USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=21 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 55 THR OG1 : rot 116:sc= 0.236 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.233 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.0926 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.179 K(o=-0.27,f=-1.4) USER MOD Set 3.1: A 7 THR OG1 : rot -80:sc= 0.166 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.177) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.189 (180deg=0.0115) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0163 (180deg=-0.237) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc=-0.00306 (180deg=-0.112) USER MOD Single : A 12 THR OG1 : rot 21:sc= 0.411 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -113:sc= -0.189 (180deg=-1.22) USER MOD Single : A 31 GLN : amide:sc= -0.896 K(o=-0.9,f=-2.1!) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc=-0.00502 (180deg=-0.124) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 41 GLN :FLIP amide:sc= -1.2 F(o=-2!,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc=-0.000783 (180deg=-0.0873) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot -164:sc= 0.633 USER MOD Single : A 60 ASN : amide:sc= -0.136 K(o=-0.14,f=-0.64) USER MOD Single : A 62 GLN :FLIP amide:sc=-0.00568 F(o=-1.4!,f=-0.0057) USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -0.0152 (180deg=-0.183) USER MOD Single : A 65 SER OG : rot -109:sc= -1.16 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0821 X(o=-0.082,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.058 24.880 2.635 1.00 49.53 N ATOM 2 CA MET A 1 25.956 25.815 2.920 1.00 50.07 C ATOM 3 C MET A 1 26.709 26.976 3.613 1.00 50.51 C ATOM 4 O MET A 1 27.748 26.728 4.223 1.00 49.49 O ATOM 5 CB MET A 1 24.909 25.187 3.838 1.00 49.82 C ATOM 6 CG MET A 1 24.202 23.974 3.249 1.00 49.86 C ATOM 7 SD MET A 1 23.326 24.355 1.719 1.00 49.91 S ATOM 8 CE MET A 1 24.452 23.672 0.505 1.00 49.78 C ATOM 0 H1 MET A 1 27.110 24.706 1.611 1.00 49.53 H new ATOM 0 H2 MET A 1 27.956 25.291 2.962 1.00 49.53 H new ATOM 0 H3 MET A 1 26.888 23.982 3.130 1.00 49.53 H new ATOM 0 HA MET A 1 25.390 26.119 2.039 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.390 24.894 4.771 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.163 25.941 4.087 1.00 49.82 H new ATOM 0 HG2 MET A 1 24.934 23.189 3.058 1.00 49.86 H new ATOM 0 HG3 MET A 1 23.495 23.580 3.979 1.00 49.86 H new ATOM 0 HE1 MET A 1 23.973 23.669 -0.474 1.00 49.78 H new ATOM 0 HE2 MET A 1 25.356 24.280 0.465 1.00 49.78 H new ATOM 0 HE3 MET A 1 24.713 22.651 0.785 1.00 49.78 H new ATOM 18 N GLN A 2 26.140 28.137 3.478 1.00 49.53 N ATOM 19 CA GLN A 2 26.758 29.329 4.140 1.00 50.07 C ATOM 20 C GLN A 2 25.931 29.661 5.374 1.00 50.51 C ATOM 21 O GLN A 2 24.671 29.734 5.352 1.00 49.49 O ATOM 22 CB GLN A 2 26.795 30.526 3.187 1.00 49.82 C ATOM 23 CG GLN A 2 27.830 30.409 2.080 1.00 49.82 C ATOM 24 CD GLN A 2 27.825 31.612 1.155 1.00 50.55 C ATOM 25 OE1 GLN A 2 26.944 31.755 0.304 1.00 49.45 O ATOM 26 NE2 GLN A 2 28.816 32.482 1.313 1.00 49.38 N ATOM 0 H GLN A 2 25.287 28.318 2.948 1.00 49.53 H new ATOM 0 HA GLN A 2 27.787 29.104 4.421 1.00 50.07 H new ATOM 0 HB2 GLN A 2 25.810 30.648 2.737 1.00 49.82 H new ATOM 0 HB3 GLN A 2 26.996 31.429 3.763 1.00 49.82 H new ATOM 0 HG2 GLN A 2 28.820 30.298 2.522 1.00 49.82 H new ATOM 0 HG3 GLN A 2 27.637 29.507 1.500 1.00 49.82 H new ATOM 0 HE21 GLN A 2 29.524 32.324 2.030 1.00 49.38 H new ATOM 0 HE22 GLN A 2 28.869 33.308 0.717 1.00 49.38 H new ATOM 35 N ILE A 3 26.626 29.809 6.492 1.00 49.53 N ATOM 36 CA ILE A 3 25.973 30.274 7.731 1.00 50.07 C ATOM 37 C ILE A 3 26.620 31.605 8.219 1.00 50.51 C ATOM 38 O ILE A 3 27.734 31.848 7.788 1.00 49.49 O ATOM 39 CB ILE A 3 26.069 29.223 8.851 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.534 28.926 9.183 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.343 27.948 8.448 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.716 27.917 10.292 1.00 49.73 C ATOM 0 H ILE A 3 27.625 29.621 6.579 1.00 49.53 H new ATOM 0 HA ILE A 3 24.920 30.439 7.501 1.00 50.07 H new ATOM 0 HB ILE A 3 25.589 29.624 9.744 1.00 49.91 H new ATOM 0 HG12 ILE A 3 28.033 28.560 8.286 1.00 49.82 H new ATOM 0 HG13 ILE A 3 28.028 29.855 9.466 1.00 49.82 H new ATOM 0 HG21 ILE A 3 25.421 27.216 9.251 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.293 28.171 8.261 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.795 27.543 7.543 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.780 27.759 10.469 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.247 28.289 11.203 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.252 26.973 10.005 1.00 49.73 H new ATOM 54 N PHE A 4 25.837 32.312 8.999 1.00 49.53 N ATOM 55 CA PHE A 4 26.383 33.617 9.532 1.00 50.07 C ATOM 56 C PHE A 4 26.739 33.526 10.989 1.00 50.51 C ATOM 57 O PHE A 4 25.923 32.940 11.717 1.00 49.49 O ATOM 58 CB PHE A 4 25.372 34.744 9.311 1.00 49.82 C ATOM 59 CG PHE A 4 25.124 35.060 7.864 1.00 50.00 C ATOM 60 CD1 PHE A 4 24.300 34.252 7.094 1.00 49.88 C ATOM 61 CD2 PHE A 4 25.713 36.164 7.267 1.00 49.88 C ATOM 62 CE1 PHE A 4 24.071 34.542 5.762 1.00 49.88 C ATOM 63 CE2 PHE A 4 25.486 36.457 5.937 1.00 49.88 C ATOM 64 CZ PHE A 4 24.663 35.644 5.184 1.00 49.88 C ATOM 0 H PHE A 4 24.889 32.066 9.283 1.00 49.53 H new ATOM 0 HA PHE A 4 27.298 33.835 8.981 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.427 34.469 9.780 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.728 35.643 9.814 1.00 49.82 H new ATOM 0 HD1 PHE A 4 23.832 33.387 7.540 1.00 49.88 H new ATOM 0 HD2 PHE A 4 26.358 36.804 7.850 1.00 49.88 H new ATOM 0 HE1 PHE A 4 23.428 33.904 5.174 1.00 49.88 H new ATOM 0 HE2 PHE A 4 25.952 37.321 5.486 1.00 49.88 H new ATOM 0 HZ PHE A 4 24.483 35.871 4.144 1.00 49.88 H new ATOM 74 N VAL A 5 27.845 34.096 11.458 1.00 49.53 N ATOM 75 CA VAL A 5 28.168 34.101 12.870 1.00 50.07 C ATOM 76 C VAL A 5 28.120 35.559 13.390 1.00 50.51 C ATOM 77 O VAL A 5 29.106 36.228 13.064 1.00 49.49 O ATOM 78 CB VAL A 5 29.562 33.504 13.142 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.879 33.548 14.629 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.639 32.075 12.625 1.00 49.73 C ATOM 0 H VAL A 5 28.535 34.563 10.869 1.00 49.53 H new ATOM 0 HA VAL A 5 27.437 33.482 13.390 1.00 50.07 H new ATOM 0 HB VAL A 5 30.303 34.104 12.613 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.867 33.122 14.803 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.863 34.582 14.974 1.00 49.73 H new ATOM 0 HG13 VAL A 5 29.134 32.971 15.177 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.630 31.669 12.825 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.888 31.465 13.128 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.453 32.066 11.551 1.00 49.73 H new ATOM 90 N LYS A 6 27.071 35.914 14.047 1.00 49.53 N ATOM 91 CA LYS A 6 26.930 37.325 14.548 1.00 50.07 C ATOM 92 C LYS A 6 27.938 37.656 15.615 1.00 50.51 C ATOM 93 O LYS A 6 28.319 36.773 16.418 1.00 49.49 O ATOM 94 CB LYS A 6 25.514 37.563 15.076 1.00 49.82 C ATOM 95 CG LYS A 6 24.432 37.547 14.005 1.00 49.82 C ATOM 96 CD LYS A 6 24.482 38.804 13.149 1.00 49.82 C ATOM 97 CE LYS A 6 23.341 38.834 12.143 1.00 50.21 C ATOM 98 NZ LYS A 6 22.013 38.926 12.809 1.00 49.70 N ATOM 0 H LYS A 6 26.290 35.297 14.269 1.00 49.53 H new ATOM 0 HA LYS A 6 27.120 37.985 13.702 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.284 36.800 15.819 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.487 38.525 15.588 1.00 49.82 H new ATOM 0 HG2 LYS A 6 24.557 36.668 13.372 1.00 49.82 H new ATOM 0 HG3 LYS A 6 23.452 37.464 14.476 1.00 49.82 H new ATOM 0 HD2 LYS A 6 24.428 39.685 13.789 1.00 49.82 H new ATOM 0 HD3 LYS A 6 25.435 38.850 12.622 1.00 49.82 H new ATOM 0 HE2 LYS A 6 23.470 39.684 11.473 1.00 50.21 H new ATOM 0 HE3 LYS A 6 23.376 37.935 11.528 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 21.292 39.197 12.110 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 21.766 38.003 13.221 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 22.051 39.642 13.562 1.00 49.70 H new ATOM 112 N THR A 7 28.392 38.928 15.664 1.00 49.53 N ATOM 113 CA THR A 7 29.377 39.322 16.681 1.00 50.07 C ATOM 114 C THR A 7 28.948 40.665 17.278 1.00 50.51 C ATOM 115 O THR A 7 28.090 41.314 16.675 1.00 49.49 O ATOM 116 CB THR A 7 30.794 39.450 16.092 1.00 50.14 C ATOM 117 OG1 THR A 7 30.771 40.346 14.974 1.00 49.34 O ATOM 118 CG2 THR A 7 31.307 38.092 15.638 1.00 49.73 C ATOM 0 H THR A 7 28.101 39.673 15.032 1.00 49.53 H new ATOM 0 HA THR A 7 29.411 38.547 17.447 1.00 50.07 H new ATOM 0 HB THR A 7 31.458 39.839 16.864 1.00 50.14 H new ATOM 0 HG1 THR A 7 30.443 39.872 14.181 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.310 38.201 15.224 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.338 37.412 16.489 1.00 49.73 H new ATOM 0 HG23 THR A 7 30.642 37.688 14.875 1.00 49.73 H new ATOM 126 N LEU A 8 29.588 41.102 18.340 1.00 49.53 N ATOM 127 CA LEU A 8 29.200 42.370 18.999 1.00 50.07 C ATOM 128 C LEU A 8 29.963 43.561 18.455 1.00 50.51 C ATOM 129 O LEU A 8 30.168 44.547 19.188 1.00 49.49 O ATOM 130 CB LEU A 8 29.408 42.258 20.515 1.00 49.82 C ATOM 131 CG LEU A 8 28.557 41.191 21.215 1.00 49.91 C ATOM 132 CD1 LEU A 8 28.927 41.111 22.689 1.00 49.73 C ATOM 133 CD2 LEU A 8 27.082 41.525 21.046 1.00 49.73 C ATOM 0 H LEU A 8 30.373 40.618 18.776 1.00 49.53 H new ATOM 0 HA LEU A 8 28.145 42.538 18.783 1.00 50.07 H new ATOM 0 HB2 LEU A 8 30.460 42.044 20.706 1.00 49.82 H new ATOM 0 HB3 LEU A 8 29.192 43.226 20.967 1.00 49.82 H new ATOM 0 HG LEU A 8 28.750 40.218 20.763 1.00 49.91 H new ATOM 0 HD11 LEU A 8 28.317 40.351 23.177 1.00 49.73 H new ATOM 0 HD12 LEU A 8 29.980 40.848 22.786 1.00 49.73 H new ATOM 0 HD13 LEU A 8 28.749 42.077 23.162 1.00 49.73 H new ATOM 0 HD21 LEU A 8 26.478 40.766 21.544 1.00 49.73 H new ATOM 0 HD22 LEU A 8 26.877 42.500 21.488 1.00 49.73 H new ATOM 0 HD23 LEU A 8 26.833 41.548 19.985 1.00 49.73 H new ATOM 145 N THR A 9 30.362 43.514 17.169 1.00 49.53 N ATOM 146 CA THR A 9 31.112 44.718 16.676 1.00 50.07 C ATOM 147 C THR A 9 30.658 45.326 15.384 1.00 50.51 C ATOM 148 O THR A 9 31.416 46.026 14.687 1.00 49.49 O ATOM 149 CB THR A 9 32.614 44.403 16.547 1.00 50.14 C ATOM 150 OG1 THR A 9 32.813 43.411 15.533 1.00 49.34 O ATOM 151 CG2 THR A 9 33.166 43.890 17.869 1.00 49.73 C ATOM 0 H THR A 9 30.209 42.755 16.505 1.00 49.53 H new ATOM 0 HA THR A 9 30.898 45.463 17.442 1.00 50.07 H new ATOM 0 HB THR A 9 33.140 45.319 16.276 1.00 50.14 H new ATOM 0 HG1 THR A 9 33.769 43.214 15.452 1.00 49.34 H new ATOM 0 HG21 THR A 9 34.228 43.672 17.760 1.00 49.73 H new ATOM 0 HG22 THR A 9 33.028 44.648 18.640 1.00 49.73 H new ATOM 0 HG23 THR A 9 32.637 42.981 18.156 1.00 49.73 H new ATOM 159 N GLY A 10 29.465 45.040 14.962 1.00 49.53 N ATOM 160 CA GLY A 10 28.897 45.559 13.737 1.00 49.98 C ATOM 161 C GLY A 10 29.568 44.968 12.533 1.00 50.51 C ATOM 162 O GLY A 10 30.043 45.711 11.645 1.00 49.49 O ATOM 0 H GLY A 10 28.833 44.421 15.470 1.00 49.53 H new ATOM 0 HA2 GLY A 10 27.830 45.339 13.706 1.00 49.98 H new ATOM 0 HA3 GLY A 10 28.999 46.644 13.717 1.00 49.98 H new ATOM 166 N LYS A 11 29.657 43.663 12.499 1.00 49.53 N ATOM 167 CA LYS A 11 30.186 42.944 11.348 1.00 50.07 C ATOM 168 C LYS A 11 29.791 41.451 11.265 1.00 50.51 C ATOM 169 O LYS A 11 30.113 40.739 12.210 1.00 49.49 O ATOM 170 CB LYS A 11 31.710 43.066 11.314 1.00 49.82 C ATOM 171 CG LYS A 11 32.352 42.564 10.028 1.00 49.82 C ATOM 172 CD LYS A 11 33.862 42.744 10.058 1.00 49.82 C ATOM 173 CE LYS A 11 34.515 42.154 8.817 1.00 50.21 C ATOM 174 NZ LYS A 11 34.066 42.836 7.572 1.00 49.70 N ATOM 0 H LYS A 11 29.366 43.059 13.267 1.00 49.53 H new ATOM 0 HA LYS A 11 29.727 43.420 10.481 1.00 50.07 H new ATOM 0 HB2 LYS A 11 31.982 44.112 11.458 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.126 42.510 12.154 1.00 49.82 H new ATOM 0 HG2 LYS A 11 32.112 41.510 9.886 1.00 49.82 H new ATOM 0 HG3 LYS A 11 31.936 43.103 9.177 1.00 49.82 H new ATOM 0 HD2 LYS A 11 34.102 43.805 10.128 1.00 49.82 H new ATOM 0 HD3 LYS A 11 34.270 42.265 10.948 1.00 49.82 H new ATOM 0 HE2 LYS A 11 35.598 42.235 8.904 1.00 50.21 H new ATOM 0 HE3 LYS A 11 34.279 41.092 8.754 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 34.643 42.511 6.770 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 33.067 42.610 7.393 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 34.174 43.865 7.681 1.00 49.70 H new ATOM 188 N THR A 12 29.182 41.065 10.158 1.00 49.53 N ATOM 189 CA THR A 12 28.871 39.631 10.012 1.00 50.07 C ATOM 190 C THR A 12 30.024 38.782 9.478 1.00 50.51 C ATOM 191 O THR A 12 30.616 39.222 8.490 1.00 49.49 O ATOM 192 CB THR A 12 27.650 39.422 9.097 1.00 50.14 C ATOM 193 OG1 THR A 12 27.995 39.767 7.749 1.00 49.34 O ATOM 194 CG2 THR A 12 26.486 40.288 9.556 1.00 49.73 C ATOM 0 H THR A 12 28.903 41.669 9.385 1.00 49.53 H new ATOM 0 HA THR A 12 28.664 39.293 11.027 1.00 50.07 H new ATOM 0 HB THR A 12 27.352 38.375 9.146 1.00 50.14 H new ATOM 0 HG1 THR A 12 28.968 39.728 7.640 1.00 49.34 H new ATOM 0 HG21 THR A 12 25.632 40.128 8.898 1.00 49.73 H new ATOM 0 HG22 THR A 12 26.213 40.020 10.577 1.00 49.73 H new ATOM 0 HG23 THR A 12 26.778 41.338 9.522 1.00 49.73 H new ATOM 202 N ILE A 13 30.240 37.627 10.107 1.00 49.53 N ATOM 203 CA ILE A 13 31.366 36.810 9.566 1.00 50.07 C ATOM 204 C ILE A 13 30.733 35.633 8.877 1.00 50.51 C ATOM 205 O ILE A 13 29.804 35.016 9.432 1.00 49.49 O ATOM 206 CB ILE A 13 32.319 36.323 10.673 1.00 49.91 C ATOM 207 CG1 ILE A 13 32.870 37.511 11.465 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.453 35.504 10.076 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.843 38.366 10.685 1.00 49.73 C ATOM 0 H ILE A 13 29.726 37.251 10.904 1.00 49.53 H new ATOM 0 HA ILE A 13 31.972 37.411 8.888 1.00 50.07 H new ATOM 0 HB ILE A 13 31.759 35.685 11.357 1.00 49.91 H new ATOM 0 HG12 ILE A 13 32.038 38.133 11.795 1.00 49.82 H new ATOM 0 HG13 ILE A 13 33.365 37.139 12.362 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.117 35.168 10.872 1.00 49.73 H new ATOM 0 HG22 ILE A 13 33.042 34.638 9.556 1.00 49.73 H new ATOM 0 HG23 ILE A 13 34.013 36.118 9.371 1.00 49.73 H new ATOM 0 HD11 ILE A 13 34.190 39.187 11.312 1.00 49.73 H new ATOM 0 HD12 ILE A 13 34.695 37.759 10.378 1.00 49.73 H new ATOM 0 HD13 ILE A 13 33.347 38.769 9.802 1.00 49.73 H new ATOM 221 N THR A 14 31.173 35.309 7.682 1.00 49.53 N ATOM 222 CA THR A 14 30.565 34.111 7.029 1.00 50.07 C ATOM 223 C THR A 14 31.399 32.858 7.012 1.00 50.51 C ATOM 224 O THR A 14 32.655 32.931 6.998 1.00 49.49 O ATOM 225 CB THR A 14 30.157 34.433 5.580 1.00 50.14 C ATOM 226 OG1 THR A 14 31.312 34.835 4.833 1.00 49.34 O ATOM 227 CG2 THR A 14 29.124 35.550 5.550 1.00 49.73 C ATOM 0 H THR A 14 31.894 35.799 7.152 1.00 49.53 H new ATOM 0 HA THR A 14 29.707 33.891 7.664 1.00 50.07 H new ATOM 0 HB THR A 14 29.721 33.538 5.135 1.00 50.14 H new ATOM 0 HG1 THR A 14 31.051 35.038 3.911 1.00 49.34 H new ATOM 0 HG21 THR A 14 28.848 35.763 4.517 1.00 49.73 H new ATOM 0 HG22 THR A 14 28.238 35.242 6.106 1.00 49.73 H new ATOM 0 HG23 THR A 14 29.544 36.447 6.006 1.00 49.73 H new ATOM 235 N LEU A 15 30.779 31.690 6.940 1.00 49.53 N ATOM 236 CA LEU A 15 31.497 30.433 6.934 1.00 50.07 C ATOM 237 C LEU A 15 30.901 29.398 5.973 1.00 50.51 C ATOM 238 O LEU A 15 29.691 29.239 6.055 1.00 49.49 O ATOM 239 CB LEU A 15 31.552 29.857 8.354 1.00 49.82 C ATOM 240 CG LEU A 15 32.092 30.814 9.426 1.00 49.91 C ATOM 241 CD1 LEU A 15 31.795 30.263 10.814 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.589 31.004 9.230 1.00 49.73 C ATOM 0 H LEU A 15 29.765 31.591 6.884 1.00 49.53 H new ATOM 0 HA LEU A 15 32.503 30.649 6.575 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.548 29.544 8.641 1.00 49.82 H new ATOM 0 HB3 LEU A 15 32.174 28.962 8.342 1.00 49.82 H new ATOM 0 HG LEU A 15 31.600 31.782 9.331 1.00 49.91 H new ATOM 0 HD11 LEU A 15 32.182 30.949 11.568 1.00 49.73 H new ATOM 0 HD12 LEU A 15 30.718 30.155 10.940 1.00 49.73 H new ATOM 0 HD13 LEU A 15 32.273 29.290 10.929 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.972 31.684 9.991 1.00 49.73 H new ATOM 0 HD22 LEU A 15 34.092 30.041 9.317 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.776 31.424 8.242 1.00 49.73 H new ATOM 254 N GLU A 16 31.777 28.690 5.300 1.00 49.53 N ATOM 255 CA GLU A 16 31.247 27.572 4.452 1.00 50.07 C ATOM 256 C GLU A 16 31.453 26.346 5.313 1.00 50.51 C ATOM 257 O GLU A 16 32.591 26.051 5.674 1.00 49.49 O ATOM 258 CB GLU A 16 32.008 27.460 3.128 1.00 49.82 C ATOM 259 CG GLU A 16 31.588 26.283 2.259 1.00 49.72 C ATOM 260 CD GLU A 16 32.359 26.254 0.969 1.00 50.62 C ATOM 261 OE1 GLU A 16 33.562 26.152 1.020 1.00 49.24 O ATOM 262 OE2 GLU A 16 31.742 26.218 -0.068 1.00 49.24 O ATOM 0 H GLU A 16 32.788 28.825 5.296 1.00 49.53 H new ATOM 0 HA GLU A 16 30.205 27.718 4.167 1.00 50.07 H new ATOM 0 HB2 GLU A 16 31.867 28.381 2.563 1.00 49.82 H new ATOM 0 HB3 GLU A 16 33.074 27.376 3.341 1.00 49.82 H new ATOM 0 HG2 GLU A 16 31.749 25.352 2.802 1.00 49.72 H new ATOM 0 HG3 GLU A 16 30.521 26.348 2.046 1.00 49.72 H new ATOM 269 N VAL A 17 30.314 25.793 5.703 1.00 49.53 N ATOM 270 CA VAL A 17 30.281 24.626 6.578 1.00 50.07 C ATOM 271 C VAL A 17 29.617 23.516 5.749 1.00 50.51 C ATOM 272 O VAL A 17 29.731 23.467 4.502 1.00 49.49 O ATOM 273 CB VAL A 17 29.474 24.879 7.865 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.180 25.901 8.743 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.067 25.350 7.528 1.00 49.73 C ATOM 0 H VAL A 17 29.394 26.135 5.426 1.00 49.53 H new ATOM 0 HA VAL A 17 31.288 24.365 6.905 1.00 50.07 H new ATOM 0 HB VAL A 17 29.401 23.941 8.416 1.00 49.91 H new ATOM 0 HG11 VAL A 17 29.596 26.068 9.648 1.00 49.73 H new ATOM 0 HG12 VAL A 17 31.168 25.529 9.012 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.282 26.840 8.199 1.00 49.73 H new ATOM 0 HG21 VAL A 17 27.511 25.524 8.449 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.121 26.276 6.956 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.560 24.588 6.937 1.00 49.73 H new ATOM 285 N GLU A 18 29.255 22.492 6.488 1.00 49.53 N ATOM 286 CA GLU A 18 28.500 21.348 5.976 1.00 50.07 C ATOM 287 C GLU A 18 27.655 20.768 7.099 1.00 50.51 C ATOM 288 O GLU A 18 27.915 20.991 8.270 1.00 49.49 O ATOM 289 CB GLU A 18 29.444 20.284 5.410 1.00 49.82 C ATOM 290 CG GLU A 18 30.214 20.719 4.172 1.00 49.72 C ATOM 291 CD GLU A 18 30.891 19.551 3.511 1.00 50.62 C ATOM 292 OE1 GLU A 18 30.783 18.460 4.017 1.00 49.24 O ATOM 293 OE2 GLU A 18 31.423 19.727 2.440 1.00 49.24 O ATOM 0 H GLU A 18 29.476 22.420 7.481 1.00 49.53 H new ATOM 0 HA GLU A 18 27.850 21.680 5.166 1.00 50.07 H new ATOM 0 HB2 GLU A 18 30.156 19.999 6.184 1.00 49.82 H new ATOM 0 HB3 GLU A 18 28.864 19.394 5.168 1.00 49.82 H new ATOM 0 HG2 GLU A 18 29.533 21.194 3.466 1.00 49.72 H new ATOM 0 HG3 GLU A 18 30.959 21.465 4.448 1.00 49.72 H new ATOM 300 N PRO A 19 26.592 20.069 6.747 1.00 49.71 N ATOM 301 CA PRO A 19 25.719 19.415 7.723 1.00 50.02 C ATOM 302 C PRO A 19 26.486 18.492 8.636 1.00 50.51 C ATOM 303 O PRO A 19 26.046 18.164 9.747 1.00 49.49 O ATOM 304 CB PRO A 19 24.718 18.628 6.848 1.00 49.82 C ATOM 305 CG PRO A 19 24.655 19.445 5.600 1.00 49.82 C ATOM 306 CD PRO A 19 26.136 19.829 5.354 1.00 50.00 C ATOM 0 HA PRO A 19 25.235 20.130 8.388 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.064 17.614 6.650 1.00 49.82 H new ATOM 0 HB3 PRO A 19 23.742 18.544 7.326 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.243 18.876 4.767 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.026 20.326 5.727 1.00 49.82 H new ATOM 0 HD2 PRO A 19 26.695 19.030 4.867 1.00 50.00 H new ATOM 0 HD3 PRO A 19 26.235 20.715 4.727 1.00 50.00 H new ATOM 314 N SER A 20 27.628 18.007 8.178 1.00 49.53 N ATOM 315 CA SER A 20 28.413 17.057 8.982 1.00 50.07 C ATOM 316 C SER A 20 29.488 17.670 9.849 1.00 50.51 C ATOM 317 O SER A 20 30.176 16.912 10.553 1.00 49.49 O ATOM 318 CB SER A 20 29.031 16.016 8.071 1.00 50.05 C ATOM 319 OG SER A 20 30.006 16.565 7.228 1.00 49.34 O ATOM 0 H SER A 20 28.035 18.243 7.273 1.00 49.53 H new ATOM 0 HA SER A 20 27.701 16.615 9.679 1.00 50.07 H new ATOM 0 HB2 SER A 20 29.478 15.226 8.675 1.00 50.05 H new ATOM 0 HB3 SER A 20 28.250 15.553 7.468 1.00 50.05 H new ATOM 0 HG SER A 20 30.380 15.861 6.659 1.00 49.34 H new ATOM 325 N ASP A 21 29.718 18.975 9.687 1.00 49.53 N ATOM 326 CA ASP A 21 30.789 19.587 10.518 1.00 50.07 C ATOM 327 C ASP A 21 30.483 19.659 11.991 1.00 50.51 C ATOM 328 O ASP A 21 29.399 20.123 12.396 1.00 49.49 O ATOM 329 CB ASP A 21 31.115 20.990 9.998 1.00 49.72 C ATOM 330 CG ASP A 21 32.049 21.014 8.795 1.00 50.62 C ATOM 331 OD1 ASP A 21 32.438 19.961 8.349 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.239 22.069 8.238 1.00 49.24 O ATOM 0 H ASP A 21 29.228 19.598 9.045 1.00 49.53 H new ATOM 0 HA ASP A 21 31.646 18.920 10.422 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.184 21.490 9.730 1.00 49.72 H new ATOM 0 HB3 ASP A 21 31.566 21.567 10.805 1.00 49.72 H new ATOM 337 N THR A 22 31.465 19.303 12.802 1.00 49.53 N ATOM 338 CA THR A 22 31.356 19.403 14.238 1.00 50.07 C ATOM 339 C THR A 22 31.541 20.866 14.705 1.00 50.51 C ATOM 340 O THR A 22 32.105 21.676 13.965 1.00 49.49 O ATOM 341 CB THR A 22 32.393 18.513 14.948 1.00 50.14 C ATOM 342 OG1 THR A 22 33.714 18.921 14.573 1.00 49.34 O ATOM 343 CG2 THR A 22 32.191 17.054 14.570 1.00 49.73 C ATOM 0 H THR A 22 32.360 18.936 12.477 1.00 49.53 H new ATOM 0 HA THR A 22 30.357 19.059 14.505 1.00 50.07 H new ATOM 0 HB THR A 22 32.264 18.620 16.025 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.373 18.355 15.027 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.932 16.440 15.081 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.191 16.737 14.866 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.305 16.938 13.492 1.00 49.73 H new ATOM 351 N ILE A 23 31.052 21.094 15.924 1.00 49.53 N ATOM 352 CA ILE A 23 31.216 22.393 16.568 1.00 50.07 C ATOM 353 C ILE A 23 32.702 22.754 16.612 1.00 50.51 C ATOM 354 O ILE A 23 33.107 23.917 16.442 1.00 49.49 O ATOM 355 CB ILE A 23 30.644 22.400 17.999 1.00 49.91 C ATOM 356 CG1 ILE A 23 29.115 22.328 17.963 1.00 49.82 C ATOM 357 CG2 ILE A 23 31.104 23.641 18.749 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.476 23.356 17.059 1.00 49.73 C ATOM 0 H ILE A 23 30.545 20.404 16.478 1.00 49.53 H new ATOM 0 HA ILE A 23 30.664 23.129 15.984 1.00 50.07 H new ATOM 0 HB ILE A 23 31.017 21.522 18.526 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.815 21.333 17.634 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.731 22.459 18.975 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.691 23.630 19.758 1.00 49.73 H new ATOM 0 HG22 ILE A 23 32.193 23.651 18.802 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.758 24.532 18.225 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.392 23.242 17.087 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.744 24.356 17.399 1.00 49.73 H new ATOM 0 HD13 ILE A 23 28.830 23.213 16.038 1.00 49.73 H new ATOM 370 N GLU A 24 33.531 21.774 16.889 1.00 49.53 N ATOM 371 CA GLU A 24 35.013 22.013 16.888 1.00 50.07 C ATOM 372 C GLU A 24 35.505 22.441 15.527 1.00 50.51 C ATOM 373 O GLU A 24 36.392 23.319 15.403 1.00 49.49 O ATOM 374 CB GLU A 24 35.758 20.756 17.343 1.00 49.82 C ATOM 375 CG GLU A 24 37.231 20.975 17.653 1.00 49.72 C ATOM 376 CD GLU A 24 37.815 19.803 18.392 1.00 50.62 C ATOM 377 OE1 GLU A 24 37.090 18.876 18.663 1.00 49.24 O ATOM 378 OE2 GLU A 24 39.007 19.783 18.586 1.00 49.24 O ATOM 0 H GLU A 24 33.247 20.821 17.115 1.00 49.53 H new ATOM 0 HA GLU A 24 35.216 22.822 17.589 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.267 20.360 18.232 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.672 19.996 16.566 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.780 21.133 16.725 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.348 21.879 18.250 1.00 49.72 H new ATOM 385 N ASN A 25 34.982 21.817 14.485 1.00 49.53 N ATOM 386 CA ASN A 25 35.342 22.091 13.088 1.00 50.07 C ATOM 387 C ASN A 25 34.971 23.507 12.648 1.00 50.51 C ATOM 388 O ASN A 25 35.772 24.203 11.992 1.00 49.49 O ATOM 389 CB ASN A 25 34.714 21.077 12.150 1.00 49.82 C ATOM 390 CG ASN A 25 35.347 19.715 12.219 1.00 50.55 C ATOM 391 OD1 ASN A 25 36.386 19.523 12.864 1.00 49.45 O ATOM 392 ND2 ASN A 25 34.775 18.788 11.495 1.00 49.38 N ATOM 0 H ASN A 25 34.277 21.086 14.581 1.00 49.53 H new ATOM 0 HA ASN A 25 36.427 22.005 13.033 1.00 50.07 H new ATOM 0 HB2 ASN A 25 33.653 20.987 12.384 1.00 49.82 H new ATOM 0 HB3 ASN A 25 34.784 21.449 11.128 1.00 49.82 H new ATOM 0 HD21 ASN A 25 35.185 17.856 11.444 1.00 49.38 H new ATOM 0 HD22 ASN A 25 33.919 18.998 10.982 1.00 49.38 H new ATOM 399 N VAL A 26 33.753 23.885 13.011 1.00 49.53 N ATOM 400 CA VAL A 26 33.264 25.221 12.691 1.00 50.07 C ATOM 401 C VAL A 26 34.275 26.200 13.278 1.00 50.51 C ATOM 402 O VAL A 26 34.878 27.006 12.560 1.00 49.49 O ATOM 403 CB VAL A 26 31.868 25.489 13.285 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.429 26.916 12.990 1.00 49.73 C ATOM 405 CG2 VAL A 26 30.855 24.497 12.734 1.00 49.73 C ATOM 0 H VAL A 26 33.093 23.296 13.520 1.00 49.53 H new ATOM 0 HA VAL A 26 33.163 25.330 11.611 1.00 50.07 H new ATOM 0 HB VAL A 26 31.923 25.361 14.366 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.441 27.088 13.417 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.141 27.614 13.430 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.390 27.069 11.912 1.00 49.73 H new ATOM 0 HG21 VAL A 26 29.875 24.701 13.164 1.00 49.73 H new ATOM 0 HG22 VAL A 26 30.803 24.595 11.650 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.161 23.483 12.993 1.00 49.73 H new ATOM 415 N LYS A 27 34.513 26.075 14.578 1.00 49.53 N ATOM 416 CA LYS A 27 35.465 26.964 15.259 1.00 50.07 C ATOM 417 C LYS A 27 36.789 27.094 14.524 1.00 50.51 C ATOM 418 O LYS A 27 37.458 28.150 14.659 1.00 49.49 O ATOM 419 CB LYS A 27 35.713 26.479 16.688 1.00 49.82 C ATOM 420 CG LYS A 27 34.590 26.802 17.665 1.00 49.82 C ATOM 421 CD LYS A 27 34.786 26.081 18.990 1.00 49.82 C ATOM 422 CE LYS A 27 33.654 26.387 19.960 1.00 50.21 C ATOM 423 NZ LYS A 27 33.819 25.668 21.252 1.00 49.70 N ATOM 0 H LYS A 27 34.071 25.380 15.180 1.00 49.53 H new ATOM 0 HA LYS A 27 35.009 27.954 15.274 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.865 25.400 16.671 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.637 26.925 17.055 1.00 49.82 H new ATOM 0 HG2 LYS A 27 34.552 27.878 17.836 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.633 26.514 17.230 1.00 49.82 H new ATOM 0 HD2 LYS A 27 34.839 25.006 18.817 1.00 49.82 H new ATOM 0 HD3 LYS A 27 35.737 26.380 19.432 1.00 49.82 H new ATOM 0 HE2 LYS A 27 33.615 27.461 20.145 1.00 50.21 H new ATOM 0 HE3 LYS A 27 32.703 26.106 19.508 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 33.027 25.904 21.884 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 33.831 24.642 21.080 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 34.714 25.955 21.697 1.00 49.70 H new ATOM 437 N ALA A 28 37.204 26.068 13.810 1.00 49.53 N ATOM 438 CA ALA A 28 38.434 26.119 13.010 1.00 50.07 C ATOM 439 C ALA A 28 38.351 27.018 11.790 1.00 50.51 C ATOM 440 O ALA A 28 39.359 27.716 11.428 1.00 49.49 O ATOM 441 CB ALA A 28 38.841 24.695 12.585 1.00 49.73 C ATOM 0 H ALA A 28 36.710 25.177 13.760 1.00 49.53 H new ATOM 0 HA ALA A 28 39.193 26.562 13.656 1.00 50.07 H new ATOM 0 HB1 ALA A 28 39.754 24.739 11.992 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.014 24.086 13.472 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.043 24.251 11.990 1.00 49.73 H new ATOM 447 N LYS A 29 37.210 27.092 11.120 1.00 49.53 N ATOM 448 CA LYS A 29 37.039 28.013 9.977 1.00 50.07 C ATOM 449 C LYS A 29 37.325 29.407 10.567 1.00 50.51 C ATOM 450 O LYS A 29 38.074 30.244 10.007 1.00 49.49 O ATOM 451 CB LYS A 29 35.625 27.932 9.400 1.00 49.82 C ATOM 452 CG LYS A 29 35.328 26.646 8.639 1.00 49.82 C ATOM 453 CD LYS A 29 36.401 26.358 7.600 1.00 49.82 C ATOM 454 CE LYS A 29 36.171 25.014 6.925 1.00 50.21 C ATOM 455 NZ LYS A 29 34.869 24.966 6.207 1.00 49.70 N ATOM 0 H LYS A 29 36.385 26.533 11.337 1.00 49.53 H new ATOM 0 HA LYS A 29 37.703 27.769 9.147 1.00 50.07 H new ATOM 0 HB2 LYS A 29 34.907 28.032 10.214 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.469 28.779 8.732 1.00 49.82 H new ATOM 0 HG2 LYS A 29 35.264 25.813 9.339 1.00 49.82 H new ATOM 0 HG3 LYS A 29 34.357 26.726 8.150 1.00 49.82 H new ATOM 0 HD2 LYS A 29 36.405 27.148 6.849 1.00 49.82 H new ATOM 0 HD3 LYS A 29 37.382 26.365 8.075 1.00 49.82 H new ATOM 0 HE2 LYS A 29 36.980 24.819 6.221 1.00 50.21 H new ATOM 0 HE3 LYS A 29 36.201 24.222 7.674 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 34.237 24.288 6.679 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 34.433 25.910 6.216 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 35.026 24.667 5.223 1.00 49.70 H new ATOM 469 N ILE A 30 36.778 29.650 11.757 1.00 49.53 N ATOM 470 CA ILE A 30 36.996 30.957 12.405 1.00 50.07 C ATOM 471 C ILE A 30 38.413 31.190 12.947 1.00 50.51 C ATOM 472 O ILE A 30 38.882 32.352 12.978 1.00 49.49 O ATOM 473 CB ILE A 30 35.995 31.174 13.554 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.562 31.201 13.016 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.312 32.462 14.299 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.504 31.142 14.093 1.00 49.73 C ATOM 0 H ILE A 30 36.201 28.992 12.281 1.00 49.53 H new ATOM 0 HA ILE A 30 36.844 31.678 11.602 1.00 50.07 H new ATOM 0 HB ILE A 30 36.084 30.343 14.253 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.421 32.110 12.431 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.423 30.360 12.337 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.595 32.600 15.108 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.319 32.405 14.712 1.00 49.73 H new ATOM 0 HG23 ILE A 30 36.250 33.305 13.611 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.516 31.165 13.634 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.617 30.220 14.664 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.615 31.998 14.759 1.00 49.73 H new ATOM 488 N GLN A 31 39.065 30.170 13.448 1.00 49.53 N ATOM 489 CA GLN A 31 40.451 30.396 13.964 1.00 50.07 C ATOM 490 C GLN A 31 41.408 30.901 12.871 1.00 50.51 C ATOM 491 O GLN A 31 42.398 31.647 13.056 1.00 49.49 O ATOM 492 CB GLN A 31 41.008 29.107 14.575 1.00 49.82 C ATOM 493 CG GLN A 31 42.441 29.219 15.063 1.00 49.82 C ATOM 494 CD GLN A 31 43.448 28.846 13.991 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.215 27.936 13.191 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.578 29.546 13.972 1.00 49.38 N ATOM 0 H GLN A 31 38.711 29.216 13.522 1.00 49.53 H new ATOM 0 HA GLN A 31 40.382 31.170 14.729 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.374 28.810 15.410 1.00 49.82 H new ATOM 0 HB3 GLN A 31 40.950 28.311 13.832 1.00 49.82 H new ATOM 0 HG2 GLN A 31 42.630 30.240 15.396 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.579 28.571 15.928 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.728 30.290 14.653 1.00 49.38 H new ATOM 0 HE22 GLN A 31 45.295 29.339 13.276 1.00 49.38 H new ATOM 505 N ASP A 32 41.127 30.442 11.675 1.00 49.53 N ATOM 506 CA ASP A 32 41.941 30.847 10.505 1.00 50.07 C ATOM 507 C ASP A 32 41.654 32.291 10.156 1.00 50.51 C ATOM 508 O ASP A 32 42.553 33.150 9.997 1.00 49.49 O ATOM 509 CB ASP A 32 41.653 29.941 9.306 1.00 49.72 C ATOM 510 CG ASP A 32 42.210 28.530 9.434 1.00 50.62 C ATOM 511 OD1 ASP A 32 42.830 28.246 10.432 1.00 49.24 O ATOM 512 OD2 ASP A 32 41.881 27.706 8.615 1.00 49.24 O ATOM 0 H ASP A 32 40.362 29.800 11.466 1.00 49.53 H new ATOM 0 HA ASP A 32 42.996 30.746 10.761 1.00 50.07 H new ATOM 0 HB2 ASP A 32 40.574 29.881 9.163 1.00 49.72 H new ATOM 0 HB3 ASP A 32 42.068 30.402 8.410 1.00 49.72 H new ATOM 517 N LYS A 33 40.366 32.643 9.991 1.00 49.53 N ATOM 518 CA LYS A 33 40.112 34.041 9.551 1.00 50.07 C ATOM 519 C LYS A 33 40.200 35.085 10.607 1.00 50.51 C ATOM 520 O LYS A 33 40.952 36.090 10.363 1.00 49.49 O ATOM 521 CB LYS A 33 38.743 34.128 8.873 1.00 49.82 C ATOM 522 CG LYS A 33 38.779 33.958 7.360 1.00 49.82 C ATOM 523 CD LYS A 33 38.586 32.503 6.962 1.00 49.82 C ATOM 524 CE LYS A 33 38.627 32.332 5.450 1.00 50.21 C ATOM 525 NZ LYS A 33 39.968 32.652 4.890 1.00 49.70 N ATOM 0 H LYS A 33 39.549 32.050 10.137 1.00 49.53 H new ATOM 0 HA LYS A 33 40.927 34.263 8.862 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.092 33.364 9.297 1.00 49.82 H new ATOM 0 HB3 LYS A 33 38.296 35.094 9.107 1.00 49.82 H new ATOM 0 HG2 LYS A 33 37.999 34.568 6.905 1.00 49.82 H new ATOM 0 HG3 LYS A 33 39.732 34.319 6.974 1.00 49.82 H new ATOM 0 HD2 LYS A 33 39.364 31.892 7.420 1.00 49.82 H new ATOM 0 HD3 LYS A 33 37.631 32.143 7.345 1.00 49.82 H new ATOM 0 HE2 LYS A 33 38.362 31.306 5.194 1.00 50.21 H new ATOM 0 HE3 LYS A 33 37.879 32.978 4.991 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 40.011 32.348 3.896 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 40.132 33.677 4.946 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 40.700 32.154 5.436 1.00 49.70 H new ATOM 539 N GLU A 34 39.620 34.972 11.770 1.00 49.53 N ATOM 540 CA GLU A 34 39.677 35.953 12.830 1.00 50.07 C ATOM 541 C GLU A 34 40.832 35.855 13.793 1.00 50.51 C ATOM 542 O GLU A 34 41.038 36.772 14.595 1.00 49.49 O ATOM 543 CB GLU A 34 38.367 35.927 13.621 1.00 49.82 C ATOM 544 CG GLU A 34 37.172 36.510 12.879 1.00 49.72 C ATOM 545 CD GLU A 34 37.431 37.931 12.459 1.00 50.62 C ATOM 546 OE1 GLU A 34 37.897 38.695 13.269 1.00 49.24 O ATOM 547 OE2 GLU A 34 37.269 38.224 11.297 1.00 49.24 O ATOM 0 H GLU A 34 39.066 34.153 12.021 1.00 49.53 H new ATOM 0 HA GLU A 34 39.837 36.896 12.306 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.142 34.896 13.894 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.507 36.479 14.550 1.00 49.82 H new ATOM 0 HG2 GLU A 34 36.955 35.902 12.000 1.00 49.72 H new ATOM 0 HG3 GLU A 34 36.290 36.472 13.519 1.00 49.72 H new ATOM 554 N GLY A 35 41.541 34.737 13.790 1.00 49.53 N ATOM 555 CA GLY A 35 42.709 34.552 14.610 1.00 49.98 C ATOM 556 C GLY A 35 42.374 34.283 16.023 1.00 50.51 C ATOM 557 O GLY A 35 43.283 34.263 16.894 1.00 49.49 O ATOM 0 H GLY A 35 41.313 33.930 13.210 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.298 33.724 14.216 1.00 49.98 H new ATOM 0 HA3 GLY A 35 43.334 35.443 14.552 1.00 49.98 H new ATOM 561 N ILE A 36 41.098 33.979 16.321 1.00 49.53 N ATOM 562 CA ILE A 36 40.744 33.701 17.721 1.00 50.07 C ATOM 563 C ILE A 36 40.827 32.243 18.141 1.00 50.51 C ATOM 564 O ILE A 36 40.167 31.372 17.546 1.00 49.49 O ATOM 565 CB ILE A 36 39.328 34.216 18.039 1.00 49.91 C ATOM 566 CG1 ILE A 36 39.258 35.734 17.854 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.928 33.830 19.455 1.00 49.73 C ATOM 568 CD1 ILE A 36 37.850 36.270 17.729 1.00 49.73 C ATOM 0 H ILE A 36 40.332 33.921 15.650 1.00 49.53 H new ATOM 0 HA ILE A 36 41.505 34.232 18.293 1.00 50.07 H new ATOM 0 HB ILE A 36 38.626 33.752 17.346 1.00 49.91 H new ATOM 0 HG12 ILE A 36 39.746 36.217 18.701 1.00 49.82 H new ATOM 0 HG13 ILE A 36 39.822 36.008 16.962 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.925 34.202 19.664 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.941 32.745 19.554 1.00 49.73 H new ATOM 0 HG23 ILE A 36 39.631 34.267 20.164 1.00 49.73 H new ATOM 0 HD11 ILE A 36 37.883 37.352 17.601 1.00 49.73 H new ATOM 0 HD12 ILE A 36 37.363 35.817 16.865 1.00 49.73 H new ATOM 0 HD13 ILE A 36 37.287 36.028 18.631 1.00 49.73 H new ATOM 580 N PRO A 37 41.611 31.957 19.174 1.00 49.71 N ATOM 581 CA PRO A 37 41.762 30.596 19.717 1.00 50.02 C ATOM 582 C PRO A 37 40.419 30.022 20.127 1.00 50.51 C ATOM 583 O PRO A 37 39.636 30.754 20.790 1.00 49.49 O ATOM 584 CB PRO A 37 42.623 30.888 20.983 1.00 49.82 C ATOM 585 CG PRO A 37 43.450 32.072 20.577 1.00 49.82 C ATOM 586 CD PRO A 37 42.418 32.972 19.912 1.00 50.00 C ATOM 0 HA PRO A 37 42.189 29.878 19.017 1.00 50.02 H new ATOM 0 HB2 PRO A 37 42.000 31.111 21.849 1.00 49.82 H new ATOM 0 HB3 PRO A 37 43.247 30.035 21.250 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.919 32.555 21.435 1.00 49.82 H new ATOM 0 HG3 PRO A 37 44.250 31.794 19.891 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.823 33.528 20.637 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.874 33.704 19.246 1.00 50.00 H new ATOM 594 N PRO A 38 40.142 28.778 19.823 1.00 49.71 N ATOM 595 CA PRO A 38 38.844 28.188 20.188 1.00 50.02 C ATOM 596 C PRO A 38 38.552 28.249 21.663 1.00 50.51 C ATOM 597 O PRO A 38 37.378 28.374 22.106 1.00 49.49 O ATOM 598 CB PRO A 38 38.915 26.779 19.606 1.00 49.82 C ATOM 599 CG PRO A 38 39.854 26.946 18.414 1.00 49.82 C ATOM 600 CD PRO A 38 40.961 27.829 19.031 1.00 50.00 C ATOM 0 HA PRO A 38 37.998 28.743 19.784 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.305 26.063 20.329 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.933 26.419 19.299 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.240 25.991 18.056 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.365 27.429 17.568 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.649 27.256 19.653 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.561 28.332 18.272 1.00 50.00 H new ATOM 608 N ASP A 39 39.562 28.173 22.496 1.00 49.53 N ATOM 609 CA ASP A 39 39.348 28.170 23.969 1.00 50.07 C ATOM 610 C ASP A 39 38.649 29.374 24.587 1.00 50.51 C ATOM 611 O ASP A 39 38.137 29.347 25.740 1.00 49.49 O ATOM 612 CB ASP A 39 40.688 27.960 24.677 1.00 49.72 C ATOM 613 CG ASP A 39 41.767 28.965 24.292 1.00 50.62 C ATOM 614 OD1 ASP A 39 41.469 30.134 24.234 1.00 49.24 O ATOM 615 OD2 ASP A 39 42.909 28.578 24.212 1.00 49.24 O ATOM 0 H ASP A 39 40.539 28.112 22.208 1.00 49.53 H new ATOM 0 HA ASP A 39 38.646 27.350 24.121 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.528 28.011 25.754 1.00 49.72 H new ATOM 0 HB3 ASP A 39 41.049 26.955 24.456 1.00 49.72 H new ATOM 620 N GLN A 40 38.512 30.440 23.816 1.00 49.53 N ATOM 621 CA GLN A 40 37.817 31.640 24.338 1.00 50.07 C ATOM 622 C GLN A 40 36.470 31.923 23.648 1.00 50.51 C ATOM 623 O GLN A 40 35.929 33.008 23.826 1.00 49.49 O ATOM 624 CB GLN A 40 38.721 32.870 24.205 1.00 49.82 C ATOM 625 CG GLN A 40 39.918 32.867 25.140 1.00 49.82 C ATOM 626 CD GLN A 40 40.670 34.184 25.121 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.292 35.120 24.413 1.00 49.45 O ATOM 628 NE2 GLN A 40 41.743 34.263 25.900 1.00 49.38 N ATOM 0 H GLN A 40 38.854 30.516 22.858 1.00 49.53 H new ATOM 0 HA GLN A 40 37.600 31.431 25.386 1.00 50.07 H new ATOM 0 HB2 GLN A 40 39.077 32.936 23.177 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.128 33.765 24.395 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.582 32.658 26.156 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.595 32.061 24.857 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.020 33.463 26.470 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.290 35.123 25.929 1.00 49.38 H new ATOM 637 N GLN A 41 35.939 30.966 22.920 1.00 49.53 N ATOM 638 CA GLN A 41 34.709 31.115 22.181 1.00 50.07 C ATOM 639 C GLN A 41 33.516 30.380 22.753 1.00 50.51 C ATOM 640 O GLN A 41 33.478 29.175 22.952 1.00 49.49 O ATOM 641 CB GLN A 41 34.917 30.670 20.731 1.00 49.82 C ATOM 642 CG GLN A 41 36.066 31.367 20.024 1.00 49.82 C ATOM 643 CD GLN A 41 36.107 31.057 18.540 1.00 50.55 C ATOM 644 OE1 GLN A 41 37.148 31.533 17.866 1.00 49.45 O flip ATOM 645 NE2 GLN A 41 35.214 30.394 18.006 1.00 49.38 N flip ATOM 0 H GLN A 41 36.361 30.042 22.824 1.00 49.53 H new ATOM 0 HA GLN A 41 34.468 32.176 22.250 1.00 50.07 H new ATOM 0 HB2 GLN A 41 35.094 29.595 20.715 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.999 30.850 20.172 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.975 32.444 20.165 1.00 49.82 H new ATOM 0 HG3 GLN A 41 37.008 31.064 20.482 1.00 49.82 H new ATOM 0 HE21 GLN A 41 34.433 30.048 18.563 1.00 49.38 H new ATOM 0 HE22 GLN A 41 35.257 30.191 17.007 1.00 49.38 H new ATOM 654 N ARG A 42 32.410 31.115 22.858 1.00 49.53 N ATOM 655 CA ARG A 42 31.100 30.500 23.239 1.00 50.07 C ATOM 656 C ARG A 42 30.072 30.592 22.133 1.00 50.51 C ATOM 657 O ARG A 42 29.722 31.784 21.764 1.00 49.49 O ATOM 658 CB ARG A 42 30.560 31.071 24.542 1.00 49.82 C ATOM 659 CG ARG A 42 29.126 30.686 24.864 1.00 49.82 C ATOM 660 CD ARG A 42 28.512 31.472 25.965 1.00 50.20 C ATOM 661 NE ARG A 42 29.135 31.277 27.265 1.00 49.30 N ATOM 662 CZ ARG A 42 28.843 31.994 28.368 1.00 50.64 C ATOM 663 NH1 ARG A 42 27.971 32.975 28.327 1.00 49.20 N ATOM 664 NH2 ARG A 42 29.476 31.698 29.490 1.00 49.20 N ATOM 0 H ARG A 42 32.374 32.121 22.692 1.00 49.53 H new ATOM 0 HA ARG A 42 31.299 29.441 23.401 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.201 30.742 25.359 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.628 32.158 24.501 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.520 30.807 23.966 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.097 29.629 25.129 1.00 49.82 H new ATOM 0 HD2 ARG A 42 28.559 32.530 25.709 1.00 50.20 H new ATOM 0 HD3 ARG A 42 27.457 31.208 26.038 1.00 50.20 H new ATOM 0 HE ARG A 42 29.842 30.547 27.347 1.00 49.30 H new ATOM 0 HH11 ARG A 42 27.503 33.205 27.451 1.00 49.20 H new ATOM 0 HH12 ARG A 42 27.762 33.507 29.172 1.00 49.20 H new ATOM 0 HH21 ARG A 42 30.164 30.945 29.504 1.00 49.20 H new ATOM 0 HH22 ARG A 42 29.277 32.223 30.342 1.00 49.20 H new ATOM 678 N LEU A 43 29.641 29.480 21.543 1.00 49.53 N ATOM 679 CA LEU A 43 28.674 29.534 20.417 1.00 50.07 C ATOM 680 C LEU A 43 27.326 29.221 21.056 1.00 50.51 C ATOM 681 O LEU A 43 27.246 28.276 21.853 1.00 49.49 O ATOM 682 CB LEU A 43 29.032 28.514 19.328 1.00 49.82 C ATOM 683 CG LEU A 43 30.403 28.715 18.672 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.674 27.594 17.676 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.444 30.070 17.983 1.00 49.73 C ATOM 0 H LEU A 43 29.932 28.539 21.810 1.00 49.53 H new ATOM 0 HA LEU A 43 28.674 30.503 19.917 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.998 27.515 19.763 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.267 28.551 18.553 1.00 49.82 H new ATOM 0 HG LEU A 43 31.179 28.688 19.436 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.650 27.745 17.215 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.662 26.636 18.195 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.904 27.598 16.905 1.00 49.73 H new ATOM 0 HD21 LEU A 43 31.419 30.212 17.517 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.667 30.114 17.220 1.00 49.73 H new ATOM 0 HD23 LEU A 43 30.275 30.857 18.718 1.00 49.73 H new ATOM 697 N ILE A 44 26.339 30.064 20.769 1.00 49.53 N ATOM 698 CA ILE A 44 25.001 29.942 21.336 1.00 50.07 C ATOM 699 C ILE A 44 23.911 29.901 20.271 1.00 50.51 C ATOM 700 O ILE A 44 23.841 30.722 19.380 1.00 49.49 O ATOM 701 CB ILE A 44 24.700 31.095 22.310 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.697 31.086 23.472 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.273 30.996 22.828 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.615 32.309 24.356 1.00 49.73 C ATOM 0 H ILE A 44 26.446 30.855 20.133 1.00 49.53 H new ATOM 0 HA ILE A 44 24.993 28.993 21.871 1.00 50.07 H new ATOM 0 HB ILE A 44 24.805 32.038 21.774 1.00 49.91 H new ATOM 0 HG12 ILE A 44 25.524 30.198 24.080 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.707 31.006 23.071 1.00 49.82 H new ATOM 0 HG21 ILE A 44 23.077 31.819 23.515 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.577 31.050 21.991 1.00 49.73 H new ATOM 0 HG23 ILE A 44 23.140 30.048 23.350 1.00 49.73 H new ATOM 0 HD11 ILE A 44 26.351 32.230 25.156 1.00 49.73 H new ATOM 0 HD12 ILE A 44 25.818 33.201 23.763 1.00 49.73 H new ATOM 0 HD13 ILE A 44 24.617 32.380 24.788 1.00 49.73 H new ATOM 716 N PHE A 45 23.014 28.891 20.421 1.00 49.53 N ATOM 717 CA PHE A 45 21.867 28.737 19.511 1.00 50.07 C ATOM 718 C PHE A 45 20.539 28.698 20.290 1.00 50.51 C ATOM 719 O PHE A 45 20.212 27.737 20.985 1.00 49.49 O ATOM 720 CB PHE A 45 22.021 27.469 18.668 1.00 49.82 C ATOM 721 CG PHE A 45 20.945 27.295 17.634 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.806 28.206 16.598 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.071 26.220 17.695 1.00 49.88 C ATOM 724 CE1 PHE A 45 19.817 28.047 15.646 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.082 26.058 16.744 1.00 49.88 C ATOM 726 CZ PHE A 45 18.955 26.973 15.718 1.00 49.88 C ATOM 0 H PHE A 45 23.068 28.185 21.155 1.00 49.53 H new ATOM 0 HA PHE A 45 21.847 29.603 18.849 1.00 50.07 H new ATOM 0 HB2 PHE A 45 22.990 27.490 18.170 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.021 26.602 19.329 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.478 29.049 16.534 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.165 25.501 18.495 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.719 28.765 14.845 1.00 49.88 H new ATOM 0 HE2 PHE A 45 18.408 25.216 16.803 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.183 26.848 14.974 1.00 49.88 H new ATOM 736 N ALA A 46 19.884 29.831 20.210 1.00 49.53 N ATOM 737 CA ALA A 46 18.556 30.042 20.819 1.00 50.07 C ATOM 738 C ALA A 46 18.637 29.656 22.288 1.00 50.51 C ATOM 739 O ALA A 46 17.822 28.876 22.806 1.00 49.49 O ATOM 740 CB ALA A 46 17.512 29.240 20.109 1.00 49.73 C ATOM 0 H ALA A 46 20.245 30.650 19.721 1.00 49.53 H new ATOM 0 HA ALA A 46 18.270 31.090 20.731 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.542 29.412 20.575 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.470 29.542 19.063 1.00 49.73 H new ATOM 0 HB3 ALA A 46 17.762 28.181 20.171 1.00 49.73 H new ATOM 746 N GLY A 47 19.652 30.167 22.921 1.00 49.53 N ATOM 747 CA GLY A 47 20.022 29.998 24.295 1.00 49.98 C ATOM 748 C GLY A 47 20.500 28.619 24.664 1.00 50.51 C ATOM 749 O GLY A 47 20.563 28.287 25.869 1.00 49.49 O ATOM 0 H GLY A 47 20.310 30.777 22.435 1.00 49.53 H new ATOM 0 HA2 GLY A 47 20.808 30.714 24.534 1.00 49.98 H new ATOM 0 HA3 GLY A 47 19.164 30.247 24.919 1.00 49.98 H new ATOM 753 N LYS A 48 20.887 27.825 23.703 1.00 49.53 N ATOM 754 CA LYS A 48 21.419 26.480 23.955 1.00 50.07 C ATOM 755 C LYS A 48 22.956 26.548 23.894 1.00 50.51 C ATOM 756 O LYS A 48 23.470 27.212 23.007 1.00 49.49 O ATOM 757 CB LYS A 48 20.882 25.479 22.929 1.00 49.82 C ATOM 758 CG LYS A 48 19.363 25.405 22.858 1.00 49.82 C ATOM 759 CD LYS A 48 18.903 24.152 22.126 1.00 49.82 C ATOM 760 CE LYS A 48 17.386 24.092 22.031 1.00 50.21 C ATOM 761 NZ LYS A 48 16.843 25.142 21.128 1.00 49.70 N ATOM 0 H LYS A 48 20.849 28.077 22.715 1.00 49.53 H new ATOM 0 HA LYS A 48 21.101 26.138 24.940 1.00 50.07 H new ATOM 0 HB2 LYS A 48 21.267 25.744 21.944 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.271 24.489 23.167 1.00 49.82 H new ATOM 0 HG2 LYS A 48 18.949 25.412 23.866 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.977 26.288 22.349 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.333 24.135 21.125 1.00 49.82 H new ATOM 0 HD3 LYS A 48 19.272 23.268 22.646 1.00 49.82 H new ATOM 0 HE2 LYS A 48 17.084 23.110 21.668 1.00 50.21 H new ATOM 0 HE3 LYS A 48 16.955 24.211 23.025 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 15.825 24.984 20.984 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 16.991 26.078 21.556 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 17.333 25.099 20.212 1.00 49.70 H new ATOM 775 N GLN A 49 23.630 25.880 24.790 1.00 49.53 N ATOM 776 CA GLN A 49 25.117 25.810 24.710 1.00 50.07 C ATOM 777 C GLN A 49 25.605 24.638 23.861 1.00 50.51 C ATOM 778 O GLN A 49 25.339 23.468 24.241 1.00 49.49 O ATOM 779 CB GLN A 49 25.719 25.708 26.114 1.00 49.82 C ATOM 780 CG GLN A 49 25.531 26.952 26.964 1.00 49.82 C ATOM 781 CD GLN A 49 26.354 26.913 28.238 1.00 50.55 C ATOM 782 OE1 GLN A 49 26.018 26.203 29.189 1.00 49.45 O ATOM 783 NE2 GLN A 49 27.437 27.683 28.265 1.00 49.38 N ATOM 0 H GLN A 49 23.214 25.379 25.575 1.00 49.53 H new ATOM 0 HA GLN A 49 25.449 26.728 24.226 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.270 24.859 26.629 1.00 49.82 H new ATOM 0 HB3 GLN A 49 26.785 25.500 26.026 1.00 49.82 H new ATOM 0 HG2 GLN A 49 25.808 27.831 26.382 1.00 49.82 H new ATOM 0 HG3 GLN A 49 24.477 27.058 27.219 1.00 49.82 H new ATOM 0 HE21 GLN A 49 27.677 28.254 27.455 1.00 49.38 H new ATOM 0 HE22 GLN A 49 28.028 27.703 29.096 1.00 49.38 H new ATOM 792 N LEU A 50 26.244 24.911 22.749 1.00 49.53 N ATOM 793 CA LEU A 50 26.680 23.863 21.813 1.00 50.07 C ATOM 794 C LEU A 50 27.806 22.992 22.345 1.00 50.51 C ATOM 795 O LEU A 50 28.797 23.550 22.774 1.00 49.49 O ATOM 796 CB LEU A 50 27.099 24.497 20.480 1.00 49.82 C ATOM 797 CG LEU A 50 26.051 25.414 19.836 1.00 49.91 C ATOM 798 CD1 LEU A 50 26.619 26.052 18.576 1.00 49.73 C ATOM 799 CD2 LEU A 50 24.799 24.610 19.516 1.00 49.73 C ATOM 0 H LEU A 50 26.483 25.858 22.454 1.00 49.53 H new ATOM 0 HA LEU A 50 25.823 23.204 21.673 1.00 50.07 H new ATOM 0 HB2 LEU A 50 28.012 25.071 20.640 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.342 23.700 19.777 1.00 49.82 H new ATOM 0 HG LEU A 50 25.788 26.210 20.532 1.00 49.91 H new ATOM 0 HD11 LEU A 50 25.868 26.701 18.126 1.00 49.73 H new ATOM 0 HD12 LEU A 50 27.500 26.640 18.832 1.00 49.73 H new ATOM 0 HD13 LEU A 50 26.896 25.272 17.867 1.00 49.73 H new ATOM 0 HD21 LEU A 50 24.055 25.262 19.059 1.00 49.73 H new ATOM 0 HD22 LEU A 50 25.050 23.805 18.825 1.00 49.73 H new ATOM 0 HD23 LEU A 50 24.394 24.186 20.435 1.00 49.73 H new ATOM 811 N GLU A 51 27.632 21.671 22.301 1.00 49.53 N ATOM 812 CA GLU A 51 28.659 20.759 22.848 1.00 50.07 C ATOM 813 C GLU A 51 29.576 20.382 21.716 1.00 50.51 C ATOM 814 O GLU A 51 29.091 20.112 20.619 1.00 49.49 O ATOM 815 CB GLU A 51 28.018 19.514 23.464 1.00 49.82 C ATOM 816 CG GLU A 51 27.177 19.788 24.703 1.00 49.72 C ATOM 817 CD GLU A 51 26.941 18.531 25.492 1.00 50.62 C ATOM 818 OE1 GLU A 51 27.898 17.879 25.836 1.00 49.24 O ATOM 819 OE2 GLU A 51 25.813 18.280 25.849 1.00 49.24 O ATOM 0 H GLU A 51 26.814 21.209 21.904 1.00 49.53 H new ATOM 0 HA GLU A 51 29.216 21.254 23.643 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.391 19.034 22.713 1.00 49.82 H new ATOM 0 HB3 GLU A 51 28.805 18.805 23.723 1.00 49.82 H new ATOM 0 HG2 GLU A 51 27.679 20.525 25.330 1.00 49.72 H new ATOM 0 HG3 GLU A 51 26.221 20.220 24.408 1.00 49.72 H new ATOM 826 N ASP A 52 30.870 20.346 21.912 1.00 49.53 N ATOM 827 CA ASP A 52 31.887 20.085 20.899 1.00 50.07 C ATOM 828 C ASP A 52 31.755 18.833 20.050 1.00 50.51 C ATOM 829 O ASP A 52 32.114 18.883 18.840 1.00 49.49 O ATOM 830 CB ASP A 52 33.269 20.086 21.558 1.00 49.72 C ATOM 831 CG ASP A 52 33.530 21.277 22.471 1.00 50.62 C ATOM 832 OD1 ASP A 52 32.688 21.570 23.286 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.626 21.783 22.456 1.00 49.24 O ATOM 0 H ASP A 52 31.276 20.506 22.834 1.00 49.53 H new ATOM 0 HA ASP A 52 31.738 20.897 20.187 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.383 19.169 22.136 1.00 49.72 H new ATOM 0 HB3 ASP A 52 34.030 20.068 20.778 1.00 49.72 H new ATOM 838 N GLY A 53 31.436 17.711 20.658 1.00 49.53 N ATOM 839 CA GLY A 53 31.327 16.402 19.987 1.00 49.98 C ATOM 840 C GLY A 53 30.196 16.149 19.047 1.00 50.51 C ATOM 841 O GLY A 53 30.234 15.190 18.242 1.00 49.49 O ATOM 0 H GLY A 53 31.237 17.666 21.657 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.253 16.240 19.435 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.282 15.639 20.764 1.00 49.98 H new ATOM 845 N ARG A 54 29.092 16.878 19.150 1.00 49.53 N ATOM 846 CA ARG A 54 27.962 16.738 18.209 1.00 50.07 C ATOM 847 C ARG A 54 28.160 17.531 16.926 1.00 50.51 C ATOM 848 O ARG A 54 28.892 18.544 16.913 1.00 49.49 O ATOM 849 CB ARG A 54 26.632 17.076 18.865 1.00 49.82 C ATOM 850 CG ARG A 54 26.163 16.081 19.913 1.00 49.82 C ATOM 851 CD ARG A 54 25.361 14.953 19.371 1.00 50.20 C ATOM 852 NE ARG A 54 24.936 13.982 20.367 1.00 49.30 N ATOM 853 CZ ARG A 54 24.183 12.897 20.105 1.00 50.64 C ATOM 854 NH1 ARG A 54 23.737 12.659 18.891 1.00 49.20 N ATOM 855 NH2 ARG A 54 23.882 12.089 21.107 1.00 49.20 N ATOM 0 H ARG A 54 28.944 17.579 19.876 1.00 49.53 H new ATOM 0 HA ARG A 54 27.936 15.686 17.927 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.712 18.059 19.329 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.870 17.151 18.089 1.00 49.82 H new ATOM 0 HG2 ARG A 54 27.034 15.677 20.429 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.568 16.609 20.658 1.00 49.82 H new ATOM 0 HD2 ARG A 54 24.478 15.357 18.876 1.00 50.20 H new ATOM 0 HD3 ARG A 54 25.948 14.440 18.609 1.00 50.20 H new ATOM 0 HE ARG A 54 25.229 14.134 21.332 1.00 49.30 H new ATOM 0 HH11 ARG A 54 23.960 13.301 18.131 1.00 49.20 H new ATOM 0 HH12 ARG A 54 23.168 11.832 18.710 1.00 49.20 H new ATOM 0 HH21 ARG A 54 24.219 12.296 22.047 1.00 49.20 H new ATOM 0 HH22 ARG A 54 23.313 11.259 20.940 1.00 49.20 H new ATOM 869 N THR A 55 27.457 17.153 15.888 1.00 49.53 N ATOM 870 CA THR A 55 27.473 17.844 14.579 1.00 50.07 C ATOM 871 C THR A 55 26.478 19.009 14.371 1.00 50.51 C ATOM 872 O THR A 55 25.559 19.189 15.162 1.00 49.49 O ATOM 873 CB THR A 55 27.262 16.835 13.435 1.00 50.14 C ATOM 874 OG1 THR A 55 25.965 16.238 13.555 1.00 49.34 O ATOM 875 CG2 THR A 55 28.323 15.747 13.481 1.00 49.73 C ATOM 0 H THR A 55 26.838 16.342 15.908 1.00 49.53 H new ATOM 0 HA THR A 55 28.461 18.304 14.570 1.00 50.07 H new ATOM 0 HB THR A 55 27.340 17.364 12.485 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.418 16.485 12.780 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.158 15.043 12.665 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.310 16.197 13.378 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.262 15.220 14.433 1.00 49.73 H new ATOM 883 N LEU A 56 26.773 19.838 13.390 1.00 49.53 N ATOM 884 CA LEU A 56 25.899 20.965 13.021 1.00 50.07 C ATOM 885 C LEU A 56 24.486 20.479 12.708 1.00 50.51 C ATOM 886 O LEU A 56 23.558 21.165 13.037 1.00 49.49 O ATOM 887 CB LEU A 56 26.483 21.719 11.819 1.00 49.82 C ATOM 888 CG LEU A 56 27.082 23.094 12.140 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.863 23.031 13.446 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.981 23.537 10.996 1.00 49.73 C ATOM 0 H LEU A 56 27.616 19.762 12.821 1.00 49.53 H new ATOM 0 HA LEU A 56 25.843 21.646 13.870 1.00 50.07 H new ATOM 0 HB2 LEU A 56 27.256 21.101 11.363 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.698 21.847 11.074 1.00 49.82 H new ATOM 0 HG LEU A 56 26.279 23.822 12.257 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.285 24.012 13.666 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.196 22.733 14.255 1.00 49.73 H new ATOM 0 HD13 LEU A 56 28.668 22.302 13.354 1.00 49.73 H new ATOM 0 HD21 LEU A 56 28.406 24.514 11.225 1.00 49.73 H new ATOM 0 HD22 LEU A 56 28.785 22.813 10.864 1.00 49.73 H new ATOM 0 HD23 LEU A 56 27.397 23.602 10.078 1.00 49.73 H new ATOM 902 N SER A 57 24.361 19.242 12.183 1.00 49.53 N ATOM 903 CA SER A 57 22.989 18.772 11.867 1.00 50.07 C ATOM 904 C SER A 57 22.191 18.467 13.116 1.00 50.51 C ATOM 905 O SER A 57 20.929 18.587 13.114 1.00 49.49 O ATOM 906 CB SER A 57 23.053 17.547 10.975 1.00 50.05 C ATOM 907 OG SER A 57 23.624 16.449 11.630 1.00 49.34 O ATOM 0 H SER A 57 25.122 18.594 11.981 1.00 49.53 H new ATOM 0 HA SER A 57 22.477 19.579 11.342 1.00 50.07 H new ATOM 0 HB2 SER A 57 22.048 17.288 10.643 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.634 17.779 10.082 1.00 50.05 H new ATOM 0 HG SER A 57 23.645 15.680 11.022 1.00 49.34 H new ATOM 913 N ASP A 58 22.871 18.110 14.191 1.00 49.53 N ATOM 914 CA ASP A 58 22.186 17.793 15.473 1.00 50.07 C ATOM 915 C ASP A 58 21.521 18.995 16.151 1.00 50.51 C ATOM 916 O ASP A 58 20.841 18.886 17.177 1.00 49.49 O ATOM 917 CB ASP A 58 23.172 17.142 16.445 1.00 49.72 C ATOM 918 CG ASP A 58 23.610 15.738 16.049 1.00 50.62 C ATOM 919 OD1 ASP A 58 22.897 15.099 15.314 1.00 49.24 O ATOM 920 OD2 ASP A 58 24.721 15.376 16.355 1.00 49.24 O ATOM 0 H ASP A 58 23.887 18.027 14.223 1.00 49.53 H new ATOM 0 HA ASP A 58 21.381 17.106 15.213 1.00 50.07 H new ATOM 0 HB2 ASP A 58 24.055 17.776 16.527 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.716 17.102 17.434 1.00 49.72 H new ATOM 925 N TYR A 59 21.874 20.158 15.685 1.00 49.53 N ATOM 926 CA TYR A 59 21.351 21.432 16.175 1.00 50.07 C ATOM 927 C TYR A 59 20.313 22.092 15.294 1.00 50.51 C ATOM 928 O TYR A 59 20.029 23.284 15.524 1.00 49.49 O ATOM 929 CB TYR A 59 22.506 22.409 16.409 1.00 49.82 C ATOM 930 CG TYR A 59 23.559 21.895 17.366 1.00 50.00 C ATOM 931 CD1 TYR A 59 23.245 21.621 18.689 1.00 49.88 C ATOM 932 CD2 TYR A 59 24.864 21.687 16.945 1.00 49.88 C ATOM 933 CE1 TYR A 59 24.202 21.151 19.567 1.00 49.88 C ATOM 934 CE2 TYR A 59 25.830 21.217 17.814 1.00 49.88 C ATOM 935 CZ TYR A 59 25.494 20.950 19.126 1.00 50.11 C ATOM 936 OH TYR A 59 26.451 20.484 19.996 1.00 49.46 O ATOM 0 H TYR A 59 22.553 20.266 14.931 1.00 49.53 H new ATOM 0 HA TYR A 59 20.834 21.186 17.102 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.977 22.635 15.453 1.00 49.82 H new ATOM 0 HB3 TYR A 59 22.104 23.346 16.795 1.00 49.82 H new ATOM 0 HD1 TYR A 59 22.235 21.778 19.038 1.00 49.88 H new ATOM 0 HD2 TYR A 59 25.130 21.896 15.919 1.00 49.88 H new ATOM 0 HE1 TYR A 59 23.940 20.942 20.594 1.00 49.88 H new ATOM 0 HE2 TYR A 59 26.841 21.060 17.469 1.00 49.88 H new ATOM 0 HH TYR A 59 27.341 20.642 19.618 1.00 49.46 H new ATOM 946 N ASN A 60 19.715 21.433 14.325 1.00 49.53 N ATOM 947 CA ASN A 60 18.705 22.116 13.491 1.00 50.07 C ATOM 948 C ASN A 60 19.372 23.234 12.700 1.00 50.51 C ATOM 949 O ASN A 60 18.700 24.135 12.159 1.00 49.49 O ATOM 950 CB ASN A 60 17.563 22.663 14.328 1.00 49.82 C ATOM 951 CG ASN A 60 16.234 22.645 13.624 1.00 50.55 C ATOM 952 OD1 ASN A 60 15.904 21.697 12.903 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.506 23.723 13.765 1.00 49.38 N ATOM 0 H ASN A 60 19.891 20.457 14.087 1.00 49.53 H new ATOM 0 HA ASN A 60 18.279 21.387 12.802 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.486 22.080 15.246 1.00 49.82 H new ATOM 0 HB3 ASN A 60 17.796 23.687 14.619 1.00 49.82 H new ATOM 0 HD21 ASN A 60 14.620 23.809 13.267 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.824 24.477 14.373 1.00 49.38 H new ATOM 960 N ILE A 61 20.679 23.162 12.552 1.00 49.53 N ATOM 961 CA ILE A 61 21.424 24.154 11.718 1.00 50.07 C ATOM 962 C ILE A 61 21.378 23.858 10.223 1.00 50.51 C ATOM 963 O ILE A 61 22.199 22.980 9.821 1.00 49.49 O ATOM 964 CB ILE A 61 22.896 24.252 12.157 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.990 24.647 13.632 1.00 49.82 C ATOM 966 CG2 ILE A 61 23.644 25.250 11.286 1.00 49.73 C ATOM 967 CD1 ILE A 61 22.185 25.877 13.987 1.00 49.73 C ATOM 0 H ILE A 61 21.264 22.446 12.982 1.00 49.53 H new ATOM 0 HA ILE A 61 20.913 25.103 11.882 1.00 50.07 H new ATOM 0 HB ILE A 61 23.360 23.273 12.035 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.649 23.812 14.244 1.00 49.82 H new ATOM 0 HG13 ILE A 61 24.035 24.823 13.886 1.00 49.82 H new ATOM 0 HG21 ILE A 61 24.683 25.308 11.609 1.00 49.73 H new ATOM 0 HG22 ILE A 61 23.605 24.926 10.246 1.00 49.73 H new ATOM 0 HG23 ILE A 61 23.180 26.232 11.378 1.00 49.73 H new ATOM 0 HD11 ILE A 61 22.302 26.094 15.049 1.00 49.73 H new ATOM 0 HD12 ILE A 61 22.540 26.725 13.402 1.00 49.73 H new ATOM 0 HD13 ILE A 61 21.132 25.699 13.767 1.00 49.73 H new ATOM 979 N GLN A 62 20.532 24.515 9.481 1.00 49.53 N ATOM 980 CA GLN A 62 20.347 24.266 8.021 1.00 50.07 C ATOM 981 C GLN A 62 20.543 25.526 7.176 1.00 50.51 C ATOM 982 O GLN A 62 21.665 26.058 7.112 1.00 49.49 O ATOM 983 CB GLN A 62 18.956 23.685 7.755 1.00 49.82 C ATOM 984 CG GLN A 62 18.737 22.300 8.340 1.00 49.82 C ATOM 985 CD GLN A 62 17.276 21.890 8.327 1.00 50.55 C ATOM 986 OE1 GLN A 62 16.446 22.683 7.660 1.00 49.45 O flip ATOM 987 NE2 GLN A 62 16.898 20.870 8.909 1.00 49.38 N flip ATOM 0 H GLN A 62 19.930 25.253 9.847 1.00 49.53 H new ATOM 0 HA GLN A 62 21.115 23.551 7.726 1.00 50.07 H new ATOM 0 HB2 GLN A 62 18.207 24.363 8.165 1.00 49.82 H new ATOM 0 HB3 GLN A 62 18.792 23.642 6.678 1.00 49.82 H new ATOM 0 HG2 GLN A 62 19.320 21.573 7.774 1.00 49.82 H new ATOM 0 HG3 GLN A 62 19.108 22.279 9.365 1.00 49.82 H new ATOM 0 HE21 GLN A 62 17.571 20.290 9.410 1.00 49.38 H new ATOM 0 HE22 GLN A 62 15.913 20.607 8.889 1.00 49.38 H new ATOM 996 N LYS A 63 19.487 25.996 6.513 1.00 49.53 N ATOM 997 CA LYS A 63 19.565 27.141 5.632 1.00 50.07 C ATOM 998 C LYS A 63 19.373 28.454 6.386 1.00 50.51 C ATOM 999 O LYS A 63 18.473 28.639 7.190 1.00 49.49 O ATOM 1000 CB LYS A 63 18.529 27.025 4.513 1.00 49.82 C ATOM 1001 CG LYS A 63 18.911 26.059 3.399 1.00 49.82 C ATOM 1002 CD LYS A 63 20.095 26.579 2.598 1.00 49.82 C ATOM 1003 CE LYS A 63 20.442 25.643 1.450 1.00 50.21 C ATOM 1004 NZ LYS A 63 19.355 25.579 0.436 1.00 49.70 N ATOM 0 H LYS A 63 18.555 25.586 6.578 1.00 49.53 H new ATOM 0 HA LYS A 63 20.565 27.149 5.199 1.00 50.07 H new ATOM 0 HB2 LYS A 63 17.580 26.706 4.945 1.00 49.82 H new ATOM 0 HB3 LYS A 63 18.367 28.013 4.081 1.00 49.82 H new ATOM 0 HG2 LYS A 63 19.157 25.087 3.826 1.00 49.82 H new ATOM 0 HG3 LYS A 63 18.059 25.909 2.736 1.00 49.82 H new ATOM 0 HD2 LYS A 63 19.864 27.569 2.205 1.00 49.82 H new ATOM 0 HD3 LYS A 63 20.959 26.690 3.253 1.00 49.82 H new ATOM 0 HE2 LYS A 63 21.363 25.979 0.974 1.00 50.21 H new ATOM 0 HE3 LYS A 63 20.632 24.644 1.842 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 19.715 25.130 -0.431 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 18.562 25.021 0.812 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 19.027 26.541 0.217 1.00 49.70 H new ATOM 1018 N GLU A 64 20.346 29.341 6.129 1.00 49.53 N ATOM 1019 CA GLU A 64 20.430 30.666 6.684 1.00 50.07 C ATOM 1020 C GLU A 64 20.318 30.756 8.176 1.00 50.51 C ATOM 1021 O GLU A 64 19.800 31.747 8.750 1.00 49.49 O ATOM 1022 CB GLU A 64 19.369 31.563 6.044 1.00 49.82 C ATOM 1023 CG GLU A 64 19.381 31.564 4.521 1.00 49.72 C ATOM 1024 CD GLU A 64 18.477 32.631 3.969 1.00 50.62 C ATOM 1025 OE1 GLU A 64 17.855 33.316 4.744 1.00 49.24 O ATOM 1026 OE2 GLU A 64 18.493 32.837 2.778 1.00 49.24 O ATOM 0 H GLU A 64 21.120 29.128 5.500 1.00 49.53 H new ATOM 0 HA GLU A 64 21.440 31.001 6.450 1.00 50.07 H new ATOM 0 HB2 GLU A 64 18.385 31.243 6.387 1.00 49.82 H new ATOM 0 HB3 GLU A 64 19.513 32.584 6.397 1.00 49.82 H new ATOM 0 HG2 GLU A 64 20.398 31.725 4.163 1.00 49.72 H new ATOM 0 HG3 GLU A 64 19.064 30.589 4.152 1.00 49.72 H new ATOM 1033 N SER A 65 20.936 29.792 8.839 1.00 49.53 N ATOM 1034 CA SER A 65 21.044 29.753 10.303 1.00 50.07 C ATOM 1035 C SER A 65 22.022 30.847 10.791 1.00 50.51 C ATOM 1036 O SER A 65 22.959 31.198 10.083 1.00 49.49 O ATOM 1037 CB SER A 65 21.503 28.382 10.761 1.00 50.05 C ATOM 1038 OG SER A 65 21.939 28.391 12.092 1.00 49.34 O ATOM 0 H SER A 65 21.385 29.001 8.377 1.00 49.53 H new ATOM 0 HA SER A 65 20.062 29.947 10.735 1.00 50.07 H new ATOM 0 HB2 SER A 65 20.684 27.671 10.653 1.00 50.05 H new ATOM 0 HB3 SER A 65 22.312 28.037 10.117 1.00 50.05 H new ATOM 0 HG SER A 65 22.912 28.280 12.118 1.00 49.34 H new ATOM 1044 N THR A 66 21.780 31.378 11.960 1.00 49.53 N ATOM 1045 CA THR A 66 22.671 32.362 12.585 1.00 50.07 C ATOM 1046 C THR A 66 23.065 31.964 14.006 1.00 50.51 C ATOM 1047 O THR A 66 22.157 31.829 14.857 1.00 49.49 O ATOM 1048 CB THR A 66 22.027 33.761 12.619 1.00 50.14 C ATOM 1049 OG1 THR A 66 21.682 34.163 11.288 1.00 49.34 O ATOM 1050 CG2 THR A 66 22.988 34.776 13.218 1.00 49.73 C ATOM 0 H THR A 66 20.959 31.149 12.521 1.00 49.53 H new ATOM 0 HA THR A 66 23.570 32.389 11.969 1.00 50.07 H new ATOM 0 HB THR A 66 21.130 33.717 13.237 1.00 50.14 H new ATOM 0 HG1 THR A 66 21.271 35.052 11.311 1.00 49.34 H new ATOM 0 HG21 THR A 66 22.516 35.758 13.234 1.00 49.73 H new ATOM 0 HG22 THR A 66 23.243 34.479 14.235 1.00 49.73 H new ATOM 0 HG23 THR A 66 23.895 34.819 12.615 1.00 49.73 H new ATOM 1058 N LEU A 67 24.356 31.711 14.246 1.00 49.53 N ATOM 1059 CA LEU A 67 24.815 31.430 15.612 1.00 50.07 C ATOM 1060 C LEU A 67 25.332 32.701 16.317 1.00 50.51 C ATOM 1061 O LEU A 67 26.090 33.405 15.630 1.00 49.49 O ATOM 1062 CB LEU A 67 25.907 30.354 15.589 1.00 49.82 C ATOM 1063 CG LEU A 67 25.509 29.034 14.918 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.624 28.008 15.080 1.00 49.73 C ATOM 1065 CD2 LEU A 67 24.214 28.522 15.529 1.00 49.73 C ATOM 0 H LEU A 67 25.086 31.695 13.533 1.00 49.53 H new ATOM 0 HA LEU A 67 23.960 31.065 16.181 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.780 30.756 15.074 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.210 30.145 16.615 1.00 49.82 H new ATOM 0 HG LEU A 67 25.352 29.202 13.853 1.00 49.91 H new ATOM 0 HD11 LEU A 67 26.332 27.074 14.600 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.535 28.385 14.616 1.00 49.73 H new ATOM 0 HD13 LEU A 67 26.804 27.830 16.140 1.00 49.73 H new ATOM 0 HD21 LEU A 67 23.932 27.584 15.051 1.00 49.73 H new ATOM 0 HD22 LEU A 67 24.356 28.357 16.597 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.424 29.258 15.377 1.00 49.73 H new ATOM 1077 N HIS A 68 25.078 32.838 17.570 1.00 49.53 N ATOM 1078 CA HIS A 68 25.599 34.025 18.292 1.00 50.07 C ATOM 1079 C HIS A 68 26.989 33.666 18.814 1.00 50.51 C ATOM 1080 O HIS A 68 27.200 32.563 19.362 1.00 49.49 O ATOM 1081 CB HIS A 68 24.673 34.423 19.447 1.00 49.92 C ATOM 1082 CG HIS A 68 23.390 35.050 18.999 1.00 50.22 C ATOM 1083 ND1 HIS A 68 22.239 35.010 19.756 1.00 49.30 N ATOM 1084 CD2 HIS A 68 23.076 35.732 17.872 1.00 49.95 C ATOM 1085 CE1 HIS A 68 21.271 35.642 19.114 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.754 36.088 17.970 1.00 49.64 N ATOM 0 H HIS A 68 24.533 32.185 18.134 1.00 49.53 H new ATOM 0 HA HIS A 68 25.649 34.882 17.620 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.447 33.538 20.041 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.199 35.119 20.100 1.00 49.92 H new ATOM 0 HD2 HIS A 68 23.741 35.954 17.050 1.00 49.95 H new ATOM 0 HE1 HIS A 68 20.258 35.771 19.466 1.00 50.25 H new ATOM 0 HE2 HIS A 68 21.229 36.613 17.271 1.00 49.64 H new ATOM 1094 N LEU A 69 27.922 34.596 18.705 1.00 49.53 N ATOM 1095 CA LEU A 69 29.270 34.408 19.231 1.00 50.07 C ATOM 1096 C LEU A 69 29.443 35.250 20.460 1.00 50.51 C ATOM 1097 O LEU A 69 29.087 36.481 20.393 1.00 49.49 O ATOM 1098 CB LEU A 69 30.316 34.774 18.172 1.00 49.82 C ATOM 1099 CG LEU A 69 31.776 34.687 18.638 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.118 33.252 19.015 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.693 35.187 17.532 1.00 49.73 C ATOM 0 H LEU A 69 27.772 35.498 18.253 1.00 49.53 H new ATOM 0 HA LEU A 69 29.412 33.360 19.493 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.186 34.116 17.313 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.121 35.790 17.828 1.00 49.82 H new ATOM 0 HG LEU A 69 31.915 35.314 19.519 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.156 33.200 19.344 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.464 32.922 19.822 1.00 49.73 H new ATOM 0 HD13 LEU A 69 31.979 32.605 18.149 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.730 35.125 17.863 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.559 34.572 16.642 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.448 36.223 17.297 1.00 49.73 H new ATOM 1113 N VAL A 70 29.794 34.692 21.572 1.00 49.53 N ATOM 1114 CA VAL A 70 30.083 35.502 22.790 1.00 50.07 C ATOM 1115 C VAL A 70 31.365 35.002 23.472 1.00 50.51 C ATOM 1116 O VAL A 70 31.477 33.786 23.742 1.00 49.49 O ATOM 1117 CB VAL A 70 28.919 35.448 23.797 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.201 36.352 24.988 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.613 35.847 23.125 1.00 49.73 C ATOM 0 H VAL A 70 29.897 33.685 21.699 1.00 49.53 H new ATOM 0 HA VAL A 70 30.214 36.535 22.469 1.00 50.07 H new ATOM 0 HB VAL A 70 28.824 34.423 24.156 1.00 49.91 H new ATOM 0 HG11 VAL A 70 28.368 36.301 25.689 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.114 36.024 25.485 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.324 37.379 24.644 1.00 49.73 H new ATOM 0 HG21 VAL A 70 26.802 35.803 23.852 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.699 36.862 22.738 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.402 35.162 22.304 1.00 49.73 H new ATOM 1129 N LEU A 71 32.303 35.887 23.724 1.00 49.53 N ATOM 1130 CA LEU A 71 33.555 35.497 24.409 1.00 50.07 C ATOM 1131 C LEU A 71 33.541 35.121 25.866 1.00 50.51 C ATOM 1132 O LEU A 71 32.902 35.794 26.701 1.00 49.49 O ATOM 1133 CB LEU A 71 34.592 36.609 24.205 1.00 49.82 C ATOM 1134 CG LEU A 71 35.165 36.716 22.786 1.00 49.91 C ATOM 1135 CD1 LEU A 71 35.917 38.030 22.623 1.00 49.73 C ATOM 1136 CD2 LEU A 71 36.082 35.533 22.517 1.00 49.73 C ATOM 0 H LEU A 71 32.243 36.875 23.476 1.00 49.53 H new ATOM 0 HA LEU A 71 33.786 34.546 23.930 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.135 37.563 24.468 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.415 36.448 24.901 1.00 49.82 H new ATOM 0 HG LEU A 71 34.349 36.699 22.063 1.00 49.91 H new ATOM 0 HD11 LEU A 71 36.320 38.096 21.612 1.00 49.73 H new ATOM 0 HD12 LEU A 71 35.236 38.863 22.797 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.734 38.073 23.343 1.00 49.73 H new ATOM 0 HD21 LEU A 71 36.489 35.610 21.509 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.899 35.534 23.239 1.00 49.73 H new ATOM 0 HD23 LEU A 71 35.517 34.606 22.611 1.00 49.73 H new ATOM 1148 N ARG A 72 34.275 34.136 26.228 1.00 49.53 N ATOM 1149 CA ARG A 72 34.408 33.689 27.630 1.00 50.07 C ATOM 1150 C ARG A 72 35.897 33.896 27.903 1.00 50.51 C ATOM 1151 O ARG A 72 36.636 33.011 27.364 1.00 49.49 O ATOM 1152 CB ARG A 72 33.954 32.253 27.857 1.00 49.82 C ATOM 1153 CG ARG A 72 33.959 31.802 29.308 1.00 49.82 C ATOM 1154 CD ARG A 72 33.667 30.359 29.502 1.00 50.20 C ATOM 1155 NE ARG A 72 33.757 29.905 30.880 1.00 49.30 N ATOM 1156 CZ ARG A 72 32.787 30.063 31.802 1.00 50.64 C ATOM 1157 NH1 ARG A 72 31.671 30.694 31.510 1.00 49.20 N ATOM 1158 NH2 ARG A 72 32.998 29.587 33.017 1.00 49.20 N ATOM 0 H ARG A 72 34.826 33.583 25.571 1.00 49.53 H new ATOM 0 HA ARG A 72 33.764 34.244 28.312 1.00 50.07 H new ATOM 0 HB2 ARG A 72 32.945 32.139 27.460 1.00 49.82 H new ATOM 0 HB3 ARG A 72 34.599 31.588 27.283 1.00 49.82 H new ATOM 0 HG2 ARG A 72 34.934 32.025 29.742 1.00 49.82 H new ATOM 0 HG3 ARG A 72 33.223 32.387 29.860 1.00 49.82 H new ATOM 0 HD2 ARG A 72 32.664 30.151 29.129 1.00 50.20 H new ATOM 0 HD3 ARG A 72 34.360 29.776 28.895 1.00 50.20 H new ATOM 0 HE ARG A 72 34.614 29.434 31.169 1.00 49.30 H new ATOM 0 HH11 ARG A 72 31.529 31.073 30.574 1.00 49.20 H new ATOM 0 HH12 ARG A 72 30.947 30.805 32.220 1.00 49.20 H new ATOM 0 HH21 ARG A 72 33.876 29.116 33.235 1.00 49.20 H new ATOM 0 HH22 ARG A 72 32.283 29.691 33.737 1.00 49.20 H new ATOM 1172 N LEU A 73 36.304 34.869 28.649 1.00 49.53 N ATOM 1173 CA LEU A 73 37.755 35.064 28.891 1.00 50.07 C ATOM 1174 C LEU A 73 38.253 34.640 30.265 1.00 50.51 C ATOM 1175 O LEU A 73 37.690 35.026 31.300 1.00 49.49 O ATOM 1176 CB LEU A 73 38.123 36.531 28.642 1.00 49.82 C ATOM 1177 CG LEU A 73 38.391 36.898 27.177 1.00 49.91 C ATOM 1178 CD1 LEU A 73 37.075 37.117 26.444 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.256 38.148 27.115 1.00 49.73 C ATOM 0 H LEU A 73 35.693 35.545 29.107 1.00 49.53 H new ATOM 0 HA LEU A 73 38.255 34.398 28.188 1.00 50.07 H new ATOM 0 HB2 LEU A 73 37.315 37.160 29.015 1.00 49.82 H new ATOM 0 HB3 LEU A 73 39.010 36.771 29.228 1.00 49.82 H new ATOM 0 HG LEU A 73 38.921 36.080 26.689 1.00 49.91 H new ATOM 0 HD11 LEU A 73 37.276 37.377 25.405 1.00 49.73 H new ATOM 0 HD12 LEU A 73 36.481 36.204 26.481 1.00 49.73 H new ATOM 0 HD13 LEU A 73 36.524 37.927 26.921 1.00 49.73 H new ATOM 0 HD21 LEU A 73 39.446 38.408 26.074 1.00 49.73 H new ATOM 0 HD22 LEU A 73 38.740 38.973 27.606 1.00 49.73 H new ATOM 0 HD23 LEU A 73 40.203 37.960 27.621 1.00 49.73 H new ATOM 1191 N ARG A 74 39.291 33.818 30.226 1.00 49.53 N ATOM 1192 CA ARG A 74 39.917 33.286 31.448 1.00 50.07 C ATOM 1193 C ARG A 74 41.018 34.255 31.868 1.00 50.51 C ATOM 1194 O ARG A 74 42.213 34.006 31.625 1.00 49.49 O ATOM 1195 CB ARG A 74 40.438 31.867 31.269 1.00 49.82 C ATOM 1196 CG ARG A 74 39.365 30.791 31.228 1.00 49.82 C ATOM 1197 CD ARG A 74 39.833 29.480 30.711 1.00 50.20 C ATOM 1198 NE ARG A 74 38.873 28.397 30.860 1.00 49.30 N ATOM 1199 CZ ARG A 74 37.820 28.191 30.045 1.00 50.64 C ATOM 1200 NH1 ARG A 74 37.565 29.010 29.047 1.00 49.20 N ATOM 1201 NH2 ARG A 74 37.035 27.157 30.288 1.00 49.20 N ATOM 0 H ARG A 74 39.726 33.498 29.361 1.00 49.53 H new ATOM 0 HA ARG A 74 39.168 33.211 32.236 1.00 50.07 H new ATOM 0 HB2 ARG A 74 41.014 31.821 30.344 1.00 49.82 H new ATOM 0 HB3 ARG A 74 41.126 31.643 32.084 1.00 49.82 H new ATOM 0 HG2 ARG A 74 38.969 30.651 32.234 1.00 49.82 H new ATOM 0 HG3 ARG A 74 38.541 31.140 30.606 1.00 49.82 H new ATOM 0 HD2 ARG A 74 40.080 29.587 29.655 1.00 50.20 H new ATOM 0 HD3 ARG A 74 40.753 29.207 31.228 1.00 50.20 H new ATOM 0 HE ARG A 74 39.006 27.748 31.636 1.00 49.30 H new ATOM 0 HH11 ARG A 74 38.169 29.815 28.881 1.00 49.20 H new ATOM 0 HH12 ARG A 74 36.764 28.840 28.439 1.00 49.20 H new ATOM 0 HH21 ARG A 74 37.234 26.540 31.075 1.00 49.20 H new ATOM 0 HH22 ARG A 74 36.230 26.976 29.688 1.00 49.20 H new ATOM 1215 N GLY A 75 40.601 35.283 32.597 1.00 49.53 N ATOM 1216 CA GLY A 75 41.495 36.313 33.109 1.00 49.98 C ATOM 1217 C GLY A 75 40.619 37.549 33.087 1.00 50.51 C ATOM 1218 O GLY A 75 39.645 37.658 32.321 1.00 49.49 O ATOM 0 H GLY A 75 39.624 35.426 32.851 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.846 36.082 34.115 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.379 36.431 32.482 1.00 49.98 H new ATOM 1222 N GLY A 76 41.010 38.493 33.922 1.00 49.53 N ATOM 1223 CA GLY A 76 40.346 39.795 34.084 1.00 49.98 C ATOM 1224 C GLY A 76 40.037 39.917 35.585 1.00 50.51 C ATOM 1225 O GLY A 76 38.927 40.401 35.884 1.00 49.49 O ATOM 0 H GLY A 76 41.822 38.382 34.530 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.990 40.608 33.749 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.433 39.846 33.490 1.00 49.98 H new