USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=20 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 25 ASN :FLIP amide:sc= -0.116 F(o=-5.3,f=-4.1) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -133:sc= -3.98! (180deg=-4.91!) USER MOD Set 2.1: A 7 THR OG1 : rot -160:sc= 0.733 USER MOD Set 2.2: A 9 THR OG1 : rot -10:sc= -0.728 USER MOD Single : A 1 MET CE :methyl -155:sc= 0 (180deg=-0.337) USER MOD Single : A 1 MET N :NH3+ 143:sc= 1.24 (180deg=0.306) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00134) 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 -86:sc= 1.28 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.602 USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= -4.27! (180deg=-7.96!) USER MOD Single : A 31 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.89) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= -0.0258 (180deg=-0.334) USER MOD Single : A 40 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.8) USER MOD Single : A 41 GLN : amide:sc= -2.58 X(o=-2.6,f=-3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0534 F(o=-0.73,f=-0.053) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00269 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.316 USER MOD Single : A 60 ASN : amide:sc= -0.0689 X(o=-0.069,f=-0.069) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= -0.0343 (180deg=-0.459) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.00706 X(o=0.0071,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.700 31.411 2.550 1.00 0.00 N ATOM 2 CA MET A 1 31.549 32.734 3.217 1.00 0.00 C ATOM 3 C MET A 1 32.381 32.752 4.493 1.00 0.00 C ATOM 4 O MET A 1 32.824 31.707 4.973 1.00 0.00 O ATOM 5 CB MET A 1 30.074 32.976 3.548 1.00 0.00 C ATOM 6 CG MET A 1 29.556 31.859 4.458 1.00 0.00 C ATOM 7 SD MET A 1 27.783 32.095 4.745 1.00 0.00 S ATOM 8 CE MET A 1 27.664 31.196 6.315 1.00 0.00 C ATOM 0 H1 MET A 1 30.793 31.130 2.126 1.00 0.00 H new ATOM 0 H2 MET A 1 32.423 31.478 1.806 1.00 0.00 H new ATOM 0 H3 MET A 1 31.990 30.700 3.251 1.00 0.00 H new ATOM 0 HA MET A 1 31.896 33.524 2.551 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.956 33.942 4.039 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.487 33.011 2.630 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.736 30.887 3.998 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.094 31.868 5.406 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.645 30.835 6.451 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.350 30.349 6.302 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.925 31.863 7.137 1.00 0.00 H new ATOM 20 N GLN A 2 32.598 33.946 5.042 1.00 0.00 N ATOM 21 CA GLN A 2 33.384 34.100 6.263 1.00 0.00 C ATOM 22 C GLN A 2 32.516 34.648 7.396 1.00 0.00 C ATOM 23 O GLN A 2 31.483 35.271 7.154 1.00 0.00 O ATOM 24 CB GLN A 2 34.541 35.068 6.003 1.00 0.00 C ATOM 25 CG GLN A 2 35.436 34.519 4.888 1.00 0.00 C ATOM 26 CD GLN A 2 36.717 35.343 4.795 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.665 36.573 4.767 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.871 34.736 4.743 1.00 0.00 N ATOM 0 H GLN A 2 32.240 34.821 4.660 1.00 0.00 H new ATOM 0 HA GLN A 2 33.770 33.124 6.555 1.00 0.00 H new ATOM 0 HB2 GLN A 2 34.152 36.047 5.721 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.123 35.207 6.914 1.00 0.00 H new ATOM 0 HG2 GLN A 2 35.679 33.475 5.086 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.905 34.548 3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.913 33.717 4.766 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.731 35.280 4.679 1.00 0.00 H new ATOM 37 N ILE A 3 32.965 34.432 8.627 1.00 0.00 N ATOM 38 CA ILE A 3 32.250 34.930 9.800 1.00 0.00 C ATOM 39 C ILE A 3 33.209 35.099 10.962 1.00 0.00 C ATOM 40 O ILE A 3 34.369 34.708 10.884 1.00 0.00 O ATOM 41 CB ILE A 3 31.098 34.002 10.209 1.00 0.00 C ATOM 42 CG1 ILE A 3 31.603 32.546 10.317 1.00 0.00 C ATOM 43 CG2 ILE A 3 29.958 34.105 9.183 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.426 31.566 10.226 1.00 0.00 C ATOM 0 H ILE A 3 33.819 33.917 8.840 1.00 0.00 H new ATOM 0 HA ILE A 3 31.820 35.896 9.534 1.00 0.00 H new ATOM 0 HB ILE A 3 30.719 34.308 11.184 1.00 0.00 H new ATOM 0 HG12 ILE A 3 32.318 32.342 9.520 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.130 32.406 11.261 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.143 33.444 9.478 1.00 0.00 H new ATOM 0 HG22 ILE A 3 29.596 35.132 9.143 1.00 0.00 H new ATOM 0 HG23 ILE A 3 30.326 33.811 8.200 1.00 0.00 H new ATOM 0 HD11 ILE A 3 30.797 30.544 10.304 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.727 31.761 11.039 1.00 0.00 H new ATOM 0 HD13 ILE A 3 29.917 31.696 9.271 1.00 0.00 H new ATOM 56 N PHE A 4 32.712 35.699 12.038 1.00 0.00 N ATOM 57 CA PHE A 4 33.529 35.942 13.227 1.00 0.00 C ATOM 58 C PHE A 4 33.032 35.113 14.402 1.00 0.00 C ATOM 59 O PHE A 4 31.826 34.974 14.607 1.00 0.00 O ATOM 60 CB PHE A 4 33.456 37.425 13.600 1.00 0.00 C ATOM 61 CG PHE A 4 33.975 38.268 12.460 1.00 0.00 C ATOM 62 CD1 PHE A 4 33.104 38.686 11.445 1.00 0.00 C ATOM 63 CD2 PHE A 4 35.324 38.642 12.422 1.00 0.00 C ATOM 64 CE1 PHE A 4 33.584 39.477 10.394 1.00 0.00 C ATOM 65 CE2 PHE A 4 35.803 39.433 11.370 1.00 0.00 C ATOM 66 CZ PHE A 4 34.932 39.850 10.356 1.00 0.00 C ATOM 0 H PHE A 4 31.749 36.027 12.114 1.00 0.00 H new ATOM 0 HA PHE A 4 34.557 35.658 13.003 1.00 0.00 H new ATOM 0 HB2 PHE A 4 32.427 37.701 13.829 1.00 0.00 H new ATOM 0 HB3 PHE A 4 34.043 37.612 14.499 1.00 0.00 H new ATOM 0 HD1 PHE A 4 32.063 38.398 11.473 1.00 0.00 H new ATOM 0 HD2 PHE A 4 35.995 38.320 13.204 1.00 0.00 H new ATOM 0 HE1 PHE A 4 32.913 39.800 9.612 1.00 0.00 H new ATOM 0 HE2 PHE A 4 36.843 39.721 11.341 1.00 0.00 H new ATOM 0 HZ PHE A 4 35.301 40.460 9.544 1.00 0.00 H new ATOM 76 N VAL A 5 33.970 34.579 15.186 1.00 0.00 N ATOM 77 CA VAL A 5 33.631 33.782 16.361 1.00 0.00 C ATOM 78 C VAL A 5 34.137 34.492 17.606 1.00 0.00 C ATOM 79 O VAL A 5 35.299 34.894 17.683 1.00 0.00 O ATOM 80 CB VAL A 5 34.248 32.385 16.253 1.00 0.00 C ATOM 81 CG1 VAL A 5 34.160 31.669 17.608 1.00 0.00 C ATOM 82 CG2 VAL A 5 33.465 31.580 15.211 1.00 0.00 C ATOM 0 H VAL A 5 34.972 34.686 15.026 1.00 0.00 H new ATOM 0 HA VAL A 5 32.549 33.669 16.424 1.00 0.00 H new ATOM 0 HB VAL A 5 35.294 32.471 15.959 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.601 30.676 17.524 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.702 32.244 18.359 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.115 31.578 17.904 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.895 30.582 15.124 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.423 31.501 15.520 1.00 0.00 H new ATOM 0 HG23 VAL A 5 33.520 32.084 14.246 1.00 0.00 H new ATOM 92 N LYS A 6 33.239 34.664 18.562 1.00 0.00 N ATOM 93 CA LYS A 6 33.558 35.355 19.808 1.00 0.00 C ATOM 94 C LYS A 6 33.602 34.374 20.974 1.00 0.00 C ATOM 95 O LYS A 6 32.683 33.576 21.156 1.00 0.00 O ATOM 96 CB LYS A 6 32.480 36.413 20.064 1.00 0.00 C ATOM 97 CG LYS A 6 32.989 37.453 21.055 1.00 0.00 C ATOM 98 CD LYS A 6 31.850 38.420 21.391 1.00 0.00 C ATOM 99 CE LYS A 6 32.294 39.389 22.487 1.00 0.00 C ATOM 100 NZ LYS A 6 33.200 40.418 21.902 1.00 0.00 N ATOM 0 H LYS A 6 32.276 34.333 18.501 1.00 0.00 H new ATOM 0 HA LYS A 6 34.539 35.823 19.722 1.00 0.00 H new ATOM 0 HB2 LYS A 6 32.205 36.897 19.127 1.00 0.00 H new ATOM 0 HB3 LYS A 6 31.580 35.938 20.454 1.00 0.00 H new ATOM 0 HG2 LYS A 6 33.349 36.965 21.961 1.00 0.00 H new ATOM 0 HG3 LYS A 6 33.832 37.997 20.630 1.00 0.00 H new ATOM 0 HD2 LYS A 6 31.558 38.975 20.500 1.00 0.00 H new ATOM 0 HD3 LYS A 6 30.973 37.862 21.720 1.00 0.00 H new ATOM 0 HE2 LYS A 6 31.425 39.868 22.938 1.00 0.00 H new ATOM 0 HE3 LYS A 6 32.807 38.847 23.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 33.489 41.088 22.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 34.043 39.954 21.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 32.701 40.931 21.147 1.00 0.00 H new ATOM 114 N THR A 7 34.669 34.443 21.775 1.00 0.00 N ATOM 115 CA THR A 7 34.812 33.558 22.936 1.00 0.00 C ATOM 116 C THR A 7 34.614 34.343 24.230 1.00 0.00 C ATOM 117 O THR A 7 34.370 35.550 24.209 1.00 0.00 O ATOM 118 CB THR A 7 36.198 32.908 22.942 1.00 0.00 C ATOM 119 OG1 THR A 7 37.158 33.844 23.412 1.00 0.00 O ATOM 120 CG2 THR A 7 36.566 32.464 21.526 1.00 0.00 C ATOM 0 H THR A 7 35.441 35.097 21.643 1.00 0.00 H new ATOM 0 HA THR A 7 34.051 32.780 22.868 1.00 0.00 H new ATOM 0 HB THR A 7 36.186 32.038 23.599 1.00 0.00 H new ATOM 0 HG1 THR A 7 38.053 33.565 23.128 1.00 0.00 H new ATOM 0 HG21 THR A 7 37.553 32.002 21.535 1.00 0.00 H new ATOM 0 HG22 THR A 7 35.831 31.743 21.168 1.00 0.00 H new ATOM 0 HG23 THR A 7 36.577 33.330 20.864 1.00 0.00 H new ATOM 128 N LEU A 8 34.736 33.659 25.360 1.00 0.00 N ATOM 129 CA LEU A 8 34.571 34.316 26.649 1.00 0.00 C ATOM 130 C LEU A 8 35.736 35.267 26.929 1.00 0.00 C ATOM 131 O LEU A 8 35.566 36.283 27.602 1.00 0.00 O ATOM 132 CB LEU A 8 34.466 33.266 27.769 1.00 0.00 C ATOM 133 CG LEU A 8 34.340 33.959 29.137 1.00 0.00 C ATOM 134 CD1 LEU A 8 33.098 34.864 29.152 1.00 0.00 C ATOM 135 CD2 LEU A 8 34.214 32.899 30.240 1.00 0.00 C ATOM 0 H LEU A 8 34.946 32.662 25.411 1.00 0.00 H new ATOM 0 HA LEU A 8 33.651 34.900 26.620 1.00 0.00 H new ATOM 0 HB2 LEU A 8 33.601 32.625 27.597 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.346 32.623 27.759 1.00 0.00 H new ATOM 0 HG LEU A 8 35.228 34.566 29.314 1.00 0.00 H new ATOM 0 HD11 LEU A 8 33.015 35.352 30.123 1.00 0.00 H new ATOM 0 HD12 LEU A 8 33.190 35.621 28.373 1.00 0.00 H new ATOM 0 HD13 LEU A 8 32.207 34.262 28.970 1.00 0.00 H new ATOM 0 HD21 LEU A 8 34.125 33.391 31.209 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.328 32.290 30.060 1.00 0.00 H new ATOM 0 HD23 LEU A 8 35.099 32.263 30.236 1.00 0.00 H new ATOM 147 N THR A 9 36.919 34.931 26.424 1.00 0.00 N ATOM 148 CA THR A 9 38.093 35.769 26.651 1.00 0.00 C ATOM 149 C THR A 9 38.038 37.030 25.794 1.00 0.00 C ATOM 150 O THR A 9 39.008 37.787 25.734 1.00 0.00 O ATOM 151 CB THR A 9 39.373 34.991 26.341 1.00 0.00 C ATOM 152 OG1 THR A 9 39.279 34.422 25.043 1.00 0.00 O ATOM 153 CG2 THR A 9 39.564 33.879 27.374 1.00 0.00 C ATOM 0 H THR A 9 37.090 34.097 25.863 1.00 0.00 H new ATOM 0 HA THR A 9 38.097 36.061 27.701 1.00 0.00 H new ATOM 0 HB THR A 9 40.226 35.669 26.380 1.00 0.00 H new ATOM 0 HG1 THR A 9 38.361 34.512 24.712 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.477 33.327 27.150 1.00 0.00 H new ATOM 0 HG22 THR A 9 39.640 34.316 28.370 1.00 0.00 H new ATOM 0 HG23 THR A 9 38.712 33.200 27.340 1.00 0.00 H new ATOM 161 N GLY A 10 36.900 37.263 25.143 1.00 0.00 N ATOM 162 CA GLY A 10 36.745 38.449 24.312 1.00 0.00 C ATOM 163 C GLY A 10 37.633 38.378 23.078 1.00 0.00 C ATOM 164 O GLY A 10 37.984 39.405 22.495 1.00 0.00 O ATOM 0 H GLY A 10 36.083 36.653 25.175 1.00 0.00 H new ATOM 0 HA2 GLY A 10 35.703 38.549 24.008 1.00 0.00 H new ATOM 0 HA3 GLY A 10 36.995 39.337 24.892 1.00 0.00 H new ATOM 168 N LYS A 11 37.984 37.162 22.674 1.00 0.00 N ATOM 169 CA LYS A 11 38.818 36.968 21.491 1.00 0.00 C ATOM 170 C LYS A 11 37.934 36.813 20.264 1.00 0.00 C ATOM 171 O LYS A 11 36.946 36.081 20.295 1.00 0.00 O ATOM 172 CB LYS A 11 39.682 35.712 21.650 1.00 0.00 C ATOM 173 CG LYS A 11 40.556 35.829 22.907 1.00 0.00 C ATOM 174 CD LYS A 11 41.751 36.749 22.628 1.00 0.00 C ATOM 175 CE LYS A 11 42.772 36.629 23.757 1.00 0.00 C ATOM 176 NZ LYS A 11 43.809 37.689 23.596 1.00 0.00 N ATOM 0 H LYS A 11 37.707 36.300 23.144 1.00 0.00 H new ATOM 0 HA LYS A 11 39.466 37.836 21.374 1.00 0.00 H new ATOM 0 HB2 LYS A 11 39.046 34.830 21.721 1.00 0.00 H new ATOM 0 HB3 LYS A 11 40.312 35.581 20.770 1.00 0.00 H new ATOM 0 HG2 LYS A 11 39.967 36.224 23.735 1.00 0.00 H new ATOM 0 HG3 LYS A 11 40.908 34.843 23.209 1.00 0.00 H new ATOM 0 HD2 LYS A 11 42.213 36.482 21.678 1.00 0.00 H new ATOM 0 HD3 LYS A 11 41.413 37.782 22.539 1.00 0.00 H new ATOM 0 HE2 LYS A 11 42.277 36.731 24.723 1.00 0.00 H new ATOM 0 HE3 LYS A 11 43.237 35.643 23.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 44.507 37.611 24.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 44.287 37.571 22.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 43.357 38.625 23.633 1.00 0.00 H new ATOM 190 N THR A 12 38.296 37.497 19.179 1.00 0.00 N ATOM 191 CA THR A 12 37.532 37.419 17.934 1.00 0.00 C ATOM 192 C THR A 12 38.411 36.844 16.836 1.00 0.00 C ATOM 193 O THR A 12 39.504 37.345 16.572 1.00 0.00 O ATOM 194 CB THR A 12 37.039 38.804 17.514 1.00 0.00 C ATOM 195 OG1 THR A 12 36.377 39.421 18.609 1.00 0.00 O ATOM 196 CG2 THR A 12 36.062 38.658 16.339 1.00 0.00 C ATOM 0 H THR A 12 39.111 38.109 19.137 1.00 0.00 H new ATOM 0 HA THR A 12 36.668 36.774 18.096 1.00 0.00 H new ATOM 0 HB THR A 12 37.886 39.419 17.210 1.00 0.00 H new ATOM 0 HG1 THR A 12 36.062 40.310 18.342 1.00 0.00 H new ATOM 0 HG21 THR A 12 35.708 39.643 16.036 1.00 0.00 H new ATOM 0 HG22 THR A 12 36.570 38.181 15.501 1.00 0.00 H new ATOM 0 HG23 THR A 12 35.214 38.046 16.645 1.00 0.00 H new ATOM 204 N ILE A 13 37.924 35.788 16.204 1.00 0.00 N ATOM 205 CA ILE A 13 38.664 35.133 15.129 1.00 0.00 C ATOM 206 C ILE A 13 37.756 34.895 13.939 1.00 0.00 C ATOM 207 O ILE A 13 36.577 34.581 14.094 1.00 0.00 O ATOM 208 CB ILE A 13 39.243 33.805 15.619 1.00 0.00 C ATOM 209 CG1 ILE A 13 40.149 33.217 14.534 1.00 0.00 C ATOM 210 CG2 ILE A 13 38.107 32.830 15.918 1.00 0.00 C ATOM 211 CD1 ILE A 13 40.973 32.072 15.125 1.00 0.00 C ATOM 0 H ILE A 13 37.020 35.364 16.414 1.00 0.00 H new ATOM 0 HA ILE A 13 39.484 35.783 14.823 1.00 0.00 H new ATOM 0 HB ILE A 13 39.822 33.973 16.527 1.00 0.00 H new ATOM 0 HG12 ILE A 13 39.548 32.854 13.700 1.00 0.00 H new ATOM 0 HG13 ILE A 13 40.810 33.989 14.139 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.522 31.884 16.267 1.00 0.00 H new ATOM 0 HG22 ILE A 13 37.461 33.250 16.689 1.00 0.00 H new ATOM 0 HG23 ILE A 13 37.526 32.659 15.012 1.00 0.00 H new ATOM 0 HD11 ILE A 13 41.619 31.652 14.353 1.00 0.00 H new ATOM 0 HD12 ILE A 13 41.585 32.449 15.944 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.304 31.297 15.499 1.00 0.00 H new ATOM 223 N THR A 14 38.311 35.057 12.745 1.00 0.00 N ATOM 224 CA THR A 14 37.540 34.863 11.522 1.00 0.00 C ATOM 225 C THR A 14 37.791 33.477 10.944 1.00 0.00 C ATOM 226 O THR A 14 38.927 33.002 10.903 1.00 0.00 O ATOM 227 CB THR A 14 37.904 35.934 10.493 1.00 0.00 C ATOM 228 OG1 THR A 14 37.896 37.207 11.125 1.00 0.00 O ATOM 229 CG2 THR A 14 36.872 35.923 9.360 1.00 0.00 C ATOM 0 H THR A 14 39.285 35.320 12.596 1.00 0.00 H new ATOM 0 HA THR A 14 36.481 34.950 11.765 1.00 0.00 H new ATOM 0 HB THR A 14 38.894 35.731 10.085 1.00 0.00 H new ATOM 0 HG1 THR A 14 36.986 37.570 11.119 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.130 36.686 8.625 1.00 0.00 H new ATOM 0 HG22 THR A 14 36.869 34.944 8.881 1.00 0.00 H new ATOM 0 HG23 THR A 14 35.883 36.131 9.767 1.00 0.00 H new ATOM 237 N LEU A 15 36.712 32.837 10.506 1.00 0.00 N ATOM 238 CA LEU A 15 36.773 31.492 9.934 1.00 0.00 C ATOM 239 C LEU A 15 36.125 31.484 8.548 1.00 0.00 C ATOM 240 O LEU A 15 35.193 32.243 8.280 1.00 0.00 O ATOM 241 CB LEU A 15 36.019 30.518 10.876 1.00 0.00 C ATOM 242 CG LEU A 15 36.993 29.651 11.689 1.00 0.00 C ATOM 243 CD1 LEU A 15 37.922 30.538 12.529 1.00 0.00 C ATOM 244 CD2 LEU A 15 36.183 28.739 12.616 1.00 0.00 C ATOM 0 H LEU A 15 35.772 33.232 10.536 1.00 0.00 H new ATOM 0 HA LEU A 15 37.812 31.179 9.833 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.383 31.086 11.555 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.363 29.876 10.288 1.00 0.00 H new ATOM 0 HG LEU A 15 37.601 29.054 11.009 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.606 29.910 13.100 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.493 31.193 11.871 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.327 31.142 13.214 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.862 28.118 13.199 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.580 29.348 13.289 1.00 0.00 H new ATOM 0 HD23 LEU A 15 35.530 28.102 12.020 1.00 0.00 H new ATOM 256 N GLU A 16 36.606 30.592 7.682 1.00 0.00 N ATOM 257 CA GLU A 16 36.048 30.452 6.332 1.00 0.00 C ATOM 258 C GLU A 16 35.220 29.176 6.275 1.00 0.00 C ATOM 259 O GLU A 16 35.718 28.092 6.575 1.00 0.00 O ATOM 260 CB GLU A 16 37.163 30.396 5.280 1.00 0.00 C ATOM 261 CG GLU A 16 38.315 29.529 5.788 1.00 0.00 C ATOM 262 CD GLU A 16 39.404 29.437 4.725 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.077 29.568 3.557 1.00 0.00 O ATOM 264 OE2 GLU A 16 40.549 29.238 5.094 1.00 0.00 O ATOM 0 H GLU A 16 37.377 29.957 7.887 1.00 0.00 H new ATOM 0 HA GLU A 16 35.423 31.318 6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.774 29.989 4.347 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.522 31.402 5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.724 29.954 6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.950 28.532 6.034 1.00 0.00 H new ATOM 271 N VAL A 17 33.947 29.308 5.907 1.00 0.00 N ATOM 272 CA VAL A 17 33.063 28.144 5.840 1.00 0.00 C ATOM 273 C VAL A 17 32.049 28.275 4.713 1.00 0.00 C ATOM 274 O VAL A 17 31.837 29.360 4.167 1.00 0.00 O ATOM 275 CB VAL A 17 32.348 27.939 7.193 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.290 28.304 8.343 1.00 0.00 C ATOM 277 CG2 VAL A 17 31.103 28.825 7.279 1.00 0.00 C ATOM 0 H VAL A 17 33.509 30.194 5.654 1.00 0.00 H new ATOM 0 HA VAL A 17 33.677 27.269 5.628 1.00 0.00 H new ATOM 0 HB VAL A 17 32.056 26.892 7.269 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.778 28.157 9.294 1.00 0.00 H new ATOM 0 HG12 VAL A 17 34.174 27.668 8.305 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.590 29.348 8.250 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.611 28.668 8.239 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.394 29.871 7.187 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.416 28.567 6.473 1.00 0.00 H new ATOM 287 N GLU A 18 31.411 27.150 4.385 1.00 0.00 N ATOM 288 CA GLU A 18 30.404 27.115 3.343 1.00 0.00 C ATOM 289 C GLU A 18 29.021 27.016 3.992 1.00 0.00 C ATOM 290 O GLU A 18 28.881 26.416 5.056 1.00 0.00 O ATOM 291 CB GLU A 18 30.633 25.908 2.430 1.00 0.00 C ATOM 292 CG GLU A 18 31.954 26.081 1.680 1.00 0.00 C ATOM 293 CD GLU A 18 32.277 24.814 0.897 1.00 0.00 C ATOM 294 OE1 GLU A 18 32.229 23.748 1.489 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.565 24.927 -0.283 1.00 0.00 O ATOM 0 H GLU A 18 31.581 26.250 4.834 1.00 0.00 H new ATOM 0 HA GLU A 18 30.469 28.024 2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.654 24.991 3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.810 25.813 1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.888 26.931 1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.757 26.298 2.385 1.00 0.00 H new ATOM 302 N PRO A 19 28.000 27.576 3.396 1.00 0.00 N ATOM 303 CA PRO A 19 26.623 27.520 3.971 1.00 0.00 C ATOM 304 C PRO A 19 26.156 26.081 4.189 1.00 0.00 C ATOM 305 O PRO A 19 25.231 25.822 4.968 1.00 0.00 O ATOM 306 CB PRO A 19 25.754 28.234 2.916 1.00 0.00 C ATOM 307 CG PRO A 19 26.706 29.072 2.129 1.00 0.00 C ATOM 308 CD PRO A 19 28.025 28.318 2.124 1.00 0.00 C ATOM 0 HA PRO A 19 26.567 27.988 4.954 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.240 27.516 2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 19 24.986 28.847 3.388 1.00 0.00 H new ATOM 0 HG2 PRO A 19 26.342 29.227 1.113 1.00 0.00 H new ATOM 0 HG3 PRO A 19 26.822 30.058 2.580 1.00 0.00 H new ATOM 0 HD2 PRO A 19 28.101 27.646 1.269 1.00 0.00 H new ATOM 0 HD3 PRO A 19 28.876 28.997 2.072 1.00 0.00 H new ATOM 316 N SER A 20 26.787 25.146 3.472 1.00 0.00 N ATOM 317 CA SER A 20 26.423 23.736 3.559 1.00 0.00 C ATOM 318 C SER A 20 27.333 22.976 4.520 1.00 0.00 C ATOM 319 O SER A 20 27.226 21.755 4.640 1.00 0.00 O ATOM 320 CB SER A 20 26.524 23.108 2.167 1.00 0.00 C ATOM 321 OG SER A 20 25.609 23.755 1.294 1.00 0.00 O ATOM 0 H SER A 20 27.551 25.344 2.826 1.00 0.00 H new ATOM 0 HA SER A 20 25.403 23.671 3.939 1.00 0.00 H new ATOM 0 HB2 SER A 20 27.540 23.205 1.784 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.303 22.042 2.219 1.00 0.00 H new ATOM 0 HG SER A 20 25.672 23.357 0.401 1.00 0.00 H new ATOM 327 N ASP A 21 28.222 23.688 5.204 1.00 0.00 N ATOM 328 CA ASP A 21 29.127 23.049 6.144 1.00 0.00 C ATOM 329 C ASP A 21 28.342 22.468 7.316 1.00 0.00 C ATOM 330 O ASP A 21 27.324 23.024 7.731 1.00 0.00 O ATOM 331 CB ASP A 21 30.150 24.081 6.645 1.00 0.00 C ATOM 332 CG ASP A 21 31.280 24.254 5.629 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.313 23.506 4.667 1.00 0.00 O ATOM 334 OD2 ASP A 21 32.103 25.125 5.834 1.00 0.00 O ATOM 0 H ASP A 21 28.333 24.699 5.125 1.00 0.00 H new ATOM 0 HA ASP A 21 29.653 22.235 5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.656 25.038 6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.560 23.760 7.602 1.00 0.00 H new ATOM 339 N THR A 22 28.826 21.346 7.848 1.00 0.00 N ATOM 340 CA THR A 22 28.166 20.699 8.976 1.00 0.00 C ATOM 341 C THR A 22 28.723 21.240 10.283 1.00 0.00 C ATOM 342 O THR A 22 29.886 21.631 10.352 1.00 0.00 O ATOM 343 CB THR A 22 28.381 19.184 8.923 1.00 0.00 C ATOM 344 OG1 THR A 22 29.747 18.892 9.174 1.00 0.00 O ATOM 345 CG2 THR A 22 27.988 18.656 7.542 1.00 0.00 C ATOM 0 H THR A 22 29.666 20.871 7.518 1.00 0.00 H new ATOM 0 HA THR A 22 27.098 20.910 8.919 1.00 0.00 H new ATOM 0 HB THR A 22 27.762 18.703 9.680 1.00 0.00 H new ATOM 0 HG1 THR A 22 29.885 17.922 9.142 1.00 0.00 H new ATOM 0 HG21 THR A 22 28.142 17.578 7.507 1.00 0.00 H new ATOM 0 HG22 THR A 22 26.938 18.879 7.353 1.00 0.00 H new ATOM 0 HG23 THR A 22 28.604 19.135 6.781 1.00 0.00 H new ATOM 353 N ILE A 23 27.892 21.261 11.313 1.00 0.00 N ATOM 354 CA ILE A 23 28.337 21.760 12.605 1.00 0.00 C ATOM 355 C ILE A 23 29.604 21.031 13.032 1.00 0.00 C ATOM 356 O ILE A 23 30.392 21.541 13.827 1.00 0.00 O ATOM 357 CB ILE A 23 27.242 21.553 13.657 1.00 0.00 C ATOM 358 CG1 ILE A 23 25.881 21.962 13.083 1.00 0.00 C ATOM 359 CG2 ILE A 23 27.548 22.404 14.888 1.00 0.00 C ATOM 360 CD1 ILE A 23 25.973 23.346 12.430 1.00 0.00 C ATOM 0 H ILE A 23 26.923 20.945 11.283 1.00 0.00 H new ATOM 0 HA ILE A 23 28.547 22.826 12.517 1.00 0.00 H new ATOM 0 HB ILE A 23 27.213 20.500 13.937 1.00 0.00 H new ATOM 0 HG12 ILE A 23 25.553 21.227 12.348 1.00 0.00 H new ATOM 0 HG13 ILE A 23 25.133 21.976 13.876 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.769 22.256 15.636 1.00 0.00 H new ATOM 0 HG22 ILE A 23 28.511 22.108 15.304 1.00 0.00 H new ATOM 0 HG23 ILE A 23 27.583 23.456 14.604 1.00 0.00 H new ATOM 0 HD11 ILE A 23 24.999 23.623 12.027 1.00 0.00 H new ATOM 0 HD12 ILE A 23 26.280 24.080 13.175 1.00 0.00 H new ATOM 0 HD13 ILE A 23 26.706 23.320 11.623 1.00 0.00 H new ATOM 372 N GLU A 24 29.806 19.846 12.471 1.00 0.00 N ATOM 373 CA GLU A 24 30.992 19.059 12.783 1.00 0.00 C ATOM 374 C GLU A 24 32.211 19.639 12.068 1.00 0.00 C ATOM 375 O GLU A 24 33.217 19.965 12.696 1.00 0.00 O ATOM 376 CB GLU A 24 30.774 17.605 12.354 1.00 0.00 C ATOM 377 CG GLU A 24 29.568 17.028 13.100 1.00 0.00 C ATOM 378 CD GLU A 24 29.398 15.551 12.758 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.298 15.241 11.583 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.372 14.750 13.679 1.00 0.00 O ATOM 0 H GLU A 24 29.170 19.411 11.803 1.00 0.00 H new ATOM 0 HA GLU A 24 31.169 19.092 13.858 1.00 0.00 H new ATOM 0 HB2 GLU A 24 30.608 17.553 11.278 1.00 0.00 H new ATOM 0 HB3 GLU A 24 31.664 17.014 12.568 1.00 0.00 H new ATOM 0 HG2 GLU A 24 29.704 17.147 14.175 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.666 17.578 12.830 1.00 0.00 H new ATOM 387 N ASN A 25 32.111 19.755 10.749 1.00 0.00 N ATOM 388 CA ASN A 25 33.207 20.292 9.952 1.00 0.00 C ATOM 389 C ASN A 25 33.622 21.670 10.461 1.00 0.00 C ATOM 390 O ASN A 25 34.808 21.985 10.532 1.00 0.00 O ATOM 391 CB ASN A 25 32.770 20.396 8.490 1.00 0.00 C ATOM 392 CG ASN A 25 33.883 21.009 7.646 1.00 0.00 C ATOM 393 OD1 ASN A 25 33.658 22.117 6.997 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 34.984 20.461 7.576 1.00 0.00 N flip ATOM 0 H ASN A 25 31.287 19.486 10.211 1.00 0.00 H new ATOM 0 HA ASN A 25 34.061 19.620 10.036 1.00 0.00 H new ATOM 0 HB2 ASN A 25 32.518 19.407 8.108 1.00 0.00 H new ATOM 0 HB3 ASN A 25 31.870 21.006 8.415 1.00 0.00 H new ATOM 0 HD21 ASN A 25 35.156 19.594 8.086 1.00 0.00 H new ATOM 0 HD22 ASN A 25 35.724 20.874 7.009 1.00 0.00 H new ATOM 401 N VAL A 26 32.638 22.490 10.813 1.00 0.00 N ATOM 402 CA VAL A 26 32.928 23.831 11.308 1.00 0.00 C ATOM 403 C VAL A 26 33.658 23.761 12.648 1.00 0.00 C ATOM 404 O VAL A 26 34.593 24.523 12.896 1.00 0.00 O ATOM 405 CB VAL A 26 31.635 24.640 11.451 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.967 26.040 11.959 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.946 24.752 10.086 1.00 0.00 C ATOM 0 H VAL A 26 31.647 22.255 10.766 1.00 0.00 H new ATOM 0 HA VAL A 26 33.574 24.331 10.586 1.00 0.00 H new ATOM 0 HB VAL A 26 30.972 24.139 12.156 1.00 0.00 H new ATOM 0 HG11 VAL A 26 31.048 26.617 12.061 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.460 25.968 12.928 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.630 26.536 11.251 1.00 0.00 H new ATOM 0 HG21 VAL A 26 30.026 25.328 10.189 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.611 25.253 9.383 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.710 23.755 9.715 1.00 0.00 H new ATOM 417 N LYS A 27 33.244 22.832 13.502 1.00 0.00 N ATOM 418 CA LYS A 27 33.889 22.672 14.798 1.00 0.00 C ATOM 419 C LYS A 27 35.338 22.281 14.581 1.00 0.00 C ATOM 420 O LYS A 27 36.237 22.734 15.290 1.00 0.00 O ATOM 421 CB LYS A 27 33.169 21.600 15.626 1.00 0.00 C ATOM 422 CG LYS A 27 31.940 22.210 16.308 1.00 0.00 C ATOM 423 CD LYS A 27 31.087 21.099 16.934 1.00 0.00 C ATOM 424 CE LYS A 27 30.190 21.690 18.024 1.00 0.00 C ATOM 425 NZ LYS A 27 29.254 22.677 17.418 1.00 0.00 N ATOM 0 H LYS A 27 32.475 22.186 13.323 1.00 0.00 H new ATOM 0 HA LYS A 27 33.841 23.613 15.346 1.00 0.00 H new ATOM 0 HB2 LYS A 27 32.867 20.773 14.983 1.00 0.00 H new ATOM 0 HB3 LYS A 27 33.846 21.190 16.375 1.00 0.00 H new ATOM 0 HG2 LYS A 27 32.253 22.917 17.076 1.00 0.00 H new ATOM 0 HG3 LYS A 27 31.350 22.769 15.582 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.477 20.620 16.168 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.731 20.328 17.358 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.629 20.896 18.517 1.00 0.00 H new ATOM 0 HE3 LYS A 27 30.799 22.173 18.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 29.131 23.481 18.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.643 23.016 16.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 28.333 22.224 17.250 1.00 0.00 H new ATOM 439 N ALA A 28 35.553 21.447 13.579 1.00 0.00 N ATOM 440 CA ALA A 28 36.887 20.996 13.237 1.00 0.00 C ATOM 441 C ALA A 28 37.769 22.191 12.878 1.00 0.00 C ATOM 442 O ALA A 28 38.942 22.240 13.243 1.00 0.00 O ATOM 443 CB ALA A 28 36.795 20.033 12.052 1.00 0.00 C ATOM 0 H ALA A 28 34.815 21.067 12.986 1.00 0.00 H new ATOM 0 HA ALA A 28 37.332 20.484 14.090 1.00 0.00 H new ATOM 0 HB1 ALA A 28 37.794 19.687 11.786 1.00 0.00 H new ATOM 0 HB2 ALA A 28 36.176 19.178 12.325 1.00 0.00 H new ATOM 0 HB3 ALA A 28 36.350 20.546 11.200 1.00 0.00 H new ATOM 449 N LYS A 29 37.183 23.160 12.173 1.00 0.00 N ATOM 450 CA LYS A 29 37.923 24.360 11.786 1.00 0.00 C ATOM 451 C LYS A 29 38.334 25.137 13.034 1.00 0.00 C ATOM 452 O LYS A 29 39.454 25.648 13.132 1.00 0.00 O ATOM 453 CB LYS A 29 37.061 25.264 10.894 1.00 0.00 C ATOM 454 CG LYS A 29 36.767 24.571 9.562 1.00 0.00 C ATOM 455 CD LYS A 29 35.866 25.469 8.701 1.00 0.00 C ATOM 456 CE LYS A 29 35.562 24.768 7.373 1.00 0.00 C ATOM 457 NZ LYS A 29 34.302 25.316 6.805 1.00 0.00 N ATOM 0 H LYS A 29 36.212 23.138 11.862 1.00 0.00 H new ATOM 0 HA LYS A 29 38.809 24.053 11.230 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.126 25.503 11.402 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.576 26.208 10.715 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.699 24.362 9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 29 36.279 23.612 9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.938 25.685 9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.357 26.424 8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 29 36.385 24.917 6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 29 35.467 23.693 7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 33.690 24.533 6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 33.810 25.877 7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 34.524 25.922 5.990 1.00 0.00 H new ATOM 471 N ILE A 30 37.417 25.198 13.993 1.00 0.00 N ATOM 472 CA ILE A 30 37.673 25.893 15.239 1.00 0.00 C ATOM 473 C ILE A 30 38.760 25.172 16.030 1.00 0.00 C ATOM 474 O ILE A 30 39.668 25.802 16.565 1.00 0.00 O ATOM 475 CB ILE A 30 36.375 25.971 16.049 1.00 0.00 C ATOM 476 CG1 ILE A 30 35.417 26.951 15.364 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.681 26.463 17.464 1.00 0.00 C ATOM 478 CD1 ILE A 30 34.026 26.848 15.996 1.00 0.00 C ATOM 0 H ILE A 30 36.492 24.773 13.927 1.00 0.00 H new ATOM 0 HA ILE A 30 38.022 26.904 15.029 1.00 0.00 H new ATOM 0 HB ILE A 30 35.917 24.983 16.104 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.795 27.969 15.459 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.359 26.731 14.298 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.756 26.518 18.038 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.369 25.771 17.949 1.00 0.00 H new ATOM 0 HG23 ILE A 30 37.136 27.452 17.415 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.350 27.548 15.504 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.647 25.833 15.878 1.00 0.00 H new ATOM 0 HD13 ILE A 30 34.090 27.090 17.057 1.00 0.00 H new ATOM 490 N GLN A 31 38.659 23.850 16.107 1.00 0.00 N ATOM 491 CA GLN A 31 39.643 23.063 16.842 1.00 0.00 C ATOM 492 C GLN A 31 41.029 23.225 16.228 1.00 0.00 C ATOM 493 O GLN A 31 42.019 23.401 16.935 1.00 0.00 O ATOM 494 CB GLN A 31 39.255 21.582 16.827 1.00 0.00 C ATOM 495 CG GLN A 31 40.285 20.779 17.627 1.00 0.00 C ATOM 496 CD GLN A 31 39.806 19.343 17.811 1.00 0.00 C ATOM 497 OE1 GLN A 31 38.992 18.854 17.028 1.00 0.00 O ATOM 498 NE2 GLN A 31 40.268 18.634 18.804 1.00 0.00 N ATOM 0 H GLN A 31 37.914 23.305 15.674 1.00 0.00 H new ATOM 0 HA GLN A 31 39.664 23.424 17.870 1.00 0.00 H new ATOM 0 HB2 GLN A 31 38.262 21.450 17.256 1.00 0.00 H new ATOM 0 HB3 GLN A 31 39.210 21.217 15.801 1.00 0.00 H new ATOM 0 HG2 GLN A 31 41.244 20.787 17.109 1.00 0.00 H new ATOM 0 HG3 GLN A 31 40.444 21.244 18.600 1.00 0.00 H new ATOM 0 HE21 GLN A 31 40.943 19.042 19.451 1.00 0.00 H new ATOM 0 HE22 GLN A 31 39.955 17.672 18.933 1.00 0.00 H new ATOM 507 N ASP A 32 41.089 23.136 14.908 1.00 0.00 N ATOM 508 CA ASP A 32 42.360 23.248 14.203 1.00 0.00 C ATOM 509 C ASP A 32 43.075 24.560 14.528 1.00 0.00 C ATOM 510 O ASP A 32 44.298 24.582 14.667 1.00 0.00 O ATOM 511 CB ASP A 32 42.124 23.159 12.693 1.00 0.00 C ATOM 512 CG ASP A 32 41.526 21.802 12.337 1.00 0.00 C ATOM 513 OD1 ASP A 32 41.660 20.889 13.136 1.00 0.00 O ATOM 514 OD2 ASP A 32 40.942 21.694 11.271 1.00 0.00 O ATOM 0 H ASP A 32 40.279 22.988 14.305 1.00 0.00 H new ATOM 0 HA ASP A 32 42.995 22.426 14.533 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.453 23.956 12.374 1.00 0.00 H new ATOM 0 HB3 ASP A 32 43.064 23.302 12.161 1.00 0.00 H new ATOM 519 N LYS A 33 42.321 25.656 14.631 1.00 0.00 N ATOM 520 CA LYS A 33 42.930 26.962 14.914 1.00 0.00 C ATOM 521 C LYS A 33 43.058 27.250 16.418 1.00 0.00 C ATOM 522 O LYS A 33 44.016 27.896 16.841 1.00 0.00 O ATOM 523 CB LYS A 33 42.102 28.069 14.257 1.00 0.00 C ATOM 524 CG LYS A 33 41.994 27.802 12.753 1.00 0.00 C ATOM 525 CD LYS A 33 41.336 29.002 12.066 1.00 0.00 C ATOM 526 CE LYS A 33 41.293 28.769 10.555 1.00 0.00 C ATOM 527 NZ LYS A 33 40.404 27.611 10.253 1.00 0.00 N ATOM 0 H LYS A 33 41.307 25.670 14.525 1.00 0.00 H new ATOM 0 HA LYS A 33 43.939 26.937 14.501 1.00 0.00 H new ATOM 0 HB2 LYS A 33 41.108 28.107 14.703 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.568 29.039 14.432 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.984 27.627 12.332 1.00 0.00 H new ATOM 0 HG3 LYS A 33 41.408 26.901 12.574 1.00 0.00 H new ATOM 0 HD2 LYS A 33 40.326 29.145 12.451 1.00 0.00 H new ATOM 0 HD3 LYS A 33 41.894 29.912 12.288 1.00 0.00 H new ATOM 0 HE2 LYS A 33 40.927 29.663 10.049 1.00 0.00 H new ATOM 0 HE3 LYS A 33 42.297 28.577 10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 40.158 27.617 9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 40.897 26.725 10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 39.536 27.682 10.821 1.00 0.00 H new ATOM 541 N GLU A 34 42.085 26.811 17.222 1.00 0.00 N ATOM 542 CA GLU A 34 42.116 27.080 18.670 1.00 0.00 C ATOM 543 C GLU A 34 42.637 25.888 19.475 1.00 0.00 C ATOM 544 O GLU A 34 42.950 26.025 20.657 1.00 0.00 O ATOM 545 CB GLU A 34 40.710 27.445 19.160 1.00 0.00 C ATOM 546 CG GLU A 34 40.221 28.697 18.428 1.00 0.00 C ATOM 547 CD GLU A 34 38.789 29.021 18.842 1.00 0.00 C ATOM 548 OE1 GLU A 34 38.310 28.403 19.780 1.00 0.00 O ATOM 549 OE2 GLU A 34 38.193 29.883 18.216 1.00 0.00 O ATOM 0 H GLU A 34 41.276 26.276 16.905 1.00 0.00 H new ATOM 0 HA GLU A 34 42.803 27.912 18.828 1.00 0.00 H new ATOM 0 HB2 GLU A 34 40.025 26.616 18.982 1.00 0.00 H new ATOM 0 HB3 GLU A 34 40.723 27.622 20.235 1.00 0.00 H new ATOM 0 HG2 GLU A 34 40.873 29.540 18.657 1.00 0.00 H new ATOM 0 HG3 GLU A 34 40.270 28.540 17.350 1.00 0.00 H new ATOM 556 N GLY A 35 42.769 24.732 18.832 1.00 0.00 N ATOM 557 CA GLY A 35 43.293 23.548 19.511 1.00 0.00 C ATOM 558 C GLY A 35 42.370 23.051 20.627 1.00 0.00 C ATOM 559 O GLY A 35 42.761 22.194 21.420 1.00 0.00 O ATOM 0 H GLY A 35 42.524 24.588 17.852 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.438 22.750 18.782 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.272 23.778 19.930 1.00 0.00 H new ATOM 563 N ILE A 36 41.147 23.578 20.686 1.00 0.00 N ATOM 564 CA ILE A 36 40.190 23.163 21.710 1.00 0.00 C ATOM 565 C ILE A 36 39.289 22.036 21.169 1.00 0.00 C ATOM 566 O ILE A 36 38.784 22.140 20.052 1.00 0.00 O ATOM 567 CB ILE A 36 39.328 24.362 22.102 1.00 0.00 C ATOM 568 CG1 ILE A 36 40.233 25.536 22.478 1.00 0.00 C ATOM 569 CG2 ILE A 36 38.457 23.992 23.297 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.381 26.759 22.832 1.00 0.00 C ATOM 0 H ILE A 36 40.798 24.288 20.042 1.00 0.00 H new ATOM 0 HA ILE A 36 40.731 22.793 22.581 1.00 0.00 H new ATOM 0 HB ILE A 36 38.693 24.644 21.262 1.00 0.00 H new ATOM 0 HG12 ILE A 36 40.863 25.264 23.325 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.899 25.774 21.648 1.00 0.00 H new ATOM 0 HG21 ILE A 36 37.842 24.847 23.577 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.813 23.153 23.032 1.00 0.00 H new ATOM 0 HG23 ILE A 36 39.092 23.711 24.137 1.00 0.00 H new ATOM 0 HD11 ILE A 36 40.032 27.591 23.099 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.770 27.037 21.974 1.00 0.00 H new ATOM 0 HD13 ILE A 36 38.734 26.520 23.676 1.00 0.00 H new ATOM 582 N PRO A 37 39.071 20.967 21.918 1.00 0.00 N ATOM 583 CA PRO A 37 38.208 19.835 21.449 1.00 0.00 C ATOM 584 C PRO A 37 36.720 20.218 21.419 1.00 0.00 C ATOM 585 O PRO A 37 36.275 21.059 22.202 1.00 0.00 O ATOM 586 CB PRO A 37 38.481 18.724 22.473 1.00 0.00 C ATOM 587 CG PRO A 37 38.869 19.446 23.722 1.00 0.00 C ATOM 588 CD PRO A 37 39.606 20.709 23.272 1.00 0.00 C ATOM 0 HA PRO A 37 38.437 19.536 20.426 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.597 18.106 22.631 1.00 0.00 H new ATOM 0 HB3 PRO A 37 39.278 18.061 22.135 1.00 0.00 H new ATOM 0 HG2 PRO A 37 37.990 19.698 24.315 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.508 18.824 24.349 1.00 0.00 H new ATOM 0 HD2 PRO A 37 39.413 21.545 23.944 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.685 20.557 23.253 1.00 0.00 H new ATOM 596 N PRO A 38 35.946 19.625 20.538 1.00 0.00 N ATOM 597 CA PRO A 38 34.488 19.932 20.411 1.00 0.00 C ATOM 598 C PRO A 38 33.680 19.414 21.597 1.00 0.00 C ATOM 599 O PRO A 38 32.526 19.798 21.787 1.00 0.00 O ATOM 600 CB PRO A 38 34.089 19.229 19.109 1.00 0.00 C ATOM 601 CG PRO A 38 35.027 18.079 19.020 1.00 0.00 C ATOM 602 CD PRO A 38 36.358 18.589 19.572 1.00 0.00 C ATOM 0 HA PRO A 38 34.290 21.004 20.397 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.051 18.897 19.137 1.00 0.00 H new ATOM 0 HB3 PRO A 38 34.188 19.893 18.250 1.00 0.00 H new ATOM 0 HG2 PRO A 38 34.662 17.230 19.599 1.00 0.00 H new ATOM 0 HG3 PRO A 38 35.134 17.740 17.990 1.00 0.00 H new ATOM 0 HD2 PRO A 38 36.926 17.793 20.053 1.00 0.00 H new ATOM 0 HD3 PRO A 38 36.990 19.001 18.785 1.00 0.00 H new ATOM 610 N ASP A 39 34.290 18.545 22.392 1.00 0.00 N ATOM 611 CA ASP A 39 33.609 17.987 23.552 1.00 0.00 C ATOM 612 C ASP A 39 33.538 19.008 24.680 1.00 0.00 C ATOM 613 O ASP A 39 32.723 18.876 25.594 1.00 0.00 O ATOM 614 CB ASP A 39 34.345 16.736 24.039 1.00 0.00 C ATOM 615 CG ASP A 39 33.461 15.956 25.006 1.00 0.00 C ATOM 616 OD1 ASP A 39 33.545 16.217 26.193 1.00 0.00 O ATOM 617 OD2 ASP A 39 32.715 15.109 24.545 1.00 0.00 O ATOM 0 H ASP A 39 35.245 18.214 22.257 1.00 0.00 H new ATOM 0 HA ASP A 39 32.594 17.721 23.257 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.613 16.107 23.190 1.00 0.00 H new ATOM 0 HB3 ASP A 39 35.275 17.019 24.531 1.00 0.00 H new ATOM 622 N GLN A 40 34.405 20.022 24.627 1.00 0.00 N ATOM 623 CA GLN A 40 34.438 21.054 25.665 1.00 0.00 C ATOM 624 C GLN A 40 33.822 22.353 25.165 1.00 0.00 C ATOM 625 O GLN A 40 33.640 23.291 25.938 1.00 0.00 O ATOM 626 CB GLN A 40 35.890 21.326 26.072 1.00 0.00 C ATOM 627 CG GLN A 40 36.493 20.069 26.701 1.00 0.00 C ATOM 628 CD GLN A 40 35.824 19.781 28.040 1.00 0.00 C ATOM 629 OE1 GLN A 40 35.577 20.700 28.821 1.00 0.00 O ATOM 630 NE2 GLN A 40 35.513 18.553 28.353 1.00 0.00 N ATOM 0 H GLN A 40 35.089 20.150 23.881 1.00 0.00 H new ATOM 0 HA GLN A 40 33.863 20.694 26.518 1.00 0.00 H new ATOM 0 HB2 GLN A 40 36.473 21.623 25.200 1.00 0.00 H new ATOM 0 HB3 GLN A 40 35.930 22.154 26.780 1.00 0.00 H new ATOM 0 HG2 GLN A 40 36.363 19.219 26.031 1.00 0.00 H new ATOM 0 HG3 GLN A 40 37.565 20.202 26.843 1.00 0.00 H new ATOM 0 HE21 GLN A 40 35.719 17.794 27.704 1.00 0.00 H new ATOM 0 HE22 GLN A 40 35.064 18.353 29.247 1.00 0.00 H new ATOM 639 N GLN A 41 33.524 22.416 23.865 1.00 0.00 N ATOM 640 CA GLN A 41 32.955 23.627 23.267 1.00 0.00 C ATOM 641 C GLN A 41 31.535 23.405 22.761 1.00 0.00 C ATOM 642 O GLN A 41 31.200 22.343 22.239 1.00 0.00 O ATOM 643 CB GLN A 41 33.828 24.076 22.094 1.00 0.00 C ATOM 644 CG GLN A 41 35.233 24.404 22.595 1.00 0.00 C ATOM 645 CD GLN A 41 36.120 24.818 21.425 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.475 25.990 21.298 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.496 23.922 20.553 1.00 0.00 N ATOM 0 H GLN A 41 33.666 21.648 23.209 1.00 0.00 H new ATOM 0 HA GLN A 41 32.925 24.390 24.044 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.874 23.290 21.341 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.389 24.951 21.615 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.188 25.208 23.330 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.661 23.536 23.097 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.201 22.951 20.660 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.085 24.193 19.765 1.00 0.00 H new ATOM 656 N ARG A 42 30.718 24.447 22.900 1.00 0.00 N ATOM 657 CA ARG A 42 29.331 24.431 22.440 1.00 0.00 C ATOM 658 C ARG A 42 29.079 25.698 21.630 1.00 0.00 C ATOM 659 O ARG A 42 29.529 26.779 22.015 1.00 0.00 O ATOM 660 CB ARG A 42 28.376 24.375 23.644 1.00 0.00 C ATOM 661 CG ARG A 42 28.282 22.927 24.183 1.00 0.00 C ATOM 662 CD ARG A 42 27.063 22.211 23.578 1.00 0.00 C ATOM 663 NE ARG A 42 26.837 22.661 22.209 1.00 0.00 N ATOM 664 CZ ARG A 42 26.070 21.966 21.374 1.00 0.00 C ATOM 665 NH1 ARG A 42 25.888 22.384 20.151 1.00 0.00 N ATOM 666 NH2 ARG A 42 25.497 20.865 21.777 1.00 0.00 N ATOM 0 H ARG A 42 30.999 25.326 23.335 1.00 0.00 H new ATOM 0 HA ARG A 42 29.153 23.551 21.821 1.00 0.00 H new ATOM 0 HB2 ARG A 42 28.731 25.041 24.430 1.00 0.00 H new ATOM 0 HB3 ARG A 42 27.387 24.727 23.350 1.00 0.00 H new ATOM 0 HG2 ARG A 42 29.192 22.380 23.937 1.00 0.00 H new ATOM 0 HG3 ARG A 42 28.202 22.941 25.270 1.00 0.00 H new ATOM 0 HD2 ARG A 42 27.223 21.133 23.592 1.00 0.00 H new ATOM 0 HD3 ARG A 42 26.179 22.410 24.184 1.00 0.00 H new ATOM 0 HE ARG A 42 27.275 23.524 21.886 1.00 0.00 H new ATOM 0 HH11 ARG A 42 26.334 23.245 19.835 1.00 0.00 H new ATOM 0 HH12 ARG A 42 25.299 21.850 19.512 1.00 0.00 H new ATOM 0 HH21 ARG A 42 25.637 20.537 22.733 1.00 0.00 H new ATOM 0 HH22 ARG A 42 24.909 20.332 21.136 1.00 0.00 H new ATOM 680 N LEU A 43 28.367 25.575 20.508 1.00 0.00 N ATOM 681 CA LEU A 43 28.080 26.735 19.655 1.00 0.00 C ATOM 682 C LEU A 43 26.589 27.068 19.671 1.00 0.00 C ATOM 683 O LEU A 43 25.746 26.188 19.485 1.00 0.00 O ATOM 684 CB LEU A 43 28.519 26.434 18.217 1.00 0.00 C ATOM 685 CG LEU A 43 29.941 25.858 18.210 1.00 0.00 C ATOM 686 CD1 LEU A 43 30.384 25.618 16.764 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.906 26.844 18.882 1.00 0.00 C ATOM 0 H LEU A 43 27.981 24.694 20.169 1.00 0.00 H new ATOM 0 HA LEU A 43 28.631 27.592 20.041 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.829 25.726 17.759 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.484 27.345 17.620 1.00 0.00 H new ATOM 0 HG LEU A 43 29.951 24.916 18.759 1.00 0.00 H new ATOM 0 HD11 LEU A 43 31.394 25.209 16.756 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.703 24.913 16.287 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.370 26.561 16.218 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.914 26.429 18.874 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.898 27.789 18.338 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.592 27.015 19.912 1.00 0.00 H new ATOM 699 N ILE A 44 26.267 28.347 19.907 1.00 0.00 N ATOM 700 CA ILE A 44 24.868 28.793 19.958 1.00 0.00 C ATOM 701 C ILE A 44 24.636 30.011 19.057 1.00 0.00 C ATOM 702 O ILE A 44 25.497 30.884 18.925 1.00 0.00 O ATOM 703 CB ILE A 44 24.491 29.145 21.401 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.025 28.052 22.337 1.00 0.00 C ATOM 705 CG2 ILE A 44 22.963 29.238 21.523 1.00 0.00 C ATOM 706 CD1 ILE A 44 24.391 28.184 23.727 1.00 0.00 C ATOM 0 H ILE A 44 26.951 29.087 20.065 1.00 0.00 H new ATOM 0 HA ILE A 44 24.241 27.978 19.597 1.00 0.00 H new ATOM 0 HB ILE A 44 24.928 30.105 21.676 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.805 27.069 21.921 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.109 28.129 22.416 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.695 29.488 22.549 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.591 30.012 20.852 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.518 28.280 21.255 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.779 27.402 24.380 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.634 29.160 24.146 1.00 0.00 H new ATOM 0 HD13 ILE A 44 23.309 28.083 23.644 1.00 0.00 H new ATOM 718 N PHE A 45 23.449 30.050 18.453 1.00 0.00 N ATOM 719 CA PHE A 45 23.050 31.144 17.566 1.00 0.00 C ATOM 720 C PHE A 45 21.534 31.289 17.626 1.00 0.00 C ATOM 721 O PHE A 45 20.822 30.294 17.750 1.00 0.00 O ATOM 722 CB PHE A 45 23.476 30.842 16.127 1.00 0.00 C ATOM 723 CG PHE A 45 23.098 31.997 15.222 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.847 33.180 15.244 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.005 31.878 14.352 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.501 34.244 14.401 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.660 32.942 13.510 1.00 0.00 C ATOM 728 CZ PHE A 45 22.409 34.125 13.533 1.00 0.00 C ATOM 0 H PHE A 45 22.738 29.327 18.564 1.00 0.00 H new ATOM 0 HA PHE A 45 23.532 32.067 17.886 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.552 30.673 16.085 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.996 29.926 15.781 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.691 33.272 15.911 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.429 30.965 14.331 1.00 0.00 H new ATOM 0 HE1 PHE A 45 24.077 35.157 14.421 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.816 32.850 12.843 1.00 0.00 H new ATOM 0 HZ PHE A 45 22.144 34.945 12.882 1.00 0.00 H new ATOM 738 N ALA A 46 21.031 32.515 17.550 1.00 0.00 N ATOM 739 CA ALA A 46 19.588 32.716 17.619 1.00 0.00 C ATOM 740 C ALA A 46 19.048 32.014 18.862 1.00 0.00 C ATOM 741 O ALA A 46 17.943 31.470 18.865 1.00 0.00 O ATOM 742 CB ALA A 46 18.915 32.159 16.363 1.00 0.00 C ATOM 0 H ALA A 46 21.584 33.366 17.443 1.00 0.00 H new ATOM 0 HA ALA A 46 19.371 33.783 17.679 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.838 32.315 16.427 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.304 32.672 15.484 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.122 31.092 16.282 1.00 0.00 H new ATOM 748 N GLY A 47 19.852 32.056 19.921 1.00 0.00 N ATOM 749 CA GLY A 47 19.497 31.458 21.205 1.00 0.00 C ATOM 750 C GLY A 47 19.310 29.938 21.139 1.00 0.00 C ATOM 751 O GLY A 47 18.868 29.337 22.117 1.00 0.00 O ATOM 0 H GLY A 47 20.768 32.505 19.913 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.275 31.689 21.932 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.576 31.914 21.567 1.00 0.00 H new ATOM 755 N LYS A 48 19.646 29.313 20.004 1.00 0.00 N ATOM 756 CA LYS A 48 19.493 27.849 19.868 1.00 0.00 C ATOM 757 C LYS A 48 20.837 27.151 19.701 1.00 0.00 C ATOM 758 O LYS A 48 21.729 27.644 19.011 1.00 0.00 O ATOM 759 CB LYS A 48 18.616 27.517 18.661 1.00 0.00 C ATOM 760 CG LYS A 48 18.274 26.021 18.663 1.00 0.00 C ATOM 761 CD LYS A 48 17.174 25.768 17.634 1.00 0.00 C ATOM 762 CE LYS A 48 16.816 24.283 17.606 1.00 0.00 C ATOM 763 NZ LYS A 48 15.658 24.072 16.690 1.00 0.00 N ATOM 0 H LYS A 48 20.019 29.782 19.178 1.00 0.00 H new ATOM 0 HA LYS A 48 19.025 27.491 20.785 1.00 0.00 H new ATOM 0 HB2 LYS A 48 17.701 28.109 18.691 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.135 27.780 17.739 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.159 25.431 18.423 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.943 25.711 19.654 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.292 26.359 17.880 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.507 26.089 16.647 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.672 23.697 17.270 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.568 23.938 18.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.412 23.062 16.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.842 24.620 17.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.912 24.387 15.732 1.00 0.00 H new ATOM 777 N GLN A 49 20.957 25.980 20.329 1.00 0.00 N ATOM 778 CA GLN A 49 22.170 25.186 20.246 1.00 0.00 C ATOM 779 C GLN A 49 22.183 24.389 18.944 1.00 0.00 C ATOM 780 O GLN A 49 21.182 23.776 18.575 1.00 0.00 O ATOM 781 CB GLN A 49 22.237 24.226 21.432 1.00 0.00 C ATOM 782 CG GLN A 49 22.459 25.012 22.725 1.00 0.00 C ATOM 783 CD GLN A 49 22.205 24.116 23.935 1.00 0.00 C ATOM 784 OE1 GLN A 49 21.179 23.310 23.932 1.00 0.00 O flip ATOM 785 NE2 GLN A 49 22.961 24.154 24.906 1.00 0.00 N flip ATOM 0 H GLN A 49 20.222 25.565 20.901 1.00 0.00 H new ATOM 0 HA GLN A 49 23.033 25.852 20.267 1.00 0.00 H new ATOM 0 HB2 GLN A 49 21.313 23.652 21.499 1.00 0.00 H new ATOM 0 HB3 GLN A 49 23.047 23.511 21.287 1.00 0.00 H new ATOM 0 HG2 GLN A 49 23.478 25.397 22.755 1.00 0.00 H new ATOM 0 HG3 GLN A 49 21.792 25.874 22.755 1.00 0.00 H new ATOM 0 HE21 GLN A 49 23.762 24.786 24.904 1.00 0.00 H new ATOM 0 HE22 GLN A 49 22.786 23.554 25.712 1.00 0.00 H new ATOM 794 N LEU A 50 23.310 24.411 18.242 1.00 0.00 N ATOM 795 CA LEU A 50 23.419 23.691 16.972 1.00 0.00 C ATOM 796 C LEU A 50 23.658 22.202 17.204 1.00 0.00 C ATOM 797 O LEU A 50 24.492 21.813 18.021 1.00 0.00 O ATOM 798 CB LEU A 50 24.558 24.280 16.137 1.00 0.00 C ATOM 799 CG LEU A 50 24.495 25.811 16.189 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.636 26.399 15.358 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.153 26.293 15.626 1.00 0.00 C ATOM 0 H LEU A 50 24.153 24.912 18.523 1.00 0.00 H new ATOM 0 HA LEU A 50 22.478 23.804 16.433 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.519 23.932 16.517 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.481 23.938 15.105 1.00 0.00 H new ATOM 0 HG LEU A 50 24.592 26.139 17.224 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.590 27.487 15.396 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.591 26.062 15.761 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.541 26.067 14.324 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.112 27.382 15.665 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.052 25.963 14.592 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.339 25.878 16.220 1.00 0.00 H new ATOM 813 N GLU A 51 22.897 21.372 16.485 1.00 0.00 N ATOM 814 CA GLU A 51 23.004 19.916 16.617 1.00 0.00 C ATOM 815 C GLU A 51 23.950 19.324 15.575 1.00 0.00 C ATOM 816 O GLU A 51 23.977 19.740 14.411 1.00 0.00 O ATOM 817 CB GLU A 51 21.616 19.277 16.457 1.00 0.00 C ATOM 818 CG GLU A 51 20.853 19.357 17.780 1.00 0.00 C ATOM 819 CD GLU A 51 19.473 18.723 17.631 1.00 0.00 C ATOM 820 OE1 GLU A 51 18.631 19.330 16.990 1.00 0.00 O ATOM 821 OE2 GLU A 51 19.278 17.640 18.159 1.00 0.00 O ATOM 0 H GLU A 51 22.201 21.683 15.807 1.00 0.00 H new ATOM 0 HA GLU A 51 23.407 19.702 17.607 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.058 19.789 15.673 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.718 18.237 16.148 1.00 0.00 H new ATOM 0 HG2 GLU A 51 21.413 18.846 18.563 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.752 20.398 18.088 1.00 0.00 H new ATOM 828 N ASP A 52 24.710 18.332 16.009 1.00 0.00 N ATOM 829 CA ASP A 52 25.645 17.657 15.134 1.00 0.00 C ATOM 830 C ASP A 52 24.898 16.892 14.044 1.00 0.00 C ATOM 831 O ASP A 52 23.882 16.250 14.310 1.00 0.00 O ATOM 832 CB ASP A 52 26.510 16.688 15.944 1.00 0.00 C ATOM 833 CG ASP A 52 27.522 17.465 16.778 1.00 0.00 C ATOM 834 OD1 ASP A 52 27.613 18.667 16.595 1.00 0.00 O ATOM 835 OD2 ASP A 52 28.193 16.845 17.585 1.00 0.00 O ATOM 0 H ASP A 52 24.695 17.978 16.965 1.00 0.00 H new ATOM 0 HA ASP A 52 26.284 18.405 14.664 1.00 0.00 H new ATOM 0 HB2 ASP A 52 25.880 16.081 16.594 1.00 0.00 H new ATOM 0 HB3 ASP A 52 27.029 16.003 15.273 1.00 0.00 H new ATOM 840 N GLY A 53 25.414 16.955 12.818 1.00 0.00 N ATOM 841 CA GLY A 53 24.797 16.257 11.688 1.00 0.00 C ATOM 842 C GLY A 53 23.965 17.202 10.820 1.00 0.00 C ATOM 843 O GLY A 53 23.600 16.853 9.697 1.00 0.00 O ATOM 0 H GLY A 53 26.255 17.480 12.580 1.00 0.00 H new ATOM 0 HA2 GLY A 53 25.574 15.794 11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.162 15.453 12.061 1.00 0.00 H new ATOM 847 N ARG A 54 23.682 18.408 11.326 1.00 0.00 N ATOM 848 CA ARG A 54 22.904 19.382 10.549 1.00 0.00 C ATOM 849 C ARG A 54 23.830 20.367 9.834 1.00 0.00 C ATOM 850 O ARG A 54 24.991 20.526 10.207 1.00 0.00 O ATOM 851 CB ARG A 54 21.953 20.154 11.468 1.00 0.00 C ATOM 852 CG ARG A 54 20.800 19.242 11.895 1.00 0.00 C ATOM 853 CD ARG A 54 19.769 20.058 12.677 1.00 0.00 C ATOM 854 NE ARG A 54 18.588 19.248 12.949 1.00 0.00 N ATOM 855 CZ ARG A 54 18.611 18.287 13.867 1.00 0.00 C ATOM 856 NH1 ARG A 54 17.551 17.551 14.068 1.00 0.00 N ATOM 857 NH2 ARG A 54 19.689 18.086 14.572 1.00 0.00 N ATOM 0 H ARG A 54 23.972 18.729 12.250 1.00 0.00 H new ATOM 0 HA ARG A 54 22.325 18.836 9.804 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.491 20.513 12.346 1.00 0.00 H new ATOM 0 HB3 ARG A 54 21.564 21.031 10.951 1.00 0.00 H new ATOM 0 HG2 ARG A 54 20.334 18.792 11.018 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.177 18.425 12.511 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.204 20.406 13.614 1.00 0.00 H new ATOM 0 HD3 ARG A 54 19.488 20.944 12.108 1.00 0.00 H new ATOM 0 HE ARG A 54 17.730 19.422 12.426 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.706 17.714 13.521 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.568 16.813 14.772 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.514 18.666 14.419 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.707 17.349 15.277 1.00 0.00 H new ATOM 871 N THR A 55 23.302 21.031 8.804 1.00 0.00 N ATOM 872 CA THR A 55 24.076 22.013 8.037 1.00 0.00 C ATOM 873 C THR A 55 23.686 23.423 8.464 1.00 0.00 C ATOM 874 O THR A 55 22.629 23.620 9.055 1.00 0.00 O ATOM 875 CB THR A 55 23.802 21.838 6.541 1.00 0.00 C ATOM 876 OG1 THR A 55 22.399 21.802 6.321 1.00 0.00 O ATOM 877 CG2 THR A 55 24.432 20.531 6.049 1.00 0.00 C ATOM 0 H THR A 55 22.342 20.908 8.481 1.00 0.00 H new ATOM 0 HA THR A 55 25.138 21.857 8.229 1.00 0.00 H new ATOM 0 HB THR A 55 24.237 22.674 5.993 1.00 0.00 H new ATOM 0 HG1 THR A 55 22.221 21.692 5.364 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.235 20.410 4.984 1.00 0.00 H new ATOM 0 HG22 THR A 55 25.508 20.560 6.218 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.002 19.692 6.595 1.00 0.00 H new ATOM 885 N LEU A 56 24.527 24.407 8.159 1.00 0.00 N ATOM 886 CA LEU A 56 24.208 25.784 8.536 1.00 0.00 C ATOM 887 C LEU A 56 22.890 26.210 7.884 1.00 0.00 C ATOM 888 O LEU A 56 22.088 26.905 8.507 1.00 0.00 O ATOM 889 CB LEU A 56 25.350 26.748 8.139 1.00 0.00 C ATOM 890 CG LEU A 56 26.418 26.812 9.252 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.197 25.493 9.300 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.385 27.971 8.963 1.00 0.00 C ATOM 0 H LEU A 56 25.411 24.285 7.666 1.00 0.00 H new ATOM 0 HA LEU A 56 24.098 25.830 9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.807 26.415 7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.946 27.744 7.957 1.00 0.00 H new ATOM 0 HG LEU A 56 25.930 26.974 10.213 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.949 25.543 10.087 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.510 24.672 9.506 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.686 25.324 8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.140 28.019 9.747 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.871 27.808 8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.831 28.909 8.936 1.00 0.00 H new ATOM 904 N SER A 57 22.666 25.800 6.629 1.00 0.00 N ATOM 905 CA SER A 57 21.431 26.166 5.934 1.00 0.00 C ATOM 906 C SER A 57 20.225 25.959 6.840 1.00 0.00 C ATOM 907 O SER A 57 19.301 26.774 6.852 1.00 0.00 O ATOM 908 CB SER A 57 21.253 25.319 4.671 1.00 0.00 C ATOM 909 OG SER A 57 20.137 25.805 3.935 1.00 0.00 O ATOM 0 H SER A 57 23.311 25.226 6.085 1.00 0.00 H new ATOM 0 HA SER A 57 21.503 27.218 5.659 1.00 0.00 H new ATOM 0 HB2 SER A 57 22.154 25.363 4.059 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.100 24.273 4.938 1.00 0.00 H new ATOM 0 HG SER A 57 20.020 25.267 3.125 1.00 0.00 H new ATOM 915 N ASP A 58 20.246 24.876 7.613 1.00 0.00 N ATOM 916 CA ASP A 58 19.150 24.592 8.527 1.00 0.00 C ATOM 917 C ASP A 58 18.916 25.806 9.414 1.00 0.00 C ATOM 918 O ASP A 58 17.780 26.217 9.649 1.00 0.00 O ATOM 919 CB ASP A 58 19.488 23.372 9.388 1.00 0.00 C ATOM 920 CG ASP A 58 19.497 22.107 8.533 1.00 0.00 C ATOM 921 OD1 ASP A 58 18.836 22.103 7.508 1.00 0.00 O ATOM 922 OD2 ASP A 58 20.167 21.161 8.916 1.00 0.00 O ATOM 0 H ASP A 58 21.001 24.190 7.624 1.00 0.00 H new ATOM 0 HA ASP A 58 18.246 24.376 7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 58 20.462 23.509 9.858 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.758 23.271 10.191 1.00 0.00 H new ATOM 927 N TYR A 59 20.019 26.381 9.887 1.00 0.00 N ATOM 928 CA TYR A 59 19.984 27.568 10.740 1.00 0.00 C ATOM 929 C TYR A 59 20.345 28.801 9.912 1.00 0.00 C ATOM 930 O TYR A 59 21.509 28.981 9.588 1.00 0.00 O ATOM 931 CB TYR A 59 21.014 27.410 11.860 1.00 0.00 C ATOM 932 CG TYR A 59 20.776 26.115 12.600 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.501 24.964 12.259 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.833 26.067 13.630 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.280 23.766 12.952 1.00 0.00 C ATOM 936 CE2 TYR A 59 19.612 24.871 14.322 1.00 0.00 C ATOM 937 CZ TYR A 59 20.334 23.721 13.983 1.00 0.00 C ATOM 938 OH TYR A 59 20.115 22.542 14.668 1.00 0.00 O ATOM 0 H TYR A 59 20.960 26.039 9.691 1.00 0.00 H new ATOM 0 HA TYR A 59 18.985 27.684 11.161 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.021 27.421 11.443 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.945 28.251 12.550 1.00 0.00 H new ATOM 0 HD1 TYR A 59 22.229 25.001 11.463 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.274 26.953 13.892 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.838 22.879 12.691 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.884 24.835 15.119 1.00 0.00 H new ATOM 0 HH TYR A 59 19.428 22.684 15.352 1.00 0.00 H new ATOM 948 N ASN A 60 19.337 29.592 9.518 1.00 0.00 N ATOM 949 CA ASN A 60 19.550 30.778 8.662 1.00 0.00 C ATOM 950 C ASN A 60 20.708 31.683 9.128 1.00 0.00 C ATOM 951 O ASN A 60 20.499 32.838 9.502 1.00 0.00 O ATOM 952 CB ASN A 60 18.262 31.609 8.588 1.00 0.00 C ATOM 953 CG ASN A 60 17.110 30.750 8.069 1.00 0.00 C ATOM 954 OD1 ASN A 60 17.116 30.337 6.908 1.00 0.00 O ATOM 955 ND2 ASN A 60 16.113 30.460 8.861 1.00 0.00 N ATOM 0 H ASN A 60 18.363 29.435 9.777 1.00 0.00 H new ATOM 0 HA ASN A 60 19.824 30.393 7.680 1.00 0.00 H new ATOM 0 HB2 ASN A 60 18.017 32.002 9.575 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.411 32.466 7.931 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.339 29.891 8.519 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.109 30.802 9.822 1.00 0.00 H new ATOM 962 N ILE A 61 21.924 31.143 9.071 1.00 0.00 N ATOM 963 CA ILE A 61 23.136 31.871 9.446 1.00 0.00 C ATOM 964 C ILE A 61 23.792 32.426 8.182 1.00 0.00 C ATOM 965 O ILE A 61 24.435 31.682 7.444 1.00 0.00 O ATOM 966 CB ILE A 61 24.118 30.913 10.132 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.543 30.430 11.466 1.00 0.00 C ATOM 968 CG2 ILE A 61 25.452 31.624 10.384 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.392 29.263 11.981 1.00 0.00 C ATOM 0 H ILE A 61 22.098 30.186 8.763 1.00 0.00 H new ATOM 0 HA ILE A 61 22.878 32.683 10.126 1.00 0.00 H new ATOM 0 HB ILE A 61 24.279 30.055 9.479 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.541 31.243 12.192 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.508 30.115 11.338 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.144 30.937 10.871 1.00 0.00 H new ATOM 0 HG22 ILE A 61 25.875 31.952 9.434 1.00 0.00 H new ATOM 0 HG23 ILE A 61 25.287 32.489 11.026 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.990 28.912 12.931 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.371 28.450 11.256 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.420 29.596 12.123 1.00 0.00 H new ATOM 981 N GLN A 62 23.616 33.720 7.915 1.00 0.00 N ATOM 982 CA GLN A 62 24.192 34.315 6.703 1.00 0.00 C ATOM 983 C GLN A 62 25.628 34.778 6.914 1.00 0.00 C ATOM 984 O GLN A 62 26.152 34.753 8.028 1.00 0.00 O ATOM 985 CB GLN A 62 23.344 35.493 6.230 1.00 0.00 C ATOM 986 CG GLN A 62 21.943 35.000 5.869 1.00 0.00 C ATOM 987 CD GLN A 62 21.073 36.178 5.452 1.00 0.00 C ATOM 988 OE1 GLN A 62 20.989 36.501 4.267 1.00 0.00 O ATOM 989 NE2 GLN A 62 20.416 36.845 6.361 1.00 0.00 N ATOM 0 H GLN A 62 23.092 34.366 8.505 1.00 0.00 H new ATOM 0 HA GLN A 62 24.198 33.535 5.942 1.00 0.00 H new ATOM 0 HB2 GLN A 62 23.284 36.249 7.013 1.00 0.00 H new ATOM 0 HB3 GLN A 62 23.809 35.965 5.365 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.001 34.274 5.058 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.496 34.490 6.722 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.487 36.576 7.342 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.831 37.636 6.090 1.00 0.00 H new ATOM 998 N LYS A 63 26.257 35.178 5.812 1.00 0.00 N ATOM 999 CA LYS A 63 27.644 35.623 5.847 1.00 0.00 C ATOM 1000 C LYS A 63 27.842 36.811 6.781 1.00 0.00 C ATOM 1001 O LYS A 63 26.971 37.671 6.923 1.00 0.00 O ATOM 1002 CB LYS A 63 28.137 35.970 4.433 1.00 0.00 C ATOM 1003 CG LYS A 63 27.419 37.205 3.876 1.00 0.00 C ATOM 1004 CD LYS A 63 27.811 37.375 2.401 1.00 0.00 C ATOM 1005 CE LYS A 63 27.086 38.577 1.793 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.466 39.815 2.528 1.00 0.00 N ATOM 0 H LYS A 63 25.828 35.203 4.887 1.00 0.00 H new ATOM 0 HA LYS A 63 28.236 34.796 6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 63 29.212 36.152 4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 63 27.971 35.121 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 63 26.339 37.089 3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.695 38.092 4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 63 28.889 37.512 2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 63 27.561 36.472 1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.344 38.675 0.738 1.00 0.00 H new ATOM 0 HE3 LYS A 63 26.007 38.428 1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.232 40.647 1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 26.944 39.859 3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.488 39.804 2.721 1.00 0.00 H new ATOM 1020 N GLU A 64 29.019 36.839 7.402 1.00 0.00 N ATOM 1021 CA GLU A 64 29.394 37.909 8.319 1.00 0.00 C ATOM 1022 C GLU A 64 28.423 38.026 9.492 1.00 0.00 C ATOM 1023 O GLU A 64 27.708 39.019 9.623 1.00 0.00 O ATOM 1024 CB GLU A 64 29.478 39.236 7.563 1.00 0.00 C ATOM 1025 CG GLU A 64 30.651 39.169 6.581 1.00 0.00 C ATOM 1026 CD GLU A 64 30.609 40.352 5.622 1.00 0.00 C ATOM 1027 OE1 GLU A 64 29.550 40.612 5.075 1.00 0.00 O ATOM 1028 OE2 GLU A 64 31.640 40.980 5.445 1.00 0.00 O ATOM 0 H GLU A 64 29.736 36.123 7.284 1.00 0.00 H new ATOM 0 HA GLU A 64 30.372 37.663 8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 64 28.548 39.425 7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 64 29.617 40.061 8.262 1.00 0.00 H new ATOM 0 HG2 GLU A 64 31.593 39.170 7.129 1.00 0.00 H new ATOM 0 HG3 GLU A 64 30.610 38.236 6.019 1.00 0.00 H new HETATM 1035 N SEP A 65 28.435 37.016 10.365 1.00 0.00 N HETATM 1036 CA SEP A 65 27.589 37.000 11.561 1.00 0.00 C HETATM 1037 CB SEP A 65 26.456 35.981 11.391 1.00 0.00 C HETATM 1038 OG SEP A 65 25.572 36.421 10.366 1.00 0.00 O HETATM 1039 C SEP A 65 28.456 36.615 12.758 1.00 0.00 C HETATM 1040 O SEP A 65 29.526 36.022 12.581 1.00 0.00 O HETATM 1041 P SEP A 65 24.660 37.640 10.594 1.00 0.00 P HETATM 1042 O1P SEP A 65 24.699 37.912 12.137 1.00 0.00 O HETATM 1043 O2P SEP A 65 23.246 37.198 10.079 1.00 0.00 O HETATM 1044 O3P SEP A 65 25.294 38.793 9.745 1.00 0.00 O HETATM 0 HB3 SEP A 65 26.867 35.004 11.137 1.00 0.00 H new HETATM 0 HB2 SEP A 65 25.913 35.865 12.329 1.00 0.00 H new HETATM 0 HA SEP A 65 27.148 37.984 11.717 1.00 0.00 H new ATOM 1049 N THR A 66 28.018 36.943 13.975 1.00 0.00 N ATOM 1050 CA THR A 66 28.799 36.600 15.170 1.00 0.00 C ATOM 1051 C THR A 66 28.232 35.353 15.844 1.00 0.00 C ATOM 1052 O THR A 66 27.061 35.316 16.224 1.00 0.00 O ATOM 1053 CB THR A 66 28.791 37.768 16.158 1.00 0.00 C ATOM 1054 OG1 THR A 66 29.354 38.913 15.531 1.00 0.00 O ATOM 1055 CG2 THR A 66 29.623 37.397 17.389 1.00 0.00 C ATOM 0 H THR A 66 27.145 37.436 14.160 1.00 0.00 H new ATOM 0 HA THR A 66 29.824 36.397 14.861 1.00 0.00 H new ATOM 0 HB THR A 66 27.768 37.985 16.465 1.00 0.00 H new ATOM 0 HG1 THR A 66 29.350 39.665 16.159 1.00 0.00 H new ATOM 0 HG21 THR A 66 29.619 38.228 18.095 1.00 0.00 H new ATOM 0 HG22 THR A 66 29.195 36.515 17.865 1.00 0.00 H new ATOM 0 HG23 THR A 66 30.648 37.184 17.085 1.00 0.00 H new ATOM 1063 N LEU A 67 29.080 34.335 15.996 1.00 0.00 N ATOM 1064 CA LEU A 67 28.677 33.079 16.630 1.00 0.00 C ATOM 1065 C LEU A 67 29.095 33.087 18.100 1.00 0.00 C ATOM 1066 O LEU A 67 30.144 33.632 18.444 1.00 0.00 O ATOM 1067 CB LEU A 67 29.351 31.900 15.905 1.00 0.00 C ATOM 1068 CG LEU A 67 28.536 31.497 14.665 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.173 30.901 15.084 1.00 0.00 C ATOM 1070 CD2 LEU A 67 28.322 32.732 13.775 1.00 0.00 C ATOM 0 H LEU A 67 30.052 34.356 15.688 1.00 0.00 H new ATOM 0 HA LEU A 67 27.594 32.972 16.567 1.00 0.00 H new ATOM 0 HB2 LEU A 67 30.363 32.177 15.609 1.00 0.00 H new ATOM 0 HB3 LEU A 67 29.439 31.050 16.582 1.00 0.00 H new ATOM 0 HG LEU A 67 29.085 30.738 14.108 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.609 30.621 14.194 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.336 30.018 15.702 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.611 31.642 15.652 1.00 0.00 H new ATOM 0 HD21 LEU A 67 27.744 32.450 12.895 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.781 33.495 14.335 1.00 0.00 H new ATOM 0 HD23 LEU A 67 29.289 33.128 13.463 1.00 0.00 H new ATOM 1082 N HIS A 68 28.281 32.481 18.973 1.00 0.00 N ATOM 1083 CA HIS A 68 28.606 32.440 20.396 1.00 0.00 C ATOM 1084 C HIS A 68 29.349 31.145 20.732 1.00 0.00 C ATOM 1085 O HIS A 68 28.813 30.053 20.542 1.00 0.00 O ATOM 1086 CB HIS A 68 27.322 32.524 21.223 1.00 0.00 C ATOM 1087 CG HIS A 68 26.621 33.825 20.932 1.00 0.00 C ATOM 1088 ND1 HIS A 68 25.686 33.949 19.914 1.00 0.00 N ATOM 1089 CD2 HIS A 68 26.707 35.066 21.514 1.00 0.00 C ATOM 1090 CE1 HIS A 68 25.252 35.223 19.916 1.00 0.00 C ATOM 1091 NE2 HIS A 68 25.841 35.947 20.871 1.00 0.00 N ATOM 0 H HIS A 68 27.407 32.020 18.721 1.00 0.00 H new ATOM 0 HA HIS A 68 29.247 33.289 20.634 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.668 31.685 20.985 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.556 32.454 22.285 1.00 0.00 H new ATOM 0 HD1 HIS A 68 25.383 33.210 19.280 1.00 0.00 H new ATOM 0 HD2 HIS A 68 27.349 35.320 22.344 1.00 0.00 H new ATOM 0 HE1 HIS A 68 24.516 35.613 19.228 1.00 0.00 H new ATOM 1100 N LEU A 69 30.582 31.265 21.242 1.00 0.00 N ATOM 1101 CA LEU A 69 31.377 30.113 21.605 1.00 0.00 C ATOM 1102 C LEU A 69 31.490 30.048 23.114 1.00 0.00 C ATOM 1103 O LEU A 69 32.111 30.898 23.750 1.00 0.00 O ATOM 1104 CB LEU A 69 32.768 30.226 20.977 1.00 0.00 C ATOM 1105 CG LEU A 69 33.614 28.965 21.301 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.403 28.536 20.059 1.00 0.00 C ATOM 1107 CD2 LEU A 69 34.596 29.268 22.447 1.00 0.00 C ATOM 0 H LEU A 69 31.042 32.160 21.409 1.00 0.00 H new ATOM 0 HA LEU A 69 30.901 29.204 21.237 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.678 30.343 19.897 1.00 0.00 H new ATOM 0 HB3 LEU A 69 33.272 31.116 21.353 1.00 0.00 H new ATOM 0 HG LEU A 69 32.943 28.161 21.604 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.995 27.651 20.292 1.00 0.00 H new ATOM 0 HD12 LEU A 69 33.710 28.307 19.249 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.066 29.345 19.752 1.00 0.00 H new ATOM 0 HD21 LEU A 69 35.185 28.377 22.667 1.00 0.00 H new ATOM 0 HD22 LEU A 69 35.261 30.079 22.151 1.00 0.00 H new ATOM 0 HD23 LEU A 69 34.038 29.563 23.336 1.00 0.00 H new ATOM 1119 N VAL A 70 30.859 29.036 23.672 1.00 0.00 N ATOM 1120 CA VAL A 70 30.851 28.823 25.118 1.00 0.00 C ATOM 1121 C VAL A 70 31.385 27.435 25.437 1.00 0.00 C ATOM 1122 O VAL A 70 31.243 26.508 24.641 1.00 0.00 O ATOM 1123 CB VAL A 70 29.425 28.974 25.650 1.00 0.00 C ATOM 1124 CG1 VAL A 70 29.439 28.947 27.178 1.00 0.00 C ATOM 1125 CG2 VAL A 70 28.843 30.307 25.170 1.00 0.00 C ATOM 0 H VAL A 70 30.337 28.336 23.145 1.00 0.00 H new ATOM 0 HA VAL A 70 31.490 29.565 25.597 1.00 0.00 H new ATOM 0 HB VAL A 70 28.812 28.152 25.281 1.00 0.00 H new ATOM 0 HG11 VAL A 70 28.421 29.055 27.553 1.00 0.00 H new ATOM 0 HG12 VAL A 70 29.854 27.999 27.521 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.052 29.768 27.551 1.00 0.00 H new ATOM 0 HG21 VAL A 70 27.827 30.417 25.548 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.459 31.127 25.540 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.829 30.327 24.080 1.00 0.00 H new ATOM 1135 N LEU A 71 32.006 27.299 26.603 1.00 0.00 N ATOM 1136 CA LEU A 71 32.566 26.018 27.015 1.00 0.00 C ATOM 1137 C LEU A 71 31.501 25.149 27.669 1.00 0.00 C ATOM 1138 O LEU A 71 30.335 25.535 27.756 1.00 0.00 O ATOM 1139 CB LEU A 71 33.722 26.237 27.992 1.00 0.00 C ATOM 1140 CG LEU A 71 34.605 27.403 27.516 1.00 0.00 C ATOM 1141 CD1 LEU A 71 35.906 27.426 28.324 1.00 0.00 C ATOM 1142 CD2 LEU A 71 34.936 27.238 26.025 1.00 0.00 C ATOM 0 H LEU A 71 32.134 28.055 27.276 1.00 0.00 H new ATOM 0 HA LEU A 71 32.937 25.508 26.126 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.332 26.449 28.987 1.00 0.00 H new ATOM 0 HB3 LEU A 71 34.318 25.328 28.071 1.00 0.00 H new ATOM 0 HG LEU A 71 34.065 28.338 27.663 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.530 28.253 27.985 1.00 0.00 H new ATOM 0 HD12 LEU A 71 35.675 27.555 29.381 1.00 0.00 H new ATOM 0 HD13 LEU A 71 36.440 26.486 28.181 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.561 28.068 25.697 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.469 26.300 25.872 1.00 0.00 H new ATOM 0 HD23 LEU A 71 34.012 27.229 25.446 1.00 0.00 H new ATOM 1154 N ARG A 72 31.916 23.981 28.134 1.00 0.00 N ATOM 1155 CA ARG A 72 30.996 23.062 28.793 1.00 0.00 C ATOM 1156 C ARG A 72 30.596 23.614 30.157 1.00 0.00 C ATOM 1157 O ARG A 72 29.444 23.499 30.572 1.00 0.00 O ATOM 1158 CB ARG A 72 31.656 21.694 28.965 1.00 0.00 C ATOM 1159 CG ARG A 72 30.699 20.749 29.692 1.00 0.00 C ATOM 1160 CD ARG A 72 31.235 19.320 29.612 1.00 0.00 C ATOM 1161 NE ARG A 72 31.191 18.842 28.235 1.00 0.00 N ATOM 1162 CZ ARG A 72 31.458 17.575 27.940 1.00 0.00 C ATOM 1163 NH1 ARG A 72 31.408 17.170 26.701 1.00 0.00 N ATOM 1164 NH2 ARG A 72 31.770 16.734 28.889 1.00 0.00 N ATOM 0 H ARG A 72 32.877 23.647 28.069 1.00 0.00 H new ATOM 0 HA ARG A 72 30.105 22.953 28.175 1.00 0.00 H new ATOM 0 HB2 ARG A 72 31.920 21.282 27.991 1.00 0.00 H new ATOM 0 HB3 ARG A 72 32.583 21.795 29.530 1.00 0.00 H new ATOM 0 HG2 ARG A 72 30.594 21.052 30.734 1.00 0.00 H new ATOM 0 HG3 ARG A 72 29.707 20.802 29.243 1.00 0.00 H new ATOM 0 HD2 ARG A 72 32.259 19.287 29.984 1.00 0.00 H new ATOM 0 HD3 ARG A 72 30.643 18.665 30.251 1.00 0.00 H new ATOM 0 HE ARG A 72 30.951 19.492 27.486 1.00 0.00 H new ATOM 0 HH11 ARG A 72 31.164 17.826 25.959 1.00 0.00 H new ATOM 0 HH12 ARG A 72 31.613 16.197 26.474 1.00 0.00 H new ATOM 0 HH21 ARG A 72 31.809 17.050 29.858 1.00 0.00 H new ATOM 0 HH22 ARG A 72 31.975 15.761 28.661 1.00 0.00 H new ATOM 1178 N LEU A 73 31.559 24.217 30.847 1.00 0.00 N ATOM 1179 CA LEU A 73 31.293 24.786 32.161 1.00 0.00 C ATOM 1180 C LEU A 73 30.138 25.781 32.084 1.00 0.00 C ATOM 1181 O LEU A 73 30.123 26.667 31.230 1.00 0.00 O ATOM 1182 CB LEU A 73 32.551 25.487 32.700 1.00 0.00 C ATOM 1183 CG LEU A 73 32.261 26.118 34.074 1.00 0.00 C ATOM 1184 CD1 LEU A 73 31.796 25.038 35.063 1.00 0.00 C ATOM 1185 CD2 LEU A 73 33.531 26.788 34.608 1.00 0.00 C ATOM 0 H LEU A 73 32.520 24.323 30.522 1.00 0.00 H new ATOM 0 HA LEU A 73 31.018 23.978 32.839 1.00 0.00 H new ATOM 0 HB2 LEU A 73 33.367 24.770 32.786 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.876 26.256 32.000 1.00 0.00 H new ATOM 0 HG LEU A 73 31.473 26.863 33.964 1.00 0.00 H new ATOM 0 HD11 LEU A 73 31.594 25.495 36.032 1.00 0.00 H new ATOM 0 HD12 LEU A 73 30.888 24.567 34.687 1.00 0.00 H new ATOM 0 HD13 LEU A 73 32.576 24.285 35.173 1.00 0.00 H new ATOM 0 HD21 LEU A 73 33.325 27.235 35.581 1.00 0.00 H new ATOM 0 HD22 LEU A 73 34.320 26.043 34.710 1.00 0.00 H new ATOM 0 HD23 LEU A 73 33.853 27.564 33.913 1.00 0.00 H new ATOM 1197 N ARG A 74 29.179 25.633 32.992 1.00 0.00 N ATOM 1198 CA ARG A 74 28.026 26.526 33.030 1.00 0.00 C ATOM 1199 C ARG A 74 28.438 27.909 33.526 1.00 0.00 C ATOM 1200 O ARG A 74 28.949 28.054 34.637 1.00 0.00 O ATOM 1201 CB ARG A 74 26.956 25.946 33.956 1.00 0.00 C ATOM 1202 CG ARG A 74 26.482 24.600 33.407 1.00 0.00 C ATOM 1203 CD ARG A 74 25.323 24.081 34.258 1.00 0.00 C ATOM 1204 NE ARG A 74 25.677 24.118 35.671 1.00 0.00 N ATOM 1205 CZ ARG A 74 24.822 23.713 36.605 1.00 0.00 C ATOM 1206 NH1 ARG A 74 25.160 23.760 37.864 1.00 0.00 N ATOM 1207 NH2 ARG A 74 23.644 23.268 36.261 1.00 0.00 N ATOM 0 H ARG A 74 29.177 24.907 33.708 1.00 0.00 H new ATOM 0 HA ARG A 74 27.624 26.621 32.021 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.359 25.819 34.961 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.115 26.635 34.034 1.00 0.00 H new ATOM 0 HG2 ARG A 74 26.165 24.710 32.370 1.00 0.00 H new ATOM 0 HG3 ARG A 74 27.303 23.883 33.415 1.00 0.00 H new ATOM 0 HD2 ARG A 74 24.434 24.687 34.083 1.00 0.00 H new ATOM 0 HD3 ARG A 74 25.076 23.061 33.965 1.00 0.00 H new ATOM 0 HE ARG A 74 26.597 24.461 35.948 1.00 0.00 H new ATOM 0 HH11 ARG A 74 26.081 24.108 38.132 1.00 0.00 H new ATOM 0 HH12 ARG A 74 24.504 23.449 38.580 1.00 0.00 H new ATOM 0 HH21 ARG A 74 23.380 23.231 35.276 1.00 0.00 H new ATOM 0 HH22 ARG A 74 22.987 22.957 36.977 1.00 0.00 H new ATOM 1221 N GLY A 75 28.216 28.922 32.695 1.00 0.00 N ATOM 1222 CA GLY A 75 28.571 30.288 33.060 1.00 0.00 C ATOM 1223 C GLY A 75 30.078 30.503 32.958 1.00 0.00 C ATOM 1224 O GLY A 75 30.614 31.475 33.490 1.00 0.00 O ATOM 0 H GLY A 75 27.795 28.824 31.771 1.00 0.00 H new ATOM 0 HA2 GLY A 75 28.054 30.990 32.406 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.238 30.496 34.077 1.00 0.00 H new ATOM 1228 N GLY A 76 30.757 29.589 32.267 1.00 0.00 N ATOM 1229 CA GLY A 76 32.203 29.690 32.100 1.00 0.00 C ATOM 1230 C GLY A 76 32.669 28.876 30.899 1.00 0.00 C ATOM 1231 O GLY A 76 33.843 28.951 30.575 1.00 0.00 O ATOM 1232 OXT GLY A 76 31.844 28.188 30.319 1.00 0.00 O ATOM 0 H GLY A 76 30.333 28.778 31.818 1.00 0.00 H new ATOM 0 HA2 GLY A 76 32.486 30.734 31.969 1.00 0.00 H new ATOM 0 HA3 GLY A 76 32.703 29.335 33.001 1.00 0.00 H new TER 1236 GLY A 76