USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 628 hydrogens (10 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 66 TPO H2 : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -2.37 (180deg=-2.69) USER MOD Single : A 2 GLN : amide:sc= -4.39! C(o=-4.4!,f=-4.4!) USER MOD Single : A 6 LYS NZ :NH3+ -161:sc= -0.0681 (180deg=-0.482) USER MOD Single : A 7 THR OG1 : rot 87:sc= 0.0826 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 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 29:sc= 0.35 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0335 K(o=-0.034,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= -5.36! (180deg=-5.49!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.38 K(o=-1.4,f=-3.5!) USER MOD Single : A 33 LYS NZ :NH3+ -139:sc= -0.0356 (180deg=-1.17) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 41 GLN : amide:sc= -3.5 X(o=-3.5,f=-3.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.607 X(o=-0.61,f=-0.12) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.639 USER MOD Single : A 60 ASN : amide:sc= -1.22! C(o=-1.2!,f=-1.5!) USER MOD Single : A 62 GLN : amide:sc= -0.0353 K(o=-0.035,f=-1.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -0.65 K(o=-0.65,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.587 27.965 2.794 1.00 0.00 N ATOM 2 CA MET A 1 27.279 28.645 3.011 1.00 0.00 C ATOM 3 C MET A 1 27.463 29.805 3.992 1.00 0.00 C ATOM 4 O MET A 1 28.491 29.937 4.627 1.00 0.00 O ATOM 5 CB MET A 1 26.274 27.646 3.587 1.00 0.00 C ATOM 6 CG MET A 1 26.205 26.412 2.685 1.00 0.00 C ATOM 7 SD MET A 1 25.613 26.897 1.045 1.00 0.00 S ATOM 8 CE MET A 1 25.769 25.276 0.258 1.00 0.00 C ATOM 0 H1 MET A 1 28.547 27.407 1.917 1.00 0.00 H new ATOM 0 H2 MET A 1 29.340 28.678 2.717 1.00 0.00 H new ATOM 0 H3 MET A 1 28.788 27.334 3.596 1.00 0.00 H new ATOM 0 HA MET A 1 26.907 29.028 2.061 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.571 27.356 4.595 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.290 28.108 3.665 1.00 0.00 H new ATOM 0 HG2 MET A 1 27.189 25.950 2.606 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.537 25.668 3.119 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.450 25.344 -0.782 1.00 0.00 H new ATOM 0 HE2 MET A 1 26.808 24.950 0.298 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.142 24.555 0.783 1.00 0.00 H new ATOM 20 N GLN A 2 26.473 30.647 4.121 1.00 0.00 N ATOM 21 CA GLN A 2 26.587 31.800 5.062 1.00 0.00 C ATOM 22 C GLN A 2 26.191 31.348 6.469 1.00 0.00 C ATOM 23 O GLN A 2 25.068 31.529 6.895 1.00 0.00 O ATOM 24 CB GLN A 2 25.654 32.926 4.608 1.00 0.00 C ATOM 25 CG GLN A 2 25.802 33.144 3.097 1.00 0.00 C ATOM 26 CD GLN A 2 25.049 32.048 2.341 1.00 0.00 C ATOM 27 OE1 GLN A 2 25.615 31.375 1.500 1.00 0.00 O ATOM 28 NE2 GLN A 2 23.789 31.838 2.604 1.00 0.00 N ATOM 0 H GLN A 2 25.589 30.587 3.615 1.00 0.00 H new ATOM 0 HA GLN A 2 27.615 32.162 5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 2 24.621 32.675 4.849 1.00 0.00 H new ATOM 0 HB3 GLN A 2 25.892 33.846 5.143 1.00 0.00 H new ATOM 0 HG2 GLN A 2 25.411 34.123 2.821 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.856 33.132 2.820 1.00 0.00 H new ATOM 0 HE21 GLN A 2 23.314 32.402 3.309 1.00 0.00 H new ATOM 0 HE22 GLN A 2 23.278 31.110 2.105 1.00 0.00 H new ATOM 37 N ILE A 3 27.102 30.758 7.193 1.00 0.00 N ATOM 38 CA ILE A 3 26.776 30.291 8.571 1.00 0.00 C ATOM 39 C ILE A 3 26.604 31.497 9.494 1.00 0.00 C ATOM 40 O ILE A 3 27.408 32.409 9.498 1.00 0.00 O ATOM 41 CB ILE A 3 27.915 29.413 9.083 1.00 0.00 C ATOM 42 CG1 ILE A 3 28.081 28.210 8.154 1.00 0.00 C ATOM 43 CG2 ILE A 3 27.593 28.923 10.497 1.00 0.00 C ATOM 44 CD1 ILE A 3 29.346 27.447 8.534 1.00 0.00 C ATOM 0 H ILE A 3 28.059 30.579 6.890 1.00 0.00 H new ATOM 0 HA ILE A 3 25.849 29.718 8.555 1.00 0.00 H new ATOM 0 HB ILE A 3 28.838 29.992 9.104 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.212 27.556 8.229 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.141 28.542 7.118 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.408 28.297 10.859 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.471 29.780 11.160 1.00 0.00 H new ATOM 0 HG23 ILE A 3 26.670 28.343 10.480 1.00 0.00 H new ATOM 0 HD11 ILE A 3 29.466 26.589 7.873 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.210 28.104 8.436 1.00 0.00 H new ATOM 0 HD13 ILE A 3 29.267 27.102 9.565 1.00 0.00 H new ATOM 56 N PHE A 4 25.556 31.514 10.273 1.00 0.00 N ATOM 57 CA PHE A 4 25.321 32.667 11.193 1.00 0.00 C ATOM 58 C PHE A 4 26.063 32.449 12.514 1.00 0.00 C ATOM 59 O PHE A 4 26.229 31.335 12.971 1.00 0.00 O ATOM 60 CB PHE A 4 23.821 32.794 11.470 1.00 0.00 C ATOM 61 CG PHE A 4 23.122 33.302 10.233 1.00 0.00 C ATOM 62 CD1 PHE A 4 22.613 32.395 9.294 1.00 0.00 C ATOM 63 CD2 PHE A 4 22.981 34.679 10.024 1.00 0.00 C ATOM 64 CE1 PHE A 4 21.965 32.867 8.146 1.00 0.00 C ATOM 65 CE2 PHE A 4 22.332 35.150 8.876 1.00 0.00 C ATOM 66 CZ PHE A 4 21.824 34.244 7.937 1.00 0.00 C ATOM 0 H PHE A 4 24.851 30.778 10.313 1.00 0.00 H new ATOM 0 HA PHE A 4 25.691 33.578 10.724 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.411 31.827 11.761 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.651 33.476 12.303 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.720 31.333 9.456 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.373 35.378 10.748 1.00 0.00 H new ATOM 0 HE1 PHE A 4 21.574 32.168 7.421 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.223 36.212 8.715 1.00 0.00 H new ATOM 0 HZ PHE A 4 21.323 34.607 7.052 1.00 0.00 H new ATOM 76 N VAL A 5 26.499 33.514 13.133 1.00 0.00 N ATOM 77 CA VAL A 5 27.225 33.398 14.436 1.00 0.00 C ATOM 78 C VAL A 5 26.800 34.553 15.346 1.00 0.00 C ATOM 79 O VAL A 5 27.237 35.674 15.181 1.00 0.00 O ATOM 80 CB VAL A 5 28.732 33.472 14.188 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.475 33.389 15.522 1.00 0.00 C ATOM 82 CG2 VAL A 5 29.159 32.304 13.296 1.00 0.00 C ATOM 0 H VAL A 5 26.383 34.468 12.790 1.00 0.00 H new ATOM 0 HA VAL A 5 26.984 32.446 14.910 1.00 0.00 H new ATOM 0 HB VAL A 5 28.972 34.415 13.696 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.549 33.442 15.344 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.172 34.219 16.160 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.235 32.447 16.014 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.233 32.356 13.118 1.00 0.00 H new ATOM 0 HG22 VAL A 5 28.918 31.362 13.789 1.00 0.00 H new ATOM 0 HG23 VAL A 5 28.631 32.361 12.344 1.00 0.00 H new ATOM 92 N LYS A 6 25.945 34.290 16.303 1.00 0.00 N ATOM 93 CA LYS A 6 25.476 35.373 17.225 1.00 0.00 C ATOM 94 C LYS A 6 26.196 35.256 18.573 1.00 0.00 C ATOM 95 O LYS A 6 26.316 34.185 19.134 1.00 0.00 O ATOM 96 CB LYS A 6 23.968 35.226 17.445 1.00 0.00 C ATOM 97 CG LYS A 6 23.460 36.386 18.304 1.00 0.00 C ATOM 98 CD LYS A 6 21.944 36.273 18.469 1.00 0.00 C ATOM 99 CE LYS A 6 21.431 37.450 19.300 1.00 0.00 C ATOM 100 NZ LYS A 6 22.018 37.386 20.668 1.00 0.00 N ATOM 0 H LYS A 6 25.549 33.368 16.487 1.00 0.00 H new ATOM 0 HA LYS A 6 25.695 36.345 16.783 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.450 35.216 16.486 1.00 0.00 H new ATOM 0 HB3 LYS A 6 23.752 34.276 17.934 1.00 0.00 H new ATOM 0 HG2 LYS A 6 23.945 36.369 19.280 1.00 0.00 H new ATOM 0 HG3 LYS A 6 23.716 37.337 17.837 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.461 36.266 17.492 1.00 0.00 H new ATOM 0 HD3 LYS A 6 21.690 35.332 18.957 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.700 38.392 18.821 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.343 37.421 19.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.449 37.965 21.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.023 36.400 20.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.992 37.749 20.645 1.00 0.00 H new ATOM 114 N THR A 7 26.671 36.358 19.097 1.00 0.00 N ATOM 115 CA THR A 7 27.381 36.331 20.413 1.00 0.00 C ATOM 116 C THR A 7 26.413 36.772 21.514 1.00 0.00 C ATOM 117 O THR A 7 25.382 37.358 21.249 1.00 0.00 O ATOM 118 CB THR A 7 28.570 37.295 20.367 1.00 0.00 C ATOM 119 OG1 THR A 7 29.394 36.972 19.255 1.00 0.00 O ATOM 120 CG2 THR A 7 29.382 37.171 21.659 1.00 0.00 C ATOM 0 H THR A 7 26.597 37.280 18.668 1.00 0.00 H new ATOM 0 HA THR A 7 27.738 35.322 20.619 1.00 0.00 H new ATOM 0 HB THR A 7 28.206 38.318 20.267 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.060 37.431 18.456 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.228 37.858 21.625 1.00 0.00 H new ATOM 0 HG22 THR A 7 28.749 37.417 22.512 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.748 36.149 21.762 1.00 0.00 H new ATOM 128 N LEU A 8 26.733 36.496 22.749 1.00 0.00 N ATOM 129 CA LEU A 8 25.826 36.901 23.863 1.00 0.00 C ATOM 130 C LEU A 8 25.689 38.425 23.879 1.00 0.00 C ATOM 131 O LEU A 8 24.691 38.963 24.317 1.00 0.00 O ATOM 132 CB LEU A 8 26.410 36.422 25.199 1.00 0.00 C ATOM 133 CG LEU A 8 26.117 34.931 25.390 1.00 0.00 C ATOM 134 CD1 LEU A 8 26.694 34.137 24.215 1.00 0.00 C ATOM 135 CD2 LEU A 8 26.760 34.451 26.695 1.00 0.00 C ATOM 0 H LEU A 8 27.582 36.008 23.035 1.00 0.00 H new ATOM 0 HA LEU A 8 24.844 36.450 23.716 1.00 0.00 H new ATOM 0 HB2 LEU A 8 27.486 36.596 25.219 1.00 0.00 H new ATOM 0 HB3 LEU A 8 25.979 36.995 26.020 1.00 0.00 H new ATOM 0 HG LEU A 8 25.039 34.776 25.434 1.00 0.00 H new ATOM 0 HD11 LEU A 8 26.484 33.077 24.354 1.00 0.00 H new ATOM 0 HD12 LEU A 8 26.238 34.479 23.286 1.00 0.00 H new ATOM 0 HD13 LEU A 8 27.772 34.290 24.167 1.00 0.00 H new ATOM 0 HD21 LEU A 8 26.553 33.390 26.834 1.00 0.00 H new ATOM 0 HD22 LEU A 8 27.838 34.608 26.649 1.00 0.00 H new ATOM 0 HD23 LEU A 8 26.347 35.014 27.532 1.00 0.00 H new ATOM 147 N THR A 9 26.682 39.127 23.407 1.00 0.00 N ATOM 148 CA THR A 9 26.607 40.616 23.399 1.00 0.00 C ATOM 149 C THR A 9 25.743 41.077 22.223 1.00 0.00 C ATOM 150 O THR A 9 25.548 42.256 22.008 1.00 0.00 O ATOM 151 CB THR A 9 28.015 41.196 23.255 1.00 0.00 C ATOM 152 OG1 THR A 9 28.577 40.771 22.021 1.00 0.00 O ATOM 153 CG2 THR A 9 28.890 40.710 24.411 1.00 0.00 C ATOM 0 H THR A 9 27.543 38.734 23.026 1.00 0.00 H new ATOM 0 HA THR A 9 26.164 40.963 24.333 1.00 0.00 H new ATOM 0 HB THR A 9 27.963 42.285 23.275 1.00 0.00 H new ATOM 0 HG1 THR A 9 29.479 41.143 21.927 1.00 0.00 H new ATOM 0 HG21 THR A 9 29.893 41.124 24.307 1.00 0.00 H new ATOM 0 HG22 THR A 9 28.458 41.038 25.357 1.00 0.00 H new ATOM 0 HG23 THR A 9 28.943 39.621 24.394 1.00 0.00 H new ATOM 161 N GLY A 10 25.222 40.154 21.458 1.00 0.00 N ATOM 162 CA GLY A 10 24.370 40.534 20.292 1.00 0.00 C ATOM 163 C GLY A 10 25.254 40.740 19.063 1.00 0.00 C ATOM 164 O GLY A 10 24.779 40.801 17.946 1.00 0.00 O ATOM 0 H GLY A 10 25.350 39.151 21.591 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.633 39.755 20.097 1.00 0.00 H new ATOM 0 HA3 GLY A 10 23.818 41.447 20.513 1.00 0.00 H new ATOM 168 N LYS A 11 26.540 40.844 19.259 1.00 0.00 N ATOM 169 CA LYS A 11 27.455 41.043 18.100 1.00 0.00 C ATOM 170 C LYS A 11 27.253 39.903 17.101 1.00 0.00 C ATOM 171 O LYS A 11 27.658 38.781 17.334 1.00 0.00 O ATOM 172 CB LYS A 11 28.906 41.047 18.588 1.00 0.00 C ATOM 173 CG LYS A 11 29.839 41.341 17.412 1.00 0.00 C ATOM 174 CD LYS A 11 31.285 41.403 17.910 1.00 0.00 C ATOM 175 CE LYS A 11 32.218 41.690 16.734 1.00 0.00 C ATOM 176 NZ LYS A 11 33.625 41.764 17.222 1.00 0.00 N ATOM 0 H LYS A 11 26.996 40.800 20.170 1.00 0.00 H new ATOM 0 HA LYS A 11 27.236 41.996 17.618 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.037 41.799 19.367 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.155 40.083 19.031 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.738 40.567 16.652 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.564 42.286 16.943 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.387 42.181 18.667 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.559 40.460 18.383 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.124 40.907 15.982 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.938 42.628 16.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 34.260 41.959 16.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.709 42.526 17.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.889 40.858 17.660 1.00 0.00 H new ATOM 190 N THR A 12 26.626 40.180 15.987 1.00 0.00 N ATOM 191 CA THR A 12 26.391 39.112 14.968 1.00 0.00 C ATOM 192 C THR A 12 27.532 39.113 13.952 1.00 0.00 C ATOM 193 O THR A 12 28.106 40.140 13.645 1.00 0.00 O ATOM 194 CB THR A 12 25.070 39.379 14.244 1.00 0.00 C ATOM 195 OG1 THR A 12 24.005 39.366 15.185 1.00 0.00 O ATOM 196 CG2 THR A 12 24.836 38.297 13.189 1.00 0.00 C ATOM 0 H THR A 12 26.266 41.101 15.738 1.00 0.00 H new ATOM 0 HA THR A 12 26.347 38.143 15.465 1.00 0.00 H new ATOM 0 HB THR A 12 25.113 40.353 13.757 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.158 39.539 14.723 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.895 38.488 12.674 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.653 38.309 12.468 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.793 37.321 13.672 1.00 0.00 H new ATOM 204 N ILE A 13 27.857 37.966 13.415 1.00 0.00 N ATOM 205 CA ILE A 13 28.949 37.878 12.401 1.00 0.00 C ATOM 206 C ILE A 13 28.545 36.848 11.347 1.00 0.00 C ATOM 207 O ILE A 13 28.001 35.810 11.668 1.00 0.00 O ATOM 208 CB ILE A 13 30.251 37.435 13.078 1.00 0.00 C ATOM 209 CG1 ILE A 13 30.535 38.335 14.282 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.408 37.542 12.082 1.00 0.00 C ATOM 211 CD1 ILE A 13 31.860 37.925 14.927 1.00 0.00 C ATOM 0 H ILE A 13 27.408 37.078 13.638 1.00 0.00 H new ATOM 0 HA ILE A 13 29.107 38.851 11.937 1.00 0.00 H new ATOM 0 HB ILE A 13 30.150 36.402 13.411 1.00 0.00 H new ATOM 0 HG12 ILE A 13 30.579 39.378 13.967 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.726 38.255 15.008 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.333 37.227 12.564 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.209 36.901 11.223 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.506 38.575 11.748 1.00 0.00 H new ATOM 0 HD11 ILE A 13 32.061 38.567 15.785 1.00 0.00 H new ATOM 0 HD12 ILE A 13 31.799 36.888 15.257 1.00 0.00 H new ATOM 0 HD13 ILE A 13 32.666 38.028 14.200 1.00 0.00 H new ATOM 223 N THR A 14 28.805 37.121 10.091 1.00 0.00 N ATOM 224 CA THR A 14 28.435 36.157 9.005 1.00 0.00 C ATOM 225 C THR A 14 29.707 35.669 8.310 1.00 0.00 C ATOM 226 O THR A 14 30.520 36.456 7.867 1.00 0.00 O ATOM 227 CB THR A 14 27.545 36.867 7.982 1.00 0.00 C ATOM 228 OG1 THR A 14 28.235 37.994 7.459 1.00 0.00 O ATOM 229 CG2 THR A 14 26.253 37.326 8.659 1.00 0.00 C ATOM 0 H THR A 14 29.260 37.975 9.769 1.00 0.00 H new ATOM 0 HA THR A 14 27.900 35.309 9.433 1.00 0.00 H new ATOM 0 HB THR A 14 27.303 36.180 7.171 1.00 0.00 H new ATOM 0 HG1 THR A 14 29.201 37.829 7.489 1.00 0.00 H new ATOM 0 HG21 THR A 14 25.620 37.831 7.930 1.00 0.00 H new ATOM 0 HG22 THR A 14 25.725 36.461 9.060 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.492 38.013 9.470 1.00 0.00 H new ATOM 237 N LEU A 15 29.881 34.375 8.212 1.00 0.00 N ATOM 238 CA LEU A 15 31.097 33.810 7.545 1.00 0.00 C ATOM 239 C LEU A 15 30.664 32.986 6.331 1.00 0.00 C ATOM 240 O LEU A 15 30.001 31.977 6.458 1.00 0.00 O ATOM 241 CB LEU A 15 31.842 32.902 8.529 1.00 0.00 C ATOM 242 CG LEU A 15 32.037 33.630 9.864 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.737 32.695 10.853 1.00 0.00 C ATOM 244 CD2 LEU A 15 32.893 34.885 9.651 1.00 0.00 C ATOM 0 H LEU A 15 29.227 33.678 8.569 1.00 0.00 H new ATOM 0 HA LEU A 15 31.752 34.622 7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.280 31.981 8.685 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.809 32.618 8.115 1.00 0.00 H new ATOM 0 HG LEU A 15 31.065 33.923 10.262 1.00 0.00 H new ATOM 0 HD11 LEU A 15 32.877 33.210 11.803 1.00 0.00 H new ATOM 0 HD12 LEU A 15 32.126 31.806 11.008 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.708 32.402 10.452 1.00 0.00 H new ATOM 0 HD21 LEU A 15 33.029 35.399 10.603 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.866 34.598 9.251 1.00 0.00 H new ATOM 0 HD23 LEU A 15 32.394 35.551 8.947 1.00 0.00 H new ATOM 256 N GLU A 16 31.044 33.404 5.152 1.00 0.00 N ATOM 257 CA GLU A 16 30.666 32.641 3.924 1.00 0.00 C ATOM 258 C GLU A 16 31.800 31.677 3.580 1.00 0.00 C ATOM 259 O GLU A 16 32.883 32.088 3.213 1.00 0.00 O ATOM 260 CB GLU A 16 30.456 33.617 2.764 1.00 0.00 C ATOM 261 CG GLU A 16 29.548 34.762 3.216 1.00 0.00 C ATOM 262 CD GLU A 16 29.172 35.623 2.010 1.00 0.00 C ATOM 263 OE1 GLU A 16 30.021 35.813 1.155 1.00 0.00 O ATOM 264 OE2 GLU A 16 28.041 36.078 1.961 1.00 0.00 O ATOM 0 H GLU A 16 31.601 34.242 4.986 1.00 0.00 H new ATOM 0 HA GLU A 16 29.744 32.085 4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 16 31.415 34.011 2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.010 33.099 1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 16 28.649 34.363 3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.056 35.369 3.965 1.00 0.00 H new ATOM 271 N VAL A 17 31.570 30.398 3.701 1.00 0.00 N ATOM 272 CA VAL A 17 32.653 29.426 3.385 1.00 0.00 C ATOM 273 C VAL A 17 32.061 28.034 3.142 1.00 0.00 C ATOM 274 O VAL A 17 31.032 27.679 3.682 1.00 0.00 O ATOM 275 CB VAL A 17 33.631 29.374 4.556 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.871 29.063 5.846 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.673 28.287 4.307 1.00 0.00 C ATOM 0 H VAL A 17 30.686 29.987 4.002 1.00 0.00 H new ATOM 0 HA VAL A 17 33.173 29.745 2.482 1.00 0.00 H new ATOM 0 HB VAL A 17 34.129 30.339 4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 17 33.571 29.026 6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.130 29.841 6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.370 28.100 5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 17 35.370 28.252 5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.176 27.322 4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.219 28.509 3.390 1.00 0.00 H new ATOM 287 N GLU A 18 32.710 27.249 2.325 1.00 0.00 N ATOM 288 CA GLU A 18 32.198 25.878 2.029 1.00 0.00 C ATOM 289 C GLU A 18 32.204 25.026 3.318 1.00 0.00 C ATOM 290 O GLU A 18 33.247 24.824 3.909 1.00 0.00 O ATOM 291 CB GLU A 18 33.117 25.221 0.996 1.00 0.00 C ATOM 292 CG GLU A 18 33.111 26.046 -0.293 1.00 0.00 C ATOM 293 CD GLU A 18 34.038 25.395 -1.322 1.00 0.00 C ATOM 294 OE1 GLU A 18 34.754 24.481 -0.949 1.00 0.00 O ATOM 295 OE2 GLU A 18 34.013 25.822 -2.464 1.00 0.00 O ATOM 0 H GLU A 18 33.576 27.498 1.848 1.00 0.00 H new ATOM 0 HA GLU A 18 31.180 25.945 1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.131 25.149 1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.782 24.204 0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.098 26.111 -0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.439 27.065 -0.086 1.00 0.00 H new ATOM 302 N PRO A 19 31.067 24.518 3.759 1.00 0.00 N ATOM 303 CA PRO A 19 30.996 23.676 4.995 1.00 0.00 C ATOM 304 C PRO A 19 32.124 22.634 5.083 1.00 0.00 C ATOM 305 O PRO A 19 32.376 22.073 6.131 1.00 0.00 O ATOM 306 CB PRO A 19 29.635 22.982 4.874 1.00 0.00 C ATOM 307 CG PRO A 19 28.784 23.945 4.111 1.00 0.00 C ATOM 308 CD PRO A 19 29.727 24.687 3.153 1.00 0.00 C ATOM 0 HA PRO A 19 31.110 24.280 5.895 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.721 22.030 4.351 1.00 0.00 H new ATOM 0 HB3 PRO A 19 29.210 22.770 5.855 1.00 0.00 H new ATOM 0 HG2 PRO A 19 28.003 23.422 3.560 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.286 24.643 4.785 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.688 24.265 2.149 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.459 25.740 3.066 1.00 0.00 H new ATOM 316 N SER A 20 32.800 22.362 4.001 1.00 0.00 N ATOM 317 CA SER A 20 33.895 21.348 4.052 1.00 0.00 C ATOM 318 C SER A 20 35.111 21.953 4.756 1.00 0.00 C ATOM 319 O SER A 20 36.004 21.256 5.190 1.00 0.00 O ATOM 320 CB SER A 20 34.262 20.923 2.635 1.00 0.00 C ATOM 321 OG SER A 20 34.632 22.067 1.877 1.00 0.00 O ATOM 0 H SER A 20 32.645 22.793 3.090 1.00 0.00 H new ATOM 0 HA SER A 20 33.562 20.471 4.607 1.00 0.00 H new ATOM 0 HB2 SER A 20 35.085 20.209 2.660 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.417 20.420 2.165 1.00 0.00 H new ATOM 0 HG SER A 20 34.870 21.793 0.966 1.00 0.00 H new ATOM 327 N ASP A 21 35.140 23.244 4.881 1.00 0.00 N ATOM 328 CA ASP A 21 36.278 23.889 5.574 1.00 0.00 C ATOM 329 C ASP A 21 36.392 23.263 6.969 1.00 0.00 C ATOM 330 O ASP A 21 35.440 22.706 7.480 1.00 0.00 O ATOM 331 CB ASP A 21 36.012 25.392 5.677 1.00 0.00 C ATOM 332 CG ASP A 21 36.512 26.093 4.408 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.851 25.975 3.390 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.549 26.733 4.478 1.00 0.00 O ATOM 0 H ASP A 21 34.424 23.881 4.533 1.00 0.00 H new ATOM 0 HA ASP A 21 37.210 23.740 5.028 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.945 25.574 5.809 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.516 25.801 6.553 1.00 0.00 H new ATOM 339 N THR A 22 37.538 23.331 7.589 1.00 0.00 N ATOM 340 CA THR A 22 37.689 22.720 8.938 1.00 0.00 C ATOM 341 C THR A 22 37.084 23.647 9.996 1.00 0.00 C ATOM 342 O THR A 22 36.796 24.800 9.736 1.00 0.00 O ATOM 343 CB THR A 22 39.184 22.507 9.218 1.00 0.00 C ATOM 344 OG1 THR A 22 39.832 22.114 8.016 1.00 0.00 O ATOM 345 CG2 THR A 22 39.372 21.415 10.274 1.00 0.00 C ATOM 0 H THR A 22 38.375 23.783 7.220 1.00 0.00 H new ATOM 0 HA THR A 22 37.169 21.763 8.974 1.00 0.00 H new ATOM 0 HB THR A 22 39.615 23.437 9.588 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.787 21.978 8.189 1.00 0.00 H new ATOM 0 HG21 THR A 22 40.436 21.272 10.465 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.875 21.712 11.197 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.940 20.482 9.913 1.00 0.00 H new ATOM 353 N ILE A 23 36.912 23.162 11.196 1.00 0.00 N ATOM 354 CA ILE A 23 36.353 24.022 12.270 1.00 0.00 C ATOM 355 C ILE A 23 37.431 25.000 12.734 1.00 0.00 C ATOM 356 O ILE A 23 37.198 26.185 12.865 1.00 0.00 O ATOM 357 CB ILE A 23 35.918 23.150 13.437 1.00 0.00 C ATOM 358 CG1 ILE A 23 34.770 22.251 12.974 1.00 0.00 C ATOM 359 CG2 ILE A 23 35.449 24.041 14.589 1.00 0.00 C ATOM 360 CD1 ILE A 23 34.446 21.213 14.048 1.00 0.00 C ATOM 0 H ILE A 23 37.135 22.207 11.476 1.00 0.00 H new ATOM 0 HA ILE A 23 35.493 24.576 11.894 1.00 0.00 H new ATOM 0 HB ILE A 23 36.751 22.536 13.780 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.887 22.855 12.764 1.00 0.00 H new ATOM 0 HG13 ILE A 23 35.042 21.751 12.045 1.00 0.00 H new ATOM 0 HG21 ILE A 23 35.137 23.418 15.427 1.00 0.00 H new ATOM 0 HG22 ILE A 23 36.267 24.689 14.904 1.00 0.00 H new ATOM 0 HG23 ILE A 23 34.609 24.652 14.258 1.00 0.00 H new ATOM 0 HD11 ILE A 23 33.627 20.579 13.706 1.00 0.00 H new ATOM 0 HD12 ILE A 23 35.326 20.598 14.237 1.00 0.00 H new ATOM 0 HD13 ILE A 23 34.153 21.720 14.967 1.00 0.00 H new ATOM 372 N GLU A 24 38.616 24.508 12.975 1.00 0.00 N ATOM 373 CA GLU A 24 39.719 25.399 13.422 1.00 0.00 C ATOM 374 C GLU A 24 39.930 26.492 12.372 1.00 0.00 C ATOM 375 O GLU A 24 40.439 27.556 12.662 1.00 0.00 O ATOM 376 CB GLU A 24 41.006 24.579 13.584 1.00 0.00 C ATOM 377 CG GLU A 24 41.055 23.486 12.515 1.00 0.00 C ATOM 378 CD GLU A 24 42.474 22.920 12.425 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.099 22.775 13.462 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.910 22.643 11.320 1.00 0.00 O ATOM 0 H GLU A 24 38.866 23.524 12.881 1.00 0.00 H new ATOM 0 HA GLU A 24 39.464 25.854 14.379 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.877 25.228 13.495 1.00 0.00 H new ATOM 0 HB3 GLU A 24 41.042 24.132 14.578 1.00 0.00 H new ATOM 0 HG2 GLU A 24 40.350 22.691 12.760 1.00 0.00 H new ATOM 0 HG3 GLU A 24 40.753 23.893 11.550 1.00 0.00 H new ATOM 387 N ASN A 25 39.520 26.246 11.159 1.00 0.00 N ATOM 388 CA ASN A 25 39.676 27.280 10.102 1.00 0.00 C ATOM 389 C ASN A 25 38.694 28.408 10.395 1.00 0.00 C ATOM 390 O ASN A 25 39.034 29.573 10.347 1.00 0.00 O ATOM 391 CB ASN A 25 39.368 26.669 8.733 1.00 0.00 C ATOM 392 CG ASN A 25 39.815 27.632 7.632 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.815 28.309 7.770 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.113 27.721 6.536 1.00 0.00 N ATOM 0 H ASN A 25 39.085 25.375 10.856 1.00 0.00 H new ATOM 0 HA ASN A 25 40.697 27.661 10.093 1.00 0.00 H new ATOM 0 HB2 ASN A 25 39.881 25.714 8.626 1.00 0.00 H new ATOM 0 HB3 ASN A 25 38.300 26.469 8.644 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.403 28.359 5.795 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.274 27.153 6.420 1.00 0.00 H new ATOM 401 N VAL A 26 37.478 28.067 10.722 1.00 0.00 N ATOM 402 CA VAL A 26 36.480 29.120 11.044 1.00 0.00 C ATOM 403 C VAL A 26 36.975 29.879 12.272 1.00 0.00 C ATOM 404 O VAL A 26 37.267 31.057 12.212 1.00 0.00 O ATOM 405 CB VAL A 26 35.135 28.462 11.356 1.00 0.00 C ATOM 406 CG1 VAL A 26 34.075 29.542 11.565 1.00 0.00 C ATOM 407 CG2 VAL A 26 34.728 27.563 10.189 1.00 0.00 C ATOM 0 H VAL A 26 37.135 27.108 10.779 1.00 0.00 H new ATOM 0 HA VAL A 26 36.356 29.802 10.202 1.00 0.00 H new ATOM 0 HB VAL A 26 35.223 27.863 12.262 1.00 0.00 H new ATOM 0 HG11 VAL A 26 33.117 29.073 11.787 1.00 0.00 H new ATOM 0 HG12 VAL A 26 34.367 30.182 12.397 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.984 30.142 10.660 1.00 0.00 H new ATOM 0 HG21 VAL A 26 33.770 27.093 10.409 1.00 0.00 H new ATOM 0 HG22 VAL A 26 34.639 28.162 9.282 1.00 0.00 H new ATOM 0 HG23 VAL A 26 35.485 26.793 10.042 1.00 0.00 H new ATOM 417 N LYS A 27 37.071 29.200 13.389 1.00 0.00 N ATOM 418 CA LYS A 27 37.548 29.849 14.645 1.00 0.00 C ATOM 419 C LYS A 27 38.718 30.788 14.336 1.00 0.00 C ATOM 420 O LYS A 27 38.974 31.736 15.050 1.00 0.00 O ATOM 421 CB LYS A 27 38.011 28.764 15.617 1.00 0.00 C ATOM 422 CG LYS A 27 36.803 27.951 16.084 1.00 0.00 C ATOM 423 CD LYS A 27 37.229 26.992 17.199 1.00 0.00 C ATOM 424 CE LYS A 27 35.987 26.397 17.866 1.00 0.00 C ATOM 425 NZ LYS A 27 35.184 25.656 16.852 1.00 0.00 N ATOM 0 H LYS A 27 36.836 28.212 13.482 1.00 0.00 H new ATOM 0 HA LYS A 27 36.737 30.427 15.088 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.737 28.111 15.132 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.511 29.217 16.473 1.00 0.00 H new ATOM 0 HG2 LYS A 27 36.020 28.618 16.444 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.384 27.390 15.248 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.851 26.196 16.790 1.00 0.00 H new ATOM 0 HD3 LYS A 27 37.832 27.521 17.937 1.00 0.00 H new ATOM 0 HE2 LYS A 27 36.281 25.726 18.673 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.386 27.189 18.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 34.291 25.339 17.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 34.978 26.282 16.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 35.721 24.830 16.520 1.00 0.00 H new ATOM 439 N ALA A 28 39.419 30.534 13.266 1.00 0.00 N ATOM 440 CA ALA A 28 40.560 31.417 12.902 1.00 0.00 C ATOM 441 C ALA A 28 40.016 32.788 12.479 1.00 0.00 C ATOM 442 O ALA A 28 40.369 33.807 13.037 1.00 0.00 O ATOM 443 CB ALA A 28 41.345 30.789 11.746 1.00 0.00 C ATOM 0 H ALA A 28 39.251 29.755 12.630 1.00 0.00 H new ATOM 0 HA ALA A 28 41.224 31.537 13.758 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.181 31.436 11.480 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.724 29.814 12.051 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.689 30.670 10.883 1.00 0.00 H new ATOM 449 N LYS A 29 39.159 32.813 11.495 1.00 0.00 N ATOM 450 CA LYS A 29 38.588 34.110 11.030 1.00 0.00 C ATOM 451 C LYS A 29 38.018 34.876 12.231 1.00 0.00 C ATOM 452 O LYS A 29 37.950 36.085 12.232 1.00 0.00 O ATOM 453 CB LYS A 29 37.470 33.856 10.002 1.00 0.00 C ATOM 454 CG LYS A 29 37.828 32.671 9.093 1.00 0.00 C ATOM 455 CD LYS A 29 39.228 32.862 8.502 1.00 0.00 C ATOM 456 CE LYS A 29 39.445 31.852 7.373 1.00 0.00 C ATOM 457 NZ LYS A 29 40.824 32.004 6.830 1.00 0.00 N ATOM 0 H LYS A 29 38.829 31.990 10.992 1.00 0.00 H new ATOM 0 HA LYS A 29 39.375 34.700 10.560 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.532 33.654 10.520 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.314 34.750 9.398 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.789 31.742 9.662 1.00 0.00 H new ATOM 0 HG3 LYS A 29 37.095 32.584 8.291 1.00 0.00 H new ATOM 0 HD2 LYS A 29 39.339 33.878 8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 29 39.983 32.727 9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.299 30.838 7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 29 38.712 32.011 6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 40.972 31.318 6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 40.947 32.968 6.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 41.516 31.832 7.587 1.00 0.00 H new ATOM 471 N ILE A 30 37.601 34.177 13.249 1.00 0.00 N ATOM 472 CA ILE A 30 37.035 34.863 14.442 1.00 0.00 C ATOM 473 C ILE A 30 38.176 35.299 15.368 1.00 0.00 C ATOM 474 O ILE A 30 38.384 36.470 15.601 1.00 0.00 O ATOM 475 CB ILE A 30 36.109 33.890 15.175 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.964 33.488 14.239 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.535 34.573 16.417 1.00 0.00 C ATOM 478 CD1 ILE A 30 34.119 32.393 14.892 1.00 0.00 C ATOM 0 H ILE A 30 37.628 33.159 13.306 1.00 0.00 H new ATOM 0 HA ILE A 30 36.471 35.744 14.137 1.00 0.00 H new ATOM 0 HB ILE A 30 36.668 33.004 15.475 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.342 34.355 14.017 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.366 33.132 13.290 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.875 33.881 16.940 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.349 34.869 17.079 1.00 0.00 H new ATOM 0 HG23 ILE A 30 34.971 35.457 16.118 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.307 32.112 14.222 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.743 31.522 15.091 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.704 32.764 15.829 1.00 0.00 H new ATOM 490 N GLN A 31 38.902 34.355 15.901 1.00 0.00 N ATOM 491 CA GLN A 31 40.027 34.668 16.826 1.00 0.00 C ATOM 492 C GLN A 31 40.798 35.908 16.354 1.00 0.00 C ATOM 493 O GLN A 31 41.118 36.784 17.132 1.00 0.00 O ATOM 494 CB GLN A 31 40.970 33.466 16.849 1.00 0.00 C ATOM 495 CG GLN A 31 42.136 33.748 17.790 1.00 0.00 C ATOM 496 CD GLN A 31 42.986 32.485 17.949 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.632 31.434 17.451 1.00 0.00 O ATOM 498 NE2 GLN A 31 44.100 32.545 18.625 1.00 0.00 N ATOM 0 H GLN A 31 38.759 33.360 15.730 1.00 0.00 H new ATOM 0 HA GLN A 31 39.630 34.873 17.820 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.433 32.576 17.176 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.341 33.263 15.844 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.746 34.561 17.396 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.762 34.071 18.761 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.396 33.427 19.042 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.675 31.710 18.736 1.00 0.00 H new ATOM 507 N ASP A 32 41.107 35.982 15.093 1.00 0.00 N ATOM 508 CA ASP A 32 41.871 37.160 14.580 1.00 0.00 C ATOM 509 C ASP A 32 40.981 38.411 14.588 1.00 0.00 C ATOM 510 O ASP A 32 41.341 39.441 15.125 1.00 0.00 O ATOM 511 CB ASP A 32 42.335 36.879 13.150 1.00 0.00 C ATOM 512 CG ASP A 32 43.136 38.076 12.629 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.529 38.962 12.051 1.00 0.00 O ATOM 514 OD2 ASP A 32 44.341 38.084 12.817 1.00 0.00 O ATOM 0 H ASP A 32 40.866 35.281 14.392 1.00 0.00 H new ATOM 0 HA ASP A 32 42.734 37.332 15.223 1.00 0.00 H new ATOM 0 HB2 ASP A 32 42.949 35.979 13.126 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.475 36.696 12.506 1.00 0.00 H new ATOM 519 N LYS A 33 39.840 38.330 13.971 1.00 0.00 N ATOM 520 CA LYS A 33 38.931 39.508 13.903 1.00 0.00 C ATOM 521 C LYS A 33 38.535 39.972 15.315 1.00 0.00 C ATOM 522 O LYS A 33 38.450 41.156 15.575 1.00 0.00 O ATOM 523 CB LYS A 33 37.687 39.116 13.105 1.00 0.00 C ATOM 524 CG LYS A 33 37.942 39.243 11.591 1.00 0.00 C ATOM 525 CD LYS A 33 39.313 38.661 11.196 1.00 0.00 C ATOM 526 CE LYS A 33 39.339 38.397 9.688 1.00 0.00 C ATOM 527 NZ LYS A 33 38.312 37.372 9.346 1.00 0.00 N ATOM 0 H LYS A 33 39.493 37.491 13.506 1.00 0.00 H new ATOM 0 HA LYS A 33 39.443 40.336 13.412 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.404 38.091 13.345 1.00 0.00 H new ATOM 0 HB3 LYS A 33 36.850 39.753 13.392 1.00 0.00 H new ATOM 0 HG2 LYS A 33 37.155 38.724 11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.894 40.292 11.300 1.00 0.00 H new ATOM 0 HD2 LYS A 33 40.107 39.356 11.468 1.00 0.00 H new ATOM 0 HD3 LYS A 33 39.498 37.736 11.741 1.00 0.00 H new ATOM 0 HE2 LYS A 33 39.143 39.320 9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 33 40.328 38.052 9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 38.701 36.712 8.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 38.046 36.847 10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 37.471 37.841 8.953 1.00 0.00 H new ATOM 541 N GLU A 34 38.290 39.067 16.228 1.00 0.00 N ATOM 542 CA GLU A 34 37.900 39.489 17.611 1.00 0.00 C ATOM 543 C GLU A 34 39.142 39.559 18.503 1.00 0.00 C ATOM 544 O GLU A 34 39.193 40.324 19.446 1.00 0.00 O ATOM 545 CB GLU A 34 36.911 38.479 18.199 1.00 0.00 C ATOM 546 CG GLU A 34 35.844 38.140 17.155 1.00 0.00 C ATOM 547 CD GLU A 34 34.674 37.428 17.836 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.927 36.612 18.706 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.543 37.711 17.474 1.00 0.00 O ATOM 0 H GLU A 34 38.342 38.059 16.079 1.00 0.00 H new ATOM 0 HA GLU A 34 37.432 40.472 17.563 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.437 37.574 18.503 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.442 38.891 19.093 1.00 0.00 H new ATOM 0 HG2 GLU A 34 35.496 39.050 16.667 1.00 0.00 H new ATOM 0 HG3 GLU A 34 36.269 37.504 16.378 1.00 0.00 H new ATOM 556 N GLY A 35 40.142 38.768 18.222 1.00 0.00 N ATOM 557 CA GLY A 35 41.370 38.796 19.068 1.00 0.00 C ATOM 558 C GLY A 35 41.094 38.056 20.378 1.00 0.00 C ATOM 559 O GLY A 35 41.727 38.297 21.386 1.00 0.00 O ATOM 0 H GLY A 35 40.162 38.106 17.446 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.201 38.328 18.540 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.662 39.826 19.273 1.00 0.00 H new ATOM 563 N ILE A 36 40.135 37.166 20.368 1.00 0.00 N ATOM 564 CA ILE A 36 39.773 36.405 21.591 1.00 0.00 C ATOM 565 C ILE A 36 40.220 34.940 21.443 1.00 0.00 C ATOM 566 O ILE A 36 39.542 34.153 20.812 1.00 0.00 O ATOM 567 CB ILE A 36 38.263 36.448 21.728 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.801 37.900 21.612 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.869 35.890 23.090 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.293 37.963 21.795 1.00 0.00 C ATOM 0 H ILE A 36 39.579 36.934 19.545 1.00 0.00 H new ATOM 0 HA ILE A 36 40.259 36.838 22.465 1.00 0.00 H new ATOM 0 HB ILE A 36 37.796 35.850 20.945 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.296 38.513 22.365 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.078 38.305 20.639 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.784 35.918 23.195 1.00 0.00 H new ATOM 0 HG22 ILE A 36 38.215 34.860 23.175 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.325 36.492 23.876 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.959 38.997 21.713 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.808 37.363 21.025 1.00 0.00 H new ATOM 0 HD13 ILE A 36 36.029 37.574 22.778 1.00 0.00 H new ATOM 582 N PRO A 37 41.342 34.561 22.012 1.00 0.00 N ATOM 583 CA PRO A 37 41.841 33.156 21.918 1.00 0.00 C ATOM 584 C PRO A 37 40.727 32.126 22.223 1.00 0.00 C ATOM 585 O PRO A 37 40.152 32.153 23.294 1.00 0.00 O ATOM 586 CB PRO A 37 42.936 33.099 22.991 1.00 0.00 C ATOM 587 CG PRO A 37 43.460 34.495 23.067 1.00 0.00 C ATOM 588 CD PRO A 37 42.260 35.409 22.800 1.00 0.00 C ATOM 0 HA PRO A 37 42.196 32.908 20.918 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.534 32.773 23.951 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.722 32.395 22.719 1.00 0.00 H new ATOM 0 HG2 PRO A 37 43.894 34.696 24.046 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.246 34.658 22.330 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.798 35.744 23.728 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.552 36.303 22.249 1.00 0.00 H new ATOM 596 N PRO A 38 40.419 31.226 21.310 1.00 0.00 N ATOM 597 CA PRO A 38 39.361 30.197 21.528 1.00 0.00 C ATOM 598 C PRO A 38 39.376 29.621 22.947 1.00 0.00 C ATOM 599 O PRO A 38 38.416 29.029 23.400 1.00 0.00 O ATOM 600 CB PRO A 38 39.711 29.128 20.506 1.00 0.00 C ATOM 601 CG PRO A 38 40.236 29.909 19.358 1.00 0.00 C ATOM 602 CD PRO A 38 41.019 31.077 19.970 1.00 0.00 C ATOM 0 HA PRO A 38 38.358 30.609 21.414 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.455 28.431 20.892 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.838 28.539 20.226 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.879 29.294 18.728 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.424 30.271 18.727 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.085 30.859 20.029 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.912 31.986 19.378 1.00 0.00 H new ATOM 610 N ASP A 39 40.464 29.784 23.646 1.00 0.00 N ATOM 611 CA ASP A 39 40.550 29.242 25.030 1.00 0.00 C ATOM 612 C ASP A 39 39.452 29.852 25.898 1.00 0.00 C ATOM 613 O ASP A 39 38.804 29.169 26.667 1.00 0.00 O ATOM 614 CB ASP A 39 41.918 29.580 25.625 1.00 0.00 C ATOM 615 CG ASP A 39 42.996 28.729 24.951 1.00 0.00 C ATOM 616 OD1 ASP A 39 42.635 27.781 24.272 1.00 0.00 O ATOM 617 OD2 ASP A 39 44.163 29.039 25.124 1.00 0.00 O ATOM 0 H ASP A 39 41.299 30.270 23.318 1.00 0.00 H new ATOM 0 HA ASP A 39 40.421 28.160 24.999 1.00 0.00 H new ATOM 0 HB2 ASP A 39 42.135 30.639 25.484 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.914 29.396 26.699 1.00 0.00 H new ATOM 622 N GLN A 40 39.247 31.134 25.797 1.00 0.00 N ATOM 623 CA GLN A 40 38.206 31.807 26.624 1.00 0.00 C ATOM 624 C GLN A 40 36.852 31.773 25.910 1.00 0.00 C ATOM 625 O GLN A 40 35.929 32.468 26.294 1.00 0.00 O ATOM 626 CB GLN A 40 38.618 33.263 26.840 1.00 0.00 C ATOM 627 CG GLN A 40 39.965 33.310 27.563 1.00 0.00 C ATOM 628 CD GLN A 40 40.303 34.759 27.924 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.536 35.425 28.590 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.425 35.278 27.509 1.00 0.00 N ATOM 0 H GLN A 40 39.762 31.752 25.170 1.00 0.00 H new ATOM 0 HA GLN A 40 38.115 31.288 27.578 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.689 33.778 25.882 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.860 33.783 27.426 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.927 32.699 28.465 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.745 32.891 26.927 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.069 34.719 26.950 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.658 36.243 27.744 1.00 0.00 H new ATOM 639 N GLN A 41 36.720 30.978 24.874 1.00 0.00 N ATOM 640 CA GLN A 41 35.418 30.907 24.132 1.00 0.00 C ATOM 641 C GLN A 41 35.024 29.446 23.898 1.00 0.00 C ATOM 642 O GLN A 41 35.849 28.606 23.599 1.00 0.00 O ATOM 643 CB GLN A 41 35.571 31.604 22.779 1.00 0.00 C ATOM 644 CG GLN A 41 36.045 33.043 22.995 1.00 0.00 C ATOM 645 CD GLN A 41 36.259 33.718 21.639 1.00 0.00 C ATOM 646 OE1 GLN A 41 37.070 33.275 20.848 1.00 0.00 O ATOM 647 NE2 GLN A 41 35.562 34.778 21.332 1.00 0.00 N ATOM 0 H GLN A 41 37.457 30.375 24.509 1.00 0.00 H new ATOM 0 HA GLN A 41 34.645 31.398 24.723 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.286 31.064 22.159 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.620 31.599 22.246 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.308 33.597 23.577 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.973 33.050 23.567 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.882 35.150 21.994 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.698 35.234 20.430 1.00 0.00 H new ATOM 656 N ARG A 42 33.753 29.152 24.008 1.00 0.00 N ATOM 657 CA ARG A 42 33.254 27.763 23.769 1.00 0.00 C ATOM 658 C ARG A 42 32.032 27.868 22.860 1.00 0.00 C ATOM 659 O ARG A 42 31.125 28.631 23.129 1.00 0.00 O ATOM 660 CB ARG A 42 32.858 27.120 25.106 1.00 0.00 C ATOM 661 CG ARG A 42 34.113 26.615 25.847 1.00 0.00 C ATOM 662 CD ARG A 42 34.462 25.191 25.393 1.00 0.00 C ATOM 663 NE ARG A 42 35.804 24.817 25.923 1.00 0.00 N ATOM 664 CZ ARG A 42 36.885 25.201 25.298 1.00 0.00 C ATOM 665 NH1 ARG A 42 38.060 24.871 25.763 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.792 25.913 24.208 1.00 0.00 N ATOM 0 H ARG A 42 33.029 29.826 24.257 1.00 0.00 H new ATOM 0 HA ARG A 42 34.025 27.147 23.306 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.329 27.845 25.724 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.172 26.291 24.930 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.952 27.282 25.652 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.939 26.629 26.923 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.709 24.489 25.751 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.460 25.134 24.305 1.00 0.00 H new ATOM 0 HE ARG A 42 35.878 24.261 26.775 1.00 0.00 H new ATOM 0 HH11 ARG A 42 38.134 24.314 26.614 1.00 0.00 H new ATOM 0 HH12 ARG A 42 38.904 25.171 25.275 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.875 26.170 23.843 1.00 0.00 H new ATOM 0 HH22 ARG A 42 37.637 26.212 23.721 1.00 0.00 H new ATOM 680 N LEU A 43 31.992 27.143 21.776 1.00 0.00 N ATOM 681 CA LEU A 43 30.818 27.253 20.863 1.00 0.00 C ATOM 682 C LEU A 43 29.720 26.275 21.284 1.00 0.00 C ATOM 683 O LEU A 43 29.986 25.183 21.741 1.00 0.00 O ATOM 684 CB LEU A 43 31.256 26.926 19.435 1.00 0.00 C ATOM 685 CG LEU A 43 32.535 27.693 19.062 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.689 27.693 17.547 1.00 0.00 C ATOM 687 CD2 LEU A 43 32.461 29.142 19.546 1.00 0.00 C ATOM 0 H LEU A 43 32.714 26.485 21.484 1.00 0.00 H new ATOM 0 HA LEU A 43 30.428 28.270 20.914 1.00 0.00 H new ATOM 0 HB2 LEU A 43 31.430 25.854 19.341 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.458 27.182 18.738 1.00 0.00 H new ATOM 0 HG LEU A 43 33.385 27.204 19.537 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.594 28.235 17.273 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.759 26.666 17.188 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.825 28.178 17.093 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.377 29.665 19.271 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.607 29.637 19.083 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.346 29.158 20.630 1.00 0.00 H new ATOM 699 N ILE A 44 28.487 26.667 21.104 1.00 0.00 N ATOM 700 CA ILE A 44 27.328 25.784 21.458 1.00 0.00 C ATOM 701 C ILE A 44 26.492 25.566 20.198 1.00 0.00 C ATOM 702 O ILE A 44 26.218 26.497 19.463 1.00 0.00 O ATOM 703 CB ILE A 44 26.464 26.469 22.522 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.307 26.776 23.773 1.00 0.00 C ATOM 705 CG2 ILE A 44 25.292 25.549 22.901 1.00 0.00 C ATOM 706 CD1 ILE A 44 27.978 25.504 24.313 1.00 0.00 C ATOM 0 H ILE A 44 28.226 27.576 20.721 1.00 0.00 H new ATOM 0 HA ILE A 44 27.688 24.832 21.848 1.00 0.00 H new ATOM 0 HB ILE A 44 26.078 27.405 22.118 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.068 27.517 23.530 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.673 27.212 24.545 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.677 26.036 23.658 1.00 0.00 H new ATOM 0 HG22 ILE A 44 24.687 25.347 22.017 1.00 0.00 H new ATOM 0 HG23 ILE A 44 25.680 24.610 23.297 1.00 0.00 H new ATOM 0 HD11 ILE A 44 28.567 25.750 25.197 1.00 0.00 H new ATOM 0 HD12 ILE A 44 27.213 24.774 24.579 1.00 0.00 H new ATOM 0 HD13 ILE A 44 28.630 25.084 23.548 1.00 0.00 H new ATOM 718 N PHE A 45 26.089 24.350 19.923 1.00 0.00 N ATOM 719 CA PHE A 45 25.285 24.095 18.695 1.00 0.00 C ATOM 720 C PHE A 45 24.319 22.926 18.939 1.00 0.00 C ATOM 721 O PHE A 45 24.718 21.782 19.031 1.00 0.00 O ATOM 722 CB PHE A 45 26.247 23.765 17.540 1.00 0.00 C ATOM 723 CG PHE A 45 25.526 23.017 16.435 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.583 23.679 15.643 1.00 0.00 C ATOM 725 CD2 PHE A 45 25.803 21.663 16.210 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.917 22.989 14.623 1.00 0.00 C ATOM 727 CE2 PHE A 45 25.138 20.972 15.192 1.00 0.00 C ATOM 728 CZ PHE A 45 24.195 21.635 14.397 1.00 0.00 C ATOM 0 H PHE A 45 26.283 23.528 20.495 1.00 0.00 H new ATOM 0 HA PHE A 45 24.697 24.977 18.440 1.00 0.00 H new ATOM 0 HB2 PHE A 45 26.675 24.686 17.143 1.00 0.00 H new ATOM 0 HB3 PHE A 45 27.076 23.163 17.912 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.368 24.723 15.818 1.00 0.00 H new ATOM 0 HD2 PHE A 45 26.531 21.152 16.823 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.189 23.501 14.011 1.00 0.00 H new ATOM 0 HE2 PHE A 45 25.352 19.928 15.019 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.682 21.102 13.610 1.00 0.00 H new ATOM 738 N ALA A 46 23.050 23.214 19.012 1.00 0.00 N ATOM 739 CA ALA A 46 22.035 22.139 19.212 1.00 0.00 C ATOM 740 C ALA A 46 22.283 21.366 20.513 1.00 0.00 C ATOM 741 O ALA A 46 21.824 20.250 20.661 1.00 0.00 O ATOM 742 CB ALA A 46 22.092 21.167 18.030 1.00 0.00 C ATOM 0 H ALA A 46 22.668 24.157 18.941 1.00 0.00 H new ATOM 0 HA ALA A 46 21.052 22.606 19.276 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.352 20.379 18.171 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.878 21.705 17.106 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.086 20.725 17.970 1.00 0.00 H new ATOM 748 N GLY A 47 22.975 21.934 21.469 1.00 0.00 N ATOM 749 CA GLY A 47 23.207 21.202 22.755 1.00 0.00 C ATOM 750 C GLY A 47 24.537 20.442 22.716 1.00 0.00 C ATOM 751 O GLY A 47 24.902 19.782 23.669 1.00 0.00 O ATOM 0 H GLY A 47 23.387 22.866 21.417 1.00 0.00 H new ATOM 0 HA2 GLY A 47 23.211 21.908 23.585 1.00 0.00 H new ATOM 0 HA3 GLY A 47 22.389 20.504 22.934 1.00 0.00 H new ATOM 755 N LYS A 48 25.265 20.527 21.628 1.00 0.00 N ATOM 756 CA LYS A 48 26.578 19.807 21.527 1.00 0.00 C ATOM 757 C LYS A 48 27.672 20.807 21.153 1.00 0.00 C ATOM 758 O LYS A 48 27.419 21.797 20.496 1.00 0.00 O ATOM 759 CB LYS A 48 26.485 18.738 20.445 1.00 0.00 C ATOM 760 CG LYS A 48 25.440 17.694 20.841 1.00 0.00 C ATOM 761 CD LYS A 48 25.363 16.614 19.761 1.00 0.00 C ATOM 762 CE LYS A 48 24.315 15.572 20.154 1.00 0.00 C ATOM 763 NZ LYS A 48 24.237 14.523 19.097 1.00 0.00 N ATOM 0 H LYS A 48 25.007 21.066 20.801 1.00 0.00 H new ATOM 0 HA LYS A 48 26.815 19.341 22.483 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.215 19.194 19.492 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.455 18.261 20.307 1.00 0.00 H new ATOM 0 HG2 LYS A 48 25.703 17.247 21.800 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.466 18.168 20.966 1.00 0.00 H new ATOM 0 HD2 LYS A 48 25.104 17.062 18.802 1.00 0.00 H new ATOM 0 HD3 LYS A 48 26.336 16.138 19.638 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.577 15.120 21.111 1.00 0.00 H new ATOM 0 HE3 LYS A 48 23.343 16.048 20.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 23.524 13.814 19.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 23.968 14.961 18.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 25.164 14.062 18.997 1.00 0.00 H new ATOM 777 N GLN A 49 28.893 20.561 21.560 1.00 0.00 N ATOM 778 CA GLN A 49 30.008 21.489 21.228 1.00 0.00 C ATOM 779 C GLN A 49 30.690 21.001 19.943 1.00 0.00 C ATOM 780 O GLN A 49 30.483 19.884 19.513 1.00 0.00 O ATOM 781 CB GLN A 49 31.017 21.474 22.392 1.00 0.00 C ATOM 782 CG GLN A 49 31.861 22.754 22.383 1.00 0.00 C ATOM 783 CD GLN A 49 33.121 22.547 23.227 1.00 0.00 C ATOM 784 OE1 GLN A 49 34.212 22.455 22.698 1.00 0.00 O ATOM 785 NE2 GLN A 49 33.017 22.469 24.526 1.00 0.00 N ATOM 0 H GLN A 49 29.163 19.748 22.113 1.00 0.00 H new ATOM 0 HA GLN A 49 29.635 22.502 21.078 1.00 0.00 H new ATOM 0 HB2 GLN A 49 30.487 21.387 23.340 1.00 0.00 H new ATOM 0 HB3 GLN A 49 31.666 20.602 22.308 1.00 0.00 H new ATOM 0 HG2 GLN A 49 32.135 23.013 21.360 1.00 0.00 H new ATOM 0 HG3 GLN A 49 31.280 23.587 22.778 1.00 0.00 H new ATOM 0 HE21 GLN A 49 32.102 22.546 24.970 1.00 0.00 H new ATOM 0 HE22 GLN A 49 33.851 22.331 25.097 1.00 0.00 H new ATOM 794 N LEU A 50 31.513 21.817 19.333 1.00 0.00 N ATOM 795 CA LEU A 50 32.220 21.387 18.085 1.00 0.00 C ATOM 796 C LEU A 50 33.645 20.957 18.452 1.00 0.00 C ATOM 797 O LEU A 50 34.321 21.612 19.219 1.00 0.00 O ATOM 798 CB LEU A 50 32.275 22.558 17.102 1.00 0.00 C ATOM 799 CG LEU A 50 30.882 23.175 16.951 1.00 0.00 C ATOM 800 CD1 LEU A 50 30.926 24.277 15.888 1.00 0.00 C ATOM 801 CD2 LEU A 50 29.877 22.093 16.527 1.00 0.00 C ATOM 0 H LEU A 50 31.727 22.764 19.645 1.00 0.00 H new ATOM 0 HA LEU A 50 31.689 20.556 17.622 1.00 0.00 H new ATOM 0 HB2 LEU A 50 32.979 23.310 17.457 1.00 0.00 H new ATOM 0 HB3 LEU A 50 32.638 22.215 16.133 1.00 0.00 H new ATOM 0 HG LEU A 50 30.570 23.600 17.905 1.00 0.00 H new ATOM 0 HD11 LEU A 50 29.935 24.717 15.779 1.00 0.00 H new ATOM 0 HD12 LEU A 50 31.634 25.048 16.192 1.00 0.00 H new ATOM 0 HD13 LEU A 50 31.240 23.851 14.935 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.887 22.537 16.421 1.00 0.00 H new ATOM 0 HD22 LEU A 50 30.186 21.663 15.574 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.844 21.310 17.285 1.00 0.00 H new ATOM 813 N GLU A 51 34.103 19.854 17.919 1.00 0.00 N ATOM 814 CA GLU A 51 35.481 19.371 18.247 1.00 0.00 C ATOM 815 C GLU A 51 36.479 19.880 17.205 1.00 0.00 C ATOM 816 O GLU A 51 36.119 20.201 16.089 1.00 0.00 O ATOM 817 CB GLU A 51 35.489 17.841 18.247 1.00 0.00 C ATOM 818 CG GLU A 51 34.486 17.325 19.279 1.00 0.00 C ATOM 819 CD GLU A 51 34.561 15.799 19.345 1.00 0.00 C ATOM 820 OE1 GLU A 51 35.304 15.227 18.565 1.00 0.00 O ATOM 821 OE2 GLU A 51 33.873 15.226 20.175 1.00 0.00 O ATOM 0 H GLU A 51 33.582 19.265 17.269 1.00 0.00 H new ATOM 0 HA GLU A 51 35.768 19.747 19.229 1.00 0.00 H new ATOM 0 HB2 GLU A 51 35.233 17.466 17.256 1.00 0.00 H new ATOM 0 HB3 GLU A 51 36.488 17.472 18.479 1.00 0.00 H new ATOM 0 HG2 GLU A 51 34.703 17.753 20.258 1.00 0.00 H new ATOM 0 HG3 GLU A 51 33.477 17.639 19.010 1.00 0.00 H new ATOM 828 N ASP A 52 37.732 19.952 17.563 1.00 0.00 N ATOM 829 CA ASP A 52 38.763 20.435 16.599 1.00 0.00 C ATOM 830 C ASP A 52 38.915 19.418 15.465 1.00 0.00 C ATOM 831 O ASP A 52 38.606 18.253 15.619 1.00 0.00 O ATOM 832 CB ASP A 52 40.101 20.598 17.321 1.00 0.00 C ATOM 833 CG ASP A 52 40.030 21.803 18.261 1.00 0.00 C ATOM 834 OD1 ASP A 52 39.095 22.576 18.132 1.00 0.00 O ATOM 835 OD2 ASP A 52 40.914 21.934 19.093 1.00 0.00 O ATOM 0 H ASP A 52 38.088 19.696 18.484 1.00 0.00 H new ATOM 0 HA ASP A 52 38.454 21.396 16.187 1.00 0.00 H new ATOM 0 HB2 ASP A 52 40.334 19.696 17.886 1.00 0.00 H new ATOM 0 HB3 ASP A 52 40.903 20.736 16.596 1.00 0.00 H new ATOM 840 N GLY A 53 39.382 19.848 14.326 1.00 0.00 N ATOM 841 CA GLY A 53 39.544 18.904 13.184 1.00 0.00 C ATOM 842 C GLY A 53 38.173 18.624 12.571 1.00 0.00 C ATOM 843 O GLY A 53 37.192 19.237 12.941 1.00 0.00 O ATOM 0 H GLY A 53 39.658 20.811 14.136 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.211 19.330 12.435 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.000 17.975 13.525 1.00 0.00 H new ATOM 847 N ARG A 54 38.094 17.710 11.637 1.00 0.00 N ATOM 848 CA ARG A 54 36.785 17.392 10.995 1.00 0.00 C ATOM 849 C ARG A 54 36.172 18.660 10.397 1.00 0.00 C ATOM 850 O ARG A 54 36.519 19.770 10.762 1.00 0.00 O ATOM 851 CB ARG A 54 35.828 16.778 12.024 1.00 0.00 C ATOM 852 CG ARG A 54 36.263 15.342 12.328 1.00 0.00 C ATOM 853 CD ARG A 54 35.356 14.747 13.406 1.00 0.00 C ATOM 854 NE ARG A 54 35.730 13.324 13.639 1.00 0.00 N ATOM 855 CZ ARG A 54 36.758 13.034 14.391 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.084 11.788 14.598 1.00 0.00 N ATOM 857 NH2 ARG A 54 37.458 13.991 14.935 1.00 0.00 N ATOM 0 H ARG A 54 38.886 17.168 11.291 1.00 0.00 H new ATOM 0 HA ARG A 54 36.951 16.670 10.195 1.00 0.00 H new ATOM 0 HB2 ARG A 54 35.830 17.372 12.938 1.00 0.00 H new ATOM 0 HB3 ARG A 54 34.808 16.787 11.640 1.00 0.00 H new ATOM 0 HG2 ARG A 54 36.213 14.737 11.423 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.300 15.329 12.664 1.00 0.00 H new ATOM 0 HD2 ARG A 54 35.451 15.315 14.331 1.00 0.00 H new ATOM 0 HD3 ARG A 54 34.313 14.814 13.097 1.00 0.00 H new ATOM 0 HE ARG A 54 35.184 12.576 13.211 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.536 11.040 14.173 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.887 11.562 15.185 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.203 14.965 14.773 1.00 0.00 H new ATOM 0 HH22 ARG A 54 38.261 13.765 15.522 1.00 0.00 H new ATOM 871 N THR A 55 35.262 18.497 9.466 1.00 0.00 N ATOM 872 CA THR A 55 34.604 19.669 8.812 1.00 0.00 C ATOM 873 C THR A 55 33.098 19.588 9.062 1.00 0.00 C ATOM 874 O THR A 55 32.600 18.598 9.559 1.00 0.00 O ATOM 875 CB THR A 55 34.850 19.617 7.300 1.00 0.00 C ATOM 876 OG1 THR A 55 34.098 18.552 6.739 1.00 0.00 O ATOM 877 CG2 THR A 55 36.340 19.401 7.002 1.00 0.00 C ATOM 0 H THR A 55 34.944 17.588 9.128 1.00 0.00 H new ATOM 0 HA THR A 55 35.012 20.593 9.221 1.00 0.00 H new ATOM 0 HB THR A 55 34.540 20.565 6.861 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.252 18.517 5.772 1.00 0.00 H new ATOM 0 HG21 THR A 55 36.494 19.367 5.923 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.918 20.222 7.425 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.667 18.460 7.445 1.00 0.00 H new ATOM 885 N LEU A 56 32.362 20.607 8.714 1.00 0.00 N ATOM 886 CA LEU A 56 30.890 20.559 8.933 1.00 0.00 C ATOM 887 C LEU A 56 30.284 19.501 8.005 1.00 0.00 C ATOM 888 O LEU A 56 29.523 18.648 8.429 1.00 0.00 O ATOM 889 CB LEU A 56 30.273 21.931 8.627 1.00 0.00 C ATOM 890 CG LEU A 56 30.680 22.954 9.705 1.00 0.00 C ATOM 891 CD1 LEU A 56 32.129 23.425 9.487 1.00 0.00 C ATOM 892 CD2 LEU A 56 29.740 24.161 9.636 1.00 0.00 C ATOM 0 H LEU A 56 32.714 21.466 8.290 1.00 0.00 H new ATOM 0 HA LEU A 56 30.681 20.302 9.972 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.603 22.275 7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 56 29.187 21.848 8.587 1.00 0.00 H new ATOM 0 HG LEU A 56 30.610 22.479 10.684 1.00 0.00 H new ATOM 0 HD11 LEU A 56 32.397 24.147 10.259 1.00 0.00 H new ATOM 0 HD12 LEU A 56 32.802 22.569 9.541 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.216 23.893 8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.024 24.888 10.397 1.00 0.00 H new ATOM 0 HD22 LEU A 56 29.811 24.621 8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 56 28.715 23.834 9.811 1.00 0.00 H new ATOM 904 N SER A 57 30.627 19.527 6.743 1.00 0.00 N ATOM 905 CA SER A 57 30.077 18.504 5.815 1.00 0.00 C ATOM 906 C SER A 57 30.575 17.133 6.269 1.00 0.00 C ATOM 907 O SER A 57 29.815 16.199 6.427 1.00 0.00 O ATOM 908 CB SER A 57 30.563 18.782 4.393 1.00 0.00 C ATOM 909 OG SER A 57 30.043 17.791 3.516 1.00 0.00 O ATOM 0 H SER A 57 31.259 20.207 6.321 1.00 0.00 H new ATOM 0 HA SER A 57 28.987 18.533 5.825 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.240 19.773 4.073 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.653 18.776 4.361 1.00 0.00 H new ATOM 0 HG SER A 57 30.352 17.968 2.603 1.00 0.00 H new ATOM 915 N ASP A 58 31.856 17.016 6.481 1.00 0.00 N ATOM 916 CA ASP A 58 32.426 15.717 6.927 1.00 0.00 C ATOM 917 C ASP A 58 31.648 15.205 8.142 1.00 0.00 C ATOM 918 O ASP A 58 31.538 14.014 8.353 1.00 0.00 O ATOM 919 CB ASP A 58 33.896 15.902 7.303 1.00 0.00 C ATOM 920 CG ASP A 58 34.471 14.568 7.782 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.401 14.308 8.972 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.973 13.829 6.950 1.00 0.00 O ATOM 0 H ASP A 58 32.535 17.768 6.364 1.00 0.00 H new ATOM 0 HA ASP A 58 32.349 14.993 6.116 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.459 16.266 6.444 1.00 0.00 H new ATOM 0 HB3 ASP A 58 33.990 16.653 8.087 1.00 0.00 H new ATOM 927 N TYR A 59 31.106 16.083 8.948 1.00 0.00 N ATOM 928 CA TYR A 59 30.346 15.600 10.137 1.00 0.00 C ATOM 929 C TYR A 59 29.006 15.029 9.659 1.00 0.00 C ATOM 930 O TYR A 59 28.386 14.239 10.341 1.00 0.00 O ATOM 931 CB TYR A 59 30.108 16.780 11.112 1.00 0.00 C ATOM 932 CG TYR A 59 31.110 16.737 12.254 1.00 0.00 C ATOM 933 CD1 TYR A 59 31.988 17.807 12.467 1.00 0.00 C ATOM 934 CD2 TYR A 59 31.151 15.621 13.100 1.00 0.00 C ATOM 935 CE1 TYR A 59 32.904 17.762 13.525 1.00 0.00 C ATOM 936 CE2 TYR A 59 32.068 15.576 14.157 1.00 0.00 C ATOM 937 CZ TYR A 59 32.944 16.647 14.369 1.00 0.00 C ATOM 938 OH TYR A 59 33.845 16.604 15.413 1.00 0.00 O ATOM 0 H TYR A 59 31.156 17.096 8.837 1.00 0.00 H new ATOM 0 HA TYR A 59 30.909 14.825 10.658 1.00 0.00 H new ATOM 0 HB2 TYR A 59 30.198 17.725 10.577 1.00 0.00 H new ATOM 0 HB3 TYR A 59 29.094 16.733 11.508 1.00 0.00 H new ATOM 0 HD1 TYR A 59 31.959 18.667 11.815 1.00 0.00 H new ATOM 0 HD2 TYR A 59 30.475 14.795 12.937 1.00 0.00 H new ATOM 0 HE1 TYR A 59 33.580 18.588 13.690 1.00 0.00 H new ATOM 0 HE2 TYR A 59 32.099 14.715 14.809 1.00 0.00 H new ATOM 0 HH TYR A 59 33.740 15.761 15.901 1.00 0.00 H new ATOM 948 N ASN A 60 28.559 15.419 8.493 1.00 0.00 N ATOM 949 CA ASN A 60 27.262 14.892 7.970 1.00 0.00 C ATOM 950 C ASN A 60 26.097 15.460 8.790 1.00 0.00 C ATOM 951 O ASN A 60 25.366 14.734 9.434 1.00 0.00 O ATOM 952 CB ASN A 60 27.258 13.355 8.038 1.00 0.00 C ATOM 953 CG ASN A 60 28.674 12.834 7.789 1.00 0.00 C ATOM 954 OD1 ASN A 60 29.266 12.212 8.649 1.00 0.00 O ATOM 955 ND2 ASN A 60 29.248 13.062 6.639 1.00 0.00 N ATOM 0 H ASN A 60 29.036 16.080 7.880 1.00 0.00 H new ATOM 0 HA ASN A 60 27.144 15.201 6.931 1.00 0.00 H new ATOM 0 HB2 ASN A 60 26.903 13.024 9.014 1.00 0.00 H new ATOM 0 HB3 ASN A 60 26.573 12.948 7.294 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.192 12.718 6.463 1.00 0.00 H new ATOM 0 HD22 ASN A 60 28.752 13.584 5.916 1.00 0.00 H new ATOM 962 N ILE A 61 25.915 16.752 8.765 1.00 0.00 N ATOM 963 CA ILE A 61 24.792 17.359 9.538 1.00 0.00 C ATOM 964 C ILE A 61 23.469 16.788 9.024 1.00 0.00 C ATOM 965 O ILE A 61 23.348 16.411 7.876 1.00 0.00 O ATOM 966 CB ILE A 61 24.799 18.882 9.355 1.00 0.00 C ATOM 967 CG1 ILE A 61 26.208 19.437 9.609 1.00 0.00 C ATOM 968 CG2 ILE A 61 23.817 19.517 10.342 1.00 0.00 C ATOM 969 CD1 ILE A 61 26.751 18.914 10.943 1.00 0.00 C ATOM 0 H ILE A 61 26.493 17.412 8.245 1.00 0.00 H new ATOM 0 HA ILE A 61 24.909 17.127 10.597 1.00 0.00 H new ATOM 0 HB ILE A 61 24.501 19.120 8.334 1.00 0.00 H new ATOM 0 HG12 ILE A 61 26.874 19.144 8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.181 20.527 9.621 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.821 20.599 10.213 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.814 19.133 10.156 1.00 0.00 H new ATOM 0 HG23 ILE A 61 24.116 19.272 11.361 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.751 19.315 11.111 1.00 0.00 H new ATOM 0 HD12 ILE A 61 26.093 19.229 11.753 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.797 17.825 10.916 1.00 0.00 H new ATOM 981 N GLN A 62 22.479 16.701 9.871 1.00 0.00 N ATOM 982 CA GLN A 62 21.170 16.136 9.433 1.00 0.00 C ATOM 983 C GLN A 62 20.451 17.114 8.499 1.00 0.00 C ATOM 984 O GLN A 62 20.091 16.773 7.389 1.00 0.00 O ATOM 985 CB GLN A 62 20.296 15.874 10.662 1.00 0.00 C ATOM 986 CG GLN A 62 20.876 14.706 11.463 1.00 0.00 C ATOM 987 CD GLN A 62 20.130 14.578 12.791 1.00 0.00 C ATOM 988 OE1 GLN A 62 19.634 15.554 13.321 1.00 0.00 O ATOM 989 NE2 GLN A 62 20.028 13.407 13.358 1.00 0.00 N ATOM 0 H GLN A 62 22.520 16.996 10.846 1.00 0.00 H new ATOM 0 HA GLN A 62 21.349 15.204 8.897 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.249 16.767 11.285 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.276 15.646 10.354 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.787 13.781 10.893 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.938 14.868 11.645 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.443 12.588 12.915 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.533 13.311 14.245 1.00 0.00 H new ATOM 998 N LYS A 63 20.221 18.322 8.938 1.00 0.00 N ATOM 999 CA LYS A 63 19.506 19.305 8.073 1.00 0.00 C ATOM 1000 C LYS A 63 20.454 19.850 7.000 1.00 0.00 C ATOM 1001 O LYS A 63 20.039 20.195 5.911 1.00 0.00 O ATOM 1002 CB LYS A 63 18.998 20.467 8.931 1.00 0.00 C ATOM 1003 CG LYS A 63 18.325 19.925 10.198 1.00 0.00 C ATOM 1004 CD LYS A 63 17.138 19.036 9.814 1.00 0.00 C ATOM 1005 CE LYS A 63 16.245 18.819 11.038 1.00 0.00 C ATOM 1006 NZ LYS A 63 15.125 17.903 10.680 1.00 0.00 N ATOM 0 H LYS A 63 20.496 18.671 9.856 1.00 0.00 H new ATOM 0 HA LYS A 63 18.666 18.805 7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.827 21.121 9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.290 21.069 8.361 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.043 19.354 10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.985 20.751 10.823 1.00 0.00 H new ATOM 0 HD2 LYS A 63 16.566 19.502 9.011 1.00 0.00 H new ATOM 0 HD3 LYS A 63 17.495 18.078 9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.828 18.396 11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.851 19.773 11.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.518 17.755 11.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.564 18.324 9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.510 16.989 10.366 1.00 0.00 H new ATOM 1020 N GLU A 64 21.721 19.933 7.294 1.00 0.00 N ATOM 1021 CA GLU A 64 22.686 20.459 6.285 1.00 0.00 C ATOM 1022 C GLU A 64 22.171 21.791 5.727 1.00 0.00 C ATOM 1023 O GLU A 64 22.696 22.314 4.765 1.00 0.00 O ATOM 1024 CB GLU A 64 22.826 19.454 5.139 1.00 0.00 C ATOM 1025 CG GLU A 64 23.070 18.057 5.710 1.00 0.00 C ATOM 1026 CD GLU A 64 23.249 17.061 4.563 1.00 0.00 C ATOM 1027 OE1 GLU A 64 22.523 17.172 3.589 1.00 0.00 O ATOM 1028 OE2 GLU A 64 24.108 16.202 4.678 1.00 0.00 O ATOM 0 H GLU A 64 22.131 19.660 8.187 1.00 0.00 H new ATOM 0 HA GLU A 64 23.655 20.612 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 64 21.923 19.456 4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.652 19.741 4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 64 23.957 18.061 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 64 22.231 17.758 6.338 1.00 0.00 H new HETATM 1035 N SEP A 65 21.145 22.341 6.321 1.00 0.00 N HETATM 1036 CA SEP A 65 20.594 23.639 5.824 1.00 0.00 C HETATM 1037 CB SEP A 65 19.093 23.696 6.114 1.00 0.00 C HETATM 1038 OG SEP A 65 18.533 24.826 5.461 1.00 0.00 O HETATM 1039 C SEP A 65 21.292 24.799 6.535 1.00 0.00 C HETATM 1040 O SEP A 65 22.452 24.717 6.886 1.00 0.00 O HETATM 1041 P SEP A 65 17.012 25.052 5.485 1.00 0.00 P HETATM 1042 O1P SEP A 65 16.406 23.864 4.662 1.00 0.00 O HETATM 1043 O2P SEP A 65 16.614 25.024 7.001 1.00 0.00 O HETATM 1044 O3P SEP A 65 16.791 26.449 4.811 1.00 0.00 O HETATM 0 HB3 SEP A 65 18.609 22.783 5.767 1.00 0.00 H new HETATM 0 HB2 SEP A 65 18.920 23.759 7.188 1.00 0.00 H new HETATM 0 HA SEP A 65 20.764 23.718 4.750 1.00 0.00 H new HETATM 0 H SEP A 65 20.529 21.664 6.771 1.00 0.00 H new HETATM 1049 N TPO A 66 20.593 25.879 6.752 1.00 0.00 N HETATM 1050 CA TPO A 66 21.216 27.044 7.442 1.00 0.00 C HETATM 1051 CB TPO A 66 20.166 28.136 7.650 1.00 0.00 C HETATM 1052 CG2 TPO A 66 20.855 29.436 8.070 1.00 0.00 C HETATM 1053 OG1 TPO A 66 19.454 28.344 6.439 1.00 0.00 O HETATM 1054 P TPO A 66 18.088 29.048 6.459 1.00 0.00 P HETATM 1055 O1P TPO A 66 17.476 28.804 5.037 1.00 0.00 O HETATM 1056 O2P TPO A 66 18.404 30.555 6.748 1.00 0.00 O HETATM 1057 O3P TPO A 66 17.281 28.351 7.608 1.00 0.00 O HETATM 1058 C TPO A 66 21.762 26.595 8.798 1.00 0.00 C HETATM 1059 O TPO A 66 21.017 26.265 9.699 1.00 0.00 O HETATM 0 HG23 TPO A 66 21.400 29.275 9.000 1.00 0.00 H new HETATM 0 HG22 TPO A 66 21.551 29.747 7.291 1.00 0.00 H new HETATM 0 HG21 TPO A 66 20.106 30.214 8.218 1.00 0.00 H new HETATM 0 HB TPO A 66 19.471 27.828 8.431 1.00 0.00 H new HETATM 0 HA TPO A 66 22.030 27.437 6.833 1.00 0.00 H new HETATM 0 H TPO A 66 19.605 25.905 6.498 1.00 0.00 H new ATOM 1066 N LEU A 67 23.059 26.574 8.950 1.00 0.00 N ATOM 1067 CA LEU A 67 23.655 26.142 10.247 1.00 0.00 C ATOM 1068 C LEU A 67 23.742 27.338 11.198 1.00 0.00 C ATOM 1069 O LEU A 67 24.316 28.361 10.876 1.00 0.00 O ATOM 1070 CB LEU A 67 25.058 25.582 9.998 1.00 0.00 C ATOM 1071 CG LEU A 67 25.021 24.605 8.819 1.00 0.00 C ATOM 1072 CD1 LEU A 67 26.423 24.035 8.583 1.00 0.00 C ATOM 1073 CD2 LEU A 67 24.048 23.459 9.125 1.00 0.00 C ATOM 0 H LEU A 67 23.732 26.838 8.231 1.00 0.00 H new ATOM 0 HA LEU A 67 23.028 25.371 10.696 1.00 0.00 H new ATOM 0 HB2 LEU A 67 25.753 26.395 9.788 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.422 25.075 10.892 1.00 0.00 H new ATOM 0 HG LEU A 67 24.686 25.132 7.926 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.397 23.340 7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.113 24.848 8.359 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.758 23.511 9.478 1.00 0.00 H new ATOM 0 HD21 LEU A 67 24.025 22.767 8.283 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.377 22.931 10.020 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.049 23.864 9.289 1.00 0.00 H new ATOM 1085 N HIS A 68 23.169 27.213 12.368 1.00 0.00 N ATOM 1086 CA HIS A 68 23.201 28.332 13.362 1.00 0.00 C ATOM 1087 C HIS A 68 24.192 27.999 14.478 1.00 0.00 C ATOM 1088 O HIS A 68 24.155 26.931 15.055 1.00 0.00 O ATOM 1089 CB HIS A 68 21.806 28.513 13.963 1.00 0.00 C ATOM 1090 CG HIS A 68 21.837 29.629 14.972 1.00 0.00 C ATOM 1091 ND1 HIS A 68 21.949 30.961 14.598 1.00 0.00 N ATOM 1092 CD2 HIS A 68 21.773 29.628 16.344 1.00 0.00 C ATOM 1093 CE1 HIS A 68 21.949 31.700 15.724 1.00 0.00 C ATOM 1094 NE2 HIS A 68 21.843 30.935 16.813 1.00 0.00 N ATOM 0 H HIS A 68 22.676 26.377 12.681 1.00 0.00 H new ATOM 0 HA HIS A 68 23.511 29.251 12.864 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.086 28.739 13.177 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.480 27.588 14.438 1.00 0.00 H new ATOM 0 HD1 HIS A 68 22.019 31.316 13.644 1.00 0.00 H new ATOM 0 HD2 HIS A 68 21.682 28.748 16.963 1.00 0.00 H new ATOM 0 HE1 HIS A 68 22.025 32.777 15.744 1.00 0.00 H new ATOM 1103 N LEU A 69 25.072 28.915 14.793 1.00 0.00 N ATOM 1104 CA LEU A 69 26.073 28.681 15.883 1.00 0.00 C ATOM 1105 C LEU A 69 26.080 29.898 16.807 1.00 0.00 C ATOM 1106 O LEU A 69 25.825 31.006 16.376 1.00 0.00 O ATOM 1107 CB LEU A 69 27.472 28.514 15.275 1.00 0.00 C ATOM 1108 CG LEU A 69 27.458 27.421 14.199 1.00 0.00 C ATOM 1109 CD1 LEU A 69 28.779 27.457 13.431 1.00 0.00 C ATOM 1110 CD2 LEU A 69 27.296 26.043 14.849 1.00 0.00 C ATOM 0 H LEU A 69 25.142 29.825 14.338 1.00 0.00 H new ATOM 0 HA LEU A 69 25.808 27.780 16.437 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.802 29.458 14.840 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.187 28.256 16.056 1.00 0.00 H new ATOM 0 HG LEU A 69 26.623 27.599 13.521 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.775 26.682 12.664 1.00 0.00 H new ATOM 0 HD12 LEU A 69 28.900 28.433 12.960 1.00 0.00 H new ATOM 0 HD13 LEU A 69 29.605 27.282 14.120 1.00 0.00 H new ATOM 0 HD21 LEU A 69 27.287 25.275 14.076 1.00 0.00 H new ATOM 0 HD22 LEU A 69 28.127 25.862 15.531 1.00 0.00 H new ATOM 0 HD23 LEU A 69 26.358 26.010 15.403 1.00 0.00 H new ATOM 1122 N VAL A 70 26.373 29.713 18.072 1.00 0.00 N ATOM 1123 CA VAL A 70 26.401 30.869 19.022 1.00 0.00 C ATOM 1124 C VAL A 70 27.650 30.760 19.899 1.00 0.00 C ATOM 1125 O VAL A 70 27.886 29.755 20.539 1.00 0.00 O ATOM 1126 CB VAL A 70 25.147 30.841 19.901 1.00 0.00 C ATOM 1127 CG1 VAL A 70 23.903 30.895 19.012 1.00 0.00 C ATOM 1128 CG2 VAL A 70 25.127 29.553 20.736 1.00 0.00 C ATOM 0 H VAL A 70 26.594 28.808 18.488 1.00 0.00 H new ATOM 0 HA VAL A 70 26.424 31.806 18.465 1.00 0.00 H new ATOM 0 HB VAL A 70 25.155 31.701 20.570 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.009 30.875 19.635 1.00 0.00 H new ATOM 0 HG12 VAL A 70 23.915 31.813 18.424 1.00 0.00 H new ATOM 0 HG13 VAL A 70 23.897 30.035 18.342 1.00 0.00 H new ATOM 0 HG21 VAL A 70 24.233 29.538 21.360 1.00 0.00 H new ATOM 0 HG22 VAL A 70 25.121 28.689 20.072 1.00 0.00 H new ATOM 0 HG23 VAL A 70 26.013 29.517 21.370 1.00 0.00 H new ATOM 1138 N LEU A 71 28.460 31.784 19.922 1.00 0.00 N ATOM 1139 CA LEU A 71 29.702 31.740 20.746 1.00 0.00 C ATOM 1140 C LEU A 71 29.366 32.097 22.192 1.00 0.00 C ATOM 1141 O LEU A 71 28.515 32.923 22.451 1.00 0.00 O ATOM 1142 CB LEU A 71 30.713 32.748 20.174 1.00 0.00 C ATOM 1143 CG LEU A 71 32.105 32.586 20.849 1.00 0.00 C ATOM 1144 CD1 LEU A 71 33.216 32.864 19.828 1.00 0.00 C ATOM 1145 CD2 LEU A 71 32.254 33.577 22.014 1.00 0.00 C ATOM 0 H LEU A 71 28.315 32.651 19.405 1.00 0.00 H new ATOM 0 HA LEU A 71 30.133 30.739 20.721 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.808 32.603 19.098 1.00 0.00 H new ATOM 0 HB3 LEU A 71 30.346 33.763 20.327 1.00 0.00 H new ATOM 0 HG LEU A 71 32.186 31.566 21.223 1.00 0.00 H new ATOM 0 HD11 LEU A 71 34.188 32.749 20.308 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.134 32.160 19.000 1.00 0.00 H new ATOM 0 HD13 LEU A 71 33.116 33.881 19.450 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.233 33.451 22.476 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.158 34.596 21.639 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.477 33.388 22.754 1.00 0.00 H new ATOM 1157 N ARG A 72 30.032 31.478 23.139 1.00 0.00 N ATOM 1158 CA ARG A 72 29.769 31.766 24.585 1.00 0.00 C ATOM 1159 C ARG A 72 31.063 32.255 25.240 1.00 0.00 C ATOM 1160 O ARG A 72 32.141 32.083 24.706 1.00 0.00 O ATOM 1161 CB ARG A 72 29.303 30.478 25.274 1.00 0.00 C ATOM 1162 CG ARG A 72 28.642 30.818 26.612 1.00 0.00 C ATOM 1163 CD ARG A 72 28.132 29.534 27.271 1.00 0.00 C ATOM 1164 NE ARG A 72 27.297 29.883 28.455 1.00 0.00 N ATOM 1165 CZ ARG A 72 27.868 30.196 29.586 1.00 0.00 C ATOM 1166 NH1 ARG A 72 27.137 30.508 30.622 1.00 0.00 N ATOM 1167 NH2 ARG A 72 29.170 30.196 29.684 1.00 0.00 N ATOM 0 H ARG A 72 30.754 30.778 22.969 1.00 0.00 H new ATOM 0 HA ARG A 72 28.999 32.532 24.680 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.599 29.946 24.634 1.00 0.00 H new ATOM 0 HB3 ARG A 72 30.152 29.813 25.435 1.00 0.00 H new ATOM 0 HG2 ARG A 72 29.357 31.316 27.267 1.00 0.00 H new ATOM 0 HG3 ARG A 72 27.816 31.512 26.456 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.547 28.954 26.558 1.00 0.00 H new ATOM 0 HD3 ARG A 72 28.972 28.910 27.576 1.00 0.00 H new ATOM 0 HE ARG A 72 26.280 29.877 28.381 1.00 0.00 H new ATOM 0 HH11 ARG A 72 26.120 30.507 30.547 1.00 0.00 H new ATOM 0 HH12 ARG A 72 27.583 30.753 31.506 1.00 0.00 H new ATOM 0 HH21 ARG A 72 29.742 29.951 28.876 1.00 0.00 H new ATOM 0 HH22 ARG A 72 29.615 30.441 30.569 1.00 0.00 H new ATOM 1181 N LEU A 73 30.971 32.866 26.393 1.00 0.00 N ATOM 1182 CA LEU A 73 32.200 33.367 27.080 1.00 0.00 C ATOM 1183 C LEU A 73 32.678 32.328 28.098 1.00 0.00 C ATOM 1184 O LEU A 73 31.959 31.418 28.458 1.00 0.00 O ATOM 1185 CB LEU A 73 31.876 34.673 27.809 1.00 0.00 C ATOM 1186 CG LEU A 73 31.094 35.607 26.882 1.00 0.00 C ATOM 1187 CD1 LEU A 73 30.774 36.907 27.627 1.00 0.00 C ATOM 1188 CD2 LEU A 73 31.932 35.924 25.639 1.00 0.00 C ATOM 0 H LEU A 73 30.097 33.040 26.889 1.00 0.00 H new ATOM 0 HA LEU A 73 32.982 33.541 26.341 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.292 34.464 28.706 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.797 35.157 28.134 1.00 0.00 H new ATOM 0 HG LEU A 73 30.168 35.121 26.576 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.217 37.575 26.970 1.00 0.00 H new ATOM 0 HD12 LEU A 73 30.175 36.683 28.509 1.00 0.00 H new ATOM 0 HD13 LEU A 73 31.703 37.389 27.932 1.00 0.00 H new ATOM 0 HD21 LEU A 73 31.371 36.589 24.982 1.00 0.00 H new ATOM 0 HD22 LEU A 73 32.860 36.409 25.940 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.161 34.999 25.109 1.00 0.00 H new ATOM 1200 N ARG A 74 33.891 32.471 28.571 1.00 0.00 N ATOM 1201 CA ARG A 74 34.438 31.511 29.583 1.00 0.00 C ATOM 1202 C ARG A 74 34.442 32.184 30.957 1.00 0.00 C ATOM 1203 O ARG A 74 35.075 33.201 31.159 1.00 0.00 O ATOM 1204 CB ARG A 74 35.870 31.130 29.192 1.00 0.00 C ATOM 1205 CG ARG A 74 36.344 29.921 30.018 1.00 0.00 C ATOM 1206 CD ARG A 74 36.550 30.309 31.493 1.00 0.00 C ATOM 1207 NE ARG A 74 37.625 29.458 32.077 1.00 0.00 N ATOM 1208 CZ ARG A 74 38.215 29.819 33.185 1.00 0.00 C ATOM 1209 NH1 ARG A 74 39.157 29.074 33.694 1.00 0.00 N ATOM 1210 NH2 ARG A 74 37.861 30.924 33.782 1.00 0.00 N ATOM 0 H ARG A 74 34.531 33.217 28.298 1.00 0.00 H new ATOM 0 HA ARG A 74 33.821 30.613 29.618 1.00 0.00 H new ATOM 0 HB2 ARG A 74 35.913 30.893 28.129 1.00 0.00 H new ATOM 0 HB3 ARG A 74 36.537 31.976 29.357 1.00 0.00 H new ATOM 0 HG2 ARG A 74 35.610 29.118 29.948 1.00 0.00 H new ATOM 0 HG3 ARG A 74 37.277 29.537 29.605 1.00 0.00 H new ATOM 0 HD2 ARG A 74 36.821 31.362 31.570 1.00 0.00 H new ATOM 0 HD3 ARG A 74 35.622 30.177 32.049 1.00 0.00 H new ATOM 0 HE ARG A 74 37.900 28.593 31.611 1.00 0.00 H new ATOM 0 HH11 ARG A 74 39.432 28.210 33.227 1.00 0.00 H new ATOM 0 HH12 ARG A 74 39.618 29.355 34.559 1.00 0.00 H new ATOM 0 HH21 ARG A 74 37.124 31.505 33.383 1.00 0.00 H new ATOM 0 HH22 ARG A 74 38.321 31.206 34.647 1.00 0.00 H new ATOM 1224 N GLY A 75 33.738 31.624 31.903 1.00 0.00 N ATOM 1225 CA GLY A 75 33.698 32.230 33.265 1.00 0.00 C ATOM 1226 C GLY A 75 32.661 33.352 33.295 1.00 0.00 C ATOM 1227 O GLY A 75 31.929 33.562 32.348 1.00 0.00 O ATOM 0 H GLY A 75 33.188 30.772 31.792 1.00 0.00 H new ATOM 0 HA2 GLY A 75 33.448 31.470 34.005 1.00 0.00 H new ATOM 0 HA3 GLY A 75 34.680 32.622 33.529 1.00 0.00 H new ATOM 1231 N GLY A 76 32.590 34.079 34.378 1.00 0.00 N ATOM 1232 CA GLY A 76 31.599 35.187 34.467 1.00 0.00 C ATOM 1233 C GLY A 76 31.483 35.654 35.919 1.00 0.00 C ATOM 1234 O GLY A 76 30.484 35.340 36.544 1.00 0.00 O ATOM 1235 OXT GLY A 76 32.396 36.317 36.383 1.00 0.00 O ATOM 0 H GLY A 76 33.176 33.953 35.204 1.00 0.00 H new ATOM 0 HA2 GLY A 76 31.907 36.017 33.831 1.00 0.00 H new ATOM 0 HA3 GLY A 76 30.628 34.850 34.104 1.00 0.00 H new TER 1239 GLY A 76