USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 66 THR OG1 : rot -159:sc= -0.614 USER MOD Set 1.2: A 68 HIS : no HD1:sc= -1.28 X(o=-1.9,f=-1.9) USER MOD Set 2.1: A 55 THR OG1 : rot 122:sc= 1.32 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 1.02 USER MOD Set 3.1: A 7 THR OG1 : rot -57:sc= 0.82 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc=-0.00467 USER MOD Single : A 1 MET CE :methyl -156:sc= -0.143 (180deg=-0.987) USER MOD Single : A 1 MET N :NH3+ -160:sc= 0.768 (180deg=-0.103) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 6 LYS NZ :NH3+ 156:sc= -1.02 (180deg=-1.65) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0593 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= -1.66 K(o=-1.7,f=-3.7!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -0.758 (180deg=-1.31) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0671 (180deg=-0.528) USER MOD Single : A 31 GLN : amide:sc= -3.98! C(o=-4!,f=-4.9!) USER MOD Single : A 33 LYS NZ :NH3+ -160:sc= -0.0235 (180deg=-0.274) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0398 F(o=-0.82,f=-0.04) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.5 F(o=-3.5,f=-0.5) USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= -0.0272 (180deg=-0.292) USER MOD Single : A 49 GLN :FLIP amide:sc= -3.74! C(o=-6.3!,f=-3.7!) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.46 USER MOD Single : A 60 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.0062) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0.29) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= -0.556 (180deg=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.681 25.466 1.165 1.00 0.00 N ATOM 2 CA MET A 1 29.324 25.979 1.504 1.00 0.00 C ATOM 3 C MET A 1 29.453 27.345 2.171 1.00 0.00 C ATOM 4 O MET A 1 30.503 27.984 2.102 1.00 0.00 O ATOM 5 CB MET A 1 28.631 24.998 2.456 1.00 0.00 C ATOM 6 CG MET A 1 28.931 23.561 2.022 1.00 0.00 C ATOM 7 SD MET A 1 27.942 22.414 3.014 1.00 0.00 S ATOM 8 CE MET A 1 28.751 22.719 4.606 1.00 0.00 C ATOM 0 H1 MET A 1 30.602 24.732 0.433 1.00 0.00 H new ATOM 0 H2 MET A 1 31.269 26.247 0.810 1.00 0.00 H new ATOM 0 H3 MET A 1 31.121 25.060 2.015 1.00 0.00 H new ATOM 0 HA MET A 1 28.730 26.076 0.595 1.00 0.00 H new ATOM 0 HB2 MET A 1 28.978 25.160 3.477 1.00 0.00 H new ATOM 0 HB3 MET A 1 27.555 25.172 2.453 1.00 0.00 H new ATOM 0 HG2 MET A 1 28.703 23.434 0.964 1.00 0.00 H new ATOM 0 HG3 MET A 1 29.992 23.346 2.147 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.615 21.854 5.255 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.816 22.889 4.446 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.310 23.598 5.076 1.00 0.00 H new ATOM 20 N GLN A 2 28.375 27.786 2.818 1.00 0.00 N ATOM 21 CA GLN A 2 28.368 29.079 3.501 1.00 0.00 C ATOM 22 C GLN A 2 27.546 29.007 4.785 1.00 0.00 C ATOM 23 O GLN A 2 26.480 28.396 4.824 1.00 0.00 O ATOM 24 CB GLN A 2 27.780 30.152 2.580 1.00 0.00 C ATOM 25 CG GLN A 2 27.735 31.494 3.316 1.00 0.00 C ATOM 26 CD GLN A 2 27.481 32.625 2.325 1.00 0.00 C ATOM 27 OE1 GLN A 2 28.315 33.518 2.175 1.00 0.00 O ATOM 28 NE2 GLN A 2 26.374 32.640 1.634 1.00 0.00 N ATOM 0 H GLN A 2 27.498 27.269 2.884 1.00 0.00 H new ATOM 0 HA GLN A 2 29.396 29.337 3.755 1.00 0.00 H new ATOM 0 HB2 GLN A 2 28.384 30.241 1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.777 29.865 2.265 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.949 31.478 4.071 1.00 0.00 H new ATOM 0 HG3 GLN A 2 28.676 31.663 3.839 1.00 0.00 H new ATOM 0 HE21 GLN A 2 25.684 31.899 1.760 1.00 0.00 H new ATOM 0 HE22 GLN A 2 26.199 33.393 0.968 1.00 0.00 H new ATOM 37 N ILE A 3 28.060 29.647 5.833 1.00 0.00 N ATOM 38 CA ILE A 3 27.381 29.667 7.127 1.00 0.00 C ATOM 39 C ILE A 3 27.460 31.049 7.760 1.00 0.00 C ATOM 40 O ILE A 3 28.445 31.768 7.588 1.00 0.00 O ATOM 41 CB ILE A 3 27.999 28.633 8.068 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.440 29.028 8.422 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.006 27.259 7.392 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.018 28.022 9.415 1.00 0.00 C ATOM 0 H ILE A 3 28.943 30.158 5.812 1.00 0.00 H new ATOM 0 HA ILE A 3 26.333 29.419 6.961 1.00 0.00 H new ATOM 0 HB ILE A 3 27.404 28.593 8.981 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.052 29.057 7.520 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.458 30.030 8.852 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.447 26.524 8.066 1.00 0.00 H new ATOM 0 HG22 ILE A 3 26.984 26.965 7.154 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.592 27.308 6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.041 28.304 9.665 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.412 28.015 10.321 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.015 27.027 8.969 1.00 0.00 H new ATOM 56 N PHE A 4 26.409 31.416 8.480 1.00 0.00 N ATOM 57 CA PHE A 4 26.344 32.726 9.132 1.00 0.00 C ATOM 58 C PHE A 4 26.783 32.626 10.585 1.00 0.00 C ATOM 59 O PHE A 4 26.210 31.853 11.351 1.00 0.00 O ATOM 60 CB PHE A 4 24.909 33.257 9.073 1.00 0.00 C ATOM 61 CG PHE A 4 24.467 33.396 7.635 1.00 0.00 C ATOM 62 CD1 PHE A 4 23.947 32.290 6.954 1.00 0.00 C ATOM 63 CD2 PHE A 4 24.575 34.632 6.982 1.00 0.00 C ATOM 64 CE1 PHE A 4 23.528 32.418 5.625 1.00 0.00 C ATOM 65 CE2 PHE A 4 24.157 34.759 5.651 1.00 0.00 C ATOM 66 CZ PHE A 4 23.637 33.651 4.971 1.00 0.00 C ATOM 0 H PHE A 4 25.588 30.829 8.630 1.00 0.00 H new ATOM 0 HA PHE A 4 27.015 33.407 8.608 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.240 32.580 9.604 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.849 34.223 9.575 1.00 0.00 H new ATOM 0 HD1 PHE A 4 23.869 31.336 7.455 1.00 0.00 H new ATOM 0 HD2 PHE A 4 24.980 35.486 7.505 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.120 31.565 5.103 1.00 0.00 H new ATOM 0 HE2 PHE A 4 24.236 35.712 5.149 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.320 33.747 3.943 1.00 0.00 H new ATOM 76 N VAL A 5 27.789 33.421 10.975 1.00 0.00 N ATOM 77 CA VAL A 5 28.276 33.419 12.356 1.00 0.00 C ATOM 78 C VAL A 5 27.957 34.749 13.023 1.00 0.00 C ATOM 79 O VAL A 5 28.477 35.799 12.644 1.00 0.00 O ATOM 80 CB VAL A 5 29.784 33.160 12.387 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.340 33.471 13.787 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.027 31.684 12.075 1.00 0.00 C ATOM 0 H VAL A 5 28.277 34.069 10.356 1.00 0.00 H new ATOM 0 HA VAL A 5 27.775 32.621 12.904 1.00 0.00 H new ATOM 0 HB VAL A 5 30.281 33.795 11.654 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.414 33.284 13.802 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.150 34.516 14.030 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.851 32.833 14.523 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.098 31.480 12.093 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.528 31.067 12.822 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.629 31.451 11.087 1.00 0.00 H new ATOM 92 N LYS A 6 27.091 34.675 14.010 1.00 0.00 N ATOM 93 CA LYS A 6 26.668 35.859 14.746 1.00 0.00 C ATOM 94 C LYS A 6 27.540 36.074 15.987 1.00 0.00 C ATOM 95 O LYS A 6 27.433 35.338 16.968 1.00 0.00 O ATOM 96 CB LYS A 6 25.205 35.670 15.149 1.00 0.00 C ATOM 97 CG LYS A 6 24.546 37.015 15.463 1.00 0.00 C ATOM 98 CD LYS A 6 23.025 36.838 15.457 1.00 0.00 C ATOM 99 CE LYS A 6 22.634 35.740 16.451 1.00 0.00 C ATOM 100 NZ LYS A 6 23.421 35.900 17.706 1.00 0.00 N ATOM 0 H LYS A 6 26.661 33.806 14.327 1.00 0.00 H new ATOM 0 HA LYS A 6 26.776 36.742 14.116 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.663 35.174 14.344 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.145 35.019 16.021 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.879 37.380 16.435 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.841 37.760 14.725 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.538 37.776 15.725 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.683 36.576 14.456 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.567 35.795 16.669 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.820 34.758 16.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.909 35.458 18.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 24.348 35.442 17.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.556 36.912 17.904 1.00 0.00 H new ATOM 114 N THR A 7 28.397 37.092 15.928 1.00 0.00 N ATOM 115 CA THR A 7 29.283 37.404 17.050 1.00 0.00 C ATOM 116 C THR A 7 28.487 38.061 18.177 1.00 0.00 C ATOM 117 O THR A 7 27.343 38.472 17.978 1.00 0.00 O ATOM 118 CB THR A 7 30.414 38.331 16.602 1.00 0.00 C ATOM 119 OG1 THR A 7 29.883 39.616 16.323 1.00 0.00 O ATOM 120 CG2 THR A 7 31.087 37.762 15.346 1.00 0.00 C ATOM 0 H THR A 7 28.497 37.710 15.123 1.00 0.00 H new ATOM 0 HA THR A 7 29.720 36.474 17.414 1.00 0.00 H new ATOM 0 HB THR A 7 31.156 38.409 17.396 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.184 39.540 15.640 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.892 38.427 15.032 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.496 36.776 15.567 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.352 37.678 14.546 1.00 0.00 H new ATOM 128 N LEU A 8 29.085 38.184 19.359 1.00 0.00 N ATOM 129 CA LEU A 8 28.390 38.800 20.481 1.00 0.00 C ATOM 130 C LEU A 8 28.328 40.316 20.335 1.00 0.00 C ATOM 131 O LEU A 8 27.404 40.956 20.837 1.00 0.00 O ATOM 132 CB LEU A 8 29.106 38.442 21.788 1.00 0.00 C ATOM 133 CG LEU A 8 28.393 39.121 22.993 1.00 0.00 C ATOM 134 CD1 LEU A 8 28.238 38.126 24.149 1.00 0.00 C ATOM 135 CD2 LEU A 8 29.213 40.326 23.481 1.00 0.00 C ATOM 0 H LEU A 8 30.034 37.870 19.562 1.00 0.00 H new ATOM 0 HA LEU A 8 27.369 38.418 20.496 1.00 0.00 H new ATOM 0 HB2 LEU A 8 29.114 37.360 21.923 1.00 0.00 H new ATOM 0 HB3 LEU A 8 30.146 38.765 21.742 1.00 0.00 H new ATOM 0 HG LEU A 8 27.409 39.454 22.665 1.00 0.00 H new ATOM 0 HD11 LEU A 8 27.738 38.615 24.985 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.644 37.274 23.818 1.00 0.00 H new ATOM 0 HD13 LEU A 8 29.222 37.781 24.467 1.00 0.00 H new ATOM 0 HD21 LEU A 8 28.705 40.794 24.324 1.00 0.00 H new ATOM 0 HD22 LEU A 8 30.202 39.991 23.793 1.00 0.00 H new ATOM 0 HD23 LEU A 8 29.314 41.049 22.672 1.00 0.00 H new ATOM 147 N THR A 9 29.313 40.889 19.652 1.00 0.00 N ATOM 148 CA THR A 9 29.344 42.333 19.464 1.00 0.00 C ATOM 149 C THR A 9 28.231 42.768 18.519 1.00 0.00 C ATOM 150 O THR A 9 28.067 43.958 18.246 1.00 0.00 O ATOM 151 CB THR A 9 30.697 42.768 18.897 1.00 0.00 C ATOM 152 OG1 THR A 9 30.982 42.015 17.727 1.00 0.00 O ATOM 153 CG2 THR A 9 31.791 42.531 19.940 1.00 0.00 C ATOM 0 H THR A 9 30.090 40.384 19.225 1.00 0.00 H new ATOM 0 HA THR A 9 29.195 42.808 20.434 1.00 0.00 H new ATOM 0 HB THR A 9 30.663 43.828 18.647 1.00 0.00 H new ATOM 0 HG1 THR A 9 31.848 42.293 17.362 1.00 0.00 H new ATOM 0 HG21 THR A 9 32.754 42.841 19.534 1.00 0.00 H new ATOM 0 HG22 THR A 9 31.571 43.111 20.836 1.00 0.00 H new ATOM 0 HG23 THR A 9 31.829 41.472 20.193 1.00 0.00 H new ATOM 161 N GLY A 10 27.462 41.798 18.022 1.00 0.00 N ATOM 162 CA GLY A 10 26.366 42.104 17.109 1.00 0.00 C ATOM 163 C GLY A 10 26.861 42.157 15.670 1.00 0.00 C ATOM 164 O GLY A 10 26.117 42.534 14.764 1.00 0.00 O ATOM 0 H GLY A 10 27.577 40.807 18.234 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.587 41.348 17.203 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.917 43.060 17.380 1.00 0.00 H new ATOM 168 N LYS A 11 28.109 41.745 15.456 1.00 0.00 N ATOM 169 CA LYS A 11 28.677 41.716 14.112 1.00 0.00 C ATOM 170 C LYS A 11 28.375 40.370 13.465 1.00 0.00 C ATOM 171 O LYS A 11 28.415 39.335 14.131 1.00 0.00 O ATOM 172 CB LYS A 11 30.191 41.940 14.165 1.00 0.00 C ATOM 173 CG LYS A 11 30.482 43.313 14.774 1.00 0.00 C ATOM 174 CD LYS A 11 31.996 43.544 14.821 1.00 0.00 C ATOM 175 CE LYS A 11 32.289 44.871 15.524 1.00 0.00 C ATOM 176 NZ LYS A 11 33.759 45.013 15.722 1.00 0.00 N ATOM 0 H LYS A 11 28.742 41.429 16.191 1.00 0.00 H new ATOM 0 HA LYS A 11 28.230 42.515 13.521 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.664 41.159 14.760 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.614 41.878 13.162 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.003 44.093 14.182 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.063 43.373 15.779 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.483 42.725 15.350 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.404 43.558 13.810 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.909 45.702 14.929 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.776 44.907 16.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.959 45.915 16.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 34.108 44.227 16.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 34.237 44.997 14.798 1.00 0.00 H new ATOM 190 N THR A 12 28.071 40.387 12.173 1.00 0.00 N ATOM 191 CA THR A 12 27.760 39.156 11.445 1.00 0.00 C ATOM 192 C THR A 12 28.721 38.969 10.279 1.00 0.00 C ATOM 193 O THR A 12 28.844 39.842 9.419 1.00 0.00 O ATOM 194 CB THR A 12 26.328 39.227 10.913 1.00 0.00 C ATOM 195 OG1 THR A 12 25.435 39.442 11.997 1.00 0.00 O ATOM 196 CG2 THR A 12 25.974 37.912 10.213 1.00 0.00 C ATOM 0 H THR A 12 28.032 41.234 11.607 1.00 0.00 H new ATOM 0 HA THR A 12 27.862 38.311 12.126 1.00 0.00 H new ATOM 0 HB THR A 12 26.244 40.048 10.201 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.516 39.490 11.659 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.953 37.965 9.835 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.661 37.745 9.383 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.056 37.089 10.922 1.00 0.00 H new ATOM 204 N ILE A 13 29.394 37.818 10.245 1.00 0.00 N ATOM 205 CA ILE A 13 30.338 37.516 9.164 1.00 0.00 C ATOM 206 C ILE A 13 30.157 36.081 8.695 1.00 0.00 C ATOM 207 O ILE A 13 30.028 35.162 9.503 1.00 0.00 O ATOM 208 CB ILE A 13 31.775 37.721 9.640 1.00 0.00 C ATOM 209 CG1 ILE A 13 31.969 37.017 10.987 1.00 0.00 C ATOM 210 CG2 ILE A 13 32.054 39.218 9.789 1.00 0.00 C ATOM 211 CD1 ILE A 13 33.396 37.236 11.482 1.00 0.00 C ATOM 0 H ILE A 13 29.305 37.083 10.947 1.00 0.00 H new ATOM 0 HA ILE A 13 30.138 38.193 8.334 1.00 0.00 H new ATOM 0 HB ILE A 13 32.467 37.299 8.911 1.00 0.00 H new ATOM 0 HG12 ILE A 13 31.258 37.404 11.716 1.00 0.00 H new ATOM 0 HG13 ILE A 13 31.770 35.950 10.883 1.00 0.00 H new ATOM 0 HG21 ILE A 13 33.079 39.365 10.129 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.916 39.711 8.827 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.366 39.646 10.518 1.00 0.00 H new ATOM 0 HD11 ILE A 13 33.530 36.734 12.440 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.099 36.827 10.757 1.00 0.00 H new ATOM 0 HD13 ILE A 13 33.579 38.304 11.603 1.00 0.00 H new ATOM 223 N THR A 14 30.121 35.904 7.380 1.00 0.00 N ATOM 224 CA THR A 14 29.922 34.578 6.800 1.00 0.00 C ATOM 225 C THR A 14 31.235 33.804 6.733 1.00 0.00 C ATOM 226 O THR A 14 32.315 34.377 6.604 1.00 0.00 O ATOM 227 CB THR A 14 29.309 34.708 5.394 1.00 0.00 C ATOM 228 OG1 THR A 14 29.830 35.871 4.768 1.00 0.00 O ATOM 229 CG2 THR A 14 27.781 34.828 5.500 1.00 0.00 C ATOM 0 H THR A 14 30.226 36.655 6.698 1.00 0.00 H new ATOM 0 HA THR A 14 29.237 34.023 7.441 1.00 0.00 H new ATOM 0 HB THR A 14 29.558 33.825 4.806 1.00 0.00 H new ATOM 0 HG1 THR A 14 29.445 35.960 3.871 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.353 34.920 4.502 1.00 0.00 H new ATOM 0 HG22 THR A 14 27.379 33.939 5.987 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.525 35.710 6.087 1.00 0.00 H new ATOM 237 N LEU A 15 31.109 32.483 6.849 1.00 0.00 N ATOM 238 CA LEU A 15 32.258 31.578 6.834 1.00 0.00 C ATOM 239 C LEU A 15 32.088 30.502 5.756 1.00 0.00 C ATOM 240 O LEU A 15 31.012 29.925 5.602 1.00 0.00 O ATOM 241 CB LEU A 15 32.370 30.902 8.229 1.00 0.00 C ATOM 242 CG LEU A 15 33.769 31.093 8.832 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.919 32.526 9.347 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.948 30.117 10.000 1.00 0.00 C ATOM 0 H LEU A 15 30.211 32.011 6.956 1.00 0.00 H new ATOM 0 HA LEU A 15 33.161 32.146 6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.622 31.323 8.900 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.153 29.838 8.138 1.00 0.00 H new ATOM 0 HG LEU A 15 34.523 30.903 8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 15 34.913 32.657 9.774 1.00 0.00 H new ATOM 0 HD12 LEU A 15 33.783 33.225 8.522 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.167 32.718 10.112 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.940 30.247 10.434 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.191 30.315 10.759 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.841 29.094 9.639 1.00 0.00 H new ATOM 256 N GLU A 16 33.168 30.222 5.037 1.00 0.00 N ATOM 257 CA GLU A 16 33.143 29.183 4.006 1.00 0.00 C ATOM 258 C GLU A 16 33.788 27.922 4.567 1.00 0.00 C ATOM 259 O GLU A 16 34.922 27.960 5.044 1.00 0.00 O ATOM 260 CB GLU A 16 33.907 29.640 2.759 1.00 0.00 C ATOM 261 CG GLU A 16 33.143 30.777 2.075 1.00 0.00 C ATOM 262 CD GLU A 16 33.863 31.191 0.796 1.00 0.00 C ATOM 263 OE1 GLU A 16 33.675 30.526 -0.209 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.592 32.168 0.841 1.00 0.00 O ATOM 0 H GLU A 16 34.066 30.693 5.144 1.00 0.00 H new ATOM 0 HA GLU A 16 32.110 28.985 3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.907 29.975 3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.030 28.805 2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.127 30.456 1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 16 33.062 31.630 2.749 1.00 0.00 H new ATOM 271 N VAL A 17 33.065 26.806 4.519 1.00 0.00 N ATOM 272 CA VAL A 17 33.591 25.542 5.040 1.00 0.00 C ATOM 273 C VAL A 17 33.045 24.361 4.253 1.00 0.00 C ATOM 274 O VAL A 17 32.069 24.473 3.514 1.00 0.00 O ATOM 275 CB VAL A 17 33.246 25.399 6.542 1.00 0.00 C ATOM 276 CG1 VAL A 17 31.783 25.790 6.793 1.00 0.00 C ATOM 277 CG2 VAL A 17 33.459 23.961 7.037 1.00 0.00 C ATOM 0 H VAL A 17 32.124 26.748 4.130 1.00 0.00 H new ATOM 0 HA VAL A 17 34.675 25.549 4.928 1.00 0.00 H new ATOM 0 HB VAL A 17 33.914 26.064 7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 17 31.555 25.684 7.854 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.626 26.825 6.489 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.128 25.139 6.214 1.00 0.00 H new ATOM 0 HG21 VAL A 17 33.207 23.899 8.096 1.00 0.00 H new ATOM 0 HG22 VAL A 17 32.820 23.283 6.472 1.00 0.00 H new ATOM 0 HG23 VAL A 17 34.502 23.678 6.896 1.00 0.00 H new ATOM 287 N GLU A 18 33.696 23.232 4.454 1.00 0.00 N ATOM 288 CA GLU A 18 33.305 21.975 3.800 1.00 0.00 C ATOM 289 C GLU A 18 32.457 21.132 4.761 1.00 0.00 C ATOM 290 O GLU A 18 32.694 21.144 5.965 1.00 0.00 O ATOM 291 CB GLU A 18 34.551 21.186 3.385 1.00 0.00 C ATOM 292 CG GLU A 18 35.374 22.011 2.394 1.00 0.00 C ATOM 293 CD GLU A 18 34.608 22.174 1.084 1.00 0.00 C ATOM 294 OE1 GLU A 18 34.264 21.164 0.494 1.00 0.00 O ATOM 295 OE2 GLU A 18 34.379 23.306 0.691 1.00 0.00 O ATOM 0 H GLU A 18 34.506 23.148 5.068 1.00 0.00 H new ATOM 0 HA GLU A 18 32.720 22.208 2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 18 35.152 20.948 4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.260 20.239 2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 18 35.595 22.990 2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 18 36.330 21.522 2.207 1.00 0.00 H new ATOM 302 N PRO A 19 31.479 20.399 4.285 1.00 0.00 N ATOM 303 CA PRO A 19 30.619 19.571 5.182 1.00 0.00 C ATOM 304 C PRO A 19 31.423 18.500 5.920 1.00 0.00 C ATOM 305 O PRO A 19 31.039 18.063 7.006 1.00 0.00 O ATOM 306 CB PRO A 19 29.580 18.949 4.228 1.00 0.00 C ATOM 307 CG PRO A 19 30.222 18.997 2.877 1.00 0.00 C ATOM 308 CD PRO A 19 31.082 20.258 2.872 1.00 0.00 C ATOM 0 HA PRO A 19 30.159 20.162 5.974 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.342 17.925 4.516 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.645 19.510 4.242 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.829 18.109 2.700 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.471 19.032 2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.948 20.152 2.219 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.523 21.126 2.522 1.00 0.00 H new ATOM 316 N SER A 20 32.537 18.082 5.328 1.00 0.00 N ATOM 317 CA SER A 20 33.389 17.064 5.940 1.00 0.00 C ATOM 318 C SER A 20 34.440 17.713 6.834 1.00 0.00 C ATOM 319 O SER A 20 35.330 17.038 7.354 1.00 0.00 O ATOM 320 CB SER A 20 34.084 16.248 4.849 1.00 0.00 C ATOM 321 OG SER A 20 33.102 15.674 3.995 1.00 0.00 O ATOM 0 H SER A 20 32.871 18.429 4.429 1.00 0.00 H new ATOM 0 HA SER A 20 32.765 16.409 6.548 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.755 16.886 4.274 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.695 15.465 5.298 1.00 0.00 H new ATOM 0 HG SER A 20 33.544 15.152 3.293 1.00 0.00 H new ATOM 327 N ASP A 21 34.309 19.019 7.036 1.00 0.00 N ATOM 328 CA ASP A 21 35.225 19.749 7.900 1.00 0.00 C ATOM 329 C ASP A 21 34.897 19.479 9.362 1.00 0.00 C ATOM 330 O ASP A 21 33.731 19.283 9.716 1.00 0.00 O ATOM 331 CB ASP A 21 35.138 21.248 7.617 1.00 0.00 C ATOM 332 CG ASP A 21 36.437 21.946 8.013 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.224 21.332 8.713 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.621 23.081 7.609 1.00 0.00 O ATOM 0 H ASP A 21 33.578 19.592 6.614 1.00 0.00 H new ATOM 0 HA ASP A 21 36.240 19.409 7.696 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.939 21.413 6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 21 34.304 21.680 8.169 1.00 0.00 H new ATOM 339 N THR A 22 35.918 19.503 10.206 1.00 0.00 N ATOM 340 CA THR A 22 35.730 19.291 11.640 1.00 0.00 C ATOM 341 C THR A 22 35.399 20.605 12.342 1.00 0.00 C ATOM 342 O THR A 22 35.586 21.692 11.787 1.00 0.00 O ATOM 343 CB THR A 22 36.993 18.681 12.254 1.00 0.00 C ATOM 344 OG1 THR A 22 38.070 19.602 12.139 1.00 0.00 O ATOM 345 CG2 THR A 22 37.343 17.387 11.518 1.00 0.00 C ATOM 0 H THR A 22 36.885 19.667 9.927 1.00 0.00 H new ATOM 0 HA THR A 22 34.896 18.603 11.776 1.00 0.00 H new ATOM 0 HB THR A 22 36.816 18.462 13.307 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.878 19.212 12.534 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.242 16.952 11.954 1.00 0.00 H new ATOM 0 HG22 THR A 22 36.517 16.681 11.610 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.520 17.604 10.464 1.00 0.00 H new ATOM 353 N ILE A 23 34.937 20.503 13.576 1.00 0.00 N ATOM 354 CA ILE A 23 34.621 21.703 14.343 1.00 0.00 C ATOM 355 C ILE A 23 35.910 22.448 14.679 1.00 0.00 C ATOM 356 O ILE A 23 35.996 23.663 14.507 1.00 0.00 O ATOM 357 CB ILE A 23 33.865 21.337 15.624 1.00 0.00 C ATOM 358 CG1 ILE A 23 32.755 20.330 15.297 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.238 22.595 16.231 1.00 0.00 C ATOM 360 CD1 ILE A 23 31.924 20.826 14.106 1.00 0.00 C ATOM 0 H ILE A 23 34.774 19.622 14.064 1.00 0.00 H new ATOM 0 HA ILE A 23 33.980 22.350 13.744 1.00 0.00 H new ATOM 0 HB ILE A 23 34.563 20.896 16.336 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.192 19.359 15.066 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.112 20.192 16.166 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.701 22.331 17.142 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.022 23.314 16.468 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.544 23.037 15.516 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.139 20.103 13.883 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.472 21.787 14.352 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.569 20.941 13.235 1.00 0.00 H new ATOM 372 N GLU A 24 36.920 21.708 15.132 1.00 0.00 N ATOM 373 CA GLU A 24 38.206 22.316 15.460 1.00 0.00 C ATOM 374 C GLU A 24 38.663 23.200 14.307 1.00 0.00 C ATOM 375 O GLU A 24 39.438 24.138 14.490 1.00 0.00 O ATOM 376 CB GLU A 24 39.255 21.233 15.720 1.00 0.00 C ATOM 377 CG GLU A 24 38.680 20.171 16.656 1.00 0.00 C ATOM 378 CD GLU A 24 38.220 20.815 17.960 1.00 0.00 C ATOM 379 OE1 GLU A 24 37.108 21.314 17.992 1.00 0.00 O ATOM 380 OE2 GLU A 24 38.989 20.802 18.907 1.00 0.00 O ATOM 0 H GLU A 24 36.874 20.700 15.279 1.00 0.00 H new ATOM 0 HA GLU A 24 38.090 22.919 16.360 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.560 20.775 14.779 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.147 21.676 16.162 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.842 19.667 16.175 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.433 19.411 16.863 1.00 0.00 H new ATOM 387 N ASN A 25 38.149 22.904 13.118 1.00 0.00 N ATOM 388 CA ASN A 25 38.486 23.693 11.940 1.00 0.00 C ATOM 389 C ASN A 25 37.709 25.001 11.973 1.00 0.00 C ATOM 390 O ASN A 25 38.296 26.081 12.040 1.00 0.00 O ATOM 391 CB ASN A 25 38.152 22.925 10.658 1.00 0.00 C ATOM 392 CG ASN A 25 38.853 23.574 9.467 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.323 24.511 8.870 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.019 23.131 9.087 1.00 0.00 N ATOM 0 H ASN A 25 37.505 22.132 12.946 1.00 0.00 H new ATOM 0 HA ASN A 25 39.557 23.898 11.948 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.466 21.886 10.754 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.074 22.919 10.498 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.494 23.561 8.293 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.456 22.354 9.583 1.00 0.00 H new ATOM 401 N VAL A 26 36.384 24.900 11.917 1.00 0.00 N ATOM 402 CA VAL A 26 35.538 26.090 11.942 1.00 0.00 C ATOM 403 C VAL A 26 35.990 27.037 13.043 1.00 0.00 C ATOM 404 O VAL A 26 35.838 28.260 12.942 1.00 0.00 O ATOM 405 CB VAL A 26 34.086 25.684 12.175 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.201 26.930 12.243 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.641 24.804 11.020 1.00 0.00 C ATOM 0 H VAL A 26 35.877 24.017 11.855 1.00 0.00 H new ATOM 0 HA VAL A 26 35.622 26.601 10.983 1.00 0.00 H new ATOM 0 HB VAL A 26 33.999 25.141 13.116 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.166 26.632 12.410 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.532 27.567 13.063 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.274 27.480 11.305 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.604 24.504 11.170 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.727 25.359 10.086 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.273 23.917 10.974 1.00 0.00 H new ATOM 417 N LYS A 27 36.568 26.460 14.081 1.00 0.00 N ATOM 418 CA LYS A 27 37.066 27.246 15.196 1.00 0.00 C ATOM 419 C LYS A 27 38.314 28.000 14.777 1.00 0.00 C ATOM 420 O LYS A 27 38.436 29.203 15.003 1.00 0.00 O ATOM 421 CB LYS A 27 37.400 26.324 16.373 1.00 0.00 C ATOM 422 CG LYS A 27 36.107 25.784 17.000 1.00 0.00 C ATOM 423 CD LYS A 27 36.381 25.272 18.421 1.00 0.00 C ATOM 424 CE LYS A 27 35.055 25.065 19.156 1.00 0.00 C ATOM 425 NZ LYS A 27 34.548 26.381 19.638 1.00 0.00 N ATOM 0 H LYS A 27 36.704 25.454 14.176 1.00 0.00 H new ATOM 0 HA LYS A 27 36.298 27.957 15.500 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.022 25.496 16.032 1.00 0.00 H new ATOM 0 HB3 LYS A 27 37.976 26.869 17.121 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.352 26.570 17.028 1.00 0.00 H new ATOM 0 HG3 LYS A 27 35.706 24.978 16.386 1.00 0.00 H new ATOM 0 HD2 LYS A 27 36.936 24.335 18.380 1.00 0.00 H new ATOM 0 HD3 LYS A 27 37.001 25.986 18.963 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.326 24.603 18.491 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.194 24.386 19.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.787 26.227 20.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 35.324 26.909 20.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.178 26.927 18.833 1.00 0.00 H new ATOM 439 N ALA A 28 39.235 27.275 14.166 1.00 0.00 N ATOM 440 CA ALA A 28 40.484 27.862 13.710 1.00 0.00 C ATOM 441 C ALA A 28 40.213 29.078 12.826 1.00 0.00 C ATOM 442 O ALA A 28 40.974 30.043 12.836 1.00 0.00 O ATOM 443 CB ALA A 28 41.277 26.811 12.934 1.00 0.00 C ATOM 0 H ALA A 28 39.142 26.278 13.974 1.00 0.00 H new ATOM 0 HA ALA A 28 41.062 28.192 14.573 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.215 27.245 12.589 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.487 25.961 13.583 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.695 26.476 12.076 1.00 0.00 H new ATOM 449 N LYS A 29 39.111 29.028 12.082 1.00 0.00 N ATOM 450 CA LYS A 29 38.745 30.145 11.222 1.00 0.00 C ATOM 451 C LYS A 29 38.354 31.353 12.074 1.00 0.00 C ATOM 452 O LYS A 29 39.005 32.397 12.024 1.00 0.00 O ATOM 453 CB LYS A 29 37.589 29.749 10.297 1.00 0.00 C ATOM 454 CG LYS A 29 38.144 28.992 9.081 1.00 0.00 C ATOM 455 CD LYS A 29 37.026 28.202 8.415 1.00 0.00 C ATOM 456 CE LYS A 29 37.609 27.325 7.304 1.00 0.00 C ATOM 457 NZ LYS A 29 38.295 28.186 6.300 1.00 0.00 N ATOM 0 H LYS A 29 38.466 28.238 12.058 1.00 0.00 H new ATOM 0 HA LYS A 29 39.604 30.411 10.606 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.877 29.123 10.835 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.049 30.638 9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.579 29.695 8.370 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.942 28.319 9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.516 27.582 9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.282 28.883 8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.313 26.607 7.725 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.816 26.751 6.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.451 27.644 5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.703 29.015 6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.210 28.501 6.680 1.00 0.00 H new ATOM 471 N ILE A 30 37.275 31.208 12.839 1.00 0.00 N ATOM 472 CA ILE A 30 36.790 32.288 13.681 1.00 0.00 C ATOM 473 C ILE A 30 37.915 32.865 14.548 1.00 0.00 C ATOM 474 O ILE A 30 38.006 34.079 14.728 1.00 0.00 O ATOM 475 CB ILE A 30 35.658 31.747 14.562 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.414 31.494 13.701 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.313 32.764 15.646 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.393 30.684 14.503 1.00 0.00 C ATOM 0 H ILE A 30 36.723 30.352 12.890 1.00 0.00 H new ATOM 0 HA ILE A 30 36.420 33.097 13.051 1.00 0.00 H new ATOM 0 HB ILE A 30 35.984 30.816 15.026 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.977 32.442 13.388 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.690 30.955 12.794 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.508 32.373 16.268 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.192 32.950 16.264 1.00 0.00 H new ATOM 0 HG23 ILE A 30 34.993 33.696 15.181 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.509 30.504 13.891 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.833 29.730 14.794 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.109 31.240 15.397 1.00 0.00 H new ATOM 490 N GLN A 31 38.758 31.992 15.083 1.00 0.00 N ATOM 491 CA GLN A 31 39.858 32.443 15.931 1.00 0.00 C ATOM 492 C GLN A 31 40.754 33.410 15.163 1.00 0.00 C ATOM 493 O GLN A 31 40.965 34.549 15.580 1.00 0.00 O ATOM 494 CB GLN A 31 40.685 31.244 16.407 1.00 0.00 C ATOM 495 CG GLN A 31 41.743 31.707 17.422 1.00 0.00 C ATOM 496 CD GLN A 31 42.941 32.310 16.696 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.146 33.523 16.735 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.746 31.530 16.030 1.00 0.00 N ATOM 0 H GLN A 31 38.705 30.982 14.949 1.00 0.00 H new ATOM 0 HA GLN A 31 39.439 32.955 16.797 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.033 30.499 16.863 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.170 30.765 15.556 1.00 0.00 H new ATOM 0 HG2 GLN A 31 41.310 32.444 18.099 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.065 30.864 18.033 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.573 30.525 16.000 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.548 31.925 15.539 1.00 0.00 H new ATOM 507 N ASP A 32 41.287 32.931 14.054 1.00 0.00 N ATOM 508 CA ASP A 32 42.178 33.740 13.232 1.00 0.00 C ATOM 509 C ASP A 32 41.546 35.091 12.877 1.00 0.00 C ATOM 510 O ASP A 32 42.246 36.102 12.799 1.00 0.00 O ATOM 511 CB ASP A 32 42.541 32.980 11.955 1.00 0.00 C ATOM 512 CG ASP A 32 43.382 31.753 12.301 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.801 31.650 13.442 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.594 30.936 11.420 1.00 0.00 O ATOM 0 H ASP A 32 41.121 31.989 13.700 1.00 0.00 H new ATOM 0 HA ASP A 32 43.082 33.936 13.809 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.634 32.675 11.433 1.00 0.00 H new ATOM 0 HB3 ASP A 32 43.094 33.632 11.278 1.00 0.00 H new ATOM 519 N LYS A 33 40.236 35.106 12.631 1.00 0.00 N ATOM 520 CA LYS A 33 39.555 36.346 12.250 1.00 0.00 C ATOM 521 C LYS A 33 39.298 37.287 13.435 1.00 0.00 C ATOM 522 O LYS A 33 39.434 38.502 13.295 1.00 0.00 O ATOM 523 CB LYS A 33 38.216 36.029 11.589 1.00 0.00 C ATOM 524 CG LYS A 33 38.430 35.163 10.346 1.00 0.00 C ATOM 525 CD LYS A 33 37.079 34.606 9.878 1.00 0.00 C ATOM 526 CE LYS A 33 37.205 34.077 8.448 1.00 0.00 C ATOM 527 NZ LYS A 33 37.287 35.222 7.497 1.00 0.00 N ATOM 0 H LYS A 33 39.631 34.287 12.687 1.00 0.00 H new ATOM 0 HA LYS A 33 40.225 36.856 11.558 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.568 35.510 12.295 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.711 36.955 11.313 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.888 35.753 9.552 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.115 34.346 10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.754 33.807 10.544 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.319 35.386 9.922 1.00 0.00 H new ATOM 0 HE2 LYS A 33 38.093 33.452 8.358 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.348 33.450 8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.034 34.898 6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 36.628 35.969 7.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 38.256 35.599 7.490 1.00 0.00 H new ATOM 541 N GLU A 34 38.879 36.742 14.585 1.00 0.00 N ATOM 542 CA GLU A 34 38.559 37.582 15.754 1.00 0.00 C ATOM 543 C GLU A 34 39.588 37.454 16.880 1.00 0.00 C ATOM 544 O GLU A 34 39.418 38.056 17.940 1.00 0.00 O ATOM 545 CB GLU A 34 37.182 37.192 16.302 1.00 0.00 C ATOM 546 CG GLU A 34 36.139 37.264 15.189 1.00 0.00 C ATOM 547 CD GLU A 34 34.747 37.038 15.770 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.550 37.364 16.930 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.899 36.539 15.049 1.00 0.00 O ATOM 0 H GLU A 34 38.754 35.741 14.733 1.00 0.00 H new ATOM 0 HA GLU A 34 38.570 38.617 15.412 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.217 36.184 16.714 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.903 37.860 17.117 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.185 38.236 14.698 1.00 0.00 H new ATOM 0 HG3 GLU A 34 36.352 36.512 14.429 1.00 0.00 H new ATOM 556 N GLY A 35 40.676 36.735 16.650 1.00 0.00 N ATOM 557 CA GLY A 35 41.713 36.607 17.672 1.00 0.00 C ATOM 558 C GLY A 35 41.179 36.040 18.992 1.00 0.00 C ATOM 559 O GLY A 35 41.825 36.180 20.031 1.00 0.00 O ATOM 0 H GLY A 35 40.866 36.237 15.780 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.507 35.960 17.299 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.158 37.585 17.856 1.00 0.00 H new ATOM 563 N ILE A 36 40.009 35.398 18.958 1.00 0.00 N ATOM 564 CA ILE A 36 39.426 34.818 20.164 1.00 0.00 C ATOM 565 C ILE A 36 39.785 33.324 20.276 1.00 0.00 C ATOM 566 O ILE A 36 39.312 32.523 19.471 1.00 0.00 O ATOM 567 CB ILE A 36 37.913 34.964 20.097 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.585 36.426 19.808 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.296 34.554 21.434 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.084 36.650 19.904 1.00 0.00 C ATOM 0 H ILE A 36 39.452 35.269 18.113 1.00 0.00 H new ATOM 0 HA ILE A 36 39.822 35.339 21.036 1.00 0.00 H new ATOM 0 HB ILE A 36 37.509 34.325 19.312 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.104 37.071 20.517 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.939 36.697 18.813 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.212 34.660 21.382 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.549 33.516 21.649 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.686 35.194 22.226 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.858 37.696 19.696 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.575 36.018 19.177 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.742 36.397 20.908 1.00 0.00 H new ATOM 582 N PRO A 37 40.584 32.920 21.246 1.00 0.00 N ATOM 583 CA PRO A 37 40.953 31.478 21.417 1.00 0.00 C ATOM 584 C PRO A 37 39.722 30.559 21.337 1.00 0.00 C ATOM 585 O PRO A 37 38.604 30.994 21.609 1.00 0.00 O ATOM 586 CB PRO A 37 41.583 31.435 22.815 1.00 0.00 C ATOM 587 CG PRO A 37 42.156 32.800 23.019 1.00 0.00 C ATOM 588 CD PRO A 37 41.229 33.766 22.272 1.00 0.00 C ATOM 0 HA PRO A 37 41.622 31.123 20.633 1.00 0.00 H new ATOM 0 HB2 PRO A 37 40.839 31.201 23.577 1.00 0.00 H new ATOM 0 HB3 PRO A 37 42.356 30.669 22.877 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.204 33.048 24.079 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.173 32.858 22.631 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.494 34.212 22.942 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.787 34.586 21.820 1.00 0.00 H new ATOM 596 N PRO A 38 39.902 29.309 20.972 1.00 0.00 N ATOM 597 CA PRO A 38 38.773 28.332 20.862 1.00 0.00 C ATOM 598 C PRO A 38 38.231 27.894 22.226 1.00 0.00 C ATOM 599 O PRO A 38 37.046 27.590 22.361 1.00 0.00 O ATOM 600 CB PRO A 38 39.397 27.152 20.106 1.00 0.00 C ATOM 601 CG PRO A 38 40.838 27.200 20.479 1.00 0.00 C ATOM 602 CD PRO A 38 41.190 28.682 20.624 1.00 0.00 C ATOM 0 HA PRO A 38 37.908 28.763 20.357 1.00 0.00 H new ATOM 0 HB2 PRO A 38 38.941 26.206 20.398 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.261 27.252 19.029 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.017 26.664 21.411 1.00 0.00 H new ATOM 0 HG3 PRO A 38 41.454 26.726 19.715 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.938 28.843 21.401 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.598 29.090 19.699 1.00 0.00 H new ATOM 610 N ASP A 39 39.102 27.855 23.229 1.00 0.00 N ATOM 611 CA ASP A 39 38.688 27.441 24.567 1.00 0.00 C ATOM 612 C ASP A 39 37.718 28.446 25.178 1.00 0.00 C ATOM 613 O ASP A 39 36.853 28.083 25.974 1.00 0.00 O ATOM 614 CB ASP A 39 39.910 27.300 25.476 1.00 0.00 C ATOM 615 CG ASP A 39 40.765 26.122 25.025 1.00 0.00 C ATOM 616 OD1 ASP A 39 40.268 25.313 24.258 1.00 0.00 O ATOM 617 OD2 ASP A 39 41.904 26.044 25.454 1.00 0.00 O ATOM 0 H ASP A 39 40.088 28.102 23.144 1.00 0.00 H new ATOM 0 HA ASP A 39 38.183 26.479 24.478 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.499 28.217 25.452 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.590 27.154 26.508 1.00 0.00 H new ATOM 622 N GLN A 40 37.880 29.712 24.816 1.00 0.00 N ATOM 623 CA GLN A 40 37.024 30.766 25.356 1.00 0.00 C ATOM 624 C GLN A 40 35.696 30.848 24.612 1.00 0.00 C ATOM 625 O GLN A 40 34.761 31.500 25.077 1.00 0.00 O ATOM 626 CB GLN A 40 37.734 32.119 25.256 1.00 0.00 C ATOM 627 CG GLN A 40 38.988 32.105 26.130 1.00 0.00 C ATOM 628 CD GLN A 40 39.538 33.521 26.282 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.536 34.327 25.255 1.00 0.00 O flip ATOM 630 NE2 GLN A 40 39.982 33.901 27.365 1.00 0.00 N flip ATOM 0 H GLN A 40 38.589 30.034 24.157 1.00 0.00 H new ATOM 0 HA GLN A 40 36.822 30.522 26.399 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.003 32.324 24.220 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.064 32.917 25.576 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.753 31.691 27.110 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.744 31.459 25.684 1.00 0.00 H new ATOM 0 HE21 GLN A 40 39.982 33.269 28.166 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.350 34.848 27.462 1.00 0.00 H new ATOM 639 N GLN A 41 35.611 30.200 23.449 1.00 0.00 N ATOM 640 CA GLN A 41 34.384 30.226 22.651 1.00 0.00 C ATOM 641 C GLN A 41 33.593 28.928 22.782 1.00 0.00 C ATOM 642 O GLN A 41 34.163 27.841 22.869 1.00 0.00 O ATOM 643 CB GLN A 41 34.734 30.454 21.180 1.00 0.00 C ATOM 644 CG GLN A 41 35.432 31.804 21.030 1.00 0.00 C ATOM 645 CD GLN A 41 35.815 32.034 19.572 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.430 33.127 18.971 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 36.484 31.197 18.966 1.00 0.00 N flip ATOM 0 H GLN A 41 36.371 29.655 23.041 1.00 0.00 H new ATOM 0 HA GLN A 41 33.763 31.040 23.025 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.382 29.655 20.821 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.830 30.429 20.571 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.774 32.603 21.372 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.323 31.834 21.658 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.783 30.344 19.439 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.739 31.356 17.991 1.00 0.00 H new ATOM 656 N ARG A 42 32.268 29.064 22.762 1.00 0.00 N ATOM 657 CA ARG A 42 31.358 27.925 22.843 1.00 0.00 C ATOM 658 C ARG A 42 30.403 28.014 21.662 1.00 0.00 C ATOM 659 O ARG A 42 29.736 29.034 21.479 1.00 0.00 O ATOM 660 CB ARG A 42 30.565 27.968 24.154 1.00 0.00 C ATOM 661 CG ARG A 42 31.528 27.965 25.349 1.00 0.00 C ATOM 662 CD ARG A 42 32.111 26.565 25.572 1.00 0.00 C ATOM 663 NE ARG A 42 31.051 25.565 25.574 1.00 0.00 N ATOM 664 CZ ARG A 42 31.318 24.279 25.386 1.00 0.00 C ATOM 665 NH1 ARG A 42 30.349 23.406 25.391 1.00 0.00 N ATOM 666 NH2 ARG A 42 32.548 23.889 25.193 1.00 0.00 N ATOM 0 H ARG A 42 31.797 29.966 22.689 1.00 0.00 H new ATOM 0 HA ARG A 42 31.920 26.991 22.818 1.00 0.00 H new ATOM 0 HB2 ARG A 42 29.940 28.861 24.182 1.00 0.00 H new ATOM 0 HB3 ARG A 42 29.896 27.109 24.213 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.335 28.677 25.174 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.003 28.293 26.246 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.833 26.336 24.788 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.649 26.535 26.520 1.00 0.00 H new ATOM 0 HE ARG A 42 30.086 25.859 25.723 1.00 0.00 H new ATOM 0 HH11 ARG A 42 29.387 23.712 25.539 1.00 0.00 H new ATOM 0 HH12 ARG A 42 30.553 22.417 25.247 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.305 24.573 25.187 1.00 0.00 H new ATOM 0 HH22 ARG A 42 32.753 22.900 25.049 1.00 0.00 H new ATOM 680 N LEU A 43 30.342 26.967 20.844 1.00 0.00 N ATOM 681 CA LEU A 43 29.468 26.982 19.671 1.00 0.00 C ATOM 682 C LEU A 43 28.116 26.353 19.971 1.00 0.00 C ATOM 683 O LEU A 43 28.029 25.184 20.365 1.00 0.00 O ATOM 684 CB LEU A 43 30.123 26.221 18.524 1.00 0.00 C ATOM 685 CG LEU A 43 31.528 26.756 18.244 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.040 26.101 16.965 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.492 28.277 18.056 1.00 0.00 C ATOM 0 H LEU A 43 30.878 26.108 20.967 1.00 0.00 H new ATOM 0 HA LEU A 43 29.312 28.024 19.393 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.176 25.160 18.770 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.510 26.310 17.627 1.00 0.00 H new ATOM 0 HG LEU A 43 32.183 26.526 19.084 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.042 26.468 16.745 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.070 25.019 17.097 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.374 26.347 16.138 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.499 28.643 17.858 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.844 28.524 17.215 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.107 28.747 18.961 1.00 0.00 H new ATOM 699 N ILE A 44 27.058 27.145 19.775 1.00 0.00 N ATOM 700 CA ILE A 44 25.687 26.680 20.026 1.00 0.00 C ATOM 701 C ILE A 44 24.859 26.648 18.738 1.00 0.00 C ATOM 702 O ILE A 44 24.721 27.662 18.044 1.00 0.00 O ATOM 703 CB ILE A 44 25.000 27.617 21.024 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.880 27.810 22.267 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.649 27.028 21.441 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.269 26.457 22.876 1.00 0.00 C ATOM 0 H ILE A 44 27.122 28.108 19.445 1.00 0.00 H new ATOM 0 HA ILE A 44 25.750 25.669 20.428 1.00 0.00 H new ATOM 0 HB ILE A 44 24.845 28.584 20.546 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.779 28.365 21.999 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.346 28.407 23.007 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.164 27.698 22.151 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.016 26.911 20.561 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.805 26.055 21.908 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.892 26.620 23.755 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.368 25.916 23.165 1.00 0.00 H new ATOM 0 HD13 ILE A 44 26.823 25.873 22.141 1.00 0.00 H new ATOM 718 N PHE A 45 24.297 25.474 18.438 1.00 0.00 N ATOM 719 CA PHE A 45 23.462 25.292 17.252 1.00 0.00 C ATOM 720 C PHE A 45 22.321 24.334 17.574 1.00 0.00 C ATOM 721 O PHE A 45 22.552 23.215 18.029 1.00 0.00 O ATOM 722 CB PHE A 45 24.294 24.718 16.107 1.00 0.00 C ATOM 723 CG PHE A 45 23.456 24.626 14.857 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.491 25.652 13.908 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.647 23.506 14.649 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.721 25.553 12.742 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.874 23.406 13.485 1.00 0.00 C ATOM 728 CZ PHE A 45 21.910 24.431 12.531 1.00 0.00 C ATOM 0 H PHE A 45 24.407 24.633 19.004 1.00 0.00 H new ATOM 0 HA PHE A 45 23.058 26.259 16.952 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.164 25.350 15.926 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.668 23.731 16.378 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.111 26.520 14.074 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.618 22.717 15.386 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.753 26.342 12.005 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.251 22.539 13.323 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.313 24.356 11.634 1.00 0.00 H new ATOM 738 N ALA A 46 21.093 24.782 17.346 1.00 0.00 N ATOM 739 CA ALA A 46 19.925 23.952 17.623 1.00 0.00 C ATOM 740 C ALA A 46 19.905 23.506 19.085 1.00 0.00 C ATOM 741 O ALA A 46 19.422 22.419 19.405 1.00 0.00 O ATOM 742 CB ALA A 46 19.929 22.725 16.709 1.00 0.00 C ATOM 0 H ALA A 46 20.879 25.707 16.973 1.00 0.00 H new ATOM 0 HA ALA A 46 19.031 24.546 17.432 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.054 22.110 16.921 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.902 23.047 15.668 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.833 22.143 16.886 1.00 0.00 H new ATOM 748 N GLY A 47 20.417 24.358 19.968 1.00 0.00 N ATOM 749 CA GLY A 47 20.438 24.053 21.398 1.00 0.00 C ATOM 750 C GLY A 47 21.386 22.898 21.730 1.00 0.00 C ATOM 751 O GLY A 47 21.288 22.304 22.803 1.00 0.00 O ATOM 0 H GLY A 47 20.822 25.261 19.722 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.742 24.941 21.952 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.431 23.800 21.728 1.00 0.00 H new ATOM 755 N LYS A 48 22.310 22.590 20.818 1.00 0.00 N ATOM 756 CA LYS A 48 23.280 21.508 21.042 1.00 0.00 C ATOM 757 C LYS A 48 24.707 22.027 20.887 1.00 0.00 C ATOM 758 O LYS A 48 25.032 22.656 19.879 1.00 0.00 O ATOM 759 CB LYS A 48 23.056 20.384 20.038 1.00 0.00 C ATOM 760 CG LYS A 48 21.616 19.880 20.131 1.00 0.00 C ATOM 761 CD LYS A 48 21.387 18.804 19.065 1.00 0.00 C ATOM 762 CE LYS A 48 19.955 18.276 19.174 1.00 0.00 C ATOM 763 NZ LYS A 48 18.999 19.355 18.798 1.00 0.00 N ATOM 0 H LYS A 48 22.410 23.068 19.923 1.00 0.00 H new ATOM 0 HA LYS A 48 23.138 21.133 22.055 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.261 20.741 19.029 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.750 19.566 20.234 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.425 19.472 21.123 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.919 20.706 19.986 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.559 19.218 18.072 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.098 17.988 19.197 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.823 17.414 18.520 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.757 17.938 20.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.069 18.938 18.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.909 20.029 19.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.351 19.852 17.955 1.00 0.00 H new ATOM 777 N GLN A 49 25.567 21.752 21.868 1.00 0.00 N ATOM 778 CA GLN A 49 26.951 22.189 21.785 1.00 0.00 C ATOM 779 C GLN A 49 27.717 21.306 20.813 1.00 0.00 C ATOM 780 O GLN A 49 27.625 20.079 20.872 1.00 0.00 O ATOM 781 CB GLN A 49 27.608 22.127 23.154 1.00 0.00 C ATOM 782 CG GLN A 49 27.017 23.210 24.055 1.00 0.00 C ATOM 783 CD GLN A 49 27.461 22.990 25.497 1.00 0.00 C ATOM 784 OE1 GLN A 49 28.182 21.944 25.797 1.00 0.00 O flip ATOM 785 NE2 GLN A 49 27.143 23.792 26.375 1.00 0.00 N flip ATOM 0 H GLN A 49 25.330 21.236 22.715 1.00 0.00 H new ATOM 0 HA GLN A 49 26.969 23.219 21.429 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.452 21.144 23.599 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.685 22.267 23.059 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.338 24.194 23.713 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.929 23.191 23.994 1.00 0.00 H new ATOM 0 HE21 GLN A 49 26.580 24.609 26.140 1.00 0.00 H new ATOM 0 HE22 GLN A 49 27.443 23.640 27.338 1.00 0.00 H new ATOM 794 N LEU A 50 28.457 21.928 19.908 1.00 0.00 N ATOM 795 CA LEU A 50 29.210 21.170 18.918 1.00 0.00 C ATOM 796 C LEU A 50 30.391 20.454 19.567 1.00 0.00 C ATOM 797 O LEU A 50 31.136 21.041 20.353 1.00 0.00 O ATOM 798 CB LEU A 50 29.695 22.104 17.812 1.00 0.00 C ATOM 799 CG LEU A 50 28.517 22.490 16.903 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.461 23.259 17.704 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.023 23.373 15.761 1.00 0.00 C ATOM 0 H LEU A 50 28.553 22.941 19.837 1.00 0.00 H new ATOM 0 HA LEU A 50 28.555 20.414 18.484 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.139 22.999 18.248 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.474 21.615 17.226 1.00 0.00 H new ATOM 0 HG LEU A 50 28.069 21.582 16.500 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.632 23.527 17.049 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.094 22.633 18.517 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.905 24.165 18.116 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.188 23.647 15.116 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.476 24.275 16.172 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.766 22.826 15.180 1.00 0.00 H new ATOM 813 N GLU A 51 30.545 19.176 19.226 1.00 0.00 N ATOM 814 CA GLU A 51 31.621 18.358 19.762 1.00 0.00 C ATOM 815 C GLU A 51 32.965 18.705 19.113 1.00 0.00 C ATOM 816 O GLU A 51 33.061 18.854 17.895 1.00 0.00 O ATOM 817 CB GLU A 51 31.295 16.873 19.548 1.00 0.00 C ATOM 818 CG GLU A 51 31.952 16.034 20.639 1.00 0.00 C ATOM 819 CD GLU A 51 31.939 14.563 20.244 1.00 0.00 C ATOM 820 OE1 GLU A 51 32.645 14.215 19.311 1.00 0.00 O ATOM 821 OE2 GLU A 51 31.218 13.806 20.874 1.00 0.00 O ATOM 0 H GLU A 51 29.931 18.686 18.576 1.00 0.00 H new ATOM 0 HA GLU A 51 31.707 18.562 20.829 1.00 0.00 H new ATOM 0 HB2 GLU A 51 30.215 16.723 19.563 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.648 16.552 18.568 1.00 0.00 H new ATOM 0 HG2 GLU A 51 32.978 16.367 20.798 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.423 16.170 21.582 1.00 0.00 H new ATOM 828 N ASP A 52 33.992 18.834 19.944 1.00 0.00 N ATOM 829 CA ASP A 52 35.323 19.172 19.470 1.00 0.00 C ATOM 830 C ASP A 52 35.916 18.099 18.545 1.00 0.00 C ATOM 831 O ASP A 52 37.138 17.971 18.466 1.00 0.00 O ATOM 832 CB ASP A 52 36.260 19.360 20.668 1.00 0.00 C ATOM 833 CG ASP A 52 35.884 20.625 21.432 1.00 0.00 C ATOM 834 OD1 ASP A 52 34.943 21.283 21.022 1.00 0.00 O ATOM 835 OD2 ASP A 52 36.547 20.917 22.414 1.00 0.00 O ATOM 0 H ASP A 52 33.925 18.708 20.954 1.00 0.00 H new ATOM 0 HA ASP A 52 35.230 20.093 18.894 1.00 0.00 H new ATOM 0 HB2 ASP A 52 36.198 18.495 21.328 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.293 19.426 20.325 1.00 0.00 H new ATOM 840 N GLY A 53 35.079 17.326 17.844 1.00 0.00 N ATOM 841 CA GLY A 53 35.624 16.294 16.957 1.00 0.00 C ATOM 842 C GLY A 53 34.615 15.767 15.935 1.00 0.00 C ATOM 843 O GLY A 53 34.840 14.711 15.341 1.00 0.00 O ATOM 0 H GLY A 53 34.061 17.390 17.870 1.00 0.00 H new ATOM 0 HA2 GLY A 53 36.486 16.700 16.428 1.00 0.00 H new ATOM 0 HA3 GLY A 53 35.985 15.461 17.561 1.00 0.00 H new ATOM 847 N ARG A 54 33.510 16.488 15.709 1.00 0.00 N ATOM 848 CA ARG A 54 32.505 16.038 14.728 1.00 0.00 C ATOM 849 C ARG A 54 32.602 16.840 13.429 1.00 0.00 C ATOM 850 O ARG A 54 33.329 17.835 13.345 1.00 0.00 O ATOM 851 CB ARG A 54 31.085 16.170 15.319 1.00 0.00 C ATOM 852 CG ARG A 54 30.172 15.031 14.815 1.00 0.00 C ATOM 853 CD ARG A 54 30.347 13.786 15.693 1.00 0.00 C ATOM 854 NE ARG A 54 29.577 12.675 15.142 1.00 0.00 N ATOM 855 CZ ARG A 54 29.669 11.452 15.653 1.00 0.00 C ATOM 856 NH1 ARG A 54 28.965 10.478 15.144 1.00 0.00 N ATOM 857 NH2 ARG A 54 30.467 11.223 16.660 1.00 0.00 N ATOM 0 H ARG A 54 33.288 17.366 16.178 1.00 0.00 H new ATOM 0 HA ARG A 54 32.705 14.991 14.500 1.00 0.00 H new ATOM 0 HB2 ARG A 54 31.136 16.146 16.408 1.00 0.00 H new ATOM 0 HB3 ARG A 54 30.659 17.134 15.041 1.00 0.00 H new ATOM 0 HG2 ARG A 54 29.131 15.354 14.833 1.00 0.00 H new ATOM 0 HG3 ARG A 54 30.414 14.792 13.779 1.00 0.00 H new ATOM 0 HD2 ARG A 54 31.401 13.516 15.749 1.00 0.00 H new ATOM 0 HD3 ARG A 54 30.018 13.999 16.710 1.00 0.00 H new ATOM 0 HE ARG A 54 28.957 12.841 14.350 1.00 0.00 H new ATOM 0 HH11 ARG A 54 28.345 10.656 14.354 1.00 0.00 H new ATOM 0 HH12 ARG A 54 29.035 9.539 15.536 1.00 0.00 H new ATOM 0 HH21 ARG A 54 31.020 11.983 17.055 1.00 0.00 H new ATOM 0 HH22 ARG A 54 30.537 10.284 17.052 1.00 0.00 H new ATOM 871 N THR A 55 31.852 16.388 12.422 1.00 0.00 N ATOM 872 CA THR A 55 31.820 17.046 11.115 1.00 0.00 C ATOM 873 C THR A 55 30.501 17.793 10.932 1.00 0.00 C ATOM 874 O THR A 55 29.452 17.383 11.452 1.00 0.00 O ATOM 875 CB THR A 55 31.975 16.004 10.002 1.00 0.00 C ATOM 876 OG1 THR A 55 30.924 15.053 10.094 1.00 0.00 O ATOM 877 CG2 THR A 55 33.324 15.294 10.150 1.00 0.00 C ATOM 0 H THR A 55 31.255 15.563 12.488 1.00 0.00 H new ATOM 0 HA THR A 55 32.644 17.758 11.063 1.00 0.00 H new ATOM 0 HB THR A 55 31.932 16.499 9.032 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.426 15.034 9.250 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.434 14.553 9.358 1.00 0.00 H new ATOM 0 HG22 THR A 55 34.130 16.025 10.078 1.00 0.00 H new ATOM 0 HG23 THR A 55 33.370 14.798 11.120 1.00 0.00 H new ATOM 885 N LEU A 56 30.533 18.875 10.160 1.00 0.00 N ATOM 886 CA LEU A 56 29.318 19.621 9.913 1.00 0.00 C ATOM 887 C LEU A 56 28.276 18.700 9.293 1.00 0.00 C ATOM 888 O LEU A 56 27.095 18.802 9.610 1.00 0.00 O ATOM 889 CB LEU A 56 29.602 20.807 8.994 1.00 0.00 C ATOM 890 CG LEU A 56 30.291 21.935 9.783 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.730 21.526 10.137 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.315 23.196 8.920 1.00 0.00 C ATOM 0 H LEU A 56 31.369 19.243 9.707 1.00 0.00 H new ATOM 0 HA LEU A 56 28.934 20.008 10.857 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.237 20.492 8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.671 21.172 8.560 1.00 0.00 H new ATOM 0 HG LEU A 56 29.742 22.124 10.705 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.210 22.330 10.695 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.712 20.622 10.746 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.290 21.336 9.221 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.801 24.003 9.468 1.00 0.00 H new ATOM 0 HD22 LEU A 56 30.867 22.998 8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.294 23.488 8.674 1.00 0.00 H new ATOM 904 N SER A 57 28.705 17.807 8.394 1.00 0.00 N ATOM 905 CA SER A 57 27.777 16.889 7.732 1.00 0.00 C ATOM 906 C SER A 57 26.812 16.259 8.731 1.00 0.00 C ATOM 907 O SER A 57 25.615 16.108 8.449 1.00 0.00 O ATOM 908 CB SER A 57 28.567 15.789 7.019 1.00 0.00 C ATOM 909 OG SER A 57 29.340 15.071 7.973 1.00 0.00 O ATOM 0 H SER A 57 29.679 17.702 8.111 1.00 0.00 H new ATOM 0 HA SER A 57 27.193 17.458 7.008 1.00 0.00 H new ATOM 0 HB2 SER A 57 27.886 15.113 6.503 1.00 0.00 H new ATOM 0 HB3 SER A 57 29.218 16.226 6.261 1.00 0.00 H new ATOM 0 HG SER A 57 29.846 14.365 7.519 1.00 0.00 H new ATOM 915 N ASP A 58 27.323 15.917 9.909 1.00 0.00 N ATOM 916 CA ASP A 58 26.476 15.335 10.936 1.00 0.00 C ATOM 917 C ASP A 58 25.398 16.344 11.287 1.00 0.00 C ATOM 918 O ASP A 58 24.245 15.993 11.556 1.00 0.00 O ATOM 919 CB ASP A 58 27.301 14.995 12.182 1.00 0.00 C ATOM 920 CG ASP A 58 26.456 14.192 13.168 1.00 0.00 C ATOM 921 OD1 ASP A 58 26.153 13.050 12.865 1.00 0.00 O ATOM 922 OD2 ASP A 58 26.125 14.732 14.211 1.00 0.00 O ATOM 0 H ASP A 58 28.302 16.031 10.171 1.00 0.00 H new ATOM 0 HA ASP A 58 26.027 14.413 10.567 1.00 0.00 H new ATOM 0 HB2 ASP A 58 28.184 14.423 11.898 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.654 15.911 12.655 1.00 0.00 H new ATOM 927 N TYR A 59 25.794 17.612 11.259 1.00 0.00 N ATOM 928 CA TYR A 59 24.877 18.709 11.556 1.00 0.00 C ATOM 929 C TYR A 59 24.113 19.159 10.303 1.00 0.00 C ATOM 930 O TYR A 59 23.214 19.996 10.391 1.00 0.00 O ATOM 931 CB TYR A 59 25.673 19.886 12.121 1.00 0.00 C ATOM 932 CG TYR A 59 26.102 19.579 13.543 1.00 0.00 C ATOM 933 CD1 TYR A 59 27.458 19.414 13.850 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.138 19.458 14.555 1.00 0.00 C ATOM 935 CE1 TYR A 59 27.851 19.130 15.163 1.00 0.00 C ATOM 936 CE2 TYR A 59 25.532 19.175 15.868 1.00 0.00 C ATOM 937 CZ TYR A 59 26.889 19.011 16.171 1.00 0.00 C ATOM 938 OH TYR A 59 27.278 18.731 17.466 1.00 0.00 O ATOM 0 H TYR A 59 26.744 17.907 11.034 1.00 0.00 H new ATOM 0 HA TYR A 59 24.147 18.359 12.286 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.548 20.077 11.500 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.065 20.791 12.102 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.202 19.506 13.072 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.091 19.583 14.321 1.00 0.00 H new ATOM 0 HE1 TYR A 59 28.897 19.003 15.398 1.00 0.00 H new ATOM 0 HE2 TYR A 59 24.790 19.083 16.647 1.00 0.00 H new ATOM 0 HH TYR A 59 26.487 18.683 18.042 1.00 0.00 H new ATOM 948 N ASN A 60 24.468 18.608 9.138 1.00 0.00 N ATOM 949 CA ASN A 60 23.790 18.980 7.892 1.00 0.00 C ATOM 950 C ASN A 60 22.442 18.281 7.789 1.00 0.00 C ATOM 951 O ASN A 60 21.470 18.865 7.323 1.00 0.00 O ATOM 952 CB ASN A 60 24.649 18.621 6.678 1.00 0.00 C ATOM 953 CG ASN A 60 23.918 19.006 5.393 1.00 0.00 C ATOM 954 OD1 ASN A 60 24.080 20.121 4.896 1.00 0.00 O ATOM 955 ND2 ASN A 60 23.115 18.148 4.825 1.00 0.00 N ATOM 0 H ASN A 60 25.208 17.914 9.031 1.00 0.00 H new ATOM 0 HA ASN A 60 23.633 20.059 7.905 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.606 19.140 6.732 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.866 17.553 6.678 1.00 0.00 H new ATOM 0 HD21 ASN A 60 22.621 18.401 3.969 1.00 0.00 H new ATOM 0 HD22 ASN A 60 22.981 17.225 5.237 1.00 0.00 H new ATOM 962 N ILE A 61 22.392 17.032 8.232 1.00 0.00 N ATOM 963 CA ILE A 61 21.136 16.283 8.189 1.00 0.00 C ATOM 964 C ILE A 61 20.124 16.947 9.117 1.00 0.00 C ATOM 965 O ILE A 61 18.996 17.243 8.725 1.00 0.00 O ATOM 966 CB ILE A 61 21.373 14.831 8.614 1.00 0.00 C ATOM 967 CG1 ILE A 61 22.334 14.169 7.626 1.00 0.00 C ATOM 968 CG2 ILE A 61 20.042 14.073 8.621 1.00 0.00 C ATOM 969 CD1 ILE A 61 22.855 12.859 8.220 1.00 0.00 C ATOM 0 H ILE A 61 23.186 16.522 8.618 1.00 0.00 H new ATOM 0 HA ILE A 61 20.747 16.284 7.171 1.00 0.00 H new ATOM 0 HB ILE A 61 21.803 14.809 9.615 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.825 13.975 6.682 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.166 14.838 7.408 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.213 13.040 8.924 1.00 0.00 H new ATOM 0 HG22 ILE A 61 19.356 14.548 9.323 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.608 14.091 7.621 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.540 12.387 7.516 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.379 13.066 9.153 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.017 12.189 8.415 1.00 0.00 H new ATOM 981 N GLN A 62 20.553 17.169 10.355 1.00 0.00 N ATOM 982 CA GLN A 62 19.701 17.794 11.356 1.00 0.00 C ATOM 983 C GLN A 62 19.483 19.270 11.015 1.00 0.00 C ATOM 984 O GLN A 62 19.621 20.138 11.876 1.00 0.00 O ATOM 985 CB GLN A 62 20.365 17.680 12.734 1.00 0.00 C ATOM 986 CG GLN A 62 20.497 16.204 13.124 1.00 0.00 C ATOM 987 CD GLN A 62 21.414 16.065 14.336 1.00 0.00 C ATOM 988 OE1 GLN A 62 22.619 15.858 14.184 1.00 0.00 O ATOM 989 NE2 GLN A 62 20.914 16.167 15.538 1.00 0.00 N ATOM 0 H GLN A 62 21.486 16.925 10.688 1.00 0.00 H new ATOM 0 HA GLN A 62 18.736 17.287 11.369 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.348 18.150 12.714 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.772 18.211 13.479 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.515 15.790 13.351 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.898 15.632 12.287 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.916 16.338 15.662 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.521 16.075 16.352 1.00 0.00 H new ATOM 998 N LYS A 63 19.145 19.556 9.751 1.00 0.00 N ATOM 999 CA LYS A 63 18.911 20.936 9.318 1.00 0.00 C ATOM 1000 C LYS A 63 17.566 21.463 9.820 1.00 0.00 C ATOM 1001 O LYS A 63 16.695 21.819 9.025 1.00 0.00 O ATOM 1002 CB LYS A 63 18.963 21.026 7.782 1.00 0.00 C ATOM 1003 CG LYS A 63 19.043 22.496 7.348 1.00 0.00 C ATOM 1004 CD LYS A 63 19.359 22.585 5.850 1.00 0.00 C ATOM 1005 CE LYS A 63 19.298 24.049 5.403 1.00 0.00 C ATOM 1006 NZ LYS A 63 20.337 24.835 6.128 1.00 0.00 N ATOM 0 H LYS A 63 19.029 18.856 9.018 1.00 0.00 H new ATOM 0 HA LYS A 63 19.699 21.555 9.747 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.828 20.479 7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.078 20.558 7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.099 22.998 7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.813 23.012 7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.348 22.173 5.651 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.645 21.989 5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.459 24.119 4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.309 24.461 5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.352 25.809 5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.116 24.849 7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.269 24.396 5.982 1.00 0.00 H new ATOM 1020 N GLU A 64 17.402 21.516 11.137 1.00 0.00 N ATOM 1021 CA GLU A 64 16.156 22.011 11.719 1.00 0.00 C ATOM 1022 C GLU A 64 15.864 23.419 11.200 1.00 0.00 C ATOM 1023 O GLU A 64 14.729 23.747 10.856 1.00 0.00 O ATOM 1024 CB GLU A 64 16.275 22.051 13.248 1.00 0.00 C ATOM 1025 CG GLU A 64 16.406 20.628 13.796 1.00 0.00 C ATOM 1026 CD GLU A 64 16.405 20.653 15.322 1.00 0.00 C ATOM 1027 OE1 GLU A 64 16.896 21.622 15.878 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.917 19.704 15.911 1.00 0.00 O ATOM 0 H GLU A 64 18.106 21.227 11.816 1.00 0.00 H new ATOM 0 HA GLU A 64 15.344 21.342 11.434 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.142 22.644 13.539 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.399 22.537 13.677 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.582 20.013 13.434 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.327 20.173 13.432 1.00 0.00 H new HETATM 1035 N SEP A 65 16.908 24.240 11.139 1.00 0.00 N HETATM 1036 CA SEP A 65 16.803 25.616 10.649 1.00 0.00 C HETATM 1037 CB SEP A 65 16.996 26.601 11.795 1.00 0.00 C HETATM 1038 OG SEP A 65 16.775 27.924 11.322 1.00 0.00 O HETATM 1039 C SEP A 65 17.860 25.857 9.576 1.00 0.00 C HETATM 1040 O SEP A 65 18.217 24.941 8.836 1.00 0.00 O HETATM 1041 P SEP A 65 16.971 29.115 12.271 1.00 0.00 P HETATM 1042 O1P SEP A 65 16.809 30.391 11.376 1.00 0.00 O HETATM 1043 O2P SEP A 65 18.416 28.943 12.852 1.00 0.00 O HETATM 1044 O3P SEP A 65 15.846 28.970 13.352 1.00 0.00 O HETATM 0 HB3 SEP A 65 16.305 26.373 12.606 1.00 0.00 H new HETATM 0 HB2 SEP A 65 18.004 26.511 12.201 1.00 0.00 H new HETATM 0 HA SEP A 65 15.811 25.766 10.222 1.00 0.00 H new ATOM 1049 N THR A 66 18.379 27.085 9.506 1.00 0.00 N ATOM 1050 CA THR A 66 19.419 27.411 8.533 1.00 0.00 C ATOM 1051 C THR A 66 20.781 27.248 9.192 1.00 0.00 C ATOM 1052 O THR A 66 20.861 26.920 10.378 1.00 0.00 O ATOM 1053 CB THR A 66 19.237 28.856 8.038 1.00 0.00 C ATOM 1054 OG1 THR A 66 18.701 29.650 9.090 1.00 0.00 O ATOM 1055 CG2 THR A 66 18.278 28.866 6.850 1.00 0.00 C ATOM 0 H THR A 66 18.099 27.861 10.105 1.00 0.00 H new ATOM 0 HA THR A 66 19.348 26.740 7.677 1.00 0.00 H new ATOM 0 HB THR A 66 20.200 29.263 7.730 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.278 30.450 8.713 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.147 29.889 6.497 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.688 28.254 6.046 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.314 28.462 7.158 1.00 0.00 H new ATOM 1063 N LEU A 67 21.865 27.452 8.437 1.00 0.00 N ATOM 1064 CA LEU A 67 23.204 27.286 8.988 1.00 0.00 C ATOM 1065 C LEU A 67 23.611 28.504 9.814 1.00 0.00 C ATOM 1066 O LEU A 67 24.736 29.009 9.702 1.00 0.00 O ATOM 1067 CB LEU A 67 24.198 27.093 7.834 1.00 0.00 C ATOM 1068 CG LEU A 67 23.635 26.076 6.823 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.610 25.910 5.651 1.00 0.00 C ATOM 1070 CD2 LEU A 67 23.437 24.722 7.511 1.00 0.00 C ATOM 0 H LEU A 67 21.838 27.729 7.456 1.00 0.00 H new ATOM 0 HA LEU A 67 23.209 26.414 9.642 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.384 28.046 7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.155 26.743 8.221 1.00 0.00 H new ATOM 0 HG LEU A 67 22.678 26.440 6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.205 25.189 4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.749 26.870 5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.570 25.552 6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.039 24.004 6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.394 24.363 7.890 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.737 24.834 8.339 1.00 0.00 H new ATOM 1082 N HIS A 68 22.685 28.948 10.651 1.00 0.00 N ATOM 1083 CA HIS A 68 22.938 30.085 11.526 1.00 0.00 C ATOM 1084 C HIS A 68 23.582 29.587 12.811 1.00 0.00 C ATOM 1085 O HIS A 68 23.013 28.758 13.521 1.00 0.00 O ATOM 1086 CB HIS A 68 21.626 30.799 11.853 1.00 0.00 C ATOM 1087 CG HIS A 68 21.075 31.419 10.601 1.00 0.00 C ATOM 1088 ND1 HIS A 68 21.830 31.539 9.444 1.00 0.00 N ATOM 1089 CD2 HIS A 68 19.849 31.961 10.308 1.00 0.00 C ATOM 1090 CE1 HIS A 68 21.057 32.132 8.517 1.00 0.00 C ATOM 1091 NE2 HIS A 68 19.840 32.410 8.991 1.00 0.00 N ATOM 0 H HIS A 68 21.754 28.541 10.743 1.00 0.00 H new ATOM 0 HA HIS A 68 23.604 30.787 11.024 1.00 0.00 H new ATOM 0 HB2 HIS A 68 20.908 30.093 12.270 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.794 31.566 12.609 1.00 0.00 H new ATOM 0 HD2 HIS A 68 19.018 32.029 10.995 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.381 32.356 7.511 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.069 32.856 8.494 1.00 0.00 H new ATOM 1100 N LEU A 69 24.780 30.082 13.093 1.00 0.00 N ATOM 1101 CA LEU A 69 25.523 29.676 14.282 1.00 0.00 C ATOM 1102 C LEU A 69 25.621 30.831 15.270 1.00 0.00 C ATOM 1103 O LEU A 69 25.910 31.963 14.882 1.00 0.00 O ATOM 1104 CB LEU A 69 26.927 29.227 13.850 1.00 0.00 C ATOM 1105 CG LEU A 69 27.807 28.929 15.070 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.113 27.911 15.984 1.00 0.00 C ATOM 1107 CD2 LEU A 69 29.144 28.353 14.588 1.00 0.00 C ATOM 0 H LEU A 69 25.261 30.769 12.512 1.00 0.00 H new ATOM 0 HA LEU A 69 25.005 28.854 14.776 1.00 0.00 H new ATOM 0 HB2 LEU A 69 26.852 28.337 13.225 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.391 30.005 13.243 1.00 0.00 H new ATOM 0 HG LEU A 69 27.975 29.849 15.630 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.746 27.706 16.847 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.159 28.316 16.322 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.940 26.986 15.433 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.778 28.137 15.448 1.00 0.00 H new ATOM 0 HD22 LEU A 69 28.964 27.434 14.030 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.641 29.078 13.943 1.00 0.00 H new ATOM 1119 N VAL A 70 25.402 30.533 16.550 1.00 0.00 N ATOM 1120 CA VAL A 70 25.496 31.547 17.592 1.00 0.00 C ATOM 1121 C VAL A 70 26.795 31.374 18.363 1.00 0.00 C ATOM 1122 O VAL A 70 27.087 30.289 18.883 1.00 0.00 O ATOM 1123 CB VAL A 70 24.298 31.441 18.538 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.493 32.374 19.738 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.028 31.844 17.787 1.00 0.00 C ATOM 0 H VAL A 70 25.159 29.601 16.887 1.00 0.00 H new ATOM 0 HA VAL A 70 25.488 32.535 17.131 1.00 0.00 H new ATOM 0 HB VAL A 70 24.211 30.414 18.894 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.635 32.292 20.406 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.399 32.092 20.274 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.583 33.402 19.388 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.171 31.770 18.456 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.125 32.870 17.433 1.00 0.00 H new ATOM 0 HG23 VAL A 70 22.882 31.179 16.936 1.00 0.00 H new ATOM 1135 N LEU A 71 27.577 32.450 18.436 1.00 0.00 N ATOM 1136 CA LEU A 71 28.850 32.415 19.149 1.00 0.00 C ATOM 1137 C LEU A 71 28.667 32.839 20.601 1.00 0.00 C ATOM 1138 O LEU A 71 28.305 33.981 20.886 1.00 0.00 O ATOM 1139 CB LEU A 71 29.868 33.336 18.466 1.00 0.00 C ATOM 1140 CG LEU A 71 31.258 33.148 19.102 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.797 31.735 18.810 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.220 34.193 18.527 1.00 0.00 C ATOM 0 H LEU A 71 27.352 33.350 18.013 1.00 0.00 H new ATOM 0 HA LEU A 71 29.222 31.391 19.127 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.914 33.114 17.400 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.553 34.375 18.562 1.00 0.00 H new ATOM 0 HG LEU A 71 31.175 33.273 20.182 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.780 31.619 19.267 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.115 30.993 19.224 1.00 0.00 H new ATOM 0 HD13 LEU A 71 31.878 31.592 17.732 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.206 34.065 18.974 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.292 34.066 17.447 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.848 35.193 18.751 1.00 0.00 H new ATOM 1154 N ARG A 72 28.947 31.913 21.514 1.00 0.00 N ATOM 1155 CA ARG A 72 28.847 32.178 22.949 1.00 0.00 C ATOM 1156 C ARG A 72 30.249 32.358 23.533 1.00 0.00 C ATOM 1157 O ARG A 72 31.186 31.670 23.130 1.00 0.00 O ATOM 1158 CB ARG A 72 28.131 30.993 23.638 1.00 0.00 C ATOM 1159 CG ARG A 72 26.635 31.302 23.834 1.00 0.00 C ATOM 1160 CD ARG A 72 26.434 32.110 25.119 1.00 0.00 C ATOM 1161 NE ARG A 72 26.681 31.269 26.285 1.00 0.00 N ATOM 1162 CZ ARG A 72 26.325 31.661 27.503 1.00 0.00 C ATOM 1163 NH1 ARG A 72 26.554 30.891 28.531 1.00 0.00 N ATOM 1164 NH2 ARG A 72 25.745 32.818 27.670 1.00 0.00 N ATOM 0 H ARG A 72 29.247 30.966 21.285 1.00 0.00 H new ATOM 0 HA ARG A 72 28.274 33.089 23.118 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.246 30.092 23.035 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.596 30.792 24.603 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.255 31.861 22.979 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.067 30.373 23.885 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.109 32.966 25.129 1.00 0.00 H new ATOM 0 HD3 ARG A 72 25.419 32.505 25.154 1.00 0.00 H new ATOM 0 HE ARG A 72 27.135 30.364 26.163 1.00 0.00 H new ATOM 0 HH11 ARG A 72 27.007 29.987 28.400 1.00 0.00 H new ATOM 0 HH12 ARG A 72 26.280 31.193 29.466 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.566 33.419 26.866 1.00 0.00 H new ATOM 0 HH22 ARG A 72 25.471 33.121 28.605 1.00 0.00 H new ATOM 1178 N LEU A 73 30.383 33.270 24.495 1.00 0.00 N ATOM 1179 CA LEU A 73 31.677 33.518 25.141 1.00 0.00 C ATOM 1180 C LEU A 73 31.570 33.301 26.647 1.00 0.00 C ATOM 1181 O LEU A 73 30.615 33.749 27.281 1.00 0.00 O ATOM 1182 CB LEU A 73 32.144 34.949 24.856 1.00 0.00 C ATOM 1183 CG LEU A 73 33.639 35.096 25.212 1.00 0.00 C ATOM 1184 CD1 LEU A 73 34.516 34.637 24.037 1.00 0.00 C ATOM 1185 CD2 LEU A 73 33.954 36.563 25.521 1.00 0.00 C ATOM 0 H LEU A 73 29.618 33.848 24.845 1.00 0.00 H new ATOM 0 HA LEU A 73 32.406 32.817 24.734 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.987 35.189 23.805 1.00 0.00 H new ATOM 0 HB3 LEU A 73 31.552 35.656 25.437 1.00 0.00 H new ATOM 0 HG LEU A 73 33.850 34.477 26.084 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.567 34.747 24.303 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.306 33.591 23.813 1.00 0.00 H new ATOM 0 HD13 LEU A 73 34.298 35.247 23.160 1.00 0.00 H new ATOM 0 HD21 LEU A 73 35.010 36.663 25.772 1.00 0.00 H new ATOM 0 HD22 LEU A 73 33.729 37.175 24.648 1.00 0.00 H new ATOM 0 HD23 LEU A 73 33.348 36.896 26.364 1.00 0.00 H new ATOM 1197 N ARG A 74 32.556 32.608 27.216 1.00 0.00 N ATOM 1198 CA ARG A 74 32.559 32.337 28.650 1.00 0.00 C ATOM 1199 C ARG A 74 32.491 33.639 29.440 1.00 0.00 C ATOM 1200 O ARG A 74 31.766 33.737 30.431 1.00 0.00 O ATOM 1201 CB ARG A 74 33.829 31.569 29.032 1.00 0.00 C ATOM 1202 CG ARG A 74 33.770 31.180 30.510 1.00 0.00 C ATOM 1203 CD ARG A 74 35.007 30.355 30.873 1.00 0.00 C ATOM 1204 NE ARG A 74 36.218 31.142 30.663 1.00 0.00 N ATOM 1205 CZ ARG A 74 36.629 32.028 31.565 1.00 0.00 C ATOM 1206 NH1 ARG A 74 37.721 32.712 31.356 1.00 0.00 N ATOM 1207 NH2 ARG A 74 35.940 32.216 32.656 1.00 0.00 N ATOM 0 H ARG A 74 33.356 32.228 26.710 1.00 0.00 H new ATOM 0 HA ARG A 74 31.684 31.734 28.891 1.00 0.00 H new ATOM 0 HB2 ARG A 74 33.925 30.676 28.414 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.709 32.184 28.843 1.00 0.00 H new ATOM 0 HG2 ARG A 74 33.722 32.075 31.130 1.00 0.00 H new ATOM 0 HG3 ARG A 74 32.866 30.605 30.709 1.00 0.00 H new ATOM 0 HD2 ARG A 74 34.948 30.036 31.914 1.00 0.00 H new ATOM 0 HD3 ARG A 74 35.042 29.451 30.264 1.00 0.00 H new ATOM 0 HE ARG A 74 36.759 31.010 29.808 1.00 0.00 H new ATOM 0 HH11 ARG A 74 38.258 32.567 30.501 1.00 0.00 H new ATOM 0 HH12 ARG A 74 38.037 33.392 32.047 1.00 0.00 H new ATOM 0 HH21 ARG A 74 35.085 31.683 32.818 1.00 0.00 H new ATOM 0 HH22 ARG A 74 36.256 32.896 33.348 1.00 0.00 H new ATOM 1221 N GLY A 75 33.247 34.637 28.995 1.00 0.00 N ATOM 1222 CA GLY A 75 33.261 35.931 29.669 1.00 0.00 C ATOM 1223 C GLY A 75 34.524 36.713 29.323 1.00 0.00 C ATOM 1224 O GLY A 75 35.281 36.326 28.433 1.00 0.00 O ATOM 0 H GLY A 75 33.854 34.577 28.177 1.00 0.00 H new ATOM 0 HA2 GLY A 75 32.382 36.506 29.379 1.00 0.00 H new ATOM 0 HA3 GLY A 75 33.204 35.784 30.748 1.00 0.00 H new ATOM 1228 N GLY A 76 34.744 37.813 30.034 1.00 0.00 N ATOM 1229 CA GLY A 76 35.919 38.642 29.797 1.00 0.00 C ATOM 1230 C GLY A 76 37.199 37.838 29.995 1.00 0.00 C ATOM 1231 O GLY A 76 37.729 37.870 31.094 1.00 0.00 O ATOM 1232 OXT GLY A 76 37.628 37.202 29.048 1.00 0.00 O ATOM 0 H GLY A 76 34.129 38.150 30.774 1.00 0.00 H new ATOM 0 HA2 GLY A 76 35.889 39.042 28.783 1.00 0.00 H new ATOM 0 HA3 GLY A 76 35.911 39.494 30.476 1.00 0.00 H new TER 1236 GLY A 76