USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0952 (180deg=-0.66) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.12 (180deg=1.04) USER MOD Single : A 2 GLN : amide:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 79:sc= 0.878 USER MOD Single : A 9 THR OG1 : rot 170:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 137:sc= 0.591 (180deg=-0.692) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 65:sc= 1.25 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 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 0.168 (180deg=0.166) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.8!) USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= -0.0104 (180deg=-0.0714) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 41 GLN : amide:sc= -0.315 X(o=-0.31,f=-0.75) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0731 K(o=-0.073,f=-6.3!) USER MOD Single : A 55 THR OG1 : rot -53:sc= 1.21 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -24:sc= 2.37 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 109:sc= 0.39 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.339 31.454 15.925 1.00 0.00 N ATOM 2 CA MET A 1 14.221 31.375 17.391 1.00 0.00 C ATOM 3 C MET A 1 15.553 31.901 17.936 1.00 0.00 C ATOM 4 O MET A 1 16.597 31.580 17.377 1.00 0.00 O ATOM 5 CB MET A 1 14.156 29.881 17.729 1.00 0.00 C ATOM 6 CG MET A 1 13.630 29.501 19.115 1.00 0.00 C ATOM 7 SD MET A 1 13.407 27.712 19.225 1.00 0.00 S ATOM 8 CE MET A 1 15.119 27.152 19.028 1.00 0.00 C ATOM 0 H1 MET A 1 13.482 31.062 15.486 1.00 0.00 H new ATOM 0 H2 MET A 1 14.451 32.448 15.639 1.00 0.00 H new ATOM 0 H3 MET A 1 15.168 30.908 15.614 1.00 0.00 H new ATOM 0 HA MET A 1 13.364 31.920 17.787 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.528 29.393 16.984 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.158 29.466 17.622 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.328 29.836 19.882 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.683 30.006 19.304 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.217 26.138 19.416 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.386 27.164 17.971 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.785 27.817 19.578 1.00 0.00 H new ATOM 20 N GLN A 2 15.619 32.625 19.051 1.00 0.00 N ATOM 21 CA GLN A 2 16.827 33.008 19.760 1.00 0.00 C ATOM 22 C GLN A 2 17.326 31.971 20.766 1.00 0.00 C ATOM 23 O GLN A 2 16.593 31.252 21.432 1.00 0.00 O ATOM 24 CB GLN A 2 16.489 34.296 20.524 1.00 0.00 C ATOM 25 CG GLN A 2 16.082 35.463 19.623 1.00 0.00 C ATOM 26 CD GLN A 2 15.374 36.630 20.298 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.716 37.396 19.605 1.00 0.00 O ATOM 28 NE2 GLN A 2 15.412 36.852 21.612 1.00 0.00 N ATOM 0 H GLN A 2 14.778 32.979 19.507 1.00 0.00 H new ATOM 0 HA GLN A 2 17.625 33.121 19.026 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.679 34.090 21.223 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.354 34.592 21.117 1.00 0.00 H new ATOM 0 HG2 GLN A 2 16.978 35.845 19.134 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.431 35.077 18.839 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.950 36.233 22.218 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.903 37.640 22.011 1.00 0.00 H new ATOM 37 N ILE A 3 18.640 31.820 20.931 1.00 0.00 N ATOM 38 CA ILE A 3 19.202 31.029 22.010 1.00 0.00 C ATOM 39 C ILE A 3 20.298 31.868 22.654 1.00 0.00 C ATOM 40 O ILE A 3 20.743 32.861 22.064 1.00 0.00 O ATOM 41 CB ILE A 3 19.625 29.668 21.440 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.624 29.638 20.278 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.451 28.835 20.933 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.144 28.276 19.823 1.00 0.00 C ATOM 0 H ILE A 3 19.338 32.244 20.319 1.00 0.00 H new ATOM 0 HA ILE A 3 18.501 30.788 22.809 1.00 0.00 H new ATOM 0 HB ILE A 3 20.112 29.270 22.330 1.00 0.00 H new ATOM 0 HG12 ILE A 3 20.156 30.121 19.421 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.483 30.248 20.558 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.820 27.886 20.544 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.758 28.646 21.753 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.936 29.377 20.140 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.841 28.410 18.995 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.655 27.786 20.652 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.308 27.658 19.497 1.00 0.00 H new ATOM 56 N PHE A 4 20.759 31.487 23.838 1.00 0.00 N ATOM 57 CA PHE A 4 21.877 32.158 24.463 1.00 0.00 C ATOM 58 C PHE A 4 23.048 31.164 24.490 1.00 0.00 C ATOM 59 O PHE A 4 22.880 29.976 24.733 1.00 0.00 O ATOM 60 CB PHE A 4 21.470 32.492 25.895 1.00 0.00 C ATOM 61 CG PHE A 4 20.498 33.646 25.977 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.976 34.953 25.809 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.147 33.439 26.281 1.00 0.00 C ATOM 64 CE1 PHE A 4 20.058 36.003 25.814 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.329 34.531 26.581 1.00 0.00 C ATOM 66 CZ PHE A 4 18.744 35.835 26.260 1.00 0.00 C ATOM 0 H PHE A 4 20.371 30.715 24.381 1.00 0.00 H new ATOM 0 HA PHE A 4 22.160 33.066 23.930 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.020 31.612 26.354 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.362 32.733 26.474 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.031 35.143 25.679 1.00 0.00 H new ATOM 0 HD2 PHE A 4 18.739 32.439 26.284 1.00 0.00 H new ATOM 0 HE1 PHE A 4 20.372 36.975 25.463 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.375 34.373 27.061 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.073 36.676 26.354 1.00 0.00 H new ATOM 76 N VAL A 5 24.267 31.632 24.230 1.00 0.00 N ATOM 77 CA VAL A 5 25.509 30.914 24.040 1.00 0.00 C ATOM 78 C VAL A 5 26.565 31.444 25.013 1.00 0.00 C ATOM 79 O VAL A 5 27.229 32.439 24.724 1.00 0.00 O ATOM 80 CB VAL A 5 25.790 30.728 22.542 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.077 29.977 22.195 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.659 30.125 21.716 1.00 0.00 C ATOM 0 H VAL A 5 24.416 32.637 24.139 1.00 0.00 H new ATOM 0 HA VAL A 5 25.488 29.867 24.343 1.00 0.00 H new ATOM 0 HB VAL A 5 25.904 31.774 22.259 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.175 29.904 21.112 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.933 30.516 22.601 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.041 28.976 22.625 1.00 0.00 H new ATOM 0 HG21 VAL A 5 24.973 30.042 20.675 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.415 29.135 22.101 1.00 0.00 H new ATOM 0 HG23 VAL A 5 23.780 30.766 21.780 1.00 0.00 H new ATOM 92 N LYS A 6 26.578 30.940 26.245 1.00 0.00 N ATOM 93 CA LYS A 6 27.517 31.377 27.252 1.00 0.00 C ATOM 94 C LYS A 6 28.917 30.811 27.000 1.00 0.00 C ATOM 95 O LYS A 6 29.060 29.614 26.737 1.00 0.00 O ATOM 96 CB LYS A 6 26.900 30.950 28.584 1.00 0.00 C ATOM 97 CG LYS A 6 27.631 31.271 29.891 1.00 0.00 C ATOM 98 CD LYS A 6 28.889 30.490 30.253 1.00 0.00 C ATOM 99 CE LYS A 6 29.095 30.411 31.765 1.00 0.00 C ATOM 100 NZ LYS A 6 30.155 29.441 32.097 1.00 0.00 N ATOM 0 H LYS A 6 25.933 30.217 26.564 1.00 0.00 H new ATOM 0 HA LYS A 6 27.675 32.455 27.241 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.909 31.401 28.645 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.757 29.870 28.546 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.897 32.328 29.867 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.919 31.140 30.706 1.00 0.00 H new ATOM 0 HD2 LYS A 6 28.821 29.482 29.843 1.00 0.00 H new ATOM 0 HD3 LYS A 6 29.756 30.964 29.793 1.00 0.00 H new ATOM 0 HE2 LYS A 6 29.361 31.394 32.153 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.163 30.119 32.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 30.279 29.402 33.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 29.887 28.500 31.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 31.047 29.736 31.652 1.00 0.00 H new ATOM 114 N THR A 7 29.955 31.622 26.840 1.00 0.00 N ATOM 115 CA THR A 7 31.289 31.164 26.505 1.00 0.00 C ATOM 116 C THR A 7 32.095 30.878 27.766 1.00 0.00 C ATOM 117 O THR A 7 31.834 31.399 28.845 1.00 0.00 O ATOM 118 CB THR A 7 31.920 32.383 25.835 1.00 0.00 C ATOM 119 OG1 THR A 7 31.265 33.014 24.751 1.00 0.00 O ATOM 120 CG2 THR A 7 33.297 32.023 25.282 1.00 0.00 C ATOM 0 H THR A 7 29.888 32.635 26.942 1.00 0.00 H new ATOM 0 HA THR A 7 31.268 30.258 25.899 1.00 0.00 H new ATOM 0 HB THR A 7 31.889 33.090 26.664 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.542 33.581 25.091 1.00 0.00 H new ATOM 0 HG21 THR A 7 33.738 32.899 24.806 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.940 31.689 26.096 1.00 0.00 H new ATOM 0 HG23 THR A 7 33.197 31.223 24.548 1.00 0.00 H new ATOM 128 N LEU A 8 33.113 30.008 27.736 1.00 0.00 N ATOM 129 CA LEU A 8 34.101 29.794 28.766 1.00 0.00 C ATOM 130 C LEU A 8 34.551 30.984 29.618 1.00 0.00 C ATOM 131 O LEU A 8 34.659 30.853 30.835 1.00 0.00 O ATOM 132 CB LEU A 8 35.177 28.949 28.078 1.00 0.00 C ATOM 133 CG LEU A 8 36.283 28.267 28.873 1.00 0.00 C ATOM 134 CD1 LEU A 8 37.489 29.125 29.272 1.00 0.00 C ATOM 135 CD2 LEU A 8 35.775 27.452 30.070 1.00 0.00 C ATOM 0 H LEU A 8 33.266 29.401 26.931 1.00 0.00 H new ATOM 0 HA LEU A 8 33.664 29.270 29.616 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.659 28.168 27.522 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.664 29.592 27.345 1.00 0.00 H new ATOM 0 HG LEU A 8 36.674 27.578 28.124 1.00 0.00 H new ATOM 0 HD11 LEU A 8 38.199 28.517 29.832 1.00 0.00 H new ATOM 0 HD12 LEU A 8 37.972 29.513 28.375 1.00 0.00 H new ATOM 0 HD13 LEU A 8 37.155 29.956 29.893 1.00 0.00 H new ATOM 0 HD21 LEU A 8 36.621 26.997 30.586 1.00 0.00 H new ATOM 0 HD22 LEU A 8 35.242 28.109 30.757 1.00 0.00 H new ATOM 0 HD23 LEU A 8 35.101 26.670 29.718 1.00 0.00 H new ATOM 147 N THR A 9 34.693 32.143 28.984 1.00 0.00 N ATOM 148 CA THR A 9 35.089 33.442 29.484 1.00 0.00 C ATOM 149 C THR A 9 33.977 34.189 30.230 1.00 0.00 C ATOM 150 O THR A 9 34.301 35.100 30.976 1.00 0.00 O ATOM 151 CB THR A 9 35.583 34.224 28.276 1.00 0.00 C ATOM 152 OG1 THR A 9 34.696 34.507 27.221 1.00 0.00 O ATOM 153 CG2 THR A 9 36.687 33.465 27.539 1.00 0.00 C ATOM 0 H THR A 9 34.508 32.192 27.982 1.00 0.00 H new ATOM 0 HA THR A 9 35.867 33.322 30.238 1.00 0.00 H new ATOM 0 HB THR A 9 35.851 35.153 28.779 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.113 35.145 26.605 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.019 34.049 26.681 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.527 33.300 28.213 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.302 32.504 27.197 1.00 0.00 H new ATOM 161 N GLY A 10 32.691 33.858 30.097 1.00 0.00 N ATOM 162 CA GLY A 10 31.477 34.361 30.718 1.00 0.00 C ATOM 163 C GLY A 10 30.799 35.355 29.784 1.00 0.00 C ATOM 164 O GLY A 10 29.905 36.119 30.160 1.00 0.00 O ATOM 0 H GLY A 10 32.449 33.111 29.445 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.801 33.535 30.939 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.714 34.842 31.667 1.00 0.00 H new ATOM 168 N LYS A 11 31.214 35.370 28.522 1.00 0.00 N ATOM 169 CA LYS A 11 30.589 36.159 27.480 1.00 0.00 C ATOM 170 C LYS A 11 29.320 35.442 26.988 1.00 0.00 C ATOM 171 O LYS A 11 29.456 34.373 26.404 1.00 0.00 O ATOM 172 CB LYS A 11 31.569 36.391 26.327 1.00 0.00 C ATOM 173 CG LYS A 11 31.439 37.764 25.659 1.00 0.00 C ATOM 174 CD LYS A 11 32.223 37.836 24.346 1.00 0.00 C ATOM 175 CE LYS A 11 31.583 36.954 23.273 1.00 0.00 C ATOM 176 NZ LYS A 11 31.895 37.539 21.957 1.00 0.00 N ATOM 0 H LYS A 11 32.009 34.822 28.194 1.00 0.00 H new ATOM 0 HA LYS A 11 30.309 37.133 27.881 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.586 36.276 26.701 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.417 35.617 25.574 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.387 37.976 25.466 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.800 38.535 26.340 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.261 38.868 23.998 1.00 0.00 H new ATOM 0 HD3 LYS A 11 33.252 37.519 24.515 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.967 35.936 23.338 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.504 36.898 23.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.162 36.782 21.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.059 38.039 21.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 32.685 38.209 22.053 1.00 0.00 H new ATOM 190 N THR A 12 28.152 36.041 27.161 1.00 0.00 N ATOM 191 CA THR A 12 26.901 35.711 26.499 1.00 0.00 C ATOM 192 C THR A 12 26.986 36.232 25.071 1.00 0.00 C ATOM 193 O THR A 12 27.025 37.448 24.883 1.00 0.00 O ATOM 194 CB THR A 12 25.706 36.300 27.251 1.00 0.00 C ATOM 195 OG1 THR A 12 25.627 35.983 28.629 1.00 0.00 O ATOM 196 CG2 THR A 12 24.382 35.998 26.546 1.00 0.00 C ATOM 0 H THR A 12 28.047 36.821 27.810 1.00 0.00 H new ATOM 0 HA THR A 12 26.748 34.632 26.489 1.00 0.00 H new ATOM 0 HB THR A 12 25.892 37.374 27.223 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.833 36.406 29.017 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.560 36.434 27.113 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.398 36.425 25.543 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.244 34.919 26.478 1.00 0.00 H new ATOM 204 N ILE A 13 27.085 35.286 24.146 1.00 0.00 N ATOM 205 CA ILE A 13 26.894 35.379 22.704 1.00 0.00 C ATOM 206 C ILE A 13 25.397 35.051 22.691 1.00 0.00 C ATOM 207 O ILE A 13 24.914 34.216 23.459 1.00 0.00 O ATOM 208 CB ILE A 13 27.750 34.271 22.096 1.00 0.00 C ATOM 209 CG1 ILE A 13 29.275 34.371 22.191 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.494 34.127 20.592 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.863 32.992 21.859 1.00 0.00 C ATOM 0 H ILE A 13 27.327 34.333 24.417 1.00 0.00 H new ATOM 0 HA ILE A 13 27.154 36.295 22.173 1.00 0.00 H new ATOM 0 HB ILE A 13 27.429 33.437 22.720 1.00 0.00 H new ATOM 0 HG12 ILE A 13 29.651 35.123 21.497 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.575 34.682 23.192 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.120 33.330 20.191 1.00 0.00 H new ATOM 0 HG22 ILE A 13 26.445 33.885 20.423 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.735 35.064 20.090 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.950 33.036 21.920 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.489 32.256 22.571 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.567 32.704 20.850 1.00 0.00 H new ATOM 223 N THR A 14 24.591 35.574 21.781 1.00 0.00 N ATOM 224 CA THR A 14 23.256 35.120 21.445 1.00 0.00 C ATOM 225 C THR A 14 23.111 35.099 19.916 1.00 0.00 C ATOM 226 O THR A 14 23.546 36.048 19.277 1.00 0.00 O ATOM 227 CB THR A 14 22.161 35.971 22.082 1.00 0.00 C ATOM 228 OG1 THR A 14 20.878 35.526 21.689 1.00 0.00 O ATOM 229 CG2 THR A 14 22.344 37.489 21.950 1.00 0.00 C ATOM 0 H THR A 14 24.873 36.380 21.222 1.00 0.00 H new ATOM 0 HA THR A 14 23.128 34.116 21.850 1.00 0.00 H new ATOM 0 HB THR A 14 22.258 35.811 23.156 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.726 34.621 22.033 1.00 0.00 H new ATOM 0 HG21 THR A 14 21.512 37.999 22.436 1.00 0.00 H new ATOM 0 HG22 THR A 14 23.279 37.785 22.425 1.00 0.00 H new ATOM 0 HG23 THR A 14 22.371 37.762 20.895 1.00 0.00 H new ATOM 237 N LEU A 15 22.471 34.090 19.335 1.00 0.00 N ATOM 238 CA LEU A 15 22.326 33.989 17.896 1.00 0.00 C ATOM 239 C LEU A 15 20.908 33.469 17.627 1.00 0.00 C ATOM 240 O LEU A 15 20.427 32.584 18.325 1.00 0.00 O ATOM 241 CB LEU A 15 23.334 32.980 17.355 1.00 0.00 C ATOM 242 CG LEU A 15 24.340 33.626 16.393 1.00 0.00 C ATOM 243 CD1 LEU A 15 25.601 34.100 17.125 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.849 32.642 15.347 1.00 0.00 C ATOM 0 H LEU A 15 22.041 33.323 19.851 1.00 0.00 H new ATOM 0 HA LEU A 15 22.495 34.953 17.417 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.871 32.523 18.187 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.803 32.179 16.840 1.00 0.00 H new ATOM 0 HG LEU A 15 23.794 34.452 15.937 1.00 0.00 H new ATOM 0 HD11 LEU A 15 26.289 34.552 16.410 1.00 0.00 H new ATOM 0 HD12 LEU A 15 25.328 34.837 17.881 1.00 0.00 H new ATOM 0 HD13 LEU A 15 26.084 33.249 17.606 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.558 33.145 14.689 1.00 0.00 H new ATOM 0 HD22 LEU A 15 25.344 31.807 15.843 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.010 32.269 14.759 1.00 0.00 H new ATOM 256 N GLU A 16 20.339 33.872 16.488 1.00 0.00 N ATOM 257 CA GLU A 16 19.138 33.308 15.918 1.00 0.00 C ATOM 258 C GLU A 16 19.492 32.054 15.105 1.00 0.00 C ATOM 259 O GLU A 16 20.495 32.101 14.393 1.00 0.00 O ATOM 260 CB GLU A 16 18.435 34.278 14.953 1.00 0.00 C ATOM 261 CG GLU A 16 17.423 35.325 15.413 1.00 0.00 C ATOM 262 CD GLU A 16 17.998 36.696 15.741 1.00 0.00 C ATOM 263 OE1 GLU A 16 19.198 36.885 15.459 1.00 0.00 O ATOM 264 OE2 GLU A 16 17.233 37.576 16.184 1.00 0.00 O ATOM 0 H GLU A 16 20.726 34.630 15.925 1.00 0.00 H new ATOM 0 HA GLU A 16 18.475 33.084 16.753 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.224 34.819 14.430 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.926 33.662 14.212 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.670 35.444 14.634 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.910 34.945 16.297 1.00 0.00 H new ATOM 271 N VAL A 17 18.675 31.030 15.276 1.00 0.00 N ATOM 272 CA VAL A 17 18.610 29.750 14.603 1.00 0.00 C ATOM 273 C VAL A 17 17.145 29.446 14.281 1.00 0.00 C ATOM 274 O VAL A 17 16.224 30.113 14.756 1.00 0.00 O ATOM 275 CB VAL A 17 19.159 28.640 15.501 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.672 28.770 15.715 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.501 28.480 16.870 1.00 0.00 C ATOM 0 H VAL A 17 17.945 31.089 15.986 1.00 0.00 H new ATOM 0 HA VAL A 17 19.208 29.793 13.693 1.00 0.00 H new ATOM 0 HB VAL A 17 18.909 27.745 14.932 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.019 27.962 16.358 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.182 28.713 14.753 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.892 29.728 16.186 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.978 27.662 17.410 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.613 29.404 17.438 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.441 28.260 16.741 1.00 0.00 H new ATOM 287 N GLU A 18 16.899 28.476 13.408 1.00 0.00 N ATOM 288 CA GLU A 18 15.560 27.942 13.243 1.00 0.00 C ATOM 289 C GLU A 18 15.301 26.661 14.042 1.00 0.00 C ATOM 290 O GLU A 18 16.286 25.992 14.350 1.00 0.00 O ATOM 291 CB GLU A 18 15.208 27.589 11.794 1.00 0.00 C ATOM 292 CG GLU A 18 15.032 28.901 11.024 1.00 0.00 C ATOM 293 CD GLU A 18 13.811 29.756 11.314 1.00 0.00 C ATOM 294 OE1 GLU A 18 12.649 29.396 11.037 1.00 0.00 O ATOM 295 OE2 GLU A 18 13.995 30.873 11.833 1.00 0.00 O ATOM 0 H GLU A 18 17.606 28.048 12.810 1.00 0.00 H new ATOM 0 HA GLU A 18 14.944 28.764 13.608 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.997 26.985 11.345 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.293 26.998 11.756 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.915 29.513 11.206 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.024 28.662 9.961 1.00 0.00 H new ATOM 302 N PRO A 19 14.084 26.266 14.403 1.00 0.00 N ATOM 303 CA PRO A 19 13.953 24.987 15.068 1.00 0.00 C ATOM 304 C PRO A 19 14.487 23.697 14.444 1.00 0.00 C ATOM 305 O PRO A 19 15.110 22.945 15.195 1.00 0.00 O ATOM 306 CB PRO A 19 12.430 24.961 15.284 1.00 0.00 C ATOM 307 CG PRO A 19 11.995 26.426 15.282 1.00 0.00 C ATOM 308 CD PRO A 19 12.967 27.188 14.378 1.00 0.00 C ATOM 0 HA PRO A 19 14.611 24.959 15.937 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.930 24.402 14.493 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.175 24.477 16.227 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.973 26.523 14.916 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.011 26.833 16.293 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.573 27.342 13.374 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.225 28.170 14.773 1.00 0.00 H new ATOM 316 N SER A 20 14.319 23.409 13.154 1.00 0.00 N ATOM 317 CA SER A 20 14.759 22.203 12.475 1.00 0.00 C ATOM 318 C SER A 20 16.232 21.904 12.227 1.00 0.00 C ATOM 319 O SER A 20 16.638 20.816 11.807 1.00 0.00 O ATOM 320 CB SER A 20 13.961 22.236 11.175 1.00 0.00 C ATOM 321 OG SER A 20 13.621 20.978 10.628 1.00 0.00 O ATOM 0 H SER A 20 13.843 24.053 12.522 1.00 0.00 H new ATOM 0 HA SER A 20 14.582 21.377 13.164 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.042 22.795 11.350 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.535 22.790 10.433 1.00 0.00 H new ATOM 0 HG SER A 20 13.112 21.108 9.801 1.00 0.00 H new ATOM 327 N ASP A 21 17.037 22.930 12.486 1.00 0.00 N ATOM 328 CA ASP A 21 18.479 22.973 12.406 1.00 0.00 C ATOM 329 C ASP A 21 19.188 21.819 13.112 1.00 0.00 C ATOM 330 O ASP A 21 18.854 21.360 14.197 1.00 0.00 O ATOM 331 CB ASP A 21 19.108 24.313 12.777 1.00 0.00 C ATOM 332 CG ASP A 21 18.797 25.508 11.890 1.00 0.00 C ATOM 333 OD1 ASP A 21 18.335 25.280 10.756 1.00 0.00 O ATOM 334 OD2 ASP A 21 18.998 26.668 12.320 1.00 0.00 O ATOM 0 H ASP A 21 16.655 23.828 12.783 1.00 0.00 H new ATOM 0 HA ASP A 21 18.650 22.843 11.337 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.798 24.559 13.793 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.190 24.182 12.796 1.00 0.00 H new ATOM 339 N THR A 22 20.219 21.393 12.382 1.00 0.00 N ATOM 340 CA THR A 22 21.030 20.234 12.702 1.00 0.00 C ATOM 341 C THR A 22 22.255 20.793 13.423 1.00 0.00 C ATOM 342 O THR A 22 22.756 21.859 13.077 1.00 0.00 O ATOM 343 CB THR A 22 21.444 19.485 11.441 1.00 0.00 C ATOM 344 OG1 THR A 22 22.197 20.318 10.587 1.00 0.00 O ATOM 345 CG2 THR A 22 20.381 18.873 10.519 1.00 0.00 C ATOM 0 H THR A 22 20.516 21.864 11.527 1.00 0.00 H new ATOM 0 HA THR A 22 20.483 19.518 13.315 1.00 0.00 H new ATOM 0 HB THR A 22 21.970 18.650 11.904 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.454 19.817 9.785 1.00 0.00 H new ATOM 0 HG21 THR A 22 20.869 18.383 9.677 1.00 0.00 H new ATOM 0 HG22 THR A 22 19.795 18.141 11.075 1.00 0.00 H new ATOM 0 HG23 THR A 22 19.723 19.660 10.150 1.00 0.00 H new ATOM 353 N ILE A 23 22.793 20.150 14.451 1.00 0.00 N ATOM 354 CA ILE A 23 23.760 20.734 15.359 1.00 0.00 C ATOM 355 C ILE A 23 25.053 21.140 14.651 1.00 0.00 C ATOM 356 O ILE A 23 25.690 22.086 15.102 1.00 0.00 O ATOM 357 CB ILE A 23 23.978 19.707 16.461 1.00 0.00 C ATOM 358 CG1 ILE A 23 22.747 19.375 17.302 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.214 19.721 17.373 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.079 20.639 17.830 1.00 0.00 C ATOM 0 H ILE A 23 22.560 19.183 14.679 1.00 0.00 H new ATOM 0 HA ILE A 23 23.390 21.669 15.780 1.00 0.00 H new ATOM 0 HB ILE A 23 24.223 18.918 15.750 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.035 18.809 16.701 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.036 18.738 18.138 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.152 18.895 18.082 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.114 19.613 16.768 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.254 20.664 17.918 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.206 20.368 18.424 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.784 21.191 18.451 1.00 0.00 H new ATOM 0 HD13 ILE A 23 21.768 21.263 16.992 1.00 0.00 H new ATOM 372 N GLU A 24 25.415 20.464 13.568 1.00 0.00 N ATOM 373 CA GLU A 24 26.562 20.903 12.792 1.00 0.00 C ATOM 374 C GLU A 24 26.406 22.220 12.043 1.00 0.00 C ATOM 375 O GLU A 24 27.325 23.019 11.868 1.00 0.00 O ATOM 376 CB GLU A 24 26.836 19.735 11.845 1.00 0.00 C ATOM 377 CG GLU A 24 28.332 19.653 11.538 1.00 0.00 C ATOM 378 CD GLU A 24 28.721 19.915 10.085 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.962 19.400 9.237 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.701 20.664 9.892 1.00 0.00 O ATOM 0 H GLU A 24 24.944 19.631 13.215 1.00 0.00 H new ATOM 0 HA GLU A 24 27.389 21.137 13.462 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.497 18.803 12.296 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.273 19.865 10.921 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.855 20.370 12.171 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.689 18.662 11.818 1.00 0.00 H new ATOM 387 N ASN A 25 25.174 22.579 11.703 1.00 0.00 N ATOM 388 CA ASN A 25 24.906 23.783 10.948 1.00 0.00 C ATOM 389 C ASN A 25 24.977 24.955 11.932 1.00 0.00 C ATOM 390 O ASN A 25 25.272 26.063 11.476 1.00 0.00 O ATOM 391 CB ASN A 25 23.489 23.607 10.398 1.00 0.00 C ATOM 392 CG ASN A 25 22.974 24.621 9.382 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.139 25.466 9.711 1.00 0.00 O ATOM 394 ND2 ASN A 25 23.548 24.695 8.188 1.00 0.00 N ATOM 0 H ASN A 25 24.341 22.043 11.944 1.00 0.00 H new ATOM 0 HA ASN A 25 25.608 23.967 10.135 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.431 22.620 9.940 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.802 23.607 11.244 1.00 0.00 H new ATOM 0 HD21 ASN A 25 23.298 25.448 7.548 1.00 0.00 H new ATOM 0 HD22 ASN A 25 24.240 23.998 7.911 1.00 0.00 H new ATOM 401 N VAL A 26 24.766 24.816 13.234 1.00 0.00 N ATOM 402 CA VAL A 26 24.757 25.861 14.234 1.00 0.00 C ATOM 403 C VAL A 26 26.138 26.475 14.471 1.00 0.00 C ATOM 404 O VAL A 26 26.241 27.686 14.656 1.00 0.00 O ATOM 405 CB VAL A 26 24.145 25.261 15.496 1.00 0.00 C ATOM 406 CG1 VAL A 26 23.996 26.252 16.650 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.720 24.772 15.256 1.00 0.00 C ATOM 0 H VAL A 26 24.584 23.900 13.643 1.00 0.00 H new ATOM 0 HA VAL A 26 24.158 26.704 13.891 1.00 0.00 H new ATOM 0 HB VAL A 26 24.843 24.463 15.750 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.554 25.747 17.509 1.00 0.00 H new ATOM 0 HG12 VAL A 26 24.976 26.642 16.924 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.351 27.075 16.342 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.319 24.352 16.178 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.097 25.608 14.938 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.724 24.006 14.480 1.00 0.00 H new ATOM 417 N LYS A 27 27.165 25.637 14.352 1.00 0.00 N ATOM 418 CA LYS A 27 28.569 25.919 14.560 1.00 0.00 C ATOM 419 C LYS A 27 29.070 26.856 13.463 1.00 0.00 C ATOM 420 O LYS A 27 29.714 27.873 13.715 1.00 0.00 O ATOM 421 CB LYS A 27 29.292 24.578 14.446 1.00 0.00 C ATOM 422 CG LYS A 27 29.076 23.623 15.617 1.00 0.00 C ATOM 423 CD LYS A 27 30.268 22.686 15.836 1.00 0.00 C ATOM 424 CE LYS A 27 30.499 21.611 14.777 1.00 0.00 C ATOM 425 NZ LYS A 27 31.523 20.645 15.208 1.00 0.00 N ATOM 0 H LYS A 27 27.016 24.664 14.085 1.00 0.00 H new ATOM 0 HA LYS A 27 28.743 26.393 15.526 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.967 24.084 13.530 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.361 24.767 14.344 1.00 0.00 H new ATOM 0 HG2 LYS A 27 28.900 24.200 16.525 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.179 23.030 15.437 1.00 0.00 H new ATOM 0 HD2 LYS A 27 31.170 23.294 15.906 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.140 22.193 16.799 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.564 21.088 14.577 1.00 0.00 H new ATOM 0 HE3 LYS A 27 30.808 22.079 13.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.621 19.899 14.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 32.433 21.134 15.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.239 20.219 16.113 1.00 0.00 H new ATOM 439 N ALA A 28 28.625 26.670 12.220 1.00 0.00 N ATOM 440 CA ALA A 28 28.917 27.487 11.063 1.00 0.00 C ATOM 441 C ALA A 28 28.456 28.939 11.230 1.00 0.00 C ATOM 442 O ALA A 28 29.040 29.844 10.637 1.00 0.00 O ATOM 443 CB ALA A 28 28.312 26.854 9.802 1.00 0.00 C ATOM 0 H ALA A 28 28.010 25.889 11.989 1.00 0.00 H new ATOM 0 HA ALA A 28 30.001 27.523 10.957 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.538 27.478 8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.736 25.861 9.654 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.231 26.773 9.918 1.00 0.00 H new ATOM 449 N LYS A 29 27.408 29.108 12.029 1.00 0.00 N ATOM 450 CA LYS A 29 26.803 30.411 12.169 1.00 0.00 C ATOM 451 C LYS A 29 27.543 31.249 13.227 1.00 0.00 C ATOM 452 O LYS A 29 27.842 32.401 12.940 1.00 0.00 O ATOM 453 CB LYS A 29 25.326 30.365 12.568 1.00 0.00 C ATOM 454 CG LYS A 29 24.345 29.565 11.719 1.00 0.00 C ATOM 455 CD LYS A 29 24.268 29.933 10.234 1.00 0.00 C ATOM 456 CE LYS A 29 23.503 28.808 9.526 1.00 0.00 C ATOM 457 NZ LYS A 29 23.710 28.731 8.074 1.00 0.00 N ATOM 0 H LYS A 29 26.971 28.367 12.578 1.00 0.00 H new ATOM 0 HA LYS A 29 26.879 30.862 11.180 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.274 29.973 13.584 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.965 31.393 12.604 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.609 28.510 11.796 1.00 0.00 H new ATOM 0 HG3 LYS A 29 23.350 29.677 12.150 1.00 0.00 H new ATOM 0 HD2 LYS A 29 23.759 30.888 10.100 1.00 0.00 H new ATOM 0 HD3 LYS A 29 25.267 30.043 9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.795 27.856 9.970 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.438 28.937 9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.154 27.943 7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 23.404 29.621 7.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.719 28.574 7.875 1.00 0.00 H new ATOM 471 N ILE A 30 28.073 30.502 14.184 1.00 0.00 N ATOM 472 CA ILE A 30 28.978 30.944 15.229 1.00 0.00 C ATOM 473 C ILE A 30 30.299 31.203 14.513 1.00 0.00 C ATOM 474 O ILE A 30 30.908 32.263 14.692 1.00 0.00 O ATOM 475 CB ILE A 30 29.022 29.916 16.363 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.721 29.753 17.151 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.202 30.174 17.292 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.571 28.369 17.775 1.00 0.00 C ATOM 0 H ILE A 30 27.867 29.505 14.254 1.00 0.00 H new ATOM 0 HA ILE A 30 28.670 31.857 15.738 1.00 0.00 H new ATOM 0 HB ILE A 30 29.159 28.958 15.862 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.683 30.506 17.938 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.876 29.940 16.489 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.208 29.429 18.088 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.131 30.109 16.726 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.111 31.169 17.727 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.629 28.316 18.320 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.579 27.613 16.990 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.398 28.188 18.461 1.00 0.00 H new ATOM 490 N GLN A 31 30.724 30.367 13.573 1.00 0.00 N ATOM 491 CA GLN A 31 31.935 30.574 12.801 1.00 0.00 C ATOM 492 C GLN A 31 31.799 31.894 12.033 1.00 0.00 C ATOM 493 O GLN A 31 32.724 32.687 12.178 1.00 0.00 O ATOM 494 CB GLN A 31 32.069 29.309 11.957 1.00 0.00 C ATOM 495 CG GLN A 31 33.471 29.207 11.355 1.00 0.00 C ATOM 496 CD GLN A 31 33.542 28.042 10.367 1.00 0.00 C ATOM 497 OE1 GLN A 31 32.687 27.161 10.376 1.00 0.00 O ATOM 498 NE2 GLN A 31 34.673 27.889 9.682 1.00 0.00 N ATOM 0 H GLN A 31 30.225 29.513 13.325 1.00 0.00 H new ATOM 0 HA GLN A 31 32.854 30.695 13.375 1.00 0.00 H new ATOM 0 HB2 GLN A 31 31.867 28.432 12.572 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.325 29.317 11.160 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.725 30.138 10.848 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.205 29.065 12.148 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.374 28.630 9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 31 34.838 27.031 9.155 1.00 0.00 H new ATOM 507 N ASP A 32 30.669 32.218 11.417 1.00 0.00 N ATOM 508 CA ASP A 32 30.453 33.422 10.645 1.00 0.00 C ATOM 509 C ASP A 32 30.518 34.713 11.478 1.00 0.00 C ATOM 510 O ASP A 32 31.139 35.699 11.078 1.00 0.00 O ATOM 511 CB ASP A 32 29.170 33.309 9.821 1.00 0.00 C ATOM 512 CG ASP A 32 28.782 34.438 8.881 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.697 35.090 8.314 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.560 34.648 8.711 1.00 0.00 O ATOM 0 H ASP A 32 29.845 31.618 11.447 1.00 0.00 H new ATOM 0 HA ASP A 32 31.290 33.508 9.952 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.244 32.399 9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.345 33.167 10.519 1.00 0.00 H new ATOM 519 N LYS A 33 29.885 34.749 12.639 1.00 0.00 N ATOM 520 CA LYS A 33 29.581 35.881 13.505 1.00 0.00 C ATOM 521 C LYS A 33 30.583 35.996 14.655 1.00 0.00 C ATOM 522 O LYS A 33 30.737 37.157 15.012 1.00 0.00 O ATOM 523 CB LYS A 33 28.169 35.818 14.096 1.00 0.00 C ATOM 524 CG LYS A 33 27.109 36.539 13.263 1.00 0.00 C ATOM 525 CD LYS A 33 25.729 36.676 13.896 1.00 0.00 C ATOM 526 CE LYS A 33 24.731 37.408 12.986 1.00 0.00 C ATOM 527 NZ LYS A 33 24.500 36.743 11.694 1.00 0.00 N ATOM 0 H LYS A 33 29.529 33.884 13.046 1.00 0.00 H new ATOM 0 HA LYS A 33 29.650 36.759 12.863 1.00 0.00 H new ATOM 0 HB2 LYS A 33 27.880 34.773 14.206 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.186 36.251 15.096 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.479 37.537 13.029 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.000 36.010 12.316 1.00 0.00 H new ATOM 0 HD2 LYS A 33 25.341 35.685 14.131 1.00 0.00 H new ATOM 0 HD3 LYS A 33 25.818 37.215 14.839 1.00 0.00 H new ATOM 0 HE2 LYS A 33 23.780 37.503 13.509 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.096 38.419 12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.732 37.227 11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.369 36.781 11.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.236 35.750 11.857 1.00 0.00 H new ATOM 541 N GLU A 34 31.272 34.959 15.129 1.00 0.00 N ATOM 542 CA GLU A 34 32.262 35.111 16.179 1.00 0.00 C ATOM 543 C GLU A 34 33.660 34.725 15.697 1.00 0.00 C ATOM 544 O GLU A 34 34.583 35.237 16.322 1.00 0.00 O ATOM 545 CB GLU A 34 31.764 34.206 17.306 1.00 0.00 C ATOM 546 CG GLU A 34 30.660 34.894 18.103 1.00 0.00 C ATOM 547 CD GLU A 34 31.183 35.935 19.079 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.193 35.590 19.740 1.00 0.00 O ATOM 549 OE2 GLU A 34 30.808 37.116 18.940 1.00 0.00 O ATOM 0 H GLU A 34 31.157 34.002 14.796 1.00 0.00 H new ATOM 0 HA GLU A 34 32.364 36.145 16.508 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.390 33.271 16.889 1.00 0.00 H new ATOM 0 HB3 GLU A 34 32.592 33.952 17.967 1.00 0.00 H new ATOM 0 HG2 GLU A 34 29.965 35.371 17.411 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.096 34.141 18.653 1.00 0.00 H new ATOM 556 N GLY A 35 33.833 33.903 14.654 1.00 0.00 N ATOM 557 CA GLY A 35 35.037 33.651 13.902 1.00 0.00 C ATOM 558 C GLY A 35 35.910 32.526 14.486 1.00 0.00 C ATOM 559 O GLY A 35 37.114 32.513 14.265 1.00 0.00 O ATOM 0 H GLY A 35 33.052 33.354 14.294 1.00 0.00 H new ATOM 0 HA2 GLY A 35 34.767 33.394 12.878 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.625 34.568 13.857 1.00 0.00 H new ATOM 563 N ILE A 36 35.268 31.662 15.266 1.00 0.00 N ATOM 564 CA ILE A 36 35.823 30.521 15.964 1.00 0.00 C ATOM 565 C ILE A 36 35.705 29.320 15.028 1.00 0.00 C ATOM 566 O ILE A 36 34.579 29.077 14.603 1.00 0.00 O ATOM 567 CB ILE A 36 35.038 30.398 17.278 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.120 31.642 18.162 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.385 29.106 18.016 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.170 31.569 19.347 1.00 0.00 C ATOM 0 H ILE A 36 34.267 31.754 15.436 1.00 0.00 H new ATOM 0 HA ILE A 36 36.878 30.606 16.224 1.00 0.00 H new ATOM 0 HB ILE A 36 33.985 30.334 17.004 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.141 31.761 18.524 1.00 0.00 H new ATOM 0 HG13 ILE A 36 34.888 32.525 17.566 1.00 0.00 H new ATOM 0 HG21 ILE A 36 34.812 29.051 18.942 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.141 28.250 17.386 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.450 29.094 18.247 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.264 32.475 19.945 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.145 31.477 18.987 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.418 30.702 19.959 1.00 0.00 H new ATOM 582 N PRO A 37 36.737 28.592 14.588 1.00 0.00 N ATOM 583 CA PRO A 37 36.707 27.449 13.706 1.00 0.00 C ATOM 584 C PRO A 37 35.842 26.318 14.255 1.00 0.00 C ATOM 585 O PRO A 37 35.698 26.221 15.470 1.00 0.00 O ATOM 586 CB PRO A 37 38.158 27.054 13.447 1.00 0.00 C ATOM 587 CG PRO A 37 39.076 28.185 13.902 1.00 0.00 C ATOM 588 CD PRO A 37 38.114 29.031 14.746 1.00 0.00 C ATOM 0 HA PRO A 37 36.228 27.696 12.758 1.00 0.00 H new ATOM 0 HB2 PRO A 37 38.399 26.136 13.984 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.308 26.852 12.387 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.921 27.819 14.485 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.487 28.745 13.062 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.399 28.968 15.796 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.198 30.078 14.455 1.00 0.00 H new ATOM 596 N PRO A 38 35.311 25.458 13.378 1.00 0.00 N ATOM 597 CA PRO A 38 34.214 24.587 13.716 1.00 0.00 C ATOM 598 C PRO A 38 34.559 23.337 14.524 1.00 0.00 C ATOM 599 O PRO A 38 33.718 22.893 15.304 1.00 0.00 O ATOM 600 CB PRO A 38 33.622 24.180 12.365 1.00 0.00 C ATOM 601 CG PRO A 38 34.812 24.218 11.412 1.00 0.00 C ATOM 602 CD PRO A 38 35.725 25.288 11.997 1.00 0.00 C ATOM 0 HA PRO A 38 33.538 25.127 14.379 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.177 23.186 12.408 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.837 24.867 12.050 1.00 0.00 H new ATOM 0 HG2 PRO A 38 35.313 23.251 11.362 1.00 0.00 H new ATOM 0 HG3 PRO A 38 34.502 24.470 10.398 1.00 0.00 H new ATOM 0 HD2 PRO A 38 36.770 24.984 11.938 1.00 0.00 H new ATOM 0 HD3 PRO A 38 35.634 26.223 11.445 1.00 0.00 H new ATOM 610 N ASP A 39 35.840 22.964 14.527 1.00 0.00 N ATOM 611 CA ASP A 39 36.377 21.973 15.434 1.00 0.00 C ATOM 612 C ASP A 39 36.862 22.452 16.810 1.00 0.00 C ATOM 613 O ASP A 39 37.341 21.643 17.594 1.00 0.00 O ATOM 614 CB ASP A 39 37.411 21.231 14.594 1.00 0.00 C ATOM 615 CG ASP A 39 38.231 20.108 15.215 1.00 0.00 C ATOM 616 OD1 ASP A 39 37.645 19.057 15.558 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.475 20.186 15.286 1.00 0.00 O ATOM 0 H ASP A 39 36.534 23.352 13.888 1.00 0.00 H new ATOM 0 HA ASP A 39 35.581 21.321 15.794 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.890 20.814 13.732 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.113 21.973 14.214 1.00 0.00 H new ATOM 622 N GLN A 40 36.974 23.767 17.025 1.00 0.00 N ATOM 623 CA GLN A 40 37.566 24.386 18.195 1.00 0.00 C ATOM 624 C GLN A 40 36.508 24.708 19.244 1.00 0.00 C ATOM 625 O GLN A 40 36.844 24.954 20.392 1.00 0.00 O ATOM 626 CB GLN A 40 38.185 25.748 17.844 1.00 0.00 C ATOM 627 CG GLN A 40 39.354 25.691 16.860 1.00 0.00 C ATOM 628 CD GLN A 40 40.587 25.030 17.471 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.742 24.918 18.690 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.480 24.496 16.644 1.00 0.00 N ATOM 0 H GLN A 40 36.635 24.453 16.350 1.00 0.00 H new ATOM 0 HA GLN A 40 38.307 23.676 18.563 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.407 26.387 17.425 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.526 26.223 18.764 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.051 25.140 15.970 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.607 26.702 16.539 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.358 24.585 15.635 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.287 23.997 17.018 1.00 0.00 H new ATOM 639 N GLN A 41 35.238 24.693 18.822 1.00 0.00 N ATOM 640 CA GLN A 41 34.063 24.768 19.655 1.00 0.00 C ATOM 641 C GLN A 41 33.473 23.380 19.917 1.00 0.00 C ATOM 642 O GLN A 41 33.612 22.462 19.114 1.00 0.00 O ATOM 643 CB GLN A 41 33.122 25.705 18.898 1.00 0.00 C ATOM 644 CG GLN A 41 32.899 25.375 17.416 1.00 0.00 C ATOM 645 CD GLN A 41 31.920 26.327 16.747 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.763 26.421 17.150 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.311 26.979 15.654 1.00 0.00 N ATOM 0 H GLN A 41 35.005 24.624 17.831 1.00 0.00 H new ATOM 0 HA GLN A 41 34.270 25.151 20.654 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.155 25.702 19.401 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.515 26.719 18.970 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.854 25.413 16.891 1.00 0.00 H new ATOM 0 HG3 GLN A 41 32.527 24.354 17.327 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.273 26.895 15.327 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.648 27.563 15.144 1.00 0.00 H new ATOM 656 N ARG A 42 32.946 23.161 21.123 1.00 0.00 N ATOM 657 CA ARG A 42 32.098 22.073 21.563 1.00 0.00 C ATOM 658 C ARG A 42 30.904 22.723 22.265 1.00 0.00 C ATOM 659 O ARG A 42 31.098 23.459 23.225 1.00 0.00 O ATOM 660 CB ARG A 42 32.905 21.071 22.404 1.00 0.00 C ATOM 661 CG ARG A 42 32.102 19.952 23.076 1.00 0.00 C ATOM 662 CD ARG A 42 33.048 19.262 24.063 1.00 0.00 C ATOM 663 NE ARG A 42 33.133 17.821 23.828 1.00 0.00 N ATOM 664 CZ ARG A 42 34.243 17.080 23.732 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.475 17.594 23.872 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.194 15.757 23.510 1.00 0.00 N ATOM 0 H ARG A 42 33.127 23.813 21.887 1.00 0.00 H new ATOM 0 HA ARG A 42 31.714 21.463 20.746 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.659 20.614 21.763 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.437 21.624 23.178 1.00 0.00 H new ATOM 0 HG2 ARG A 42 31.232 20.357 23.593 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.732 19.243 22.335 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.042 19.702 23.980 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.704 19.443 25.081 1.00 0.00 H new ATOM 0 HE ARG A 42 32.247 17.326 23.726 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.594 18.589 24.060 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.292 16.989 23.790 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.293 15.290 23.410 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.058 15.219 23.442 1.00 0.00 H new ATOM 680 N LEU A 43 29.691 22.342 21.875 1.00 0.00 N ATOM 681 CA LEU A 43 28.459 22.851 22.446 1.00 0.00 C ATOM 682 C LEU A 43 27.960 21.905 23.543 1.00 0.00 C ATOM 683 O LEU A 43 27.743 20.713 23.343 1.00 0.00 O ATOM 684 CB LEU A 43 27.351 23.002 21.400 1.00 0.00 C ATOM 685 CG LEU A 43 27.420 24.114 20.352 1.00 0.00 C ATOM 686 CD1 LEU A 43 26.263 23.972 19.354 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.524 25.442 21.097 1.00 0.00 C ATOM 0 H LEU A 43 29.540 21.655 21.136 1.00 0.00 H new ATOM 0 HA LEU A 43 28.685 23.836 22.855 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.285 22.056 20.862 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.413 23.127 21.941 1.00 0.00 H new ATOM 0 HG LEU A 43 28.305 24.053 19.719 1.00 0.00 H new ATOM 0 HD11 LEU A 43 26.322 24.769 18.613 1.00 0.00 H new ATOM 0 HD12 LEU A 43 26.330 23.006 18.854 1.00 0.00 H new ATOM 0 HD13 LEU A 43 25.314 24.041 19.885 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.575 26.260 20.378 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.648 25.572 21.733 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.423 25.444 21.713 1.00 0.00 H new ATOM 699 N ILE A 44 27.807 22.528 24.717 1.00 0.00 N ATOM 700 CA ILE A 44 27.329 22.025 25.985 1.00 0.00 C ATOM 701 C ILE A 44 25.952 22.536 26.378 1.00 0.00 C ATOM 702 O ILE A 44 25.658 23.733 26.403 1.00 0.00 O ATOM 703 CB ILE A 44 28.445 21.936 27.041 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.755 21.390 26.484 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.006 21.226 28.311 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.903 21.409 27.492 1.00 0.00 C ATOM 0 H ILE A 44 28.048 23.516 24.796 1.00 0.00 H new ATOM 0 HA ILE A 44 27.076 20.971 25.872 1.00 0.00 H new ATOM 0 HB ILE A 44 28.653 22.966 27.331 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.597 20.366 26.145 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.040 21.975 25.610 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.836 21.195 29.016 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.170 21.764 28.758 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.696 20.209 28.071 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.803 21.006 27.026 1.00 0.00 H new ATOM 0 HD12 ILE A 44 31.088 22.434 27.813 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.638 20.800 28.356 1.00 0.00 H new ATOM 718 N PHE A 45 25.057 21.590 26.635 1.00 0.00 N ATOM 719 CA PHE A 45 23.761 21.894 27.202 1.00 0.00 C ATOM 720 C PHE A 45 23.328 20.878 28.253 1.00 0.00 C ATOM 721 O PHE A 45 23.579 19.702 27.995 1.00 0.00 O ATOM 722 CB PHE A 45 22.813 21.992 26.005 1.00 0.00 C ATOM 723 CG PHE A 45 21.376 22.359 26.305 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.080 23.562 26.961 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.372 21.418 26.056 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.751 23.918 27.186 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.046 21.735 26.361 1.00 0.00 C ATOM 728 CZ PHE A 45 18.744 23.006 26.877 1.00 0.00 C ATOM 0 H PHE A 45 25.213 20.598 26.455 1.00 0.00 H new ATOM 0 HA PHE A 45 23.770 22.830 27.761 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.215 22.731 25.312 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.818 21.033 25.487 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.878 24.210 27.291 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.619 20.456 25.632 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.505 24.887 27.594 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.261 21.010 26.202 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.712 23.281 27.037 1.00 0.00 H new ATOM 738 N ALA A 46 22.819 21.283 29.419 1.00 0.00 N ATOM 739 CA ALA A 46 22.252 20.445 30.463 1.00 0.00 C ATOM 740 C ALA A 46 23.151 19.315 30.948 1.00 0.00 C ATOM 741 O ALA A 46 22.696 18.174 31.037 1.00 0.00 O ATOM 742 CB ALA A 46 20.900 19.966 29.927 1.00 0.00 C ATOM 0 H ALA A 46 22.793 22.271 29.669 1.00 0.00 H new ATOM 0 HA ALA A 46 22.134 21.028 31.377 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.420 19.328 30.669 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.264 20.827 29.723 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.053 19.402 29.007 1.00 0.00 H new ATOM 748 N GLY A 47 24.458 19.547 31.022 1.00 0.00 N ATOM 749 CA GLY A 47 25.550 18.643 31.286 1.00 0.00 C ATOM 750 C GLY A 47 26.026 17.886 30.048 1.00 0.00 C ATOM 751 O GLY A 47 27.132 17.370 30.213 1.00 0.00 O ATOM 0 H GLY A 47 24.809 20.494 30.879 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.386 19.206 31.701 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.241 17.924 32.045 1.00 0.00 H new ATOM 755 N LYS A 48 25.290 17.810 28.931 1.00 0.00 N ATOM 756 CA LYS A 48 25.560 16.985 27.783 1.00 0.00 C ATOM 757 C LYS A 48 26.444 17.842 26.865 1.00 0.00 C ATOM 758 O LYS A 48 26.134 18.960 26.459 1.00 0.00 O ATOM 759 CB LYS A 48 24.275 16.648 27.029 1.00 0.00 C ATOM 760 CG LYS A 48 23.281 15.687 27.682 1.00 0.00 C ATOM 761 CD LYS A 48 21.868 15.766 27.122 1.00 0.00 C ATOM 762 CE LYS A 48 20.917 14.824 27.867 1.00 0.00 C ATOM 763 NZ LYS A 48 19.587 14.754 27.222 1.00 0.00 N ATOM 0 H LYS A 48 24.441 18.364 28.814 1.00 0.00 H new ATOM 0 HA LYS A 48 26.027 16.047 28.085 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.751 17.583 26.830 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.557 16.229 26.063 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.649 14.668 27.564 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.246 15.891 28.752 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.502 16.790 27.198 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.880 15.510 26.063 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.353 13.826 27.907 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.803 15.164 28.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.975 14.106 27.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.158 15.701 27.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.692 14.405 26.248 1.00 0.00 H new ATOM 777 N GLN A 49 27.433 17.155 26.313 1.00 0.00 N ATOM 778 CA GLN A 49 28.035 17.641 25.080 1.00 0.00 C ATOM 779 C GLN A 49 27.261 17.080 23.881 1.00 0.00 C ATOM 780 O GLN A 49 26.968 15.897 23.938 1.00 0.00 O ATOM 781 CB GLN A 49 29.503 17.191 25.082 1.00 0.00 C ATOM 782 CG GLN A 49 29.963 15.847 24.515 1.00 0.00 C ATOM 783 CD GLN A 49 30.072 15.883 22.998 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.018 16.419 22.433 1.00 0.00 O ATOM 785 NE2 GLN A 49 29.175 15.263 22.234 1.00 0.00 N ATOM 0 H GLN A 49 27.825 16.289 26.683 1.00 0.00 H new ATOM 0 HA GLN A 49 27.994 18.728 25.007 1.00 0.00 H new ATOM 0 HB2 GLN A 49 30.063 17.960 24.549 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.834 17.218 26.120 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.930 15.584 24.943 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.261 15.068 24.811 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.371 14.803 22.662 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.291 15.248 21.221 1.00 0.00 H new ATOM 794 N LEU A 50 26.974 17.902 22.876 1.00 0.00 N ATOM 795 CA LEU A 50 26.013 17.653 21.818 1.00 0.00 C ATOM 796 C LEU A 50 26.728 16.961 20.652 1.00 0.00 C ATOM 797 O LEU A 50 27.696 17.604 20.278 1.00 0.00 O ATOM 798 CB LEU A 50 25.156 18.791 21.275 1.00 0.00 C ATOM 799 CG LEU A 50 24.502 19.818 22.204 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.791 20.858 21.337 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.582 19.179 23.250 1.00 0.00 C ATOM 0 H LEU A 50 27.433 18.807 22.777 1.00 0.00 H new ATOM 0 HA LEU A 50 25.269 17.040 22.327 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.778 19.349 20.575 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.354 18.334 20.695 1.00 0.00 H new ATOM 0 HG LEU A 50 25.273 20.310 22.797 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.316 21.602 21.977 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.517 21.348 20.688 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.033 20.367 20.728 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.149 19.958 23.878 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.784 18.632 22.747 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.158 18.492 23.870 1.00 0.00 H new ATOM 813 N GLU A 51 26.205 15.962 19.936 1.00 0.00 N ATOM 814 CA GLU A 51 26.790 15.368 18.753 1.00 0.00 C ATOM 815 C GLU A 51 26.178 15.883 17.451 1.00 0.00 C ATOM 816 O GLU A 51 25.024 16.289 17.425 1.00 0.00 O ATOM 817 CB GLU A 51 26.560 13.851 18.802 1.00 0.00 C ATOM 818 CG GLU A 51 27.287 13.009 19.850 1.00 0.00 C ATOM 819 CD GLU A 51 26.664 12.978 21.241 1.00 0.00 C ATOM 820 OE1 GLU A 51 25.417 13.042 21.320 1.00 0.00 O ATOM 821 OE2 GLU A 51 27.370 12.650 22.227 1.00 0.00 O ATOM 0 H GLU A 51 25.316 15.530 20.187 1.00 0.00 H new ATOM 0 HA GLU A 51 27.847 15.635 18.756 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.491 13.688 18.938 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.822 13.450 17.823 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.352 11.985 19.481 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.308 13.381 19.940 1.00 0.00 H new ATOM 828 N ASP A 52 27.045 15.973 16.442 1.00 0.00 N ATOM 829 CA ASP A 52 26.645 16.079 15.051 1.00 0.00 C ATOM 830 C ASP A 52 26.049 14.744 14.612 1.00 0.00 C ATOM 831 O ASP A 52 26.626 13.672 14.791 1.00 0.00 O ATOM 832 CB ASP A 52 27.829 16.606 14.248 1.00 0.00 C ATOM 833 CG ASP A 52 28.971 15.615 14.014 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.714 15.263 14.951 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.153 15.220 12.841 1.00 0.00 O ATOM 0 H ASP A 52 28.056 15.974 16.576 1.00 0.00 H new ATOM 0 HA ASP A 52 25.849 16.803 14.878 1.00 0.00 H new ATOM 0 HB2 ASP A 52 27.464 16.945 13.279 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.231 17.480 14.761 1.00 0.00 H new ATOM 840 N GLY A 53 24.967 14.800 13.838 1.00 0.00 N ATOM 841 CA GLY A 53 24.190 13.695 13.290 1.00 0.00 C ATOM 842 C GLY A 53 22.841 13.808 14.005 1.00 0.00 C ATOM 843 O GLY A 53 22.054 12.888 13.827 1.00 0.00 O ATOM 0 H GLY A 53 24.579 15.700 13.555 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.078 13.782 12.209 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.667 12.735 13.485 1.00 0.00 H new ATOM 847 N ARG A 54 22.573 14.904 14.712 1.00 0.00 N ATOM 848 CA ARG A 54 21.299 15.122 15.361 1.00 0.00 C ATOM 849 C ARG A 54 20.903 16.593 15.181 1.00 0.00 C ATOM 850 O ARG A 54 21.594 17.417 14.573 1.00 0.00 O ATOM 851 CB ARG A 54 21.306 14.700 16.833 1.00 0.00 C ATOM 852 CG ARG A 54 21.011 13.202 16.879 1.00 0.00 C ATOM 853 CD ARG A 54 20.872 12.650 18.295 1.00 0.00 C ATOM 854 NE ARG A 54 22.156 12.416 18.948 1.00 0.00 N ATOM 855 CZ ARG A 54 22.898 11.325 19.155 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.582 10.172 18.549 1.00 0.00 N ATOM 857 NH2 ARG A 54 24.035 11.268 19.861 1.00 0.00 N ATOM 0 H ARG A 54 23.241 15.663 14.846 1.00 0.00 H new ATOM 0 HA ARG A 54 20.550 14.486 14.889 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.272 14.915 17.290 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.556 15.256 17.396 1.00 0.00 H new ATOM 0 HG2 ARG A 54 20.091 13.004 16.329 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.810 12.667 16.366 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.288 13.348 18.895 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.313 11.715 18.261 1.00 0.00 H new ATOM 0 HE ARG A 54 22.575 13.265 19.326 1.00 0.00 H new ATOM 0 HH11 ARG A 54 21.774 10.127 17.929 1.00 0.00 H new ATOM 0 HH12 ARG A 54 23.150 9.340 18.708 1.00 0.00 H new ATOM 0 HH21 ARG A 54 24.406 12.111 20.299 1.00 0.00 H new ATOM 0 HH22 ARG A 54 24.530 10.381 19.961 1.00 0.00 H new ATOM 871 N THR A 55 19.718 16.917 15.673 1.00 0.00 N ATOM 872 CA THR A 55 19.137 18.243 15.664 1.00 0.00 C ATOM 873 C THR A 55 19.105 18.871 17.064 1.00 0.00 C ATOM 874 O THR A 55 19.416 18.247 18.071 1.00 0.00 O ATOM 875 CB THR A 55 17.780 18.108 14.987 1.00 0.00 C ATOM 876 OG1 THR A 55 16.870 17.459 15.854 1.00 0.00 O ATOM 877 CG2 THR A 55 17.803 17.407 13.627 1.00 0.00 C ATOM 0 H THR A 55 19.108 16.226 16.110 1.00 0.00 H new ATOM 0 HA THR A 55 19.745 18.951 15.101 1.00 0.00 H new ATOM 0 HB THR A 55 17.456 19.128 14.779 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.260 16.615 16.165 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.791 17.359 13.225 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.440 17.965 12.941 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.195 16.397 13.745 1.00 0.00 H new ATOM 885 N LEU A 56 18.619 20.114 17.060 1.00 0.00 N ATOM 886 CA LEU A 56 18.141 20.920 18.158 1.00 0.00 C ATOM 887 C LEU A 56 17.125 20.140 18.999 1.00 0.00 C ATOM 888 O LEU A 56 17.386 19.904 20.174 1.00 0.00 O ATOM 889 CB LEU A 56 17.801 22.327 17.680 1.00 0.00 C ATOM 890 CG LEU A 56 18.993 23.205 17.257 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.469 24.454 16.560 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.916 23.520 18.433 1.00 0.00 C ATOM 0 H LEU A 56 18.548 20.627 16.181 1.00 0.00 H new ATOM 0 HA LEU A 56 18.919 21.122 18.894 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.117 22.246 16.835 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.263 22.840 18.477 1.00 0.00 H new ATOM 0 HG LEU A 56 19.613 22.655 16.549 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.308 25.081 16.258 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.895 24.166 15.679 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.828 25.011 17.244 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.743 24.141 18.090 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.357 24.053 19.202 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.308 22.591 18.847 1.00 0.00 H new ATOM 904 N SER A 57 16.085 19.666 18.318 1.00 0.00 N ATOM 905 CA SER A 57 14.997 19.034 19.036 1.00 0.00 C ATOM 906 C SER A 57 15.311 17.706 19.733 1.00 0.00 C ATOM 907 O SER A 57 14.552 17.237 20.577 1.00 0.00 O ATOM 908 CB SER A 57 13.832 18.870 18.058 1.00 0.00 C ATOM 909 OG SER A 57 13.070 20.052 18.130 1.00 0.00 O ATOM 0 H SER A 57 15.978 19.707 17.304 1.00 0.00 H new ATOM 0 HA SER A 57 14.758 19.694 19.870 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.198 18.708 17.044 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.226 18.003 18.321 1.00 0.00 H new ATOM 0 HG SER A 57 12.310 19.989 17.514 1.00 0.00 H new ATOM 915 N ASP A 58 16.322 16.993 19.252 1.00 0.00 N ATOM 916 CA ASP A 58 16.875 15.748 19.750 1.00 0.00 C ATOM 917 C ASP A 58 17.344 15.859 21.204 1.00 0.00 C ATOM 918 O ASP A 58 17.272 14.937 22.012 1.00 0.00 O ATOM 919 CB ASP A 58 18.048 15.184 18.946 1.00 0.00 C ATOM 920 CG ASP A 58 17.592 14.397 17.723 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.983 13.309 17.844 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.716 14.999 16.637 1.00 0.00 O ATOM 0 H ASP A 58 16.822 17.307 18.420 1.00 0.00 H new ATOM 0 HA ASP A 58 16.033 15.063 19.652 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.693 16.003 18.627 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.647 14.538 19.588 1.00 0.00 H new ATOM 927 N TYR A 59 17.952 17.011 21.474 1.00 0.00 N ATOM 928 CA TYR A 59 18.551 17.398 22.735 1.00 0.00 C ATOM 929 C TYR A 59 17.689 18.385 23.513 1.00 0.00 C ATOM 930 O TYR A 59 18.136 18.824 24.566 1.00 0.00 O ATOM 931 CB TYR A 59 19.874 18.098 22.398 1.00 0.00 C ATOM 932 CG TYR A 59 21.006 17.225 21.914 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.509 16.217 22.749 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.398 17.336 20.571 1.00 0.00 C ATOM 935 CE1 TYR A 59 22.482 15.315 22.317 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.343 16.428 20.087 1.00 0.00 C ATOM 937 CZ TYR A 59 22.829 15.448 20.962 1.00 0.00 C ATOM 938 OH TYR A 59 23.605 14.488 20.380 1.00 0.00 O ATOM 0 H TYR A 59 18.042 17.742 20.768 1.00 0.00 H new ATOM 0 HA TYR A 59 18.675 16.508 23.352 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.675 18.849 21.634 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.212 18.630 23.287 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.132 16.136 23.758 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.982 18.100 19.931 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.930 14.578 22.968 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.690 16.480 19.065 1.00 0.00 H new ATOM 0 HH TYR A 59 24.128 14.028 21.069 1.00 0.00 H new ATOM 948 N ASN A 60 16.528 18.745 22.965 1.00 0.00 N ATOM 949 CA ASN A 60 15.483 19.473 23.665 1.00 0.00 C ATOM 950 C ASN A 60 15.731 20.974 23.727 1.00 0.00 C ATOM 951 O ASN A 60 15.284 21.592 24.696 1.00 0.00 O ATOM 952 CB ASN A 60 15.139 18.934 25.060 1.00 0.00 C ATOM 953 CG ASN A 60 14.449 17.599 25.287 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.005 16.731 25.955 1.00 0.00 O ATOM 955 ND2 ASN A 60 13.155 17.458 24.994 1.00 0.00 N ATOM 0 H ASN A 60 16.288 18.530 21.997 1.00 0.00 H new ATOM 0 HA ASN A 60 14.607 19.295 23.041 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.076 18.896 25.616 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.515 19.689 25.538 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.644 16.639 25.324 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.677 18.169 24.440 1.00 0.00 H new ATOM 962 N ILE A 61 16.365 21.509 22.686 1.00 0.00 N ATOM 963 CA ILE A 61 16.670 22.928 22.710 1.00 0.00 C ATOM 964 C ILE A 61 15.537 23.637 21.964 1.00 0.00 C ATOM 965 O ILE A 61 15.546 23.688 20.743 1.00 0.00 O ATOM 966 CB ILE A 61 17.979 23.102 21.933 1.00 0.00 C ATOM 967 CG1 ILE A 61 19.060 22.179 22.507 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.378 24.568 21.762 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.354 21.994 21.729 1.00 0.00 C ATOM 0 H ILE A 61 16.665 21.004 21.852 1.00 0.00 H new ATOM 0 HA ILE A 61 16.766 23.328 23.719 1.00 0.00 H new ATOM 0 HB ILE A 61 17.829 22.777 20.903 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.321 22.552 23.497 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.614 21.194 22.645 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.313 24.628 21.204 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.596 25.097 21.217 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.510 25.026 22.742 1.00 0.00 H new ATOM 0 HD11 ILE A 61 21.010 21.313 22.271 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.131 21.579 20.746 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.849 22.958 21.612 1.00 0.00 H new ATOM 981 N GLN A 62 14.536 24.120 22.696 1.00 0.00 N ATOM 982 CA GLN A 62 13.485 24.937 22.133 1.00 0.00 C ATOM 983 C GLN A 62 13.704 26.414 22.444 1.00 0.00 C ATOM 984 O GLN A 62 14.812 26.836 22.758 1.00 0.00 O ATOM 985 CB GLN A 62 12.192 24.480 22.811 1.00 0.00 C ATOM 986 CG GLN A 62 11.767 23.007 22.741 1.00 0.00 C ATOM 987 CD GLN A 62 11.462 22.490 21.345 1.00 0.00 C ATOM 988 OE1 GLN A 62 11.405 23.223 20.350 1.00 0.00 O ATOM 989 NE2 GLN A 62 11.323 21.172 21.278 1.00 0.00 N ATOM 0 H GLN A 62 14.438 23.951 23.697 1.00 0.00 H new ATOM 0 HA GLN A 62 13.458 24.828 21.049 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.268 24.746 23.865 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.379 25.072 22.391 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.559 22.395 23.173 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.883 22.870 23.364 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.378 20.610 22.127 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.161 20.721 20.377 1.00 0.00 H new ATOM 998 N LYS A 63 12.674 27.260 22.393 1.00 0.00 N ATOM 999 CA LYS A 63 12.703 28.623 22.884 1.00 0.00 C ATOM 1000 C LYS A 63 13.047 28.680 24.373 1.00 0.00 C ATOM 1001 O LYS A 63 12.559 27.865 25.150 1.00 0.00 O ATOM 1002 CB LYS A 63 11.380 29.310 22.529 1.00 0.00 C ATOM 1003 CG LYS A 63 11.403 30.822 22.780 1.00 0.00 C ATOM 1004 CD LYS A 63 10.349 31.647 22.037 1.00 0.00 C ATOM 1005 CE LYS A 63 8.885 31.297 22.296 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.945 32.122 21.519 1.00 0.00 N ATOM 0 H LYS A 63 11.772 26.999 21.995 1.00 0.00 H new ATOM 0 HA LYS A 63 13.504 29.176 22.394 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.151 29.125 21.479 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.576 28.863 23.114 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.281 30.994 23.849 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.388 31.200 22.507 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.497 32.696 22.294 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.536 31.551 20.967 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.721 30.247 22.055 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.672 31.417 23.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.969 31.837 21.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.077 33.124 21.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.124 31.989 20.503 1.00 0.00 H new ATOM 1020 N GLU A 64 13.940 29.572 24.787 1.00 0.00 N ATOM 1021 CA GLU A 64 14.196 29.856 26.191 1.00 0.00 C ATOM 1022 C GLU A 64 15.209 28.859 26.751 1.00 0.00 C ATOM 1023 O GLU A 64 15.206 28.616 27.953 1.00 0.00 O ATOM 1024 CB GLU A 64 12.957 30.103 27.051 1.00 0.00 C ATOM 1025 CG GLU A 64 13.189 30.941 28.304 1.00 0.00 C ATOM 1026 CD GLU A 64 11.870 31.344 28.960 1.00 0.00 C ATOM 1027 OE1 GLU A 64 10.859 31.597 28.270 1.00 0.00 O ATOM 1028 OE2 GLU A 64 11.995 31.389 30.197 1.00 0.00 O ATOM 0 H GLU A 64 14.512 30.124 24.148 1.00 0.00 H new ATOM 0 HA GLU A 64 14.660 30.841 26.242 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.203 30.597 26.438 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.544 29.139 27.350 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.792 30.376 29.014 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.756 31.835 28.045 1.00 0.00 H new ATOM 1035 N SER A 65 16.225 28.532 25.960 1.00 0.00 N ATOM 1036 CA SER A 65 17.308 27.606 26.274 1.00 0.00 C ATOM 1037 C SER A 65 18.627 28.368 26.188 1.00 0.00 C ATOM 1038 O SER A 65 18.878 29.036 25.189 1.00 0.00 O ATOM 1039 CB SER A 65 17.223 26.543 25.179 1.00 0.00 C ATOM 1040 OG SER A 65 16.110 25.676 25.195 1.00 0.00 O ATOM 0 H SER A 65 16.321 28.930 25.026 1.00 0.00 H new ATOM 0 HA SER A 65 17.241 27.165 27.268 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.239 27.052 24.215 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.125 25.933 25.232 1.00 0.00 H new ATOM 0 HG SER A 65 15.518 25.890 24.444 1.00 0.00 H new ATOM 1046 N THR A 66 19.513 28.114 27.152 1.00 0.00 N ATOM 1047 CA THR A 66 20.841 28.676 27.217 1.00 0.00 C ATOM 1048 C THR A 66 21.859 27.532 27.197 1.00 0.00 C ATOM 1049 O THR A 66 21.705 26.657 28.051 1.00 0.00 O ATOM 1050 CB THR A 66 20.978 29.396 28.565 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.008 30.408 28.737 1.00 0.00 O ATOM 1052 CG2 THR A 66 22.296 30.140 28.769 1.00 0.00 C ATOM 0 H THR A 66 19.308 27.488 27.931 1.00 0.00 H new ATOM 0 HA THR A 66 21.010 29.355 26.381 1.00 0.00 H new ATOM 0 HB THR A 66 20.880 28.568 29.267 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.134 30.837 29.609 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.297 30.616 29.750 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.125 29.435 28.706 1.00 0.00 H new ATOM 0 HG23 THR A 66 22.408 30.901 27.997 1.00 0.00 H new ATOM 1060 N LEU A 67 22.793 27.523 26.252 1.00 0.00 N ATOM 1061 CA LEU A 67 23.805 26.509 26.061 1.00 0.00 C ATOM 1062 C LEU A 67 25.118 27.153 26.546 1.00 0.00 C ATOM 1063 O LEU A 67 25.251 28.367 26.502 1.00 0.00 O ATOM 1064 CB LEU A 67 23.943 26.215 24.566 1.00 0.00 C ATOM 1065 CG LEU A 67 22.689 25.692 23.874 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.812 26.826 23.341 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.091 24.688 22.783 1.00 0.00 C ATOM 0 H LEU A 67 22.861 28.271 25.562 1.00 0.00 H new ATOM 0 HA LEU A 67 23.564 25.586 26.589 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.258 27.129 24.063 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.741 25.485 24.431 1.00 0.00 H new ATOM 0 HG LEU A 67 22.071 25.171 24.605 1.00 0.00 H new ATOM 0 HD11 LEU A 67 20.930 26.407 22.856 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.502 27.466 24.167 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.378 27.415 22.619 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.196 24.312 22.287 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.731 25.182 22.052 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.631 23.856 23.235 1.00 0.00 H new ATOM 1079 N HIS A 68 26.089 26.288 26.834 1.00 0.00 N ATOM 1080 CA HIS A 68 27.420 26.691 27.239 1.00 0.00 C ATOM 1081 C HIS A 68 28.413 26.164 26.207 1.00 0.00 C ATOM 1082 O HIS A 68 28.248 25.050 25.698 1.00 0.00 O ATOM 1083 CB HIS A 68 27.714 26.261 28.685 1.00 0.00 C ATOM 1084 CG HIS A 68 26.663 26.321 29.755 1.00 0.00 C ATOM 1085 ND1 HIS A 68 25.728 25.316 30.000 1.00 0.00 N ATOM 1086 CD2 HIS A 68 26.433 27.324 30.655 1.00 0.00 C ATOM 1087 CE1 HIS A 68 24.935 25.829 30.943 1.00 0.00 C ATOM 1088 NE2 HIS A 68 25.276 27.065 31.359 1.00 0.00 N ATOM 0 H HIS A 68 25.964 25.277 26.790 1.00 0.00 H new ATOM 0 HA HIS A 68 27.512 27.777 27.257 1.00 0.00 H new ATOM 0 HB2 HIS A 68 28.063 25.229 28.643 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.551 26.867 29.031 1.00 0.00 H new ATOM 0 HD2 HIS A 68 27.063 28.190 30.794 1.00 0.00 H new ATOM 0 HE1 HIS A 68 24.085 25.295 31.342 1.00 0.00 H new ATOM 0 HE2 HIS A 68 24.795 27.663 32.031 1.00 0.00 H new ATOM 1096 N LEU A 69 29.414 26.956 25.845 1.00 0.00 N ATOM 1097 CA LEU A 69 30.284 26.740 24.696 1.00 0.00 C ATOM 1098 C LEU A 69 31.673 26.769 25.345 1.00 0.00 C ATOM 1099 O LEU A 69 32.109 27.801 25.826 1.00 0.00 O ATOM 1100 CB LEU A 69 29.990 27.558 23.440 1.00 0.00 C ATOM 1101 CG LEU A 69 30.960 27.412 22.276 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.367 28.032 21.005 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.325 28.053 22.533 1.00 0.00 C ATOM 0 H LEU A 69 29.652 27.801 26.365 1.00 0.00 H new ATOM 0 HA LEU A 69 30.128 25.796 24.173 1.00 0.00 H new ATOM 0 HB2 LEU A 69 28.994 27.290 23.087 1.00 0.00 H new ATOM 0 HB3 LEU A 69 29.955 28.610 23.722 1.00 0.00 H new ATOM 0 HG LEU A 69 31.114 26.340 22.155 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.073 27.919 20.182 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.434 27.527 20.755 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.172 29.091 21.174 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.964 27.910 21.662 1.00 0.00 H new ATOM 0 HD22 LEU A 69 32.197 29.120 22.718 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.788 27.587 23.403 1.00 0.00 H new ATOM 1115 N VAL A 70 32.396 25.651 25.210 1.00 0.00 N ATOM 1116 CA VAL A 70 33.773 25.575 25.668 1.00 0.00 C ATOM 1117 C VAL A 70 34.537 25.480 24.344 1.00 0.00 C ATOM 1118 O VAL A 70 34.216 24.771 23.397 1.00 0.00 O ATOM 1119 CB VAL A 70 33.804 24.431 26.671 1.00 0.00 C ATOM 1120 CG1 VAL A 70 32.990 24.810 27.913 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.446 23.037 26.154 1.00 0.00 C ATOM 0 H VAL A 70 32.044 24.792 24.787 1.00 0.00 H new ATOM 0 HA VAL A 70 34.232 26.391 26.226 1.00 0.00 H new ATOM 0 HB VAL A 70 34.858 24.314 26.922 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.015 23.988 28.629 1.00 0.00 H new ATOM 0 HG12 VAL A 70 33.418 25.702 28.370 1.00 0.00 H new ATOM 0 HG13 VAL A 70 31.958 25.009 27.625 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.508 22.319 26.971 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.432 23.046 25.755 1.00 0.00 H new ATOM 0 HG23 VAL A 70 34.143 22.751 25.366 1.00 0.00 H new ATOM 1131 N LEU A 71 35.682 26.141 24.450 1.00 0.00 N ATOM 1132 CA LEU A 71 36.663 26.129 23.386 1.00 0.00 C ATOM 1133 C LEU A 71 37.753 25.145 23.790 1.00 0.00 C ATOM 1134 O LEU A 71 38.239 25.083 24.915 1.00 0.00 O ATOM 1135 CB LEU A 71 37.223 27.543 23.213 1.00 0.00 C ATOM 1136 CG LEU A 71 36.224 28.573 22.673 1.00 0.00 C ATOM 1137 CD1 LEU A 71 36.835 29.969 22.772 1.00 0.00 C ATOM 1138 CD2 LEU A 71 35.800 28.268 21.241 1.00 0.00 C ATOM 0 H LEU A 71 35.950 26.692 25.266 1.00 0.00 H new ATOM 0 HA LEU A 71 36.230 25.822 22.434 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.595 27.891 24.177 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.078 27.499 22.538 1.00 0.00 H new ATOM 0 HG LEU A 71 35.322 28.524 23.282 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.127 30.704 22.389 1.00 0.00 H new ATOM 0 HD12 LEU A 71 37.063 30.193 23.814 1.00 0.00 H new ATOM 0 HD13 LEU A 71 37.752 30.007 22.184 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.092 29.025 20.902 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.676 28.275 20.593 1.00 0.00 H new ATOM 0 HD23 LEU A 71 35.328 27.286 21.203 1.00 0.00 H new ATOM 1150 N ARG A 72 38.243 24.412 22.793 1.00 0.00 N ATOM 1151 CA ARG A 72 39.363 23.502 22.909 1.00 0.00 C ATOM 1152 C ARG A 72 39.172 22.193 23.671 1.00 0.00 C ATOM 1153 O ARG A 72 39.756 21.169 23.319 1.00 0.00 O ATOM 1154 CB ARG A 72 40.696 24.229 23.084 1.00 0.00 C ATOM 1155 CG ARG A 72 41.962 23.374 22.936 1.00 0.00 C ATOM 1156 CD ARG A 72 42.383 22.839 21.565 1.00 0.00 C ATOM 1157 NE ARG A 72 43.834 22.852 21.405 1.00 0.00 N ATOM 1158 CZ ARG A 72 44.507 23.037 20.267 1.00 0.00 C ATOM 1159 NH1 ARG A 72 43.813 23.070 19.122 1.00 0.00 N ATOM 1160 NH2 ARG A 72 45.835 23.149 20.172 1.00 0.00 N ATOM 0 H ARG A 72 37.852 24.442 21.851 1.00 0.00 H new ATOM 0 HA ARG A 72 39.412 23.045 21.921 1.00 0.00 H new ATOM 0 HB2 ARG A 72 40.743 25.038 22.355 1.00 0.00 H new ATOM 0 HB3 ARG A 72 40.708 24.689 24.072 1.00 0.00 H new ATOM 0 HG2 ARG A 72 42.795 23.963 23.321 1.00 0.00 H new ATOM 0 HG3 ARG A 72 41.848 22.514 23.596 1.00 0.00 H new ATOM 0 HD2 ARG A 72 42.012 21.822 21.441 1.00 0.00 H new ATOM 0 HD3 ARG A 72 41.925 23.443 20.782 1.00 0.00 H new ATOM 0 HE ARG A 72 44.390 22.705 22.248 1.00 0.00 H new ATOM 0 HH11 ARG A 72 42.800 22.955 19.136 1.00 0.00 H new ATOM 0 HH12 ARG A 72 44.298 23.210 18.236 1.00 0.00 H new ATOM 0 HH21 ARG A 72 46.413 23.094 21.011 1.00 0.00 H new ATOM 0 HH22 ARG A 72 46.271 23.289 19.261 1.00 0.00 H new ATOM 1174 N LEU A 73 38.423 22.156 24.765 1.00 0.00 N ATOM 1175 CA LEU A 73 38.459 21.053 25.709 1.00 0.00 C ATOM 1176 C LEU A 73 37.089 20.856 26.363 1.00 0.00 C ATOM 1177 O LEU A 73 36.224 21.733 26.360 1.00 0.00 O ATOM 1178 CB LEU A 73 39.718 21.121 26.571 1.00 0.00 C ATOM 1179 CG LEU A 73 39.629 21.920 27.868 1.00 0.00 C ATOM 1180 CD1 LEU A 73 40.808 21.578 28.787 1.00 0.00 C ATOM 1181 CD2 LEU A 73 39.598 23.396 27.466 1.00 0.00 C ATOM 0 H LEU A 73 37.770 22.896 25.022 1.00 0.00 H new ATOM 0 HA LEU A 73 38.595 20.088 25.221 1.00 0.00 H new ATOM 0 HB2 LEU A 73 40.013 20.102 26.821 1.00 0.00 H new ATOM 0 HB3 LEU A 73 40.520 21.545 25.966 1.00 0.00 H new ATOM 0 HG LEU A 73 38.732 21.678 28.438 1.00 0.00 H new ATOM 0 HD11 LEU A 73 40.731 22.156 29.708 1.00 0.00 H new ATOM 0 HD12 LEU A 73 40.789 20.514 29.023 1.00 0.00 H new ATOM 0 HD13 LEU A 73 41.744 21.821 28.284 1.00 0.00 H new ATOM 0 HD21 LEU A 73 39.534 24.015 28.361 1.00 0.00 H new ATOM 0 HD22 LEU A 73 40.507 23.643 26.918 1.00 0.00 H new ATOM 0 HD23 LEU A 73 38.730 23.583 26.833 1.00 0.00 H new ATOM 1193 N ARG A 74 36.920 19.723 27.046 1.00 0.00 N ATOM 1194 CA ARG A 74 35.692 19.267 27.657 1.00 0.00 C ATOM 1195 C ARG A 74 35.736 19.686 29.130 1.00 0.00 C ATOM 1196 O ARG A 74 35.865 18.864 30.028 1.00 0.00 O ATOM 1197 CB ARG A 74 35.585 17.741 27.512 1.00 0.00 C ATOM 1198 CG ARG A 74 34.272 17.084 27.919 1.00 0.00 C ATOM 1199 CD ARG A 74 34.136 15.641 27.442 1.00 0.00 C ATOM 1200 NE ARG A 74 32.754 15.193 27.615 1.00 0.00 N ATOM 1201 CZ ARG A 74 32.156 14.292 26.825 1.00 0.00 C ATOM 1202 NH1 ARG A 74 32.747 13.872 25.693 1.00 0.00 N ATOM 1203 NH2 ARG A 74 30.949 13.848 27.167 1.00 0.00 N ATOM 0 H ARG A 74 37.688 19.068 27.190 1.00 0.00 H new ATOM 0 HA ARG A 74 34.817 19.704 27.176 1.00 0.00 H new ATOM 0 HB2 ARG A 74 35.778 17.488 26.469 1.00 0.00 H new ATOM 0 HB3 ARG A 74 36.383 17.291 28.102 1.00 0.00 H new ATOM 0 HG2 ARG A 74 34.185 17.108 29.005 1.00 0.00 H new ATOM 0 HG3 ARG A 74 33.444 17.669 27.520 1.00 0.00 H new ATOM 0 HD2 ARG A 74 34.424 15.566 26.394 1.00 0.00 H new ATOM 0 HD3 ARG A 74 34.811 14.996 28.005 1.00 0.00 H new ATOM 0 HE ARG A 74 32.214 15.591 28.383 1.00 0.00 H new ATOM 0 HH11 ARG A 74 33.661 14.240 25.428 1.00 0.00 H new ATOM 0 HH12 ARG A 74 32.282 13.185 25.099 1.00 0.00 H new ATOM 0 HH21 ARG A 74 30.500 14.194 28.015 1.00 0.00 H new ATOM 0 HH22 ARG A 74 30.473 13.162 26.581 1.00 0.00 H new ATOM 1217 N GLY A 75 35.465 20.970 29.367 1.00 0.00 N ATOM 1218 CA GLY A 75 35.320 21.576 30.671 1.00 0.00 C ATOM 1219 C GLY A 75 33.984 22.297 30.886 1.00 0.00 C ATOM 1220 O GLY A 75 32.892 21.757 30.693 1.00 0.00 O ATOM 0 H GLY A 75 35.336 21.641 28.610 1.00 0.00 H new ATOM 0 HA2 GLY A 75 35.429 20.803 31.432 1.00 0.00 H new ATOM 0 HA3 GLY A 75 36.132 22.288 30.820 1.00 0.00 H new ATOM 1224 N GLY A 76 34.076 23.549 31.330 1.00 0.00 N ATOM 1225 CA GLY A 76 32.955 24.302 31.826 1.00 0.00 C ATOM 1226 C GLY A 76 33.327 24.902 33.175 1.00 0.00 C ATOM 1227 O GLY A 76 34.373 24.593 33.787 1.00 0.00 O ATOM 1228 OXT GLY A 76 32.386 25.567 33.660 1.00 0.00 O ATOM 0 H GLY A 76 34.954 24.067 31.350 1.00 0.00 H new ATOM 0 HA2 GLY A 76 32.689 25.091 31.122 1.00 0.00 H new ATOM 0 HA3 GLY A 76 32.082 23.657 31.927 1.00 0.00 H new TER 1232 GLY A 76