USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 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 55 THR OG1 : rot 113:sc= 0.833 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.731 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.59 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.0629 K(o=0.53,f=-1.4!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -163:sc= 0.463 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 75:sc= -2.41! USER MOD Set 4.1: A 7 THR OG1 : rot 133:sc= 0.451 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0.423 USER MOD Single : A 1 MET CE :methyl -166:sc= 0 (180deg=-0.164) USER MOD Single : A 1 MET N :NH3+ 143:sc= 1.28 (180deg=0.464) USER MOD Single : A 2 GLN : amide:sc= -2.87! C(o=-2.9!,f=-3.5!) USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= -0.121 (180deg=-0.772) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0407 USER MOD Single : A 20 SER OG : rot -39:sc= 0.823 USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0435) USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= -0.0846 (180deg=-0.694) USER MOD Single : A 31 GLN : amide:sc= -3.38! C(o=-3.4!,f=-5.8!) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0491) USER MOD Single : A 40 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.16) USER MOD Single : A 41 GLN : amide:sc= -2.49 K(o=-2.5,f=-7.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.922 K(o=-0.92,f=-4.7!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= -0.011 (180deg=-0.249) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.069 30.238 2.187 1.00 0.00 N ATOM 2 CA MET A 1 32.292 31.612 2.721 1.00 0.00 C ATOM 3 C MET A 1 33.133 31.526 3.989 1.00 0.00 C ATOM 4 O MET A 1 33.331 30.441 4.539 1.00 0.00 O ATOM 5 CB MET A 1 30.941 32.265 3.025 1.00 0.00 C ATOM 6 CG MET A 1 30.268 31.546 4.198 1.00 0.00 C ATOM 7 SD MET A 1 28.522 32.024 4.273 1.00 0.00 S ATOM 8 CE MET A 1 28.120 31.257 5.865 1.00 0.00 C ATOM 0 H1 MET A 1 31.109 30.170 1.793 1.00 0.00 H new ATOM 0 H2 MET A 1 32.764 30.039 1.440 1.00 0.00 H new ATOM 0 H3 MET A 1 32.178 29.545 2.955 1.00 0.00 H new ATOM 0 HA MET A 1 32.819 32.217 1.983 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.082 33.319 3.265 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.300 32.222 2.144 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.356 30.466 4.076 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.768 31.803 5.132 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.038 31.217 5.987 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.526 30.246 5.894 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.555 31.846 6.673 1.00 0.00 H new ATOM 20 N GLN A 2 33.628 32.673 4.453 1.00 0.00 N ATOM 21 CA GLN A 2 34.453 32.722 5.658 1.00 0.00 C ATOM 22 C GLN A 2 33.754 33.527 6.751 1.00 0.00 C ATOM 23 O GLN A 2 32.871 34.338 6.471 1.00 0.00 O ATOM 24 CB GLN A 2 35.792 33.379 5.322 1.00 0.00 C ATOM 25 CG GLN A 2 36.488 32.593 4.208 1.00 0.00 C ATOM 26 CD GLN A 2 35.799 32.857 2.874 1.00 0.00 C ATOM 27 OE1 GLN A 2 35.465 34.000 2.562 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.565 31.862 2.063 1.00 0.00 N ATOM 0 H GLN A 2 33.472 33.580 4.013 1.00 0.00 H new ATOM 0 HA GLN A 2 34.614 31.706 6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.633 34.410 5.008 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.425 33.410 6.209 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.537 32.883 4.148 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.464 31.527 4.434 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.843 30.916 2.323 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.105 32.031 1.169 1.00 0.00 H new ATOM 37 N ILE A 3 34.180 33.317 7.994 1.00 0.00 N ATOM 38 CA ILE A 3 33.615 34.045 9.127 1.00 0.00 C ATOM 39 C ILE A 3 34.617 34.101 10.262 1.00 0.00 C ATOM 40 O ILE A 3 35.665 33.466 10.205 1.00 0.00 O ATOM 41 CB ILE A 3 32.307 33.406 9.621 1.00 0.00 C ATOM 42 CG1 ILE A 3 32.510 31.893 9.851 1.00 0.00 C ATOM 43 CG2 ILE A 3 31.191 33.655 8.593 1.00 0.00 C ATOM 44 CD1 ILE A 3 31.162 31.162 9.829 1.00 0.00 C ATOM 0 H ILE A 3 34.912 32.651 8.242 1.00 0.00 H new ATOM 0 HA ILE A 3 33.388 35.056 8.787 1.00 0.00 H new ATOM 0 HB ILE A 3 32.018 33.860 10.569 1.00 0.00 H new ATOM 0 HG12 ILE A 3 33.164 31.486 9.080 1.00 0.00 H new ATOM 0 HG13 ILE A 3 33.005 31.728 10.808 1.00 0.00 H new ATOM 0 HG21 ILE A 3 30.264 33.201 8.945 1.00 0.00 H new ATOM 0 HG22 ILE A 3 31.045 34.728 8.467 1.00 0.00 H new ATOM 0 HG23 ILE A 3 31.472 33.213 7.637 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.323 30.096 9.993 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.521 31.557 10.617 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.682 31.312 8.862 1.00 0.00 H new ATOM 56 N PHE A 4 34.287 34.870 11.292 1.00 0.00 N ATOM 57 CA PHE A 4 35.169 35.021 12.451 1.00 0.00 C ATOM 58 C PHE A 4 34.551 34.379 13.682 1.00 0.00 C ATOM 59 O PHE A 4 33.354 34.532 13.937 1.00 0.00 O ATOM 60 CB PHE A 4 35.402 36.507 12.726 1.00 0.00 C ATOM 61 CG PHE A 4 36.088 37.146 11.542 1.00 0.00 C ATOM 62 CD1 PHE A 4 35.329 37.608 10.459 1.00 0.00 C ATOM 63 CD2 PHE A 4 37.481 37.285 11.531 1.00 0.00 C ATOM 64 CE1 PHE A 4 35.964 38.209 9.366 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.115 37.886 10.437 1.00 0.00 C ATOM 66 CZ PHE A 4 37.358 38.348 9.355 1.00 0.00 C ATOM 0 H PHE A 4 33.417 35.400 11.352 1.00 0.00 H new ATOM 0 HA PHE A 4 36.116 34.528 12.232 1.00 0.00 H new ATOM 0 HB2 PHE A 4 34.451 37.004 12.918 1.00 0.00 H new ATOM 0 HB3 PHE A 4 36.012 36.629 13.621 1.00 0.00 H new ATOM 0 HD1 PHE A 4 34.254 37.500 10.467 1.00 0.00 H new ATOM 0 HD2 PHE A 4 38.066 36.929 12.366 1.00 0.00 H new ATOM 0 HE1 PHE A 4 35.379 38.566 8.531 1.00 0.00 H new ATOM 0 HE2 PHE A 4 39.190 37.993 10.428 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.848 38.812 8.512 1.00 0.00 H new ATOM 76 N VAL A 5 35.375 33.672 14.459 1.00 0.00 N ATOM 77 CA VAL A 5 34.910 33.022 15.681 1.00 0.00 C ATOM 78 C VAL A 5 35.604 33.645 16.878 1.00 0.00 C ATOM 79 O VAL A 5 36.827 33.777 16.909 1.00 0.00 O ATOM 80 CB VAL A 5 35.193 31.517 15.622 1.00 0.00 C ATOM 81 CG1 VAL A 5 35.027 30.898 17.018 1.00 0.00 C ATOM 82 CG2 VAL A 5 34.192 30.861 14.664 1.00 0.00 C ATOM 0 H VAL A 5 36.367 33.537 14.262 1.00 0.00 H new ATOM 0 HA VAL A 5 33.834 33.164 15.778 1.00 0.00 H new ATOM 0 HB VAL A 5 36.213 31.354 15.274 1.00 0.00 H new ATOM 0 HG11 VAL A 5 35.230 29.828 16.968 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.726 31.368 17.710 1.00 0.00 H new ATOM 0 HG13 VAL A 5 34.007 31.058 17.368 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.385 29.789 14.614 1.00 0.00 H new ATOM 0 HG22 VAL A 5 33.178 31.031 15.025 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.301 31.295 13.670 1.00 0.00 H new ATOM 92 N LYS A 6 34.801 34.042 17.851 1.00 0.00 N ATOM 93 CA LYS A 6 35.315 34.681 19.061 1.00 0.00 C ATOM 94 C LYS A 6 35.152 33.772 20.272 1.00 0.00 C ATOM 95 O LYS A 6 34.075 33.227 20.508 1.00 0.00 O ATOM 96 CB LYS A 6 34.546 35.983 19.297 1.00 0.00 C ATOM 97 CG LYS A 6 34.923 37.029 18.232 1.00 0.00 C ATOM 98 CD LYS A 6 36.182 37.791 18.662 1.00 0.00 C ATOM 99 CE LYS A 6 36.491 38.889 17.647 1.00 0.00 C ATOM 100 NZ LYS A 6 37.586 39.742 18.184 1.00 0.00 N ATOM 0 H LYS A 6 33.787 33.935 17.831 1.00 0.00 H new ATOM 0 HA LYS A 6 36.378 34.884 18.927 1.00 0.00 H new ATOM 0 HB2 LYS A 6 33.474 35.791 19.264 1.00 0.00 H new ATOM 0 HB3 LYS A 6 34.770 36.370 20.291 1.00 0.00 H new ATOM 0 HG2 LYS A 6 35.095 36.538 17.274 1.00 0.00 H new ATOM 0 HG3 LYS A 6 34.098 37.727 18.089 1.00 0.00 H new ATOM 0 HD2 LYS A 6 36.035 38.227 19.650 1.00 0.00 H new ATOM 0 HD3 LYS A 6 37.026 37.105 18.738 1.00 0.00 H new ATOM 0 HE2 LYS A 6 36.787 38.450 16.694 1.00 0.00 H new ATOM 0 HE3 LYS A 6 35.602 39.490 17.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 37.614 40.641 17.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 37.415 39.933 19.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 38.495 39.249 18.074 1.00 0.00 H new ATOM 114 N THR A 7 36.231 33.614 21.045 1.00 0.00 N ATOM 115 CA THR A 7 36.197 32.771 22.244 1.00 0.00 C ATOM 116 C THR A 7 36.180 33.636 23.500 1.00 0.00 C ATOM 117 O THR A 7 36.221 34.867 23.426 1.00 0.00 O ATOM 118 CB THR A 7 37.412 31.841 22.277 1.00 0.00 C ATOM 119 OG1 THR A 7 38.577 32.591 22.592 1.00 0.00 O ATOM 120 CG2 THR A 7 37.586 31.170 20.914 1.00 0.00 C ATOM 0 H THR A 7 37.133 34.055 20.864 1.00 0.00 H new ATOM 0 HA THR A 7 35.289 32.169 22.213 1.00 0.00 H new ATOM 0 HB THR A 7 37.258 31.075 23.037 1.00 0.00 H new ATOM 0 HG1 THR A 7 39.088 32.125 23.286 1.00 0.00 H new ATOM 0 HG21 THR A 7 38.452 30.509 20.942 1.00 0.00 H new ATOM 0 HG22 THR A 7 36.694 30.590 20.678 1.00 0.00 H new ATOM 0 HG23 THR A 7 37.736 31.932 20.150 1.00 0.00 H new ATOM 128 N LEU A 8 36.136 32.992 24.663 1.00 0.00 N ATOM 129 CA LEU A 8 36.119 33.722 25.921 1.00 0.00 C ATOM 130 C LEU A 8 37.480 34.348 26.207 1.00 0.00 C ATOM 131 O LEU A 8 37.583 35.298 26.986 1.00 0.00 O ATOM 132 CB LEU A 8 35.732 32.782 27.065 1.00 0.00 C ATOM 133 CG LEU A 8 34.492 31.967 26.672 1.00 0.00 C ATOM 134 CD1 LEU A 8 34.078 31.066 27.842 1.00 0.00 C ATOM 135 CD2 LEU A 8 33.335 32.914 26.322 1.00 0.00 C ATOM 0 H LEU A 8 36.112 31.977 24.758 1.00 0.00 H new ATOM 0 HA LEU A 8 35.382 34.521 25.842 1.00 0.00 H new ATOM 0 HB2 LEU A 8 36.561 32.112 27.294 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.529 33.358 27.968 1.00 0.00 H new ATOM 0 HG LEU A 8 34.729 31.352 25.804 1.00 0.00 H new ATOM 0 HD11 LEU A 8 33.197 30.488 27.562 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.895 30.387 28.086 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.846 31.682 28.711 1.00 0.00 H new ATOM 0 HD21 LEU A 8 32.458 32.330 26.044 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.098 33.534 27.186 1.00 0.00 H new ATOM 0 HD23 LEU A 8 33.626 33.551 25.487 1.00 0.00 H new ATOM 147 N THR A 9 38.530 33.812 25.583 1.00 0.00 N ATOM 148 CA THR A 9 39.881 34.336 25.790 1.00 0.00 C ATOM 149 C THR A 9 40.166 35.507 24.853 1.00 0.00 C ATOM 150 O THR A 9 41.301 35.971 24.758 1.00 0.00 O ATOM 151 CB THR A 9 40.923 33.237 25.558 1.00 0.00 C ATOM 152 OG1 THR A 9 40.778 32.717 24.244 1.00 0.00 O ATOM 153 CG2 THR A 9 40.722 32.119 26.581 1.00 0.00 C ATOM 0 H THR A 9 38.473 33.024 24.937 1.00 0.00 H new ATOM 0 HA THR A 9 39.945 34.686 26.820 1.00 0.00 H new ATOM 0 HB THR A 9 41.924 33.653 25.672 1.00 0.00 H new ATOM 0 HG1 THR A 9 41.445 32.015 24.095 1.00 0.00 H new ATOM 0 HG21 THR A 9 41.463 31.337 26.416 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.837 32.522 27.587 1.00 0.00 H new ATOM 0 HG23 THR A 9 39.722 31.700 26.470 1.00 0.00 H new ATOM 161 N GLY A 10 39.129 35.999 24.175 1.00 0.00 N ATOM 162 CA GLY A 10 39.300 37.128 23.268 1.00 0.00 C ATOM 163 C GLY A 10 40.111 36.733 22.043 1.00 0.00 C ATOM 164 O GLY A 10 40.697 37.586 21.374 1.00 0.00 O ATOM 0 H GLY A 10 38.177 35.639 24.236 1.00 0.00 H new ATOM 0 HA2 GLY A 10 38.323 37.499 22.957 1.00 0.00 H new ATOM 0 HA3 GLY A 10 39.799 37.944 23.790 1.00 0.00 H new ATOM 168 N LYS A 11 40.132 35.438 21.739 1.00 0.00 N ATOM 169 CA LYS A 11 40.862 34.945 20.575 1.00 0.00 C ATOM 170 C LYS A 11 39.956 34.985 19.354 1.00 0.00 C ATOM 171 O LYS A 11 38.815 34.524 19.408 1.00 0.00 O ATOM 172 CB LYS A 11 41.327 33.504 20.818 1.00 0.00 C ATOM 173 CG LYS A 11 42.318 33.088 19.724 1.00 0.00 C ATOM 174 CD LYS A 11 42.932 31.731 20.083 1.00 0.00 C ATOM 175 CE LYS A 11 43.965 31.336 19.022 1.00 0.00 C ATOM 176 NZ LYS A 11 45.018 32.387 18.937 1.00 0.00 N ATOM 0 H LYS A 11 39.655 34.715 22.278 1.00 0.00 H new ATOM 0 HA LYS A 11 41.733 35.578 20.407 1.00 0.00 H new ATOM 0 HB2 LYS A 11 41.798 33.424 21.798 1.00 0.00 H new ATOM 0 HB3 LYS A 11 40.470 32.831 20.820 1.00 0.00 H new ATOM 0 HG2 LYS A 11 41.810 33.026 18.762 1.00 0.00 H new ATOM 0 HG3 LYS A 11 43.102 33.839 19.623 1.00 0.00 H new ATOM 0 HD2 LYS A 11 43.405 31.783 21.064 1.00 0.00 H new ATOM 0 HD3 LYS A 11 42.152 30.973 20.145 1.00 0.00 H new ATOM 0 HE2 LYS A 11 44.414 30.376 19.276 1.00 0.00 H new ATOM 0 HE3 LYS A 11 43.479 31.214 18.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 45.887 31.976 18.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 44.689 33.160 18.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 45.214 32.759 19.888 1.00 0.00 H new ATOM 190 N THR A 12 40.467 35.526 18.249 1.00 0.00 N ATOM 191 CA THR A 12 39.693 35.611 17.010 1.00 0.00 C ATOM 192 C THR A 12 40.361 34.779 15.933 1.00 0.00 C ATOM 193 O THR A 12 41.534 34.974 15.614 1.00 0.00 O ATOM 194 CB THR A 12 39.592 37.062 16.539 1.00 0.00 C ATOM 195 OG1 THR A 12 38.959 37.841 17.544 1.00 0.00 O ATOM 196 CG2 THR A 12 38.764 37.119 15.248 1.00 0.00 C ATOM 0 H THR A 12 41.410 35.911 18.185 1.00 0.00 H new ATOM 0 HA THR A 12 38.689 35.231 17.201 1.00 0.00 H new ATOM 0 HB THR A 12 40.590 37.457 16.350 1.00 0.00 H new ATOM 0 HG1 THR A 12 39.587 37.999 18.280 1.00 0.00 H new ATOM 0 HG21 THR A 12 38.690 38.152 14.909 1.00 0.00 H new ATOM 0 HG22 THR A 12 39.248 36.518 14.478 1.00 0.00 H new ATOM 0 HG23 THR A 12 37.765 36.727 15.439 1.00 0.00 H new ATOM 204 N ILE A 13 39.601 33.848 15.377 1.00 0.00 N ATOM 205 CA ILE A 13 40.115 32.975 14.325 1.00 0.00 C ATOM 206 C ILE A 13 39.114 32.877 13.187 1.00 0.00 C ATOM 207 O ILE A 13 37.903 32.835 13.408 1.00 0.00 O ATOM 208 CB ILE A 13 40.408 31.586 14.891 1.00 0.00 C ATOM 209 CG1 ILE A 13 41.177 30.761 13.848 1.00 0.00 C ATOM 210 CG2 ILE A 13 39.094 30.884 15.235 1.00 0.00 C ATOM 211 CD1 ILE A 13 42.596 31.321 13.645 1.00 0.00 C ATOM 0 H ILE A 13 38.629 33.675 15.633 1.00 0.00 H new ATOM 0 HA ILE A 13 41.042 33.400 13.939 1.00 0.00 H new ATOM 0 HB ILE A 13 41.011 31.682 15.794 1.00 0.00 H new ATOM 0 HG12 ILE A 13 41.234 29.721 14.171 1.00 0.00 H new ATOM 0 HG13 ILE A 13 40.638 30.771 12.901 1.00 0.00 H new ATOM 0 HG21 ILE A 13 39.305 29.894 15.638 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.552 31.470 15.977 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.487 30.787 14.335 1.00 0.00 H new ATOM 0 HD11 ILE A 13 43.121 30.721 12.902 1.00 0.00 H new ATOM 0 HD12 ILE A 13 42.534 32.353 13.300 1.00 0.00 H new ATOM 0 HD13 ILE A 13 43.139 31.287 14.589 1.00 0.00 H new ATOM 223 N THR A 14 39.627 32.848 11.963 1.00 0.00 N ATOM 224 CA THR A 14 38.769 32.758 10.785 1.00 0.00 C ATOM 225 C THR A 14 38.640 31.309 10.334 1.00 0.00 C ATOM 226 O THR A 14 39.613 30.554 10.321 1.00 0.00 O ATOM 227 CB THR A 14 39.336 33.622 9.651 1.00 0.00 C ATOM 228 OG1 THR A 14 40.755 33.546 9.667 1.00 0.00 O ATOM 229 CG2 THR A 14 38.900 35.081 9.852 1.00 0.00 C ATOM 0 H THR A 14 40.626 32.885 11.759 1.00 0.00 H new ATOM 0 HA THR A 14 37.778 33.129 11.045 1.00 0.00 H new ATOM 0 HB THR A 14 38.961 33.260 8.694 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.120 34.096 8.942 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.303 35.695 9.047 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.812 35.140 9.844 1.00 0.00 H new ATOM 0 HG23 THR A 14 39.276 35.445 10.808 1.00 0.00 H new ATOM 237 N LEU A 15 37.417 30.934 9.971 1.00 0.00 N ATOM 238 CA LEU A 15 37.115 29.577 9.518 1.00 0.00 C ATOM 239 C LEU A 15 36.470 29.624 8.132 1.00 0.00 C ATOM 240 O LEU A 15 35.729 30.557 7.808 1.00 0.00 O ATOM 241 CB LEU A 15 36.144 28.914 10.532 1.00 0.00 C ATOM 242 CG LEU A 15 36.838 27.797 11.329 1.00 0.00 C ATOM 243 CD1 LEU A 15 37.962 28.384 12.190 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.801 27.116 12.227 1.00 0.00 C ATOM 0 H LEU A 15 36.610 31.558 9.982 1.00 0.00 H new ATOM 0 HA LEU A 15 38.035 28.995 9.456 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.762 29.669 11.219 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.286 28.504 10.000 1.00 0.00 H new ATOM 0 HG LEU A 15 37.270 27.070 10.641 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.447 27.584 12.750 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.695 28.873 11.548 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.545 29.113 12.885 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.280 26.321 12.798 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.375 27.849 12.912 1.00 0.00 H new ATOM 0 HD23 LEU A 15 35.008 26.692 11.611 1.00 0.00 H new ATOM 256 N GLU A 16 36.728 28.592 7.334 1.00 0.00 N ATOM 257 CA GLU A 16 36.141 28.491 5.993 1.00 0.00 C ATOM 258 C GLU A 16 35.034 27.443 6.025 1.00 0.00 C ATOM 259 O GLU A 16 35.278 26.286 6.368 1.00 0.00 O ATOM 260 CB GLU A 16 37.203 28.099 4.962 1.00 0.00 C ATOM 261 CG GLU A 16 36.536 27.870 3.601 1.00 0.00 C ATOM 262 CD GLU A 16 37.597 27.792 2.505 1.00 0.00 C ATOM 263 OE1 GLU A 16 38.689 27.334 2.796 1.00 0.00 O ATOM 264 OE2 GLU A 16 37.300 28.191 1.390 1.00 0.00 O ATOM 0 H GLU A 16 37.337 27.814 7.587 1.00 0.00 H new ATOM 0 HA GLU A 16 35.734 29.460 5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.955 28.884 4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.719 27.194 5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.955 26.948 3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.840 28.681 3.387 1.00 0.00 H new ATOM 271 N VAL A 17 33.818 27.854 5.680 1.00 0.00 N ATOM 272 CA VAL A 17 32.681 26.930 5.697 1.00 0.00 C ATOM 273 C VAL A 17 31.713 27.206 4.552 1.00 0.00 C ATOM 274 O VAL A 17 31.730 28.276 3.944 1.00 0.00 O ATOM 275 CB VAL A 17 31.954 27.014 7.055 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.975 27.255 8.169 1.00 0.00 C ATOM 277 CG2 VAL A 17 30.950 28.170 7.056 1.00 0.00 C ATOM 0 H VAL A 17 33.592 28.805 5.389 1.00 0.00 H new ATOM 0 HA VAL A 17 33.066 25.920 5.560 1.00 0.00 H new ATOM 0 HB VAL A 17 31.426 26.075 7.221 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.460 27.314 9.128 1.00 0.00 H new ATOM 0 HG12 VAL A 17 33.690 26.433 8.191 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.503 28.190 7.982 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.447 28.214 8.022 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.475 29.108 6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.212 28.012 6.269 1.00 0.00 H new ATOM 287 N GLU A 18 30.846 26.230 4.287 1.00 0.00 N ATOM 288 CA GLU A 18 29.840 26.354 3.240 1.00 0.00 C ATOM 289 C GLU A 18 28.514 26.765 3.882 1.00 0.00 C ATOM 290 O GLU A 18 28.258 26.421 5.037 1.00 0.00 O ATOM 291 CB GLU A 18 29.679 25.007 2.520 1.00 0.00 C ATOM 292 CG GLU A 18 31.052 24.361 2.336 1.00 0.00 C ATOM 293 CD GLU A 18 30.932 23.150 1.417 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.815 22.723 1.174 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.959 22.667 0.968 1.00 0.00 O ATOM 0 H GLU A 18 30.822 25.341 4.787 1.00 0.00 H new ATOM 0 HA GLU A 18 30.146 27.107 2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 18 29.030 24.349 3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.202 25.155 1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.750 25.083 1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.454 24.058 3.303 1.00 0.00 H new ATOM 302 N PRO A 19 27.675 27.488 3.188 1.00 0.00 N ATOM 303 CA PRO A 19 26.365 27.932 3.747 1.00 0.00 C ATOM 304 C PRO A 19 25.467 26.744 4.080 1.00 0.00 C ATOM 305 O PRO A 19 24.461 26.891 4.774 1.00 0.00 O ATOM 306 CB PRO A 19 25.763 28.803 2.629 1.00 0.00 C ATOM 307 CG PRO A 19 26.449 28.348 1.382 1.00 0.00 C ATOM 308 CD PRO A 19 27.861 27.963 1.807 1.00 0.00 C ATOM 0 HA PRO A 19 26.473 28.475 4.686 1.00 0.00 H new ATOM 0 HB2 PRO A 19 24.684 28.667 2.559 1.00 0.00 H new ATOM 0 HB3 PRO A 19 25.940 29.863 2.814 1.00 0.00 H new ATOM 0 HG2 PRO A 19 25.929 27.500 0.936 1.00 0.00 H new ATOM 0 HG3 PRO A 19 26.467 29.140 0.634 1.00 0.00 H new ATOM 0 HD2 PRO A 19 28.277 27.186 1.166 1.00 0.00 H new ATOM 0 HD3 PRO A 19 28.542 28.813 1.761 1.00 0.00 H new ATOM 316 N SER A 20 25.827 25.566 3.567 1.00 0.00 N ATOM 317 CA SER A 20 25.040 24.355 3.793 1.00 0.00 C ATOM 318 C SER A 20 25.737 23.410 4.771 1.00 0.00 C ATOM 319 O SER A 20 25.299 22.275 4.960 1.00 0.00 O ATOM 320 CB SER A 20 24.836 23.636 2.461 1.00 0.00 C ATOM 321 OG SER A 20 23.936 22.552 2.642 1.00 0.00 O ATOM 0 H SER A 20 26.658 25.426 2.993 1.00 0.00 H new ATOM 0 HA SER A 20 24.082 24.645 4.224 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.442 24.329 1.718 1.00 0.00 H new ATOM 0 HB3 SER A 20 25.791 23.271 2.082 1.00 0.00 H new ATOM 0 HG SER A 20 24.122 22.112 3.498 1.00 0.00 H new ATOM 327 N ASP A 21 26.814 23.874 5.399 1.00 0.00 N ATOM 328 CA ASP A 21 27.534 23.048 6.355 1.00 0.00 C ATOM 329 C ASP A 21 26.647 22.742 7.556 1.00 0.00 C ATOM 330 O ASP A 21 25.814 23.559 7.950 1.00 0.00 O ATOM 331 CB ASP A 21 28.807 23.784 6.806 1.00 0.00 C ATOM 332 CG ASP A 21 29.923 23.608 5.775 1.00 0.00 C ATOM 333 OD1 ASP A 21 29.716 22.888 4.815 1.00 0.00 O ATOM 334 OD2 ASP A 21 30.975 24.191 5.966 1.00 0.00 O ATOM 0 H ASP A 21 27.202 24.808 5.263 1.00 0.00 H new ATOM 0 HA ASP A 21 27.812 22.106 5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 21 28.592 24.844 6.941 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.133 23.400 7.772 1.00 0.00 H new ATOM 339 N THR A 22 26.832 21.558 8.138 1.00 0.00 N ATOM 340 CA THR A 22 26.045 21.155 9.300 1.00 0.00 C ATOM 341 C THR A 22 26.738 21.604 10.575 1.00 0.00 C ATOM 342 O THR A 22 27.966 21.688 10.626 1.00 0.00 O ATOM 343 CB THR A 22 25.872 19.634 9.321 1.00 0.00 C ATOM 344 OG1 THR A 22 27.119 19.019 9.610 1.00 0.00 O ATOM 345 CG2 THR A 22 25.367 19.152 7.961 1.00 0.00 C ATOM 0 H THR A 22 27.514 20.867 7.826 1.00 0.00 H new ATOM 0 HA THR A 22 25.063 21.624 9.236 1.00 0.00 H new ATOM 0 HB THR A 22 25.147 19.365 10.089 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.008 18.045 9.625 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.245 18.069 7.981 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.408 19.621 7.742 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.087 19.422 7.189 1.00 0.00 H new ATOM 353 N ILE A 23 25.951 21.890 11.602 1.00 0.00 N ATOM 354 CA ILE A 23 26.522 22.327 12.867 1.00 0.00 C ATOM 355 C ILE A 23 27.608 21.354 13.305 1.00 0.00 C ATOM 356 O ILE A 23 28.504 21.709 14.065 1.00 0.00 O ATOM 357 CB ILE A 23 25.435 22.408 13.942 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.202 23.132 13.383 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.968 23.176 15.154 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.616 24.458 12.731 1.00 0.00 C ATOM 0 H ILE A 23 24.933 21.829 11.586 1.00 0.00 H new ATOM 0 HA ILE A 23 26.957 23.317 12.732 1.00 0.00 H new ATOM 0 HB ILE A 23 25.155 21.398 14.243 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.701 22.499 12.651 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.487 23.320 14.184 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.193 23.233 15.918 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.839 22.660 15.558 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.252 24.183 14.850 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.733 24.962 12.338 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.097 25.094 13.474 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.313 24.261 11.917 1.00 0.00 H new ATOM 372 N GLU A 24 27.534 20.130 12.797 1.00 0.00 N ATOM 373 CA GLU A 24 28.526 19.116 13.127 1.00 0.00 C ATOM 374 C GLU A 24 29.816 19.376 12.350 1.00 0.00 C ATOM 375 O GLU A 24 30.890 19.514 12.937 1.00 0.00 O ATOM 376 CB GLU A 24 27.977 17.728 12.790 1.00 0.00 C ATOM 377 CG GLU A 24 28.925 16.655 13.327 1.00 0.00 C ATOM 378 CD GLU A 24 28.350 15.269 13.055 1.00 0.00 C ATOM 379 OE1 GLU A 24 28.299 14.886 11.899 1.00 0.00 O ATOM 380 OE2 GLU A 24 27.966 14.612 14.009 1.00 0.00 O ATOM 0 H GLU A 24 26.802 19.817 12.159 1.00 0.00 H new ATOM 0 HA GLU A 24 28.745 19.161 14.194 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.986 17.603 13.226 1.00 0.00 H new ATOM 0 HB3 GLU A 24 27.866 17.622 11.711 1.00 0.00 H new ATOM 0 HG2 GLU A 24 29.902 16.752 12.854 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.074 16.792 14.398 1.00 0.00 H new ATOM 387 N ASN A 25 29.701 19.438 11.029 1.00 0.00 N ATOM 388 CA ASN A 25 30.853 19.682 10.183 1.00 0.00 C ATOM 389 C ASN A 25 31.592 20.938 10.639 1.00 0.00 C ATOM 390 O ASN A 25 32.822 20.965 10.686 1.00 0.00 O ATOM 391 CB ASN A 25 30.388 19.856 8.734 1.00 0.00 C ATOM 392 CG ASN A 25 30.048 18.502 8.119 1.00 0.00 C ATOM 393 OD1 ASN A 25 30.508 17.466 8.600 1.00 0.00 O ATOM 394 ND2 ASN A 25 29.266 18.450 7.076 1.00 0.00 N ATOM 0 H ASN A 25 28.822 19.322 10.525 1.00 0.00 H new ATOM 0 HA ASN A 25 31.532 18.833 10.254 1.00 0.00 H new ATOM 0 HB2 ASN A 25 29.514 20.507 8.701 1.00 0.00 H new ATOM 0 HB3 ASN A 25 31.170 20.342 8.150 1.00 0.00 H new ATOM 0 HD21 ASN A 25 29.034 17.549 6.657 1.00 0.00 H new ATOM 0 HD22 ASN A 25 28.886 19.310 6.680 1.00 0.00 H new ATOM 401 N VAL A 26 30.838 21.979 10.971 1.00 0.00 N ATOM 402 CA VAL A 26 31.446 23.226 11.415 1.00 0.00 C ATOM 403 C VAL A 26 32.163 23.025 12.748 1.00 0.00 C ATOM 404 O VAL A 26 33.252 23.556 12.963 1.00 0.00 O ATOM 405 CB VAL A 26 30.383 24.326 11.536 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.059 25.637 11.928 1.00 0.00 C ATOM 407 CG2 VAL A 26 29.679 24.507 10.187 1.00 0.00 C ATOM 0 H VAL A 26 29.818 21.985 10.942 1.00 0.00 H new ATOM 0 HA VAL A 26 32.181 23.537 10.673 1.00 0.00 H new ATOM 0 HB VAL A 26 29.653 24.045 12.295 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.308 26.422 12.015 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.567 25.513 12.884 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.786 25.914 11.165 1.00 0.00 H new ATOM 0 HG21 VAL A 26 28.924 25.288 10.273 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.410 24.791 9.430 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.201 23.571 9.897 1.00 0.00 H new ATOM 417 N LYS A 27 31.555 22.245 13.638 1.00 0.00 N ATOM 418 CA LYS A 27 32.166 21.976 14.931 1.00 0.00 C ATOM 419 C LYS A 27 33.468 21.233 14.706 1.00 0.00 C ATOM 420 O LYS A 27 34.471 21.476 15.378 1.00 0.00 O ATOM 421 CB LYS A 27 31.219 21.148 15.811 1.00 0.00 C ATOM 422 CG LYS A 27 30.178 22.068 16.458 1.00 0.00 C ATOM 423 CD LYS A 27 29.042 21.228 17.047 1.00 0.00 C ATOM 424 CE LYS A 27 28.197 22.091 17.990 1.00 0.00 C ATOM 425 NZ LYS A 27 28.889 22.211 19.305 1.00 0.00 N ATOM 0 H LYS A 27 30.652 21.795 13.489 1.00 0.00 H new ATOM 0 HA LYS A 27 32.364 22.916 15.447 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.722 20.386 15.210 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.786 20.626 16.582 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.644 22.667 17.241 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.783 22.763 15.717 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.419 20.830 16.247 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.451 20.374 17.588 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.043 23.079 17.556 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.212 21.645 18.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 28.253 22.664 19.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.151 21.264 19.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 29.747 22.788 19.194 1.00 0.00 H new ATOM 439 N ALA A 28 33.440 20.331 13.736 1.00 0.00 N ATOM 440 CA ALA A 28 34.611 19.549 13.389 1.00 0.00 C ATOM 441 C ALA A 28 35.733 20.469 12.913 1.00 0.00 C ATOM 442 O ALA A 28 36.900 20.264 13.248 1.00 0.00 O ATOM 443 CB ALA A 28 34.232 18.563 12.289 1.00 0.00 C ATOM 0 H ALA A 28 32.614 20.124 13.175 1.00 0.00 H new ATOM 0 HA ALA A 28 34.965 19.003 14.264 1.00 0.00 H new ATOM 0 HB1 ALA A 28 35.104 17.968 12.018 1.00 0.00 H new ATOM 0 HB2 ALA A 28 33.440 17.905 12.647 1.00 0.00 H new ATOM 0 HB3 ALA A 28 33.880 19.111 11.415 1.00 0.00 H new ATOM 449 N LYS A 29 35.364 21.498 12.151 1.00 0.00 N ATOM 450 CA LYS A 29 36.344 22.461 11.656 1.00 0.00 C ATOM 451 C LYS A 29 36.981 23.193 12.834 1.00 0.00 C ATOM 452 O LYS A 29 38.188 23.454 12.852 1.00 0.00 O ATOM 453 CB LYS A 29 35.674 23.487 10.728 1.00 0.00 C ATOM 454 CG LYS A 29 35.293 22.828 9.399 1.00 0.00 C ATOM 455 CD LYS A 29 34.664 23.873 8.468 1.00 0.00 C ATOM 456 CE LYS A 29 34.283 23.210 7.142 1.00 0.00 C ATOM 457 NZ LYS A 29 33.294 22.126 7.395 1.00 0.00 N ATOM 0 H LYS A 29 34.403 21.685 11.866 1.00 0.00 H new ATOM 0 HA LYS A 29 37.107 21.921 11.095 1.00 0.00 H new ATOM 0 HB2 LYS A 29 34.785 23.896 11.208 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.351 24.322 10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.176 22.394 8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.591 22.013 9.574 1.00 0.00 H new ATOM 0 HD2 LYS A 29 33.781 24.309 8.936 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.366 24.688 8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 29 33.862 23.950 6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 29 35.171 22.802 6.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 32.774 21.919 6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 33.791 21.270 7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 32.625 22.431 8.130 1.00 0.00 H new ATOM 471 N ILE A 30 36.153 23.504 13.826 1.00 0.00 N ATOM 472 CA ILE A 30 36.619 24.192 15.012 1.00 0.00 C ATOM 473 C ILE A 30 37.546 23.290 15.821 1.00 0.00 C ATOM 474 O ILE A 30 38.629 23.706 16.223 1.00 0.00 O ATOM 475 CB ILE A 30 35.414 24.618 15.858 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.683 25.762 15.144 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.887 25.095 17.233 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.361 26.060 15.857 1.00 0.00 C ATOM 0 H ILE A 30 35.156 23.288 13.827 1.00 0.00 H new ATOM 0 HA ILE A 30 37.181 25.078 14.716 1.00 0.00 H new ATOM 0 HB ILE A 30 34.741 23.770 15.987 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.309 26.654 15.132 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.493 25.492 14.105 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.026 25.396 17.830 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.413 24.285 17.738 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.560 25.944 17.112 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.847 26.873 15.345 1.00 0.00 H new ATOM 0 HD12 ILE A 30 32.733 25.169 15.846 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.561 26.350 16.889 1.00 0.00 H new ATOM 490 N GLN A 31 37.113 22.060 16.062 1.00 0.00 N ATOM 491 CA GLN A 31 37.919 21.122 16.835 1.00 0.00 C ATOM 492 C GLN A 31 39.258 20.872 16.149 1.00 0.00 C ATOM 493 O GLN A 31 40.304 20.849 16.795 1.00 0.00 O ATOM 494 CB GLN A 31 37.176 19.789 16.990 1.00 0.00 C ATOM 495 CG GLN A 31 37.911 18.893 17.996 1.00 0.00 C ATOM 496 CD GLN A 31 39.148 18.278 17.348 1.00 0.00 C ATOM 497 OE1 GLN A 31 39.182 18.084 16.133 1.00 0.00 O ATOM 498 NE2 GLN A 31 40.171 17.955 18.091 1.00 0.00 N ATOM 0 H GLN A 31 36.219 21.690 15.738 1.00 0.00 H new ATOM 0 HA GLN A 31 38.097 21.558 17.818 1.00 0.00 H new ATOM 0 HB2 GLN A 31 36.156 19.969 17.328 1.00 0.00 H new ATOM 0 HB3 GLN A 31 37.108 19.287 16.025 1.00 0.00 H new ATOM 0 HG2 GLN A 31 38.201 19.477 18.870 1.00 0.00 H new ATOM 0 HG3 GLN A 31 37.245 18.105 18.346 1.00 0.00 H new ATOM 0 HE21 GLN A 31 40.141 18.116 19.098 1.00 0.00 H new ATOM 0 HE22 GLN A 31 41.000 17.541 17.665 1.00 0.00 H new ATOM 507 N ASP A 32 39.213 20.664 14.841 1.00 0.00 N ATOM 508 CA ASP A 32 40.426 20.389 14.082 1.00 0.00 C ATOM 509 C ASP A 32 41.461 21.502 14.243 1.00 0.00 C ATOM 510 O ASP A 32 42.656 21.228 14.356 1.00 0.00 O ATOM 511 CB ASP A 32 40.080 20.224 12.602 1.00 0.00 C ATOM 512 CG ASP A 32 39.205 18.990 12.404 1.00 0.00 C ATOM 513 OD1 ASP A 32 39.214 18.135 13.274 1.00 0.00 O ATOM 514 OD2 ASP A 32 38.536 18.919 11.386 1.00 0.00 O ATOM 0 H ASP A 32 38.357 20.680 14.286 1.00 0.00 H new ATOM 0 HA ASP A 32 40.860 19.468 14.471 1.00 0.00 H new ATOM 0 HB2 ASP A 32 39.559 21.111 12.241 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.994 20.130 12.015 1.00 0.00 H new ATOM 519 N LYS A 33 41.011 22.757 14.224 1.00 0.00 N ATOM 520 CA LYS A 33 41.937 23.890 14.338 1.00 0.00 C ATOM 521 C LYS A 33 42.247 24.268 15.794 1.00 0.00 C ATOM 522 O LYS A 33 43.371 24.669 16.101 1.00 0.00 O ATOM 523 CB LYS A 33 41.357 25.105 13.613 1.00 0.00 C ATOM 524 CG LYS A 33 41.119 24.757 12.141 1.00 0.00 C ATOM 525 CD LYS A 33 40.686 26.011 11.381 1.00 0.00 C ATOM 526 CE LYS A 33 40.429 25.660 9.914 1.00 0.00 C ATOM 527 NZ LYS A 33 40.242 26.913 9.129 1.00 0.00 N ATOM 0 H LYS A 33 40.028 23.015 14.132 1.00 0.00 H new ATOM 0 HA LYS A 33 42.875 23.578 13.878 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.421 25.409 14.082 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.042 25.950 13.692 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.029 24.349 11.701 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.352 23.987 12.058 1.00 0.00 H new ATOM 0 HD2 LYS A 33 39.784 26.427 11.829 1.00 0.00 H new ATOM 0 HD3 LYS A 33 41.459 26.776 11.452 1.00 0.00 H new ATOM 0 HE2 LYS A 33 41.267 25.089 9.513 1.00 0.00 H new ATOM 0 HE3 LYS A 33 39.544 25.030 9.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.791 26.689 8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 39.637 27.570 9.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 41.167 27.356 8.957 1.00 0.00 H new ATOM 541 N GLU A 34 41.256 24.179 16.684 1.00 0.00 N ATOM 542 CA GLU A 34 41.463 24.561 18.093 1.00 0.00 C ATOM 543 C GLU A 34 41.668 23.348 19.005 1.00 0.00 C ATOM 544 O GLU A 34 42.024 23.502 20.174 1.00 0.00 O ATOM 545 CB GLU A 34 40.264 25.369 18.591 1.00 0.00 C ATOM 546 CG GLU A 34 39.951 26.488 17.594 1.00 0.00 C ATOM 547 CD GLU A 34 38.942 27.459 18.200 1.00 0.00 C ATOM 548 OE1 GLU A 34 38.470 27.186 19.291 1.00 0.00 O ATOM 549 OE2 GLU A 34 38.656 28.459 17.563 1.00 0.00 O ATOM 0 H GLU A 34 40.315 23.852 16.465 1.00 0.00 H new ATOM 0 HA GLU A 34 42.372 25.162 18.133 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.397 24.719 18.708 1.00 0.00 H new ATOM 0 HB3 GLU A 34 40.479 25.792 19.572 1.00 0.00 H new ATOM 0 HG2 GLU A 34 40.866 27.019 17.331 1.00 0.00 H new ATOM 0 HG3 GLU A 34 39.552 26.064 16.672 1.00 0.00 H new ATOM 556 N GLY A 35 41.480 22.146 18.470 1.00 0.00 N ATOM 557 CA GLY A 35 41.687 20.926 19.253 1.00 0.00 C ATOM 558 C GLY A 35 40.684 20.784 20.401 1.00 0.00 C ATOM 559 O GLY A 35 40.824 19.897 21.243 1.00 0.00 O ATOM 0 H GLY A 35 41.187 21.987 17.506 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.607 20.060 18.596 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.699 20.926 19.658 1.00 0.00 H new ATOM 563 N ILE A 36 39.674 21.651 20.439 1.00 0.00 N ATOM 564 CA ILE A 36 38.668 21.594 21.494 1.00 0.00 C ATOM 565 C ILE A 36 37.521 20.652 21.089 1.00 0.00 C ATOM 566 O ILE A 36 36.787 20.953 20.144 1.00 0.00 O ATOM 567 CB ILE A 36 38.116 22.997 21.731 1.00 0.00 C ATOM 568 CG1 ILE A 36 39.275 23.991 21.863 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.290 23.008 23.010 1.00 0.00 C ATOM 570 CD1 ILE A 36 40.279 23.509 22.920 1.00 0.00 C ATOM 0 H ILE A 36 39.532 22.395 19.756 1.00 0.00 H new ATOM 0 HA ILE A 36 39.127 21.214 22.407 1.00 0.00 H new ATOM 0 HB ILE A 36 37.487 23.285 20.889 1.00 0.00 H new ATOM 0 HG12 ILE A 36 39.776 24.104 20.902 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.890 24.973 22.139 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.896 24.010 23.180 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.463 22.304 22.915 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.919 22.718 23.852 1.00 0.00 H new ATOM 0 HD11 ILE A 36 41.095 24.227 23.000 1.00 0.00 H new ATOM 0 HD12 ILE A 36 39.778 23.420 23.884 1.00 0.00 H new ATOM 0 HD13 ILE A 36 40.678 22.538 22.627 1.00 0.00 H new ATOM 582 N PRO A 37 37.334 19.531 21.762 1.00 0.00 N ATOM 583 CA PRO A 37 36.238 18.576 21.413 1.00 0.00 C ATOM 584 C PRO A 37 34.910 19.299 21.145 1.00 0.00 C ATOM 585 O PRO A 37 34.687 20.398 21.653 1.00 0.00 O ATOM 586 CB PRO A 37 36.140 17.677 22.653 1.00 0.00 C ATOM 587 CG PRO A 37 37.523 17.663 23.224 1.00 0.00 C ATOM 588 CD PRO A 37 38.133 19.035 22.905 1.00 0.00 C ATOM 0 HA PRO A 37 36.445 18.022 20.497 1.00 0.00 H new ATOM 0 HB2 PRO A 37 35.420 18.070 23.371 1.00 0.00 H new ATOM 0 HB3 PRO A 37 35.811 16.672 22.388 1.00 0.00 H new ATOM 0 HG2 PRO A 37 37.498 17.489 24.300 1.00 0.00 H new ATOM 0 HG3 PRO A 37 38.117 16.861 22.785 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.067 19.709 23.759 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.189 18.951 22.646 1.00 0.00 H new ATOM 596 N PRO A 38 34.034 18.714 20.361 1.00 0.00 N ATOM 597 CA PRO A 38 32.715 19.333 20.025 1.00 0.00 C ATOM 598 C PRO A 38 31.725 19.263 21.186 1.00 0.00 C ATOM 599 O PRO A 38 30.804 20.074 21.280 1.00 0.00 O ATOM 600 CB PRO A 38 32.234 18.507 18.829 1.00 0.00 C ATOM 601 CG PRO A 38 32.820 17.159 19.061 1.00 0.00 C ATOM 602 CD PRO A 38 34.188 17.399 19.707 1.00 0.00 C ATOM 0 HA PRO A 38 32.800 20.398 19.808 1.00 0.00 H new ATOM 0 HB2 PRO A 38 31.146 18.466 18.784 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.576 18.934 17.886 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.181 16.562 19.712 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.922 16.611 18.124 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.434 16.619 20.427 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.986 17.411 18.965 1.00 0.00 H new ATOM 610 N ASP A 39 31.921 18.287 22.068 1.00 0.00 N ATOM 611 CA ASP A 39 31.038 18.121 23.216 1.00 0.00 C ATOM 612 C ASP A 39 31.446 19.046 24.357 1.00 0.00 C ATOM 613 O ASP A 39 30.716 19.192 25.339 1.00 0.00 O ATOM 614 CB ASP A 39 31.073 16.671 23.701 1.00 0.00 C ATOM 615 CG ASP A 39 30.085 16.484 24.848 1.00 0.00 C ATOM 616 OD1 ASP A 39 28.898 16.645 24.614 1.00 0.00 O ATOM 617 OD2 ASP A 39 30.530 16.183 25.944 1.00 0.00 O ATOM 0 H ASP A 39 32.677 17.605 22.010 1.00 0.00 H new ATOM 0 HA ASP A 39 30.026 18.378 22.902 1.00 0.00 H new ATOM 0 HB2 ASP A 39 30.823 15.998 22.881 1.00 0.00 H new ATOM 0 HB3 ASP A 39 32.079 16.413 24.030 1.00 0.00 H new ATOM 622 N GLN A 40 32.620 19.669 24.234 1.00 0.00 N ATOM 623 CA GLN A 40 33.120 20.578 25.267 1.00 0.00 C ATOM 624 C GLN A 40 32.744 22.023 24.955 1.00 0.00 C ATOM 625 O GLN A 40 32.929 22.912 25.790 1.00 0.00 O ATOM 626 CB GLN A 40 34.648 20.470 25.349 1.00 0.00 C ATOM 627 CG GLN A 40 35.041 19.166 26.044 1.00 0.00 C ATOM 628 CD GLN A 40 34.722 19.254 27.532 1.00 0.00 C ATOM 629 OE1 GLN A 40 33.861 18.527 28.027 1.00 0.00 O ATOM 630 NE2 GLN A 40 35.365 20.110 28.278 1.00 0.00 N ATOM 0 H GLN A 40 33.241 19.561 23.432 1.00 0.00 H new ATOM 0 HA GLN A 40 32.667 20.294 26.217 1.00 0.00 H new ATOM 0 HB2 GLN A 40 35.078 20.503 24.348 1.00 0.00 H new ATOM 0 HB3 GLN A 40 35.053 21.321 25.897 1.00 0.00 H new ATOM 0 HG2 GLN A 40 34.504 18.329 25.597 1.00 0.00 H new ATOM 0 HG3 GLN A 40 36.105 18.974 25.902 1.00 0.00 H new ATOM 0 HE21 GLN A 40 36.078 20.711 27.865 1.00 0.00 H new ATOM 0 HE22 GLN A 40 35.155 20.178 29.274 1.00 0.00 H new ATOM 639 N GLN A 41 32.234 22.261 23.745 1.00 0.00 N ATOM 640 CA GLN A 41 31.864 23.617 23.329 1.00 0.00 C ATOM 641 C GLN A 41 30.447 23.677 22.771 1.00 0.00 C ATOM 642 O GLN A 41 29.897 22.679 22.308 1.00 0.00 O ATOM 643 CB GLN A 41 32.840 24.106 22.257 1.00 0.00 C ATOM 644 CG GLN A 41 32.844 23.126 21.082 1.00 0.00 C ATOM 645 CD GLN A 41 33.956 23.488 20.107 1.00 0.00 C ATOM 646 OE1 GLN A 41 33.774 24.354 19.250 1.00 0.00 O ATOM 647 NE2 GLN A 41 35.107 22.879 20.188 1.00 0.00 N ATOM 0 H GLN A 41 32.069 21.541 23.042 1.00 0.00 H new ATOM 0 HA GLN A 41 31.908 24.255 24.212 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.552 25.100 21.914 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.843 24.192 22.676 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.986 22.109 21.447 1.00 0.00 H new ATOM 0 HG3 GLN A 41 31.880 23.151 20.573 1.00 0.00 H new ATOM 0 HE21 GLN A 41 35.256 22.162 20.898 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.858 23.120 19.541 1.00 0.00 H new ATOM 656 N ARG A 42 29.884 24.882 22.809 1.00 0.00 N ATOM 657 CA ARG A 42 28.538 25.144 22.296 1.00 0.00 C ATOM 658 C ARG A 42 28.589 26.387 21.410 1.00 0.00 C ATOM 659 O ARG A 42 29.279 27.354 21.737 1.00 0.00 O ATOM 660 CB ARG A 42 27.561 25.364 23.459 1.00 0.00 C ATOM 661 CG ARG A 42 27.186 24.012 24.109 1.00 0.00 C ATOM 662 CD ARG A 42 25.925 23.433 23.447 1.00 0.00 C ATOM 663 NE ARG A 42 25.874 23.805 22.038 1.00 0.00 N ATOM 664 CZ ARG A 42 25.086 23.159 21.184 1.00 0.00 C ATOM 665 NH1 ARG A 42 25.064 23.507 19.926 1.00 0.00 N ATOM 666 NH2 ARG A 42 24.332 22.181 21.603 1.00 0.00 N ATOM 0 H ARG A 42 30.346 25.705 23.196 1.00 0.00 H new ATOM 0 HA ARG A 42 28.191 24.289 21.716 1.00 0.00 H new ATOM 0 HB2 ARG A 42 28.013 26.020 24.203 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.662 25.863 23.098 1.00 0.00 H new ATOM 0 HG2 ARG A 42 28.013 23.310 24.007 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.014 24.149 25.177 1.00 0.00 H new ATOM 0 HD2 ARG A 42 25.922 22.347 23.543 1.00 0.00 H new ATOM 0 HD3 ARG A 42 25.036 23.801 23.959 1.00 0.00 H new ATOM 0 HE ARG A 42 26.453 24.574 21.702 1.00 0.00 H new ATOM 0 HH11 ARG A 42 25.651 24.274 19.599 1.00 0.00 H new ATOM 0 HH12 ARG A 42 24.460 23.012 19.270 1.00 0.00 H new ATOM 0 HH21 ARG A 42 24.347 21.911 22.587 1.00 0.00 H new ATOM 0 HH22 ARG A 42 23.728 21.686 20.947 1.00 0.00 H new ATOM 680 N LEU A 43 27.872 26.366 20.286 1.00 0.00 N ATOM 681 CA LEU A 43 27.863 27.510 19.365 1.00 0.00 C ATOM 682 C LEU A 43 26.510 28.214 19.394 1.00 0.00 C ATOM 683 O LEU A 43 25.465 27.575 19.249 1.00 0.00 O ATOM 684 CB LEU A 43 28.158 27.025 17.941 1.00 0.00 C ATOM 685 CG LEU A 43 29.409 26.137 17.939 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.636 25.586 16.529 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.634 26.958 18.368 1.00 0.00 C ATOM 0 H LEU A 43 27.294 25.579 19.991 1.00 0.00 H new ATOM 0 HA LEU A 43 28.631 28.217 19.680 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.305 26.467 17.554 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.307 27.879 17.280 1.00 0.00 H new ATOM 0 HG LEU A 43 29.266 25.314 18.639 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.524 24.954 16.524 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.771 24.997 16.225 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.775 26.413 15.833 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.518 26.321 18.364 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.779 27.785 17.673 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.475 27.352 19.372 1.00 0.00 H new ATOM 699 N ILE A 44 26.531 29.538 19.595 1.00 0.00 N ATOM 700 CA ILE A 44 25.295 30.327 19.655 1.00 0.00 C ATOM 701 C ILE A 44 25.345 31.519 18.695 1.00 0.00 C ATOM 702 O ILE A 44 26.393 32.141 18.498 1.00 0.00 O ATOM 703 CB ILE A 44 25.072 30.827 21.086 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.381 29.684 22.064 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.616 31.281 21.252 1.00 0.00 C ATOM 706 CD1 ILE A 44 24.865 30.030 23.465 1.00 0.00 C ATOM 0 H ILE A 44 27.385 30.082 19.718 1.00 0.00 H new ATOM 0 HA ILE A 44 24.468 29.684 19.353 1.00 0.00 H new ATOM 0 HB ILE A 44 25.729 31.672 21.292 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.916 28.762 21.715 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.456 29.506 22.098 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.460 31.636 22.271 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.404 32.087 20.550 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.949 30.442 21.054 1.00 0.00 H new ATOM 0 HD11 ILE A 44 25.091 29.211 24.148 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.350 30.940 23.817 1.00 0.00 H new ATOM 0 HD13 ILE A 44 23.787 30.185 23.428 1.00 0.00 H new ATOM 718 N PHE A 45 24.186 31.829 18.118 1.00 0.00 N ATOM 719 CA PHE A 45 24.046 32.947 17.184 1.00 0.00 C ATOM 720 C PHE A 45 22.611 33.455 17.239 1.00 0.00 C ATOM 721 O PHE A 45 21.689 32.677 17.478 1.00 0.00 O ATOM 722 CB PHE A 45 24.373 32.492 15.761 1.00 0.00 C ATOM 723 CG PHE A 45 24.455 33.693 14.840 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.522 34.592 14.952 1.00 0.00 C ATOM 725 CD2 PHE A 45 23.467 33.901 13.865 1.00 0.00 C ATOM 726 CE1 PHE A 45 25.605 35.696 14.092 1.00 0.00 C ATOM 727 CE2 PHE A 45 23.550 35.007 13.007 1.00 0.00 C ATOM 728 CZ PHE A 45 24.619 35.902 13.121 1.00 0.00 C ATOM 0 H PHE A 45 23.320 31.316 18.283 1.00 0.00 H new ATOM 0 HA PHE A 45 24.737 33.742 17.464 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.319 31.951 15.752 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.607 31.802 15.406 1.00 0.00 H new ATOM 0 HD1 PHE A 45 26.283 34.435 15.702 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.643 33.209 13.776 1.00 0.00 H new ATOM 0 HE1 PHE A 45 26.430 36.387 14.179 1.00 0.00 H new ATOM 0 HE2 PHE A 45 22.789 35.168 12.258 1.00 0.00 H new ATOM 0 HZ PHE A 45 24.683 36.753 12.459 1.00 0.00 H new ATOM 738 N ALA A 46 22.411 34.750 17.036 1.00 0.00 N ATOM 739 CA ALA A 46 21.062 35.296 17.092 1.00 0.00 C ATOM 740 C ALA A 46 20.382 34.833 18.381 1.00 0.00 C ATOM 741 O ALA A 46 19.173 34.604 18.420 1.00 0.00 O ATOM 742 CB ALA A 46 20.259 34.831 15.876 1.00 0.00 C ATOM 0 H ALA A 46 23.146 35.428 16.836 1.00 0.00 H new ATOM 0 HA ALA A 46 21.110 36.385 17.081 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.251 35.244 15.926 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.747 35.175 14.964 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.205 33.742 15.870 1.00 0.00 H new ATOM 748 N GLY A 47 21.190 34.716 19.434 1.00 0.00 N ATOM 749 CA GLY A 47 20.708 34.306 20.749 1.00 0.00 C ATOM 750 C GLY A 47 20.161 32.876 20.776 1.00 0.00 C ATOM 751 O GLY A 47 19.591 32.458 21.783 1.00 0.00 O ATOM 0 H GLY A 47 22.192 34.902 19.399 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.522 34.390 21.469 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.926 34.993 21.072 1.00 0.00 H new ATOM 755 N LYS A 48 20.327 32.122 19.683 1.00 0.00 N ATOM 756 CA LYS A 48 19.825 30.735 19.634 1.00 0.00 C ATOM 757 C LYS A 48 20.959 29.727 19.493 1.00 0.00 C ATOM 758 O LYS A 48 21.919 29.952 18.756 1.00 0.00 O ATOM 759 CB LYS A 48 18.871 30.548 18.453 1.00 0.00 C ATOM 760 CG LYS A 48 17.671 31.481 18.600 1.00 0.00 C ATOM 761 CD LYS A 48 16.590 31.069 17.597 1.00 0.00 C ATOM 762 CE LYS A 48 17.113 31.247 16.168 1.00 0.00 C ATOM 763 NZ LYS A 48 15.963 31.321 15.226 1.00 0.00 N ATOM 0 H LYS A 48 20.795 32.437 18.833 1.00 0.00 H new ATOM 0 HA LYS A 48 19.304 30.558 20.575 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.391 30.755 17.518 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.534 29.512 18.407 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.279 31.433 19.616 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.974 32.513 18.424 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.304 30.030 17.763 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.695 31.673 17.744 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.713 32.155 16.099 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.763 30.414 15.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.317 31.442 14.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.408 30.443 15.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.359 32.130 15.478 1.00 0.00 H new ATOM 777 N GLN A 49 20.826 28.601 20.196 1.00 0.00 N ATOM 778 CA GLN A 49 21.820 27.544 20.141 1.00 0.00 C ATOM 779 C GLN A 49 21.619 26.704 18.879 1.00 0.00 C ATOM 780 O GLN A 49 20.495 26.311 18.562 1.00 0.00 O ATOM 781 CB GLN A 49 21.679 26.650 21.372 1.00 0.00 C ATOM 782 CG GLN A 49 22.235 27.366 22.605 1.00 0.00 C ATOM 783 CD GLN A 49 21.738 26.686 23.879 1.00 0.00 C ATOM 784 OE1 GLN A 49 21.275 27.357 24.801 1.00 0.00 O ATOM 785 NE2 GLN A 49 21.810 25.387 23.986 1.00 0.00 N ATOM 0 H GLN A 49 20.035 28.404 20.810 1.00 0.00 H new ATOM 0 HA GLN A 49 22.815 27.989 20.121 1.00 0.00 H new ATOM 0 HB2 GLN A 49 20.631 26.397 21.530 1.00 0.00 H new ATOM 0 HB3 GLN A 49 22.213 25.713 21.214 1.00 0.00 H new ATOM 0 HG2 GLN A 49 23.325 27.356 22.580 1.00 0.00 H new ATOM 0 HG3 GLN A 49 21.926 28.411 22.598 1.00 0.00 H new ATOM 0 HE21 GLN A 49 22.194 24.833 23.221 1.00 0.00 H new ATOM 0 HE22 GLN A 49 21.482 24.926 24.835 1.00 0.00 H new ATOM 794 N LEU A 50 22.701 26.442 18.159 1.00 0.00 N ATOM 795 CA LEU A 50 22.613 25.658 16.928 1.00 0.00 C ATOM 796 C LEU A 50 22.414 24.174 17.237 1.00 0.00 C ATOM 797 O LEU A 50 23.176 23.578 18.001 1.00 0.00 O ATOM 798 CB LEU A 50 23.879 25.857 16.093 1.00 0.00 C ATOM 799 CG LEU A 50 24.208 27.353 16.012 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.431 27.562 15.116 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.010 28.118 15.429 1.00 0.00 C ATOM 0 H LEU A 50 23.641 26.755 18.399 1.00 0.00 H new ATOM 0 HA LEU A 50 21.750 26.005 16.360 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.712 25.314 16.540 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.735 25.451 15.092 1.00 0.00 H new ATOM 0 HG LEU A 50 24.422 27.727 17.013 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.663 28.625 15.060 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.284 27.026 15.533 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.218 27.184 14.116 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.249 29.180 15.374 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.790 27.743 14.430 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.140 27.975 16.070 1.00 0.00 H new ATOM 813 N GLU A 51 21.370 23.593 16.644 1.00 0.00 N ATOM 814 CA GLU A 51 21.050 22.179 16.861 1.00 0.00 C ATOM 815 C GLU A 51 21.762 21.275 15.859 1.00 0.00 C ATOM 816 O GLU A 51 21.856 21.575 14.662 1.00 0.00 O ATOM 817 CB GLU A 51 19.532 21.968 16.748 1.00 0.00 C ATOM 818 CG GLU A 51 18.859 22.336 18.071 1.00 0.00 C ATOM 819 CD GLU A 51 17.345 22.202 17.942 1.00 0.00 C ATOM 820 OE1 GLU A 51 16.842 21.118 18.187 1.00 0.00 O ATOM 821 OE2 GLU A 51 16.711 23.187 17.599 1.00 0.00 O ATOM 0 H GLU A 51 20.733 24.077 16.011 1.00 0.00 H new ATOM 0 HA GLU A 51 21.395 21.912 17.860 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.129 22.581 15.942 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.317 20.929 16.497 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.223 21.686 18.867 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.119 23.357 18.349 1.00 0.00 H new ATOM 828 N ASP A 52 22.245 20.152 16.363 1.00 0.00 N ATOM 829 CA ASP A 52 22.934 19.187 15.533 1.00 0.00 C ATOM 830 C ASP A 52 21.981 18.599 14.497 1.00 0.00 C ATOM 831 O ASP A 52 20.853 18.224 14.821 1.00 0.00 O ATOM 832 CB ASP A 52 23.505 18.065 16.402 1.00 0.00 C ATOM 833 CG ASP A 52 24.599 18.615 17.311 1.00 0.00 C ATOM 834 OD1 ASP A 52 25.105 19.684 17.014 1.00 0.00 O ATOM 835 OD2 ASP A 52 24.913 17.959 18.290 1.00 0.00 O ATOM 0 H ASP A 52 22.171 19.889 17.346 1.00 0.00 H new ATOM 0 HA ASP A 52 23.749 19.693 15.015 1.00 0.00 H new ATOM 0 HB2 ASP A 52 22.712 17.619 17.002 1.00 0.00 H new ATOM 0 HB3 ASP A 52 23.909 17.274 15.770 1.00 0.00 H new ATOM 840 N GLY A 53 22.444 18.507 13.251 1.00 0.00 N ATOM 841 CA GLY A 53 21.630 17.950 12.167 1.00 0.00 C ATOM 842 C GLY A 53 21.073 19.040 11.255 1.00 0.00 C ATOM 843 O GLY A 53 20.582 18.746 10.165 1.00 0.00 O ATOM 0 H GLY A 53 23.375 18.810 12.966 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.233 17.258 11.579 1.00 0.00 H new ATOM 0 HA3 GLY A 53 20.806 17.375 12.590 1.00 0.00 H new ATOM 847 N ARG A 54 21.160 20.304 11.682 1.00 0.00 N ATOM 848 CA ARG A 54 20.665 21.411 10.856 1.00 0.00 C ATOM 849 C ARG A 54 21.815 22.063 10.084 1.00 0.00 C ATOM 850 O ARG A 54 22.974 21.975 10.486 1.00 0.00 O ATOM 851 CB ARG A 54 19.977 22.463 11.734 1.00 0.00 C ATOM 852 CG ARG A 54 18.601 21.954 12.169 1.00 0.00 C ATOM 853 CD ARG A 54 17.869 23.057 12.934 1.00 0.00 C ATOM 854 NE ARG A 54 16.493 22.655 13.196 1.00 0.00 N ATOM 855 CZ ARG A 54 16.210 21.714 14.091 1.00 0.00 C ATOM 856 NH1 ARG A 54 14.973 21.348 14.285 1.00 0.00 N ATOM 857 NH2 ARG A 54 17.171 21.159 14.778 1.00 0.00 N ATOM 0 H ARG A 54 21.561 20.584 12.577 1.00 0.00 H new ATOM 0 HA ARG A 54 19.944 21.008 10.145 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.590 22.676 12.610 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.872 23.398 11.183 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.020 21.654 11.297 1.00 0.00 H new ATOM 0 HG3 ARG A 54 18.710 21.071 12.798 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.382 23.261 13.874 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.883 23.981 12.357 1.00 0.00 H new ATOM 0 HE ARG A 54 15.734 23.104 12.684 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.222 21.784 13.750 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.757 20.626 14.972 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.138 21.448 14.628 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.955 20.437 15.465 1.00 0.00 H new ATOM 871 N THR A 55 21.477 22.724 8.975 1.00 0.00 N ATOM 872 CA THR A 55 22.475 23.405 8.144 1.00 0.00 C ATOM 873 C THR A 55 22.487 24.895 8.471 1.00 0.00 C ATOM 874 O THR A 55 21.555 25.401 9.090 1.00 0.00 O ATOM 875 CB THR A 55 22.139 23.215 6.663 1.00 0.00 C ATOM 876 OG1 THR A 55 20.768 23.522 6.450 1.00 0.00 O ATOM 877 CG2 THR A 55 22.410 21.765 6.255 1.00 0.00 C ATOM 0 H THR A 55 20.520 22.803 8.631 1.00 0.00 H new ATOM 0 HA THR A 55 23.457 22.978 8.349 1.00 0.00 H new ATOM 0 HB THR A 55 22.760 23.878 6.061 1.00 0.00 H new ATOM 0 HG1 THR A 55 20.695 24.327 5.896 1.00 0.00 H new ATOM 0 HG21 THR A 55 22.170 21.633 5.200 1.00 0.00 H new ATOM 0 HG22 THR A 55 23.462 21.531 6.420 1.00 0.00 H new ATOM 0 HG23 THR A 55 21.792 21.097 6.854 1.00 0.00 H new ATOM 885 N LEU A 56 23.537 25.604 8.055 1.00 0.00 N ATOM 886 CA LEU A 56 23.609 27.034 8.330 1.00 0.00 C ATOM 887 C LEU A 56 22.425 27.743 7.674 1.00 0.00 C ATOM 888 O LEU A 56 21.832 28.643 8.269 1.00 0.00 O ATOM 889 CB LEU A 56 24.953 27.624 7.831 1.00 0.00 C ATOM 890 CG LEU A 56 26.004 27.617 8.960 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.372 26.173 9.322 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.256 28.374 8.493 1.00 0.00 C ATOM 0 H LEU A 56 24.329 25.221 7.539 1.00 0.00 H new ATOM 0 HA LEU A 56 23.560 27.190 9.408 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.318 27.044 6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.799 28.643 7.477 1.00 0.00 H new ATOM 0 HG LEU A 56 25.592 28.107 9.842 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.115 26.176 10.120 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.480 25.644 9.658 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.783 25.672 8.446 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.001 28.371 9.289 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.667 27.887 7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.990 29.402 8.249 1.00 0.00 H new ATOM 904 N SER A 57 22.083 27.343 6.445 1.00 0.00 N ATOM 905 CA SER A 57 20.966 27.967 5.738 1.00 0.00 C ATOM 906 C SER A 57 19.742 28.046 6.636 1.00 0.00 C ATOM 907 O SER A 57 18.988 29.017 6.581 1.00 0.00 O ATOM 908 CB SER A 57 20.613 27.173 4.479 1.00 0.00 C ATOM 909 OG SER A 57 20.256 25.846 4.846 1.00 0.00 O ATOM 0 H SER A 57 22.556 26.602 5.928 1.00 0.00 H new ATOM 0 HA SER A 57 21.272 28.974 5.455 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.787 27.652 3.953 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.461 27.158 3.795 1.00 0.00 H new ATOM 0 HG SER A 57 20.028 25.334 4.042 1.00 0.00 H new ATOM 915 N ASP A 58 19.547 27.029 7.472 1.00 0.00 N ATOM 916 CA ASP A 58 18.412 27.023 8.380 1.00 0.00 C ATOM 917 C ASP A 58 18.448 28.282 9.235 1.00 0.00 C ATOM 918 O ASP A 58 17.428 28.938 9.446 1.00 0.00 O ATOM 919 CB ASP A 58 18.477 25.783 9.279 1.00 0.00 C ATOM 920 CG ASP A 58 18.459 24.518 8.428 1.00 0.00 C ATOM 921 OD1 ASP A 58 17.844 24.544 7.374 1.00 0.00 O ATOM 922 OD2 ASP A 58 19.060 23.539 8.842 1.00 0.00 O ATOM 0 H ASP A 58 20.153 26.211 7.537 1.00 0.00 H new ATOM 0 HA ASP A 58 17.485 26.999 7.807 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.383 25.810 9.885 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.633 25.779 9.968 1.00 0.00 H new ATOM 927 N TYR A 59 19.646 28.612 9.708 1.00 0.00 N ATOM 928 CA TYR A 59 19.865 29.798 10.529 1.00 0.00 C ATOM 929 C TYR A 59 20.500 30.895 9.679 1.00 0.00 C ATOM 930 O TYR A 59 21.657 30.769 9.312 1.00 0.00 O ATOM 931 CB TYR A 59 20.819 29.449 11.676 1.00 0.00 C ATOM 932 CG TYR A 59 20.181 28.430 12.591 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.622 27.099 12.582 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.151 28.819 13.454 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.031 26.160 13.435 1.00 0.00 C ATOM 936 CE2 TYR A 59 18.561 27.880 14.306 1.00 0.00 C ATOM 937 CZ TYR A 59 19.000 26.550 14.298 1.00 0.00 C ATOM 938 OH TYR A 59 18.418 25.626 15.141 1.00 0.00 O ATOM 0 H TYR A 59 20.490 28.066 9.534 1.00 0.00 H new ATOM 0 HA TYR A 59 18.911 30.144 10.927 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.753 29.055 11.275 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.068 30.349 12.239 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.418 26.798 11.917 1.00 0.00 H new ATOM 0 HD2 TYR A 59 18.812 29.844 13.462 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.370 25.135 13.427 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.765 28.181 14.971 1.00 0.00 H new ATOM 0 HH TYR A 59 17.720 26.062 15.673 1.00 0.00 H new ATOM 948 N ASN A 60 19.711 31.915 9.318 1.00 0.00 N ATOM 949 CA ASN A 60 20.183 33.009 8.446 1.00 0.00 C ATOM 950 C ASN A 60 21.554 33.587 8.853 1.00 0.00 C ATOM 951 O ASN A 60 21.665 34.757 9.217 1.00 0.00 O ATOM 952 CB ASN A 60 19.148 34.141 8.415 1.00 0.00 C ATOM 953 CG ASN A 60 18.857 34.632 9.829 1.00 0.00 C ATOM 954 OD1 ASN A 60 19.591 34.310 10.762 1.00 0.00 O ATOM 955 ND2 ASN A 60 17.823 35.402 10.042 1.00 0.00 N ATOM 0 H ASN A 60 18.740 32.009 9.615 1.00 0.00 H new ATOM 0 HA ASN A 60 20.308 32.568 7.457 1.00 0.00 H new ATOM 0 HB2 ASN A 60 19.519 34.965 7.806 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.228 33.789 7.949 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.623 35.738 10.984 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.216 35.667 9.266 1.00 0.00 H new ATOM 962 N ILE A 61 22.585 32.751 8.755 1.00 0.00 N ATOM 963 CA ILE A 61 23.960 33.137 9.070 1.00 0.00 C ATOM 964 C ILE A 61 24.699 33.454 7.769 1.00 0.00 C ATOM 965 O ILE A 61 25.127 32.544 7.062 1.00 0.00 O ATOM 966 CB ILE A 61 24.672 31.975 9.775 1.00 0.00 C ATOM 967 CG1 ILE A 61 24.028 31.716 11.138 1.00 0.00 C ATOM 968 CG2 ILE A 61 26.153 32.316 9.967 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.567 30.399 11.705 1.00 0.00 C ATOM 0 H ILE A 61 22.490 31.781 8.453 1.00 0.00 H new ATOM 0 HA ILE A 61 23.952 34.011 9.721 1.00 0.00 H new ATOM 0 HB ILE A 61 24.582 31.080 9.160 1.00 0.00 H new ATOM 0 HG12 ILE A 61 24.248 32.537 11.820 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.944 31.667 11.038 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.655 31.488 10.468 1.00 0.00 H new ATOM 0 HG22 ILE A 61 26.616 32.486 8.995 1.00 0.00 H new ATOM 0 HG23 ILE A 61 26.243 33.216 10.575 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.112 30.208 12.677 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.324 29.583 11.024 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.649 30.467 11.818 1.00 0.00 H new ATOM 981 N GLN A 62 24.824 34.738 7.438 1.00 0.00 N ATOM 982 CA GLN A 62 25.491 35.131 6.190 1.00 0.00 C ATOM 983 C GLN A 62 27.005 35.215 6.342 1.00 0.00 C ATOM 984 O GLN A 62 27.549 35.099 7.440 1.00 0.00 O ATOM 985 CB GLN A 62 24.957 36.472 5.697 1.00 0.00 C ATOM 986 CG GLN A 62 23.433 36.418 5.619 1.00 0.00 C ATOM 987 CD GLN A 62 22.903 37.677 4.944 1.00 0.00 C ATOM 988 OE1 GLN A 62 23.258 37.966 3.801 1.00 0.00 O ATOM 989 NE2 GLN A 62 22.071 38.450 5.586 1.00 0.00 N ATOM 0 H GLN A 62 24.480 35.515 8.003 1.00 0.00 H new ATOM 0 HA GLN A 62 25.270 34.353 5.459 1.00 0.00 H new ATOM 0 HB2 GLN A 62 25.269 37.269 6.372 1.00 0.00 H new ATOM 0 HB3 GLN A 62 25.374 36.703 4.717 1.00 0.00 H new ATOM 0 HG2 GLN A 62 23.120 35.536 5.060 1.00 0.00 H new ATOM 0 HG3 GLN A 62 23.012 36.327 6.620 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.778 38.209 6.533 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.713 39.295 5.141 1.00 0.00 H new ATOM 998 N LYS A 63 27.673 35.391 5.204 1.00 0.00 N ATOM 999 CA LYS A 63 29.128 35.463 5.178 1.00 0.00 C ATOM 1000 C LYS A 63 29.656 36.605 6.037 1.00 0.00 C ATOM 1001 O LYS A 63 29.039 37.666 6.144 1.00 0.00 O ATOM 1002 CB LYS A 63 29.640 35.596 3.735 1.00 0.00 C ATOM 1003 CG LYS A 63 29.162 36.904 3.094 1.00 0.00 C ATOM 1004 CD LYS A 63 29.754 37.001 1.681 1.00 0.00 C ATOM 1005 CE LYS A 63 29.140 38.181 0.926 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.413 39.445 1.663 1.00 0.00 N ATOM 0 H LYS A 63 27.229 35.486 4.291 1.00 0.00 H new ATOM 0 HA LYS A 63 29.505 34.532 5.601 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.729 35.562 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 63 29.291 34.750 3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.073 36.928 3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.476 37.757 3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.836 37.122 1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.566 36.075 1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.556 38.238 -0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.065 38.036 0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.178 40.257 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.832 39.476 2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.419 39.486 1.922 1.00 0.00 H new ATOM 1020 N GLU A 64 30.819 36.368 6.637 1.00 0.00 N ATOM 1021 CA GLU A 64 31.472 37.357 7.482 1.00 0.00 C ATOM 1022 C GLU A 64 30.587 37.784 8.652 1.00 0.00 C ATOM 1023 O GLU A 64 30.139 38.929 8.722 1.00 0.00 O ATOM 1024 CB GLU A 64 31.879 38.572 6.650 1.00 0.00 C ATOM 1025 CG GLU A 64 32.805 38.109 5.522 1.00 0.00 C ATOM 1026 CD GLU A 64 33.127 39.271 4.591 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.901 40.125 4.988 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.596 39.287 3.493 1.00 0.00 O ATOM 0 H GLU A 64 31.331 35.490 6.551 1.00 0.00 H new ATOM 0 HA GLU A 64 32.364 36.894 7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 64 30.996 39.060 6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 64 32.385 39.306 7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.726 37.704 5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 64 32.330 37.305 4.960 1.00 0.00 H new HETATM 1035 N SEP A 65 30.375 36.859 9.593 1.00 0.00 N HETATM 1036 CA SEP A 65 29.582 37.127 10.794 1.00 0.00 C HETATM 1037 CB SEP A 65 28.236 36.403 10.709 1.00 0.00 C HETATM 1038 OG SEP A 65 27.437 37.007 9.695 1.00 0.00 O HETATM 1039 C SEP A 65 30.365 36.633 12.009 1.00 0.00 C HETATM 1040 O SEP A 65 31.251 35.784 11.868 1.00 0.00 O HETATM 1041 P SEP A 65 26.533 38.207 10.029 1.00 0.00 P HETATM 1042 O1P SEP A 65 25.087 37.617 10.151 1.00 0.00 O HETATM 1043 O2P SEP A 65 26.698 39.196 8.824 1.00 0.00 O HETATM 1044 O3P SEP A 65 27.085 38.779 11.379 1.00 0.00 O HETATM 0 HB3 SEP A 65 28.392 35.348 10.484 1.00 0.00 H new HETATM 0 HB2 SEP A 65 27.723 36.452 11.669 1.00 0.00 H new HETATM 0 HA SEP A 65 29.391 38.197 10.882 1.00 0.00 H new ATOM 1049 N THR A 66 30.052 37.149 13.197 1.00 0.00 N ATOM 1050 CA THR A 66 30.759 36.721 14.408 1.00 0.00 C ATOM 1051 C THR A 66 29.949 35.672 15.163 1.00 0.00 C ATOM 1052 O THR A 66 28.810 35.918 15.565 1.00 0.00 O ATOM 1053 CB THR A 66 31.012 37.922 15.324 1.00 0.00 C ATOM 1054 OG1 THR A 66 31.642 38.954 14.579 1.00 0.00 O ATOM 1055 CG2 THR A 66 31.927 37.499 16.478 1.00 0.00 C ATOM 0 H THR A 66 29.328 37.851 13.348 1.00 0.00 H new ATOM 0 HA THR A 66 31.712 36.285 14.108 1.00 0.00 H new ATOM 0 HB THR A 66 30.064 38.283 15.724 1.00 0.00 H new ATOM 0 HG1 THR A 66 31.804 39.725 15.161 1.00 0.00 H new ATOM 0 HG21 THR A 66 32.108 38.353 17.131 1.00 0.00 H new ATOM 0 HG22 THR A 66 31.449 36.702 17.048 1.00 0.00 H new ATOM 0 HG23 THR A 66 32.876 37.141 16.078 1.00 0.00 H new ATOM 1063 N LEU A 67 30.553 34.499 15.361 1.00 0.00 N ATOM 1064 CA LEU A 67 29.901 33.403 16.079 1.00 0.00 C ATOM 1065 C LEU A 67 30.386 33.381 17.529 1.00 0.00 C ATOM 1066 O LEU A 67 31.546 33.687 17.800 1.00 0.00 O ATOM 1067 CB LEU A 67 30.246 32.068 15.399 1.00 0.00 C ATOM 1068 CG LEU A 67 29.317 31.824 14.198 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.871 31.555 14.673 1.00 0.00 C ATOM 1070 CD2 LEU A 67 29.345 33.052 13.279 1.00 0.00 C ATOM 0 H LEU A 67 31.495 34.284 15.033 1.00 0.00 H new ATOM 0 HA LEU A 67 28.821 33.549 16.062 1.00 0.00 H new ATOM 0 HB2 LEU A 67 31.284 32.079 15.068 1.00 0.00 H new ATOM 0 HB3 LEU A 67 30.148 31.252 16.115 1.00 0.00 H new ATOM 0 HG LEU A 67 29.667 30.948 13.652 1.00 0.00 H new ATOM 0 HD11 LEU A 67 27.230 31.385 13.808 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.857 30.674 15.314 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.505 32.416 15.232 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.688 32.883 12.426 1.00 0.00 H new ATOM 0 HD22 LEU A 67 29.005 33.928 13.832 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.362 33.219 12.925 1.00 0.00 H new ATOM 1082 N HIS A 68 29.506 33.008 18.465 1.00 0.00 N ATOM 1083 CA HIS A 68 29.885 32.947 19.876 1.00 0.00 C ATOM 1084 C HIS A 68 30.285 31.517 20.251 1.00 0.00 C ATOM 1085 O HIS A 68 29.485 30.593 20.109 1.00 0.00 O ATOM 1086 CB HIS A 68 28.709 33.396 20.748 1.00 0.00 C ATOM 1087 CG HIS A 68 28.404 34.843 20.471 1.00 0.00 C ATOM 1088 ND1 HIS A 68 27.197 35.253 19.925 1.00 0.00 N ATOM 1089 CD2 HIS A 68 29.138 35.988 20.659 1.00 0.00 C ATOM 1090 CE1 HIS A 68 27.242 36.593 19.803 1.00 0.00 C ATOM 1091 NE2 HIS A 68 28.403 37.091 20.236 1.00 0.00 N ATOM 0 H HIS A 68 28.539 32.747 18.272 1.00 0.00 H new ATOM 0 HA HIS A 68 30.734 33.610 20.043 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.833 32.782 20.540 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.951 33.259 21.802 1.00 0.00 H new ATOM 0 HD2 HIS A 68 30.135 36.027 21.073 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.437 37.192 19.404 1.00 0.00 H new ATOM 0 HE2 HIS A 68 28.689 38.070 20.253 1.00 0.00 H new ATOM 1100 N LEU A 69 31.519 31.335 20.742 1.00 0.00 N ATOM 1101 CA LEU A 69 32.008 30.029 21.139 1.00 0.00 C ATOM 1102 C LEU A 69 32.173 30.011 22.647 1.00 0.00 C ATOM 1103 O LEU A 69 33.052 30.667 23.205 1.00 0.00 O ATOM 1104 CB LEU A 69 33.351 29.744 20.453 1.00 0.00 C ATOM 1105 CG LEU A 69 33.658 28.242 20.498 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.930 27.963 19.691 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.858 27.790 21.955 1.00 0.00 C ATOM 0 H LEU A 69 32.193 32.090 20.870 1.00 0.00 H new ATOM 0 HA LEU A 69 31.299 29.258 20.839 1.00 0.00 H new ATOM 0 HB2 LEU A 69 33.319 30.086 19.418 1.00 0.00 H new ATOM 0 HB3 LEU A 69 34.147 30.301 20.948 1.00 0.00 H new ATOM 0 HG LEU A 69 32.823 27.689 20.068 1.00 0.00 H new ATOM 0 HD11 LEU A 69 35.153 26.896 19.720 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.781 28.275 18.657 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.763 28.519 20.121 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.076 26.722 21.978 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.690 28.339 22.395 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.950 27.988 22.525 1.00 0.00 H new ATOM 1119 N VAL A 70 31.307 29.251 23.287 1.00 0.00 N ATOM 1120 CA VAL A 70 31.314 29.114 24.743 1.00 0.00 C ATOM 1121 C VAL A 70 31.555 27.661 25.129 1.00 0.00 C ATOM 1122 O VAL A 70 31.199 26.743 24.390 1.00 0.00 O ATOM 1123 CB VAL A 70 29.976 29.593 25.313 1.00 0.00 C ATOM 1124 CG1 VAL A 70 29.665 30.995 24.782 1.00 0.00 C ATOM 1125 CG2 VAL A 70 28.868 28.629 24.885 1.00 0.00 C ATOM 0 H VAL A 70 30.578 28.710 22.821 1.00 0.00 H new ATOM 0 HA VAL A 70 32.117 29.725 25.155 1.00 0.00 H new ATOM 0 HB VAL A 70 30.034 29.623 26.401 1.00 0.00 H new ATOM 0 HG11 VAL A 70 28.712 31.335 25.188 1.00 0.00 H new ATOM 0 HG12 VAL A 70 30.455 31.682 25.085 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.606 30.967 23.694 1.00 0.00 H new ATOM 0 HG21 VAL A 70 27.914 28.968 25.290 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.811 28.600 23.797 1.00 0.00 H new ATOM 0 HG23 VAL A 70 29.088 27.631 25.263 1.00 0.00 H new ATOM 1135 N LEU A 71 32.169 27.462 26.286 1.00 0.00 N ATOM 1136 CA LEU A 71 32.461 26.117 26.759 1.00 0.00 C ATOM 1137 C LEU A 71 31.178 25.365 27.080 1.00 0.00 C ATOM 1138 O LEU A 71 30.075 25.861 26.841 1.00 0.00 O ATOM 1139 CB LEU A 71 33.349 26.172 28.003 1.00 0.00 C ATOM 1140 CG LEU A 71 34.450 27.223 27.822 1.00 0.00 C ATOM 1141 CD1 LEU A 71 35.501 27.037 28.917 1.00 0.00 C ATOM 1142 CD2 LEU A 71 35.115 27.067 26.447 1.00 0.00 C ATOM 0 H LEU A 71 32.473 28.209 26.911 1.00 0.00 H new ATOM 0 HA LEU A 71 32.987 25.588 25.965 1.00 0.00 H new ATOM 0 HB2 LEU A 71 32.746 26.413 28.878 1.00 0.00 H new ATOM 0 HB3 LEU A 71 33.796 25.194 28.183 1.00 0.00 H new ATOM 0 HG LEU A 71 34.010 28.218 27.889 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.288 27.781 28.796 1.00 0.00 H new ATOM 0 HD12 LEU A 71 35.034 27.159 29.894 1.00 0.00 H new ATOM 0 HD13 LEU A 71 35.931 26.038 28.843 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.895 27.820 26.332 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.555 26.073 26.367 1.00 0.00 H new ATOM 0 HD23 LEU A 71 34.367 27.197 25.664 1.00 0.00 H new ATOM 1154 N ARG A 72 31.330 24.164 27.616 1.00 0.00 N ATOM 1155 CA ARG A 72 30.176 23.346 27.967 1.00 0.00 C ATOM 1156 C ARG A 72 29.263 24.104 28.926 1.00 0.00 C ATOM 1157 O ARG A 72 28.064 23.833 29.007 1.00 0.00 O ATOM 1158 CB ARG A 72 30.636 22.045 28.622 1.00 0.00 C ATOM 1159 CG ARG A 72 31.524 22.370 29.825 1.00 0.00 C ATOM 1160 CD ARG A 72 32.004 21.070 30.471 1.00 0.00 C ATOM 1161 NE ARG A 72 30.893 20.395 31.133 1.00 0.00 N ATOM 1162 CZ ARG A 72 31.086 19.292 31.849 1.00 0.00 C ATOM 1163 NH1 ARG A 72 30.076 18.707 32.431 1.00 0.00 N ATOM 1164 NH2 ARG A 72 32.286 18.794 31.967 1.00 0.00 N ATOM 0 H ARG A 72 32.233 23.735 27.817 1.00 0.00 H new ATOM 0 HA ARG A 72 29.624 23.116 27.056 1.00 0.00 H new ATOM 0 HB2 ARG A 72 29.773 21.460 28.940 1.00 0.00 H new ATOM 0 HB3 ARG A 72 31.186 21.437 27.903 1.00 0.00 H new ATOM 0 HG2 ARG A 72 32.378 22.968 29.509 1.00 0.00 H new ATOM 0 HG3 ARG A 72 30.969 22.965 30.550 1.00 0.00 H new ATOM 0 HD2 ARG A 72 32.436 20.417 29.713 1.00 0.00 H new ATOM 0 HD3 ARG A 72 32.791 21.284 31.194 1.00 0.00 H new ATOM 0 HE ARG A 72 29.951 20.776 31.045 1.00 0.00 H new ATOM 0 HH11 ARG A 72 29.138 19.096 32.337 1.00 0.00 H new ATOM 0 HH12 ARG A 72 30.224 17.861 32.980 1.00 0.00 H new ATOM 0 HH21 ARG A 72 33.075 19.251 31.510 1.00 0.00 H new ATOM 0 HH22 ARG A 72 32.435 17.948 32.516 1.00 0.00 H new ATOM 1178 N LEU A 73 29.843 25.055 29.652 1.00 0.00 N ATOM 1179 CA LEU A 73 29.077 25.852 30.608 1.00 0.00 C ATOM 1180 C LEU A 73 28.203 24.940 31.468 1.00 0.00 C ATOM 1181 O LEU A 73 28.274 23.712 31.367 1.00 0.00 O ATOM 1182 CB LEU A 73 28.203 26.885 29.853 1.00 0.00 C ATOM 1183 CG LEU A 73 28.851 28.276 29.892 1.00 0.00 C ATOM 1184 CD1 LEU A 73 30.183 28.249 29.142 1.00 0.00 C ATOM 1185 CD2 LEU A 73 27.915 29.289 29.229 1.00 0.00 C ATOM 0 H LEU A 73 30.834 25.292 29.599 1.00 0.00 H new ATOM 0 HA LEU A 73 29.767 26.388 31.260 1.00 0.00 H new ATOM 0 HB2 LEU A 73 28.070 26.569 28.818 1.00 0.00 H new ATOM 0 HB3 LEU A 73 27.211 26.928 30.303 1.00 0.00 H new ATOM 0 HG LEU A 73 29.029 28.562 30.929 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.638 29.239 29.173 1.00 0.00 H new ATOM 0 HD12 LEU A 73 30.851 27.528 29.613 1.00 0.00 H new ATOM 0 HD13 LEU A 73 30.011 27.961 28.105 1.00 0.00 H new ATOM 0 HD21 LEU A 73 28.372 30.278 29.255 1.00 0.00 H new ATOM 0 HD22 LEU A 73 27.739 28.998 28.194 1.00 0.00 H new ATOM 0 HD23 LEU A 73 26.967 29.314 29.766 1.00 0.00 H new ATOM 1197 N ARG A 74 27.385 25.553 32.313 1.00 0.00 N ATOM 1198 CA ARG A 74 26.501 24.798 33.189 1.00 0.00 C ATOM 1199 C ARG A 74 27.259 23.660 33.865 1.00 0.00 C ATOM 1200 O ARG A 74 27.228 22.520 33.403 1.00 0.00 O ATOM 1201 CB ARG A 74 25.333 24.229 32.380 1.00 0.00 C ATOM 1202 CG ARG A 74 24.320 23.588 33.328 1.00 0.00 C ATOM 1203 CD ARG A 74 23.123 23.080 32.526 1.00 0.00 C ATOM 1204 NE ARG A 74 22.116 22.519 33.420 1.00 0.00 N ATOM 1205 CZ ARG A 74 20.998 21.980 32.944 1.00 0.00 C ATOM 1206 NH1 ARG A 74 20.111 21.488 33.765 1.00 0.00 N ATOM 1207 NH2 ARG A 74 20.789 21.942 31.658 1.00 0.00 N ATOM 0 H ARG A 74 27.316 26.566 32.410 1.00 0.00 H new ATOM 0 HA ARG A 74 26.119 25.469 33.958 1.00 0.00 H new ATOM 0 HB2 ARG A 74 24.856 25.021 31.803 1.00 0.00 H new ATOM 0 HB3 ARG A 74 25.697 23.490 31.666 1.00 0.00 H new ATOM 0 HG2 ARG A 74 24.784 22.764 33.870 1.00 0.00 H new ATOM 0 HG3 ARG A 74 23.991 24.314 34.072 1.00 0.00 H new ATOM 0 HD2 ARG A 74 22.691 23.897 31.948 1.00 0.00 H new ATOM 0 HD3 ARG A 74 23.449 22.322 31.813 1.00 0.00 H new ATOM 0 HE ARG A 74 22.272 22.541 34.428 1.00 0.00 H new ATOM 0 HH11 ARG A 74 20.276 21.517 34.771 1.00 0.00 H new ATOM 0 HH12 ARG A 74 19.253 21.074 33.401 1.00 0.00 H new ATOM 0 HH21 ARG A 74 21.483 22.326 31.017 1.00 0.00 H new ATOM 0 HH22 ARG A 74 19.931 21.528 31.293 1.00 0.00 H new ATOM 1221 N GLY A 75 27.940 23.978 34.961 1.00 0.00 N ATOM 1222 CA GLY A 75 28.703 22.973 35.692 1.00 0.00 C ATOM 1223 C GLY A 75 29.293 23.559 36.971 1.00 0.00 C ATOM 1224 O GLY A 75 28.627 24.304 37.689 1.00 0.00 O ATOM 0 H GLY A 75 27.979 24.916 35.360 1.00 0.00 H new ATOM 0 HA2 GLY A 75 28.058 22.129 35.938 1.00 0.00 H new ATOM 0 HA3 GLY A 75 29.504 22.589 35.060 1.00 0.00 H new ATOM 1228 N GLY A 76 30.546 23.213 37.250 1.00 0.00 N ATOM 1229 CA GLY A 76 31.217 23.709 38.446 1.00 0.00 C ATOM 1230 C GLY A 76 30.671 23.031 39.698 1.00 0.00 C ATOM 1231 O GLY A 76 30.893 21.840 39.849 1.00 0.00 O ATOM 1232 OXT GLY A 76 30.038 23.711 40.489 1.00 0.00 O ATOM 0 H GLY A 76 31.113 22.596 36.669 1.00 0.00 H new ATOM 0 HA2 GLY A 76 32.289 23.528 38.368 1.00 0.00 H new ATOM 0 HA3 GLY A 76 31.081 24.788 38.523 1.00 0.00 H new TER 1236 GLY A 76