 0 H LYS A 29 36.578 26.724 11.334 1.00 49.53 H new ATOM 0 HA LYS A 29 37.771 28.481 9.585 1.00 50.07 H new ATOM 0 HB2 LYS A 29 34.870 28.245 10.521 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.341 29.207 9.134 1.00 49.82 H new ATOM 0 HG2 LYS A 29 35.664 26.198 9.426 1.00 49.82 H new ATOM 0 HG3 LYS A 29 34.493 27.027 8.419 1.00 49.82 H new ATOM 0 HD2 LYS A 29 36.363 28.055 7.112 1.00 49.82 H new ATOM 0 HD3 LYS A 29 37.520 27.193 8.106 1.00 49.82 H new ATOM 0 HE2 LYS A 29 35.351 25.823 6.467 1.00 50.21 H new ATOM 0 HE3 LYS A 29 36.984 26.087 5.888 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 36.988 23.939 6.755 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 37.713 24.862 7.982 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 36.095 24.371 8.133 1.00 49.70 H new ATOM 469 N ILE A 30 36.633 30.104 12.172 1.00 49.53 N ATOM 470 CA ILE A 30 36.674 31.430 12.816 1.00 50.07 C ATOM 471 C ILE A 30 38.142 31.619 13.220 1.00 50.51 C ATOM 472 O ILE A 30 38.662 32.757 13.156 1.00 49.49 O ATOM 473 CB ILE A 30 35.766 31.511 14.057 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.302 31.304 13.661 1.00 49.82 C ATOM 475 CG2 ILE A 30 35.946 32.847 14.760 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.400 30.948 14.820 1.00 49.73 C ATOM 0 H ILE A 30 36.260 29.349 12.748 1.00 49.53 H new ATOM 0 HA ILE A 30 36.311 32.204 12.139 1.00 50.07 H new ATOM 0 HB ILE A 30 36.051 30.718 14.748 1.00 49.91 H new ATOM 0 HG12 ILE A 30 33.931 32.214 13.190 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.246 30.513 12.913 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.297 32.888 15.635 1.00 49.73 H new ATOM 0 HG22 ILE A 30 36.984 32.957 15.073 1.00 49.73 H new ATOM 0 HG23 ILE A 30 35.686 33.656 14.077 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.379 30.817 14.460 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.745 30.021 15.278 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.424 31.749 15.559 1.00 49.73 H new ATOM 488 N GLN A 31 38.781 30.602 13.741 1.00 49.53 N ATOM 489 CA GLN A 31 40.217 30.782 14.123 1.00 50.07 C ATOM 490 C GLN A 31 41.064 31.318 12.957 1.00 50.51 C ATOM 491 O GLN A 31 42.137 31.955 13.067 1.00 49.49 O ATOM 492 CB GLN A 31 40.807 29.459 14.620 1.00 49.82 C ATOM 493 CG GLN A 31 42.286 29.526 14.959 1.00 49.82 C ATOM 494 CD GLN A 31 42.920 28.151 15.056 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.151 27.693 16.281 1.00 49.45 O flip ATOM 496 NE2 GLN A 31 43.196 27.506 14.041 1.00 49.38 N flip ATOM 0 H GLN A 31 38.385 29.678 13.915 1.00 49.53 H new ATOM 0 HA GLN A 31 40.244 31.521 14.924 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.257 29.138 15.505 1.00 49.82 H new ATOM 0 HB3 GLN A 31 40.655 28.696 13.856 1.00 49.82 H new ATOM 0 HG2 GLN A 31 42.804 30.109 14.198 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.416 30.050 15.906 1.00 49.82 H new ATOM 0 HE21 GLN A 31 43.001 27.897 13.119 1.00 49.38 H new ATOM 0 HE22 GLN A 31 43.619 26.582 14.124 1.00 49.38 H new ATOM 505 N ASP A 32 40.789 30.752 11.806 1.00 49.53 N ATOM 506 CA ASP A 32 41.503 31.167 10.576 1.00 50.07 C ATOM 507 C ASP A 32 41.486 32.611 10.122 1.00 50.51 C ATOM 508 O ASP A 32 42.491 33.195 9.656 1.00 49.49 O ATOM 509 CB ASP A 32 41.029 30.296 9.410 1.00 49.72 C ATOM 510 CG ASP A 32 41.517 28.855 9.462 1.00 50.62 C ATOM 511 OD1 ASP A 32 42.685 28.652 9.699 1.00 49.24 O ATOM 512 OD2 ASP A 32 40.696 27.969 9.423 1.00 49.24 O ATOM 0 H ASP A 32 40.095 30.016 11.674 1.00 49.53 H new ATOM 0 HA ASP A 32 42.542 31.031 10.876 1.00 50.07 H new ATOM 0 HB2 ASP A 32 39.939 30.297 9.391 1.00 49.72 H new ATOM 0 HB3 ASP A 32 41.364 30.747 8.476 1.00 49.72 H new ATOM 517 N LYS A 33 40.317 33.273 10.211 1.00 49.53 N ATOM 518 CA LYS A 33 40.297 34.659 9.667 1.00 50.07 C ATOM 519 C LYS A 33 40.262 35.707 10.722 1.00 50.51 C ATOM 520 O LYS A 33 40.649 36.878 10.383 1.00 49.49 O ATOM 521 CB LYS A 33 39.106 34.836 8.724 1.00 49.82 C ATOM 522 CG LYS A 33 38.988 33.763 7.651 1.00 49.82 C ATOM 523 CD LYS A 33 40.031 33.953 6.560 1.00 49.82 C ATOM 524 CE LYS A 33 39.901 32.892 5.478 1.00 50.21 C ATOM 525 NZ LYS A 33 40.951 33.031 4.433 1.00 49.70 N ATOM 0 H LYS A 33 39.447 32.922 10.612 1.00 49.53 H new ATOM 0 HA LYS A 33 41.233 34.790 9.124 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.189 34.845 9.314 1.00 49.82 H new ATOM 0 HB3 LYS A 33 39.183 35.810 8.240 1.00 49.82 H new ATOM 0 HG2 LYS A 33 39.108 32.779 8.104 1.00 49.82 H new ATOM 0 HG3 LYS A 33 37.991 33.793 7.212 1.00 49.82 H new ATOM 0 HD2 LYS A 33 39.920 34.943 6.117 1.00 49.82 H new ATOM 0 HD3 LYS A 33 41.029 33.909 6.997 1.00 49.82 H new ATOM 0 HE2 LYS A 33 39.968 31.903 5.930 1.00 50.21 H new ATOM 0 HE3 LYS A 33 38.917 32.965 5.015 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 40.827 32.289 3.715 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 40.871 33.965 3.983 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 41.890 32.936 4.870 1.00 49.70 H new ATOM 539 N GLU A 34 39.966 35.456 11.967 1.00 49.53 N ATOM 540 CA GLU A 34 39.921 36.435 13.028 1.00 50.07 C ATOM 541 C GLU A 34 40.897 36.307 14.171 1.00 50.51 C ATOM 542 O GLU A 34 40.862 37.124 15.097 1.00 49.49 O ATOM 543 CB GLU A 34 38.503 36.494 13.602 1.00 49.82 C ATOM 544 CG GLU A 34 37.480 37.142 12.681 1.00 49.72 C ATOM 545 CD GLU A 34 36.078 36.905 13.171 1.00 50.62 C ATOM 546 OE1 GLU A 34 35.922 36.252 14.174 1.00 49.24 O ATOM 547 OE2 GLU A 34 35.170 37.470 12.608 1.00 49.24 O ATOM 0 H GLU A 34 39.737 34.516 12.290 1.00 49.53 H new ATOM 0 HA GLU A 34 40.234 37.350 12.525 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.175 35.481 13.834 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.527 37.044 14.543 1.00 49.82 H new ATOM 0 HG2 GLU A 34 37.670 38.214 12.619 1.00 49.72 H new ATOM 0 HG3 GLU A 34 37.588 36.741 11.673 1.00 49.72 H new ATOM 554 N GLY A 35 41.593 35.186 14.262 1.00 49.53 N ATOM 555 CA GLY A 35 42.605 34.976 15.263 1.00 49.98 C ATOM 556 C GLY A 35 42.094 34.583 16.593 1.00 50.51 C ATOM 557 O GLY A 35 42.772 34.826 17.625 1.00 49.49 O ATOM 0 H GLY A 35 41.464 34.393 13.633 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.289 34.204 14.910 1.00 49.98 H new ATOM 0 HA3 GLY A 35 43.186 35.892 15.369 1.00 49.98 H new ATOM 561 N ILE A 36 40.934 33.904 16.645 1.00 49.53 N ATOM 562 CA ILE A 36 40.411 33.497 17.958 1.00 50.07 C ATOM 563 C ILE A 36 40.516 32.012 18.258 1.00 50.51 C ATOM 564 O ILE A 36 39.930 31.176 17.548 1.00 49.49 O ATOM 565 CB ILE A 36 38.939 33.922 18.118 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.811 35.446 18.040 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.376 33.403 19.432 1.00 49.73 C ATOM 568 CD1 ILE A 36 37.389 35.946 18.153 1.00 49.73 C ATOM 0 H ILE A 36 40.368 33.638 15.840 1.00 49.53 H new ATOM 0 HA ILE A 36 41.053 34.011 18.673 1.00 50.07 H new ATOM 0 HB ILE A 36 38.362 33.487 17.302 1.00 49.91 H new ATOM 0 HG12 ILE A 36 39.407 35.892 18.836 1.00 49.82 H new ATOM 0 HG13 ILE A 36 39.233 35.789 17.095 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.335 33.712 19.529 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.434 32.315 19.448 1.00 49.73 H new ATOM 0 HG23 ILE A 36 38.954 33.810 20.262 1.00 49.73 H new ATOM 0 HD11 ILE A 36 37.380 37.034 18.089 1.00 49.73 H new ATOM 0 HD12 ILE A 36 36.791 35.530 17.342 1.00 49.73 H new ATOM 0 HD13 ILE A 36 36.969 35.635 19.110 1.00 49.73 H new ATOM 580 N PRO A 37 41.238 31.661 19.316 1.00 49.71 N ATOM 581 CA PRO A 37 41.402 30.262 19.751 1.00 50.02 C ATOM 582 C PRO A 37 40.055 29.617 20.017 1.00 50.51 C ATOM 583 O PRO A 37 39.205 30.264 20.682 1.00 49.49 O ATOM 584 CB PRO A 37 42.165 30.470 21.096 1.00 49.82 C ATOM 585 CG PRO A 37 42.974 31.708 20.849 1.00 49.82 C ATOM 586 CD PRO A 37 41.958 32.631 20.192 1.00 50.00 C ATOM 0 HA PRO A 37 41.901 29.620 19.025 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.478 30.599 21.932 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.799 29.616 21.334 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.367 32.129 21.774 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.827 31.514 20.199 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.297 33.104 20.918 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.431 33.431 19.623 1.00 50.00 H new ATOM 594 N PRO A 38 39.844 28.396 19.591 1.00 49.71 N ATOM 595 CA PRO A 38 38.546 27.736 19.812 1.00 50.02 C ATOM 596 C PRO A 38 38.153 27.662 21.263 1.00 50.51 C ATOM 597 O PRO A 38 36.948 27.713 21.632 1.00 49.49 O ATOM 598 CB PRO A 38 38.707 26.387 19.120 1.00 49.82 C ATOM 599 CG PRO A 38 39.718 26.684 18.016 1.00 49.82 C ATOM 600 CD PRO A 38 40.749 27.542 18.780 1.00 50.00 C ATOM 0 HA PRO A 38 37.709 28.297 19.396 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.072 25.623 19.806 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.762 26.026 18.715 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.160 25.776 17.607 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.270 27.224 17.182 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.414 26.938 19.398 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.380 28.126 18.110 1.00 50.00 H new ATOM 608 N ASP A 39 39.106 27.543 22.155 1.00 49.53 N ATOM 609 CA ASP A 39 38.794 27.407 23.604 1.00 50.07 C ATOM 610 C ASP A 39 38.322 28.737 24.179 1.00 50.51 C ATOM 611 O ASP A 39 37.914 28.857 25.368 1.00 49.49 O ATOM 612 CB ASP A 39 40.017 26.903 24.373 1.00 49.72 C ATOM 613 CG ASP A 39 40.468 25.500 23.989 1.00 50.62 C ATOM 614 OD1 ASP A 39 39.723 24.819 23.323 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.608 25.178 24.225 1.00 49.24 O ATOM 0 H ASP A 39 40.101 27.535 21.932 1.00 49.53 H new ATOM 0 HA ASP A 39 37.991 26.678 23.712 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.844 27.594 24.210 1.00 49.72 H new ATOM 0 HB3 ASP A 39 39.793 26.920 25.440 1.00 49.72 H new ATOM 620 N GLN A 40 38.262 29.757 23.342 1.00 49.53 N ATOM 621 CA GLN A 40 37.785 31.076 23.823 1.00 50.07 C ATOM 622 C GLN A 40 36.434 31.403 23.160 1.00 50.51 C ATOM 623 O GLN A 40 35.869 32.451 23.451 1.00 49.49 O ATOM 624 CB GLN A 40 38.805 32.173 23.504 1.00 49.82 C ATOM 625 CG GLN A 40 40.060 32.123 24.359 1.00 49.82 C ATOM 626 CD GLN A 40 41.010 33.266 24.059 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.610 34.143 23.145 1.00 49.45 O flip ATOM 628 NE2 GLN A 40 42.090 33.364 24.648 1.00 49.38 N flip ATOM 0 H GLN A 40 38.524 29.720 22.357 1.00 49.53 H new ATOM 0 HA GLN A 40 37.661 31.032 24.905 1.00 50.07 H new ATOM 0 HB2 GLN A 40 39.090 32.095 22.455 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.329 33.145 23.633 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.780 32.154 25.412 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.572 31.175 24.193 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.357 32.667 25.343 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.716 34.142 24.440 1.00 49.38 H new ATOM 637 N GLN A 41 35.915 30.511 22.346 1.00 49.53 N ATOM 638 CA GLN A 41 34.684 30.712 21.622 1.00 50.07 C ATOM 639 C GLN A 41 33.518 30.000 22.277 1.00 50.51 C ATOM 640 O GLN A 41 33.452 28.792 22.443 1.00 49.49 O ATOM 641 CB GLN A 41 34.830 30.231 20.176 1.00 49.82 C ATOM 642 CG GLN A 41 36.011 30.835 19.436 1.00 49.82 C ATOM 643 CD GLN A 41 36.156 30.285 18.029 1.00 50.55 C ATOM 644 OE1 GLN A 41 35.313 29.516 17.559 1.00 49.45 O ATOM 645 NE2 GLN A 41 37.230 30.672 17.352 1.00 49.38 N ATOM 0 H GLN A 41 36.349 29.605 22.166 1.00 49.53 H new ATOM 0 HA GLN A 41 34.476 31.782 21.634 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.931 29.146 20.174 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.915 30.467 19.632 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.892 31.917 19.389 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.926 30.639 19.996 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.901 31.309 17.781 1.00 49.38 H new ATOM 0 HE22 GLN A 41 37.384 30.332 16.403 1.00 49.38 H new ATOM 654 N ARG A 42 32.452 30.769 22.495 1.00 49.53 N ATOM 655 CA ARG A 42 31.159 30.187 22.972 1.00 50.07 C ATOM 656 C ARG A 42 30.184 30.348 21.826 1.00 50.51 C ATOM 657 O ARG A 42 30.122 31.520 21.275 1.00 49.49 O ATOM 658 CB ARG A 42 30.657 30.826 24.258 1.00 49.82 C ATOM 659 CG ARG A 42 31.627 30.762 25.426 1.00 49.82 C ATOM 660 CD ARG A 42 31.327 31.714 26.526 1.00 50.20 C ATOM 661 NE ARG A 42 30.085 31.446 27.232 1.00 49.30 N ATOM 662 CZ ARG A 42 29.538 32.263 28.153 1.00 50.64 C ATOM 663 NH1 ARG A 42 30.134 33.380 28.509 1.00 49.20 N ATOM 664 NH2 ARG A 42 28.395 31.901 28.709 1.00 49.20 N ATOM 0 H ARG A 42 32.437 31.780 22.358 1.00 49.53 H new ATOM 0 HA ARG A 42 31.285 29.137 23.237 1.00 50.07 H new ATOM 0 HB2 ARG A 42 30.420 31.871 24.059 1.00 49.82 H new ATOM 0 HB3 ARG A 42 29.727 30.338 24.550 1.00 49.82 H new ATOM 0 HG2 ARG A 42 31.626 29.749 25.828 1.00 49.82 H new ATOM 0 HG3 ARG A 42 32.634 30.957 25.057 1.00 49.82 H new ATOM 0 HD2 ARG A 42 32.149 31.694 27.242 1.00 50.20 H new ATOM 0 HD3 ARG A 42 31.287 32.723 26.116 1.00 50.20 H new ATOM 0 HE ARG A 42 29.593 30.579 27.015 1.00 49.30 H new ATOM 0 HH11 ARG A 42 31.025 33.640 28.086 1.00 49.20 H new ATOM 0 HH12 ARG A 42 29.705 33.987 29.208 1.00 49.20 H new ATOM 0 HH21 ARG A 42 27.951 31.024 28.438 1.00 49.20 H new ATOM 0 HH22 ARG A 42 27.957 32.499 29.410 1.00 49.20 H new ATOM 678 N LEU A 43 29.508 29.287 21.386 1.00 49.53 N ATOM 679 CA LEU A 43 28.584 29.395 20.228 1.00 50.07 C ATOM 680 C LEU A 43 27.210 29.244 20.874 1.00 50.51 C ATOM 681 O LEU A 43 27.066 28.423 21.788 1.00 49.49 O ATOM 682 CB LEU A 43 28.852 28.293 19.195 1.00 49.82 C ATOM 683 CG LEU A 43 30.160 28.441 18.408 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.350 27.247 17.481 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.133 29.739 17.614 1.00 49.73 C ATOM 0 H LEU A 43 29.571 28.355 21.796 1.00 49.53 H new ATOM 0 HA LEU A 43 28.693 30.327 19.673 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.862 27.331 19.708 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.022 28.269 18.489 1.00 49.82 H new ATOM 0 HG LEU A 43 31.000 28.472 19.103 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.281 27.361 16.927 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.389 26.331 18.071 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.516 27.193 16.782 1.00 49.73 H new ATOM 0 HD21 LEU A 43 31.063 29.843 17.055 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.293 29.724 16.920 1.00 49.73 H new ATOM 0 HD23 LEU A 43 30.024 30.581 18.297 1.00 49.73 H new ATOM 697 N ILE A 44 26.278 30.093 20.452 1.00 49.53 N ATOM 698 CA ILE A 44 24.926 30.122 21.000 1.00 50.07 C ATOM 699 C ILE A 44 23.871 30.153 19.900 1.00 50.51 C ATOM 700 O ILE A 44 23.869 30.995 19.026 1.00 49.49 O ATOM 701 CB ILE A 44 24.720 31.333 21.927 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.691 31.271 23.111 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.282 31.390 22.417 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.710 32.527 23.950 1.00 49.73 C ATOM 0 H ILE A 44 26.440 30.783 19.718 1.00 49.53 H new ATOM 0 HA ILE A 44 24.809 29.204 21.577 1.00 50.07 H new ATOM 0 HB ILE A 44 24.925 32.241 21.361 1.00 49.91 H new ATOM 0 HG12 ILE A 44 25.423 30.426 23.745 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.696 31.081 22.735 1.00 49.82 H new ATOM 0 HG21 ILE A 44 23.154 32.252 23.071 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.610 31.479 21.563 1.00 49.73 H new ATOM 0 HG23 ILE A 44 23.049 30.479 22.968 1.00 49.73 H new ATOM 0 HD11 ILE A 44 26.420 32.407 24.768 1.00 49.73 H new ATOM 0 HD12 ILE A 44 26.008 33.373 23.331 1.00 49.73 H new ATOM 0 HD13 ILE A 44 24.715 32.708 24.357 1.00 49.73 H new ATOM 716 N PHE A 45 22.991 29.116 19.932 1.00 49.53 N ATOM 717 CA PHE A 45 21.879 29.022 18.973 1.00 50.07 C ATOM 718 C PHE A 45 20.575 29.033 19.793 1.00 50.51 C ATOM 719 O PHE A 45 20.084 28.007 20.264 1.00 49.49 O ATOM 720 CB PHE A 45 21.984 27.748 18.133 1.00 49.82 C ATOM 721 CG PHE A 45 20.933 27.638 17.066 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.879 28.556 16.028 1.00 49.88 C ATOM 723 CD2 PHE A 45 19.995 26.617 17.097 1.00 49.88 C ATOM 724 CE1 PHE A 45 19.912 28.456 15.045 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.028 26.513 16.116 1.00 49.88 C ATOM 726 CZ PHE A 45 18.988 27.434 15.089 1.00 49.88 C ATOM 0 H PHE A 45 23.036 28.350 20.604 1.00 49.53 H new ATOM 0 HA PHE A 45 21.903 29.859 18.275 1.00 50.07 H new ATOM 0 HB2 PHE A 45 22.968 27.712 17.666 1.00 49.82 H new ATOM 0 HB3 PHE A 45 21.912 26.883 18.792 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.601 29.358 15.987 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.021 25.894 17.899 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.881 29.178 14.243 1.00 49.88 H new ATOM 0 HE2 PHE A 45 18.304 25.712 16.153 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.233 27.354 14.320 1.00 49.88 H new ATOM 736 N ALA A 46 20.109 30.246 19.967 1.00 49.53 N ATOM 737 CA ALA A 46 18.842 30.533 20.670 1.00 50.07 C ATOM 738 C ALA A 46 18.836 29.996 22.093 1.00 50.51 C ATOM 739 O ALA A 46 18.258 28.940 22.390 1.00 49.49 O ATOM 740 CB ALA A 46 17.687 29.977 19.900 1.00 49.73 C ATOM 0 H ALA A 46 20.588 31.081 19.629 1.00 49.53 H new ATOM 0 HA ALA A 46 18.746 31.617 20.735 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.759 30.195 20.428 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.657 30.432 18.910 1.00 49.73 H new ATOM 0 HB3 ALA A 46 17.802 28.898 19.799 1.00 49.73 H new ATOM 746 N GLY A 47 19.525 30.706 22.937 1.00 49.53 N ATOM 747 CA GLY A 47 19.729 30.475 24.336 1.00 49.98 C ATOM 748 C GLY A 47 19.942 29.023 24.679 1.00 50.51 C ATOM 749 O GLY A 47 19.592 28.595 25.802 1.00 49.49 O ATOM 0 H GLY A 47 20.008 31.550 22.629 1.00 49.53 H new ATOM 0 HA2 GLY A 47 20.593 31.050 24.669 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.866 30.848 24.888 1.00 49.98 H new ATOM 753 N LYS A 48 20.540 28.265 23.800 1.00 49.53 N ATOM 754 CA LYS A 48 20.842 26.851 24.053 1.00 50.07 C ATOM 755 C LYS A 48 22.370 26.797 23.878 1.00 50.51 C ATOM 756 O LYS A 48 22.831 26.972 22.759 1.00 49.49 O ATOM 757 CB LYS A 48 20.129 25.933 23.059 1.00 49.82 C ATOM 758 CG LYS A 48 20.359 24.446 23.297 1.00 49.82 C ATOM 759 CD LYS A 48 19.672 23.603 22.234 1.00 49.82 C ATOM 760 CE LYS A 48 18.158 23.674 22.363 1.00 50.21 C ATOM 761 NZ LYS A 48 17.472 22.824 21.349 1.00 49.70 N ATOM 0 H LYS A 48 20.839 28.595 22.882 1.00 49.53 H new ATOM 0 HA LYS A 48 20.506 26.508 25.032 1.00 50.07 H new ATOM 0 HB2 LYS A 48 19.058 26.134 23.102 1.00 49.82 H new ATOM 0 HB3 LYS A 48 20.460 26.182 22.051 1.00 49.82 H new ATOM 0 HG2 LYS A 48 21.429 24.236 23.295 1.00 49.82 H new ATOM 0 HG3 LYS A 48 19.982 24.171 24.282 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.971 23.948 21.244 1.00 49.82 H new ATOM 0 HD3 LYS A 48 19.998 22.567 22.322 1.00 49.82 H new ATOM 0 HE2 LYS A 48 17.864 23.355 23.363 1.00 50.21 H new ATOM 0 HE3 LYS A 48 17.832 24.708 22.250 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 16.442 22.901 21.471 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 17.732 23.144 20.394 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 17.762 21.833 21.473 1.00 49.70 H new ATOM 775 N GLN A 49 23.097 26.553 24.935 1.00 49.53 N ATOM 776 CA GLN A 49 24.571 26.371 24.806 1.00 50.07 C ATOM 777 C GLN A 49 24.917 25.057 24.112 1.00 50.51 C ATOM 778 O GLN A 49 24.459 23.986 24.588 1.00 49.49 O ATOM 779 CB GLN A 49 25.236 26.416 26.184 1.00 49.82 C ATOM 780 CG GLN A 49 26.754 26.485 26.141 1.00 49.82 C ATOM 781 CD GLN A 49 27.257 27.642 25.301 1.00 50.55 C ATOM 782 OE1 GLN A 49 27.935 27.446 24.288 1.00 49.45 O ATOM 783 NE2 GLN A 49 26.931 28.861 25.718 1.00 49.38 N ATOM 0 H GLN A 49 22.732 26.472 25.884 1.00 49.53 H new ATOM 0 HA GLN A 49 24.949 27.189 24.193 1.00 50.07 H new ATOM 0 HB2 GLN A 49 24.859 27.282 26.729 1.00 49.82 H new ATOM 0 HB3 GLN A 49 24.939 25.531 26.747 1.00 49.82 H new ATOM 0 HG2 GLN A 49 27.139 26.582 27.156 1.00 49.82 H new ATOM 0 HG3 GLN A 49 27.146 25.551 25.739 1.00 49.82 H new ATOM 0 HE21 GLN A 49 26.369 28.978 26.561 1.00 49.38 H new ATOM 0 HE22 GLN A 49 27.243 29.679 25.195 1.00 49.38 H new ATOM 792 N LEU A 50 25.661 25.110 23.033 1.00 49.53 N ATOM 793 CA LEU A 50 25.983 23.915 22.236 1.00 50.07 C ATOM 794 C LEU A 50 27.075 23.051 22.843 1.00 50.51 C ATOM 795 O LEU A 50 28.021 23.613 23.356 1.00 49.49 O ATOM 796 CB LEU A 50 26.376 24.331 20.813 1.00 49.82 C ATOM 797 CG LEU A 50 25.360 25.222 20.089 1.00 49.91 C ATOM 798 CD1 LEU A 50 25.907 25.639 18.731 1.00 49.73 C ATOM 799 CD2 LEU A 50 24.046 24.472 19.932 1.00 49.73 C ATOM 0 H LEU A 50 26.067 25.973 22.670 1.00 49.53 H new ATOM 0 HA LEU A 50 25.082 23.302 22.220 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.330 24.856 20.856 1.00 49.82 H new ATOM 0 HB3 LEU A 50 26.534 23.431 20.219 1.00 49.82 H new ATOM 0 HG LEU A 50 25.182 26.122 20.677 1.00 49.91 H new ATOM 0 HD11 LEU A 50 25.178 26.272 18.224 1.00 49.73 H new ATOM 0 HD12 LEU A 50 26.836 26.193 18.867 1.00 49.73 H new ATOM 0 HD13 LEU A 50 26.099 24.752 18.128 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.324 25.106 19.417 1.00 49.73 H new ATOM 0 HD22 LEU A 50 24.212 23.565 19.350 1.00 49.73 H new ATOM 0 HD23 LEU A 50 23.659 24.206 20.916 1.00 49.73 H new ATOM 811 N GLU A 51 26.912 21.728 22.784 1.00 49.53 N ATOM 812 CA GLU A 51 27.905 20.821 23.396 1.00 50.07 C ATOM 813 C GLU A 51 29.063 20.469 22.503 1.00 50.51 C ATOM 814 O GLU A 51 28.853 19.821 21.479 1.00 49.49 O ATOM 815 CB GLU A 51 27.218 19.538 23.869 1.00 49.82 C ATOM 816 CG GLU A 51 28.141 18.555 24.578 1.00 49.72 C ATOM 817 CD GLU A 51 27.360 17.455 25.241 1.00 50.62 C ATOM 818 OE1 GLU A 51 26.155 17.481 25.170 1.00 49.24 O ATOM 819 OE2 GLU A 51 27.969 16.530 25.724 1.00 49.24 O ATOM 0 H GLU A 51 26.125 21.262 22.332 1.00 49.53 H new ATOM 0 HA GLU A 51 28.327 21.372 24.236 1.00 50.07 H new ATOM 0 HB2 GLU A 51 26.403 19.804 24.543 1.00 49.82 H new ATOM 0 HB3 GLU A 51 26.770 19.041 23.008 1.00 49.82 H new ATOM 0 HG2 GLU A 51 28.840 18.126 23.860 1.00 49.72 H new ATOM 0 HG3 GLU A 51 28.735 19.083 25.324 1.00 49.72 H new ATOM 826 N ASP A 52 30.273 20.853 22.826 1.00 49.53 N ATOM 827 CA ASP A 52 31.479 20.664 22.026 1.00 50.07 C ATOM 828 C ASP A 52 31.651 19.338 21.306 1.00 50.51 C ATOM 829 O ASP A 52 32.529 19.252 20.401 1.00 49.49 O ATOM 830 CB ASP A 52 32.711 20.916 22.897 1.00 49.72 C ATOM 831 CG ASP A 52 32.882 22.363 23.343 1.00 50.62 C ATOM 832 OD1 ASP A 52 32.471 23.239 22.620 1.00 49.24 O ATOM 833 OD2 ASP A 52 33.276 22.573 24.465 1.00 49.24 O ATOM 0 H ASP A 52 30.464 21.335 23.704 1.00 49.53 H new ATOM 0 HA ASP A 52 31.363 21.389 21.220 1.00 50.07 H new ATOM 0 HB2 ASP A 52 32.652 20.281 23.781 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.600 20.612 22.344 1.00 49.72 H new ATOM 838 N GLY A 53 30.970 18.306 21.752 1.00 49.53 N ATOM 839 CA GLY A 53 31.071 16.941 21.202 1.00 49.98 C ATOM 840 C GLY A 53 29.992 16.462 20.289 1.00 50.51 C ATOM 841 O GLY A 53 30.023 15.304 19.813 1.00 49.49 O ATOM 0 H GLY A 53 30.310 18.378 22.526 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.017 16.869 20.665 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.127 16.248 22.042 1.00 49.98 H new ATOM 845 N ARG A 54 29.009 17.291 19.957 1.00 49.53 N ATOM 846 CA ARG A 54 27.950 16.913 18.999 1.00 50.07 C ATOM 847 C ARG A 54 28.290 17.441 17.613 1.00 50.51 C ATOM 848 O ARG A 54 29.317 18.129 17.430 1.00 49.49 O ATOM 849 CB ARG A 54 26.571 17.369 19.453 1.00 49.82 C ATOM 850 CG ARG A 54 26.029 16.648 20.677 1.00 49.82 C ATOM 851 CD ARG A 54 25.291 15.395 20.373 1.00 50.20 C ATOM 852 NE ARG A 54 26.140 14.248 20.096 1.00 49.30 N ATOM 853 CZ ARG A 54 26.749 13.500 21.038 1.00 50.64 C ATOM 854 NH1 ARG A 54 26.638 13.797 22.314 1.00 49.20 N ATOM 855 NH2 ARG A 54 27.482 12.474 20.643 1.00 49.20 N ATOM 0 H ARG A 54 28.914 18.235 20.333 1.00 49.53 H new ATOM 0 HA ARG A 54 27.909 15.825 18.956 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.610 18.437 19.666 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.870 17.233 18.629 1.00 49.82 H new ATOM 0 HG2 ARG A 54 26.859 16.414 21.343 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.367 17.324 21.218 1.00 49.82 H new ATOM 0 HD2 ARG A 54 24.643 15.156 21.216 1.00 50.20 H new ATOM 0 HD3 ARG A 54 24.644 15.569 19.513 1.00 50.20 H new ATOM 0 HE ARG A 54 26.285 13.991 19.120 1.00 49.30 H new ATOM 0 HH11 ARG A 54 26.085 14.604 22.604 1.00 49.20 H new ATOM 0 HH12 ARG A 54 27.105 13.221 23.014 1.00 49.20 H new ATOM 0 HH21 ARG A 54 27.575 12.266 19.649 1.00 49.20 H new ATOM 0 HH22 ARG A 54 27.955 11.890 21.332 1.00 49.20 H new ATOM 869 N THR A 55 27.411 17.217 16.668 1.00 49.53 N ATOM 870 CA THR A 55 27.544 17.709 15.279 1.00 50.07 C ATOM 871 C THR A 55 26.524 18.840 15.010 1.00 50.51 C ATOM 872 O THR A 55 25.765 19.215 15.898 1.00 49.49 O ATOM 873 CB THR A 55 27.333 16.580 14.253 1.00 50.14 C ATOM 874 OG1 THR A 55 25.945 16.224 14.210 1.00 49.34 O ATOM 875 CG2 THR A 55 28.155 15.357 14.631 1.00 49.73 C ATOM 0 H THR A 55 26.559 16.679 16.825 1.00 49.53 H new ATOM 0 HA THR A 55 28.558 18.092 15.166 1.00 50.07 H new ATOM 0 HB THR A 55 27.655 16.933 13.273 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.811 15.507 13.556 1.00 49.34 H new ATOM 0 HG21 THR A 55 27.994 14.569 13.895 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.212 15.622 14.654 1.00 49.73 H new ATOM 0 HG23 THR A 55 27.849 15.003 15.615 1.00 49.73 H new ATOM 883 N LEU A 56 26.626 19.428 13.835 1.00 49.53 N ATOM 884 CA LEU A 56 25.693 20.482 13.397 1.00 50.07 C ATOM 885 C LEU A 56 24.340 19.893 13.008 1.00 50.51 C ATOM 886 O LEU A 56 23.387 20.623 12.978 1.00 49.49 O ATOM 887 CB LEU A 56 26.293 21.265 12.222 1.00 49.82 C ATOM 888 CG LEU A 56 27.606 21.997 12.527 1.00 49.91 C ATOM 889 CD1 LEU A 56 28.181 22.593 11.250 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.354 23.083 13.563 1.00 49.73 C ATOM 0 H LEU A 56 27.348 19.201 13.151 1.00 49.53 H new ATOM 0 HA LEU A 56 25.534 21.164 14.233 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.464 20.575 11.396 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.559 21.995 11.881 1.00 49.82 H new ATOM 0 HG LEU A 56 28.331 21.290 12.929 1.00 49.91 H new ATOM 0 HD11 LEU A 56 29.113 23.110 11.477 1.00 49.73 H new ATOM 0 HD12 LEU A 56 28.374 21.796 10.532 1.00 49.73 H new ATOM 0 HD13 LEU A 56 27.468 23.300 10.825 1.00 49.73 H new ATOM 0 HD21 LEU A 56 28.287 23.603 13.779 1.00 49.73 H new ATOM 0 HD22 LEU A 56 26.624 23.794 13.175 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.970 22.631 14.478 1.00 49.73 H new ATOM 902 N SER A 57 24.273 18.558 12.834 1.00 49.53 N ATOM 903 CA SER A 57 22.961 17.986 12.443 1.00 50.07 C ATOM 904 C SER A 57 21.984 17.653 13.549 1.00 50.51 C ATOM 905 O SER A 57 20.754 17.935 13.424 1.00 49.49 O ATOM 906 CB SER A 57 23.193 16.747 11.600 1.00 50.05 C ATOM 907 OG SER A 57 21.990 16.150 11.200 1.00 49.34 O ATOM 0 H SER A 57 25.042 17.897 12.946 1.00 49.53 H new ATOM 0 HA SER A 57 22.475 18.795 11.898 1.00 50.07 H new ATOM 0 HB2 SER A 57 23.776 17.013 10.718 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.783 16.028 12.168 1.00 50.05 H new ATOM 0 HG SER A 57 22.183 15.357 10.658 1.00 49.34 H new ATOM 913 N ASP A 58 22.478 17.096 14.641 1.00 49.53 N ATOM 914 CA ASP A 58 21.608 16.733 15.791 1.00 50.07 C ATOM 915 C ASP A 58 20.693 17.919 16.113 1.00 50.51 C ATOM 916 O ASP A 58 19.578 17.777 16.624 1.00 49.49 O ATOM 917 CB ASP A 58 22.448 16.354 17.012 1.00 49.72 C ATOM 918 CG ASP A 58 23.247 15.069 16.853 1.00 50.62 C ATOM 919 OD1 ASP A 58 22.688 14.096 16.403 1.00 49.24 O ATOM 920 OD2 ASP A 58 24.441 15.109 17.031 1.00 49.24 O ATOM 0 H ASP A 58 23.466 16.879 14.774 1.00 49.53 H new ATOM 0 HA ASP A 58 21.003 15.866 15.526 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.136 17.170 17.231 1.00 49.72 H new ATOM 0 HB3 ASP A 58 21.788 16.253 17.874 1.00 49.72 H new ATOM 925 N TYR A 59 21.243 19.092 15.981 1.00 49.53 N ATOM 926 CA TYR A 59 20.548 20.356 16.221 1.00 50.07 C ATOM 927 C TYR A 59 19.705 20.909 15.095 1.00 50.51 C ATOM 928 O TYR A 59 19.211 22.045 15.242 1.00 49.49 O ATOM 929 CB TYR A 59 21.562 21.420 16.649 1.00 49.82 C ATOM 930 CG TYR A 59 22.277 21.102 17.943 1.00 50.00 C ATOM 931 CD1 TYR A 59 23.404 20.292 17.954 1.00 49.88 C ATOM 932 CD2 TYR A 59 21.824 21.614 19.150 1.00 49.88 C ATOM 933 CE1 TYR A 59 24.060 19.997 19.133 1.00 49.88 C ATOM 934 CE2 TYR A 59 22.473 21.327 20.335 1.00 49.88 C ATOM 935 CZ TYR A 59 23.591 20.518 20.322 1.00 50.11 C ATOM 936 OH TYR A 59 24.242 20.229 21.501 1.00 49.46 O ATOM 0 H TYR A 59 22.215 19.215 15.696 1.00 49.53 H new ATOM 0 HA TYR A 59 19.828 20.112 17.002 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.301 21.542 15.858 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.048 22.375 16.755 1.00 49.82 H new ATOM 0 HD1 TYR A 59 23.774 19.885 17.025 1.00 49.88 H new ATOM 0 HD2 TYR A 59 20.949 22.247 19.163 1.00 49.88 H new ATOM 0 HE1 TYR A 59 24.934 19.363 19.125 1.00 49.88 H new ATOM 0 HE2 TYR A 59 22.108 21.733 21.267 1.00 49.88 H new ATOM 0 HH TYR A 59 23.785 20.674 22.245 1.00 49.46 H new ATOM 946 N ASN A 60 19.444 20.199 14.018 1.00 49.53 N ATOM 947 CA ASN A 60 18.613 20.779 12.943 1.00 50.07 C ATOM 948 C ASN A 60 19.078 22.124 12.400 1.00 50.51 C ATOM 949 O ASN A 60 18.349 22.805 11.652 1.00 49.49 O ATOM 950 CB ASN A 60 17.166 20.891 13.386 1.00 49.82 C ATOM 951 CG ASN A 60 16.477 19.563 13.546 1.00 50.55 C ATOM 952 OD1 ASN A 60 16.651 18.649 12.731 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.636 19.480 14.545 1.00 49.38 N ATOM 0 H ASN A 60 19.775 19.249 13.850 1.00 49.53 H new ATOM 0 HA ASN A 60 18.720 20.076 12.117 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.126 21.427 14.334 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.618 21.489 12.658 1.00 49.82 H new ATOM 0 HD21 ASN A 60 15.086 18.632 14.680 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.530 20.264 15.189 1.00 49.38 H new ATOM 960 N ILE A 61 20.313 22.486 12.683 1.00 49.53 N ATOM 961 CA ILE A 61 20.901 23.741 12.125 1.00 50.07 C ATOM 962 C ILE A 61 20.735 23.788 10.609 1.00 50.51 C ATOM 963 O ILE A 61 21.597 23.135 9.952 1.00 49.49 O ATOM 964 CB ILE A 61 22.395 23.871 12.475 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.587 23.895 13.994 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.983 25.122 11.841 1.00 49.73 C ATOM 967 CD1 ILE A 61 22.083 25.159 14.653 1.00 49.73 C ATOM 0 H ILE A 61 20.942 21.954 13.285 1.00 49.53 H new ATOM 0 HA ILE A 61 20.363 24.574 12.577 1.00 50.07 H new ATOM 0 HB ILE A 61 22.922 23.004 12.075 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.072 23.039 14.430 1.00 49.82 H new ATOM 0 HG13 ILE A 61 23.647 23.777 14.219 1.00 49.82 H new ATOM 0 HG21 ILE A 61 24.039 25.198 12.099 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.877 25.065 10.758 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.455 26.000 12.212 1.00 49.73 H new ATOM 0 HD11 ILE A 61 22.254 25.102 15.728 1.00 49.73 H new ATOM 0 HD12 ILE A 61 22.616 26.019 14.246 1.00 49.73 H new ATOM 0 HD13 ILE A 61 21.016 25.269 14.460 1.00 49.73 H new ATOM 979 N GLN A 62 19.665 24.343 10.114 1.00 49.53 N ATOM 980 CA GLN A 62 19.358 24.388 8.655 1.00 50.07 C ATOM 981 C GLN A 62 20.132 25.454 7.876 1.00 50.51 C ATOM 982 O GLN A 62 21.002 26.128 8.453 1.00 49.49 O ATOM 983 CB GLN A 62 17.856 24.602 8.442 1.00 49.82 C ATOM 984 CG GLN A 62 17.002 23.391 8.774 1.00 49.82 C ATOM 985 CD GLN A 62 15.548 23.585 8.385 1.00 50.55 C ATOM 986 OE1 GLN A 62 15.191 24.572 7.735 1.00 49.45 O ATOM 987 NE2 GLN A 62 14.699 22.645 8.784 1.00 49.38 N ATOM 0 H GLN A 62 18.954 24.790 10.693 1.00 49.53 H new ATOM 0 HA GLN A 62 19.679 23.424 8.260 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.529 25.442 9.055 1.00 49.82 H new ATOM 0 HB3 GLN A 62 17.684 24.880 7.402 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.400 22.517 8.259 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.065 23.187 9.843 1.00 49.82 H new ATOM 0 HE21 GLN A 62 15.038 21.846 9.320 1.00 49.38 H new ATOM 0 HE22 GLN A 62 13.708 22.722 8.555 1.00 49.38 H new ATOM 996 N LYS A 63 19.843 25.608 6.585 1.00 49.53 N ATOM 997 CA LYS A 63 20.552 26.538 5.733 1.00 50.07 C ATOM 998 C LYS A 63 20.118 27.928 6.191 1.00 50.51 C ATOM 999 O LYS A 63 18.994 28.180 6.592 1.00 49.49 O ATOM 1000 CB LYS A 63 20.209 26.312 4.259 1.00 49.82 C ATOM 1001 CG LYS A 63 21.191 26.946 3.282 1.00 49.82 C ATOM 1002 CD LYS A 63 21.048 26.351 1.889 1.00 49.82 C ATOM 1003 CE LYS A 63 19.896 26.993 1.128 1.00 50.21 C ATOM 1004 NZ LYS A 63 19.797 26.480 -0.266 1.00 49.70 N ATOM 0 H LYS A 63 19.108 25.087 6.107 1.00 49.53 H new ATOM 0 HA LYS A 63 21.631 26.408 5.813 1.00 50.07 H new ATOM 0 HB2 LYS A 63 20.166 25.240 4.068 1.00 49.82 H new ATOM 0 HB3 LYS A 63 19.213 26.710 4.065 1.00 49.82 H new ATOM 0 HG2 LYS A 63 21.021 28.022 3.239 1.00 49.82 H new ATOM 0 HG3 LYS A 63 22.210 26.798 3.640 1.00 49.82 H new ATOM 0 HD2 LYS A 63 21.976 26.491 1.334 1.00 49.82 H new ATOM 0 HD3 LYS A 63 20.882 25.276 1.966 1.00 49.82 H new ATOM 0 HE2 LYS A 63 18.961 26.799 1.653 1.00 50.21 H new ATOM 0 HE3 LYS A 63 20.032 28.074 1.108 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 19.001 26.942 -0.750 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 20.679 26.688 -0.776 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 19.642 25.452 -0.247 1.00 49.70 H new ATOM 1018 N GLU A 64 21.125 28.813 6.165 1.00 49.53 N ATOM 1019 CA GLU A 64 21.021 30.202 6.533 1.00 50.07 C ATOM 1020 C GLU A 64 20.761 30.386 7.998 1.00 50.51 C ATOM 1021 O GLU A 64 20.214 31.420 8.456 1.00 49.49 O ATOM 1022 CB GLU A 64 19.919 30.884 5.718 1.00 49.82 C ATOM 1023 CG GLU A 64 20.135 30.846 4.212 1.00 49.72 C ATOM 1024 CD GLU A 64 19.083 31.641 3.489 1.00 50.62 C ATOM 1025 OE1 GLU A 64 17.930 31.297 3.593 1.00 49.24 O ATOM 1026 OE2 GLU A 64 19.417 32.656 2.925 1.00 49.24 O ATOM 0 H GLU A 64 22.067 28.553 5.872 1.00 49.53 H new ATOM 0 HA GLU A 64 21.982 30.666 6.311 1.00 50.07 H new ATOM 0 HB2 GLU A 64 18.966 30.407 5.948 1.00 49.82 H new ATOM 0 HB3 GLU A 64 19.840 31.924 6.035 1.00 49.82 H new ATOM 0 HG2 GLU A 64 21.122 31.243 3.974 1.00 49.72 H new ATOM 0 HG3 GLU A 64 20.115 29.813 3.866 1.00 49.72 H new ATOM 1033 N SER A 65 21.284 29.452 8.776 1.00 49.53 N ATOM 1034 CA SER A 65 21.243 29.501 10.243 1.00 50.07 C ATOM 1035 C SER A 65 22.325 30.492 10.734 1.00 50.51 C ATOM 1036 O SER A 65 23.422 30.530 10.187 1.00 49.49 O ATOM 1037 CB SER A 65 21.467 28.120 10.828 1.00 50.05 C ATOM 1038 OG SER A 65 21.543 28.148 12.227 1.00 49.34 O ATOM 0 H SER A 65 21.756 28.625 8.410 1.00 49.53 H new ATOM 0 HA SER A 65 20.262 29.841 10.575 1.00 50.07 H new ATOM 0 HB2 SER A 65 20.655 27.461 10.522 1.00 50.05 H new ATOM 0 HB3 SER A 65 22.388 27.700 10.423 1.00 50.05 H new ATOM 0 HG SER A 65 20.645 28.270 12.601 1.00 49.34 H new ATOM 1044 N THR A 66 21.979 31.324 11.680 1.00 49.53 N ATOM 1045 CA THR A 66 22.926 32.259 12.299 1.00 50.07 C ATOM 1046 C THR A 66 23.539 31.648 13.559 1.00 50.51 C ATOM 1047 O THR A 66 22.836 30.872 14.245 1.00 49.49 O ATOM 1048 CB THR A 66 22.250 33.594 12.662 1.00 50.14 C ATOM 1049 OG1 THR A 66 21.008 33.339 13.330 1.00 49.34 O ATOM 1050 CG2 THR A 66 21.989 34.416 11.409 1.00 49.73 C ATOM 0 H THR A 66 21.033 31.385 12.056 1.00 49.53 H new ATOM 0 HA THR A 66 23.710 32.454 11.567 1.00 50.07 H new ATOM 0 HB THR A 66 22.915 34.154 13.320 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.580 34.190 13.562 1.00 49.34 H new ATOM 0 HG21 THR A 66 21.511 35.356 11.684 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.934 34.623 10.906 1.00 49.73 H new ATOM 0 HG23 THR A 66 21.335 33.859 10.738 1.00 49.73 H new ATOM 1058 N LEU A 67 24.826 31.907 13.812 1.00 49.53 N ATOM 1059 CA LEU A 67 25.444 31.442 15.060 1.00 50.07 C ATOM 1060 C LEU A 67 25.977 32.711 15.757 1.00 50.51 C ATOM 1061 O LEU A 67 26.789 33.370 15.088 1.00 49.49 O ATOM 1062 CB LEU A 67 26.574 30.444 14.775 1.00 49.82 C ATOM 1063 CG LEU A 67 26.131 29.117 14.148 1.00 49.91 C ATOM 1064 CD1 LEU A 67 27.346 28.255 13.835 1.00 49.73 C ATOM 1065 CD2 LEU A 67 25.189 28.394 15.100 1.00 49.73 C ATOM 0 H LEU A 67 25.447 32.422 13.188 1.00 49.53 H new ATOM 0 HA LEU A 67 24.729 30.914 15.691 1.00 50.07 H new ATOM 0 HB2 LEU A 67 27.296 30.918 14.111 1.00 49.82 H new ATOM 0 HB3 LEU A 67 27.093 30.230 15.710 1.00 49.82 H new ATOM 0 HG LEU A 67 25.604 29.315 13.215 1.00 49.91 H new ATOM 0 HD11 LEU A 67 27.020 27.315 13.390 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.995 28.782 13.136 1.00 49.73 H new ATOM 0 HD13 LEU A 67 27.894 28.050 14.755 1.00 49.73 H new ATOM 0 HD21 LEU A 67 24.874 27.451 14.654 1.00 49.73 H new ATOM 0 HD22 LEU A 67 25.703 28.197 16.041 1.00 49.73 H new ATOM 0 HD23 LEU A 67 24.314 29.016 15.288 1.00 49.73 H new ATOM 1077 N HIS A 68 25.556 32.966 16.943 1.00 49.53 N ATOM 1078 CA HIS A 68 26.081 34.152 17.664 1.00 50.07 C ATOM 1079 C HIS A 68 27.386 33.635 18.264 1.00 50.51 C ATOM 1080 O HIS A 68 27.502 32.439 18.604 1.00 49.49 O ATOM 1081 CB HIS A 68 25.115 34.633 18.752 1.00 49.92 C ATOM 1082 CG HIS A 68 25.618 35.815 19.522 1.00 50.22 C ATOM 1083 ND1 HIS A 68 26.173 36.919 18.911 1.00 49.30 N ATOM 1084 CD2 HIS A 68 25.651 36.063 20.853 1.00 49.95 C ATOM 1085 CE1 HIS A 68 26.525 37.798 19.834 1.00 50.25 C ATOM 1086 NE2 HIS A 68 26.218 37.303 21.019 1.00 49.64 N ATOM 0 H HIS A 68 24.870 32.410 17.454 1.00 49.53 H new ATOM 0 HA HIS A 68 26.217 35.018 17.016 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.161 34.890 18.291 1.00 49.92 H new ATOM 0 HB3 HIS A 68 24.924 33.813 19.445 1.00 49.92 H new ATOM 0 HD1 HIS A 68 26.293 37.039 17.905 1.00 49.30 H new ATOM 0 HD2 HIS A 68 25.298 35.409 21.636 1.00 49.95 H new ATOM 0 HE1 HIS A 68 26.985 38.758 19.650 1.00 50.25 H new ATOM 1094 N LEU A 69 28.346 34.526 18.452 1.00 49.53 N ATOM 1095 CA LEU A 69 29.613 34.176 19.087 1.00 50.07 C ATOM 1096 C LEU A 69 29.857 35.044 20.284 1.00 50.51 C ATOM 1097 O LEU A 69 29.936 36.310 20.094 1.00 49.49 O ATOM 1098 CB LEU A 69 30.765 34.310 18.082 1.00 49.82 C ATOM 1099 CG LEU A 69 32.172 34.236 18.690 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.395 32.872 19.327 1.00 49.73 C ATOM 1101 CD2 LEU A 69 33.208 34.501 17.607 1.00 49.73 C ATOM 0 H LEU A 69 28.274 35.504 18.173 1.00 49.53 H new ATOM 0 HA LEU A 69 29.561 33.139 19.420 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.667 33.523 17.334 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.662 35.261 17.559 1.00 49.82 H new ATOM 0 HG LEU A 69 32.273 34.995 19.466 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.396 32.830 19.755 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.657 32.712 20.113 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.292 32.095 18.569 1.00 49.73 H new ATOM 0 HD21 LEU A 69 34.207 34.448 18.039 1.00 49.73 H new ATOM 0 HD22 LEU A 69 33.112 33.752 16.821 1.00 49.73 H new ATOM 0 HD23 LEU A 69 33.047 35.493 17.184 1.00 49.73 H new ATOM 1113 N VAL A 70 29.789 34.531 21.468 1.00 49.53 N ATOM 1114 CA VAL A 70 30.129 35.329 22.682 1.00 50.07 C ATOM 1115 C VAL A 70 31.518 34.840 23.119 1.00 50.51 C ATOM 1116 O VAL A 70 31.746 33.610 23.157 1.00 49.49 O ATOM 1117 CB VAL A 70 29.114 35.125 23.822 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.452 36.023 25.002 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.700 35.398 23.332 1.00 49.73 C ATOM 0 H VAL A 70 29.506 33.570 21.659 1.00 49.53 H new ATOM 0 HA VAL A 70 30.110 36.395 22.454 1.00 50.07 H new ATOM 0 HB VAL A 70 29.169 34.087 24.151 1.00 49.91 H new ATOM 0 HG11 VAL A 70 28.725 35.866 25.799 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.450 35.782 25.369 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.424 37.066 24.685 1.00 49.73 H new ATOM 0 HG21 VAL A 70 26.996 35.249 24.151 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.630 36.426 22.976 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.459 34.715 22.517 1.00 49.73 H new ATOM 1129 N LEU A 71 32.418 35.751 23.408 1.00 49.53 N ATOM 1130 CA LEU A 71 33.771 35.367 23.869 1.00 50.07 C ATOM 1131 C LEU A 71 33.974 35.035 25.324 1.00 50.51 C ATOM 1132 O LEU A 71 33.282 35.573 26.211 1.00 49.49 O ATOM 1133 CB LEU A 71 34.763 36.466 23.469 1.00 49.82 C ATOM 1134 CG LEU A 71 35.073 36.553 21.970 1.00 49.91 C ATOM 1135 CD1 LEU A 71 36.161 37.589 21.719 1.00 49.73 C ATOM 1136 CD2 LEU A 71 35.504 35.185 21.460 1.00 49.73 C ATOM 0 H LEU A 71 32.260 36.756 23.340 1.00 49.53 H new ATOM 0 HA LEU A 71 33.939 34.412 23.371 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.368 37.427 23.798 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.697 36.304 24.008 1.00 49.82 H new ATOM 0 HG LEU A 71 34.177 36.863 21.432 1.00 49.91 H new ATOM 0 HD11 LEU A 71 36.373 37.642 20.651 1.00 49.73 H new ATOM 0 HD12 LEU A 71 35.823 38.564 22.071 1.00 49.73 H new ATOM 0 HD13 LEU A 71 37.066 37.303 22.255 1.00 49.73 H new ATOM 0 HD21 LEU A 71 35.724 35.247 20.394 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.396 34.861 21.997 1.00 49.73 H new ATOM 0 HD23 LEU A 71 34.701 34.466 21.623 1.00 49.73 H new ATOM 1148 N ARG A 72 34.916 34.219 25.616 1.00 49.53 N ATOM 1149 CA ARG A 72 35.273 33.844 27.001 1.00 50.07 C ATOM 1150 C ARG A 72 36.744 34.129 27.300 1.00 50.51 C ATOM 1151 O ARG A 72 37.511 33.150 27.032 1.00 49.49 O ATOM 1152 CB ARG A 72 34.912 32.399 27.315 1.00 49.82 C ATOM 1153 CG ARG A 72 35.069 32.003 28.774 1.00 49.82 C ATOM 1154 CD ARG A 72 34.963 30.543 29.027 1.00 50.20 C ATOM 1155 NE ARG A 72 33.642 29.984 28.782 1.00 49.30 N ATOM 1156 CZ ARG A 72 33.384 28.670 28.638 1.00 50.64 C ATOM 1157 NH1 ARG A 72 34.352 27.780 28.677 1.00 49.20 N ATOM 1158 NH2 ARG A 72 32.132 28.299 28.433 1.00 49.20 N ATOM 0 H ARG A 72 35.494 33.764 24.910 1.00 49.53 H new ATOM 0 HA ARG A 72 34.675 34.473 27.661 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.879 32.225 27.015 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.535 31.744 26.707 1.00 49.82 H new ATOM 0 HG2 ARG A 72 36.038 32.352 29.131 1.00 49.82 H new ATOM 0 HG3 ARG A 72 34.309 32.518 29.362 1.00 49.82 H new ATOM 0 HD2 ARG A 72 35.686 30.024 28.397 1.00 50.20 H new ATOM 0 HD3 ARG A 72 35.242 30.345 30.062 1.00 50.20 H new ATOM 0 HE ARG A 72 32.857 30.632 28.715 1.00 49.30 H new ATOM 0 HH11 ARG A 72 35.316 28.081 28.818 1.00 49.20 H new ATOM 0 HH12 ARG A 72 34.138 26.789 28.566 1.00 49.20 H new ATOM 0 HH21 ARG A 72 31.393 29.001 28.388 1.00 49.20 H new ATOM 0 HH22 ARG A 72 31.905 27.311 28.320 1.00 49.20 H new ATOM 1172 N LEU A 73 37.113 35.273 27.770 1.00 49.53 N ATOM 1173 CA LEU A 73 38.549 35.537 28.040 1.00 50.07 C ATOM 1174 C LEU A 73 39.010 34.901 29.345 1.00 50.51 C ATOM 1175 O LEU A 73 38.204 34.628 30.247 1.00 49.49 O ATOM 1176 CB LEU A 73 38.812 37.048 28.065 1.00 49.82 C ATOM 1177 CG LEU A 73 38.336 37.815 26.825 1.00 49.91 C ATOM 1178 CD1 LEU A 73 38.763 39.273 26.916 1.00 49.73 C ATOM 1179 CD2 LEU A 73 38.906 37.162 25.574 1.00 49.73 C ATOM 0 H LEU A 73 36.482 36.046 27.982 1.00 49.53 H new ATOM 0 HA LEU A 73 39.124 35.082 27.233 1.00 50.07 H new ATOM 0 HB2 LEU A 73 38.324 37.471 28.943 1.00 49.82 H new ATOM 0 HB3 LEU A 73 39.883 37.212 28.185 1.00 49.82 H new ATOM 0 HG LEU A 73 37.248 37.782 26.773 1.00 49.91 H new ATOM 0 HD11 LEU A 73 38.420 39.808 26.031 1.00 49.73 H new ATOM 0 HD12 LEU A 73 38.325 39.725 27.806 1.00 49.73 H new ATOM 0 HD13 LEU A 73 39.850 39.331 26.977 1.00 49.73 H new ATOM 0 HD21 LEU A 73 38.568 37.707 24.693 1.00 49.73 H new ATOM 0 HD22 LEU A 73 39.995 37.182 25.617 1.00 49.73 H new ATOM 0 HD23 LEU A 73 38.564 36.129 25.515 1.00 49.73 H new ATOM 1191 N ARG A 74 40.312 34.670 29.394 1.00 49.53 N ATOM 1192 CA ARG A 74 40.957 34.053 30.563 1.00 50.07 C ATOM 1193 C ARG A 74 41.780 34.992 31.441 1.00 50.51 C ATOM 1194 O ARG A 74 43.010 35.097 31.282 1.00 49.49 O ATOM 1195 CB ARG A 74 41.781 32.837 30.165 1.00 49.82 C ATOM 1196 CG ARG A 74 41.044 31.816 29.312 1.00 49.82 C ATOM 1197 CD ARG A 74 41.805 30.566 29.059 1.00 50.20 C ATOM 1198 NE ARG A 74 41.957 29.708 30.223 1.00 49.30 N ATOM 1199 CZ ARG A 74 42.824 28.681 30.308 1.00 50.64 C ATOM 1200 NH1 ARG A 74 43.591 28.356 29.290 1.00 49.20 N ATOM 1201 NH2 ARG A 74 42.868 27.992 31.435 1.00 49.20 N ATOM 0 H ARG A 74 40.955 34.899 28.636 1.00 49.53 H new ATOM 0 HA ARG A 74 40.120 33.746 31.190 1.00 50.07 H new ATOM 0 HB2 ARG A 74 42.662 33.176 29.620 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.136 32.344 31.070 1.00 49.82 H new ATOM 0 HG2 ARG A 74 40.104 31.562 29.802 1.00 49.82 H new ATOM 0 HG3 ARG A 74 40.792 32.274 28.355 1.00 49.82 H new ATOM 0 HD2 ARG A 74 41.304 30.003 28.271 1.00 50.20 H new ATOM 0 HD3 ARG A 74 42.795 30.827 28.684 1.00 50.20 H new ATOM 0 HE ARG A 74 41.365 29.897 31.032 1.00 49.30 H new ATOM 0 HH11 ARG A 74 43.534 28.885 28.420 1.00 49.20 H new ATOM 0 HH12 ARG A 74 44.242 27.575 29.371 1.00 49.20 H new ATOM 0 HH21 ARG A 74 42.255 28.244 32.211 1.00 49.20 H new ATOM 0 HH22 ARG A 74 43.515 27.209 31.529 1.00 49.20 H new ATOM 1215 N GLY A 75 41.064 35.761 32.252 1.00 49.53 N ATOM 1216 CA GLY A 75 41.660 36.714 33.178 1.00 49.98 C ATOM 1217 C GLY A 75 41.135 38.127 33.016 1.00 50.51 C ATOM 1218 O GLY A 75 41.202 38.739 31.937 1.00 49.49 O ATOM 0 H GLY A 75 40.045 35.740 32.285 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.474 36.381 34.199 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.741 36.718 33.036 1.00 49.98 H new ATOM 1222 N GLY A 76 40.642 38.641 34.128 1.00 49.53 N ATOM 1223 CA GLY A 76 40.084 39.997 34.248 1.00 49.98 C ATOM 1224 C GLY A 76 39.747 40.141 35.740 1.00 50.51 C ATOM 1225 O GLY A 76 38.637 40.640 36.011 1.00 49.49 O ATOM 0 H GLY A 76 40.613 38.120 35.004 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.802 40.752 33.928 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.197 40.118 33.627 1.00 49.98 H new