USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 25 ASN : amide:sc= -1.95! C(o=-2.8!,f=-12!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 173:sc= -0.882! (180deg=-0.641) USER MOD Set 2.1: A 7 THR OG1 : rot -171:sc= 0.897 USER MOD Set 2.2: A 9 THR OG1 : rot 5:sc= 0.656 USER MOD Set 2.3: A 11 LYS NZ :NH3+ 166:sc= -0.0677 (180deg=-0.379) USER MOD Single : A 1 MET CE :methyl -153:sc= 0 (180deg=-0.398) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.91 (180deg=-0.0213) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 6 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 -87:sc= 2.07 USER MOD Single : A 20 SER OG : rot -43:sc= 1.05 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.48 USER MOD Single : A 27 LYS NZ :NH3+ -126:sc= 0.00222 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.678 X(o=-0.68,f=-0.88) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0125 K(o=-0.013,f=-1.2!) USER MOD Single : A 41 GLN : amide:sc= -1.65 X(o=-1.6,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.0234 (180deg=-0.445) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 174:sc= -1.04 USER MOD Single : A 60 ASN : amide:sc= -0.175 K(o=-0.18,f=-1.9) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ -165:sc=-0.00148 (180deg=-0.211) 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=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.219 30.811 2.393 1.00 0.00 N ATOM 2 CA MET A 1 32.276 32.186 2.959 1.00 0.00 C ATOM 3 C MET A 1 33.123 32.175 4.226 1.00 0.00 C ATOM 4 O MET A 1 33.460 31.114 4.750 1.00 0.00 O ATOM 5 CB MET A 1 30.858 32.666 3.278 1.00 0.00 C ATOM 6 CG MET A 1 30.277 31.853 4.439 1.00 0.00 C ATOM 7 SD MET A 1 28.505 32.193 4.584 1.00 0.00 S ATOM 8 CE MET A 1 28.272 31.555 6.264 1.00 0.00 C ATOM 0 H1 MET A 1 31.238 30.582 2.136 1.00 0.00 H new ATOM 0 H2 MET A 1 32.820 30.759 1.546 1.00 0.00 H new ATOM 0 H3 MET A 1 32.559 30.130 3.101 1.00 0.00 H new ATOM 0 HA MET A 1 32.725 32.865 2.234 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.873 33.725 3.537 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.224 32.562 2.398 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.442 30.789 4.270 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.785 32.111 5.368 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.242 31.222 6.387 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.947 30.716 6.431 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.487 32.343 6.986 1.00 0.00 H new ATOM 20 N GLN A 2 33.468 33.364 4.720 1.00 0.00 N ATOM 21 CA GLN A 2 34.278 33.488 5.929 1.00 0.00 C ATOM 22 C GLN A 2 33.482 34.169 7.041 1.00 0.00 C ATOM 23 O GLN A 2 32.540 34.917 6.778 1.00 0.00 O ATOM 24 CB GLN A 2 35.523 34.321 5.617 1.00 0.00 C ATOM 25 CG GLN A 2 36.428 33.558 4.645 1.00 0.00 C ATOM 26 CD GLN A 2 37.538 34.474 4.136 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.917 35.428 4.814 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.083 34.240 2.973 1.00 0.00 N ATOM 0 H GLN A 2 33.199 34.254 4.301 1.00 0.00 H new ATOM 0 HA GLN A 2 34.566 32.491 6.263 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.232 35.278 5.183 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.065 34.540 6.537 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.861 32.691 5.143 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.841 33.184 3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.768 33.449 2.412 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.824 34.849 2.625 1.00 0.00 H new ATOM 37 N ILE A 3 33.890 33.922 8.282 1.00 0.00 N ATOM 38 CA ILE A 3 33.239 34.538 9.437 1.00 0.00 C ATOM 39 C ILE A 3 34.204 34.599 10.608 1.00 0.00 C ATOM 40 O ILE A 3 35.307 34.056 10.547 1.00 0.00 O ATOM 41 CB ILE A 3 31.971 33.777 9.848 1.00 0.00 C ATOM 42 CG1 ILE A 3 32.284 32.276 9.990 1.00 0.00 C ATOM 43 CG2 ILE A 3 30.871 34.002 8.802 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.985 31.463 9.979 1.00 0.00 C ATOM 0 H ILE A 3 34.666 33.302 8.515 1.00 0.00 H new ATOM 0 HA ILE A 3 32.946 35.548 9.150 1.00 0.00 H new ATOM 0 HB ILE A 3 31.620 34.150 10.810 1.00 0.00 H new ATOM 0 HG12 ILE A 3 32.931 31.953 9.175 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.827 32.096 10.918 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.972 33.460 9.097 1.00 0.00 H new ATOM 0 HG22 ILE A 3 30.647 35.066 8.733 1.00 0.00 H new ATOM 0 HG23 ILE A 3 31.211 33.639 7.832 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.218 30.403 10.080 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.353 31.776 10.810 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.459 31.631 9.039 1.00 0.00 H new ATOM 56 N PHE A 4 33.783 35.276 11.670 1.00 0.00 N ATOM 57 CA PHE A 4 34.610 35.425 12.864 1.00 0.00 C ATOM 58 C PHE A 4 33.976 34.712 14.051 1.00 0.00 C ATOM 59 O PHE A 4 32.757 34.745 14.229 1.00 0.00 O ATOM 60 CB PHE A 4 34.760 36.907 13.200 1.00 0.00 C ATOM 61 CG PHE A 4 35.328 37.647 12.012 1.00 0.00 C ATOM 62 CD1 PHE A 4 34.466 38.209 11.065 1.00 0.00 C ATOM 63 CD2 PHE A 4 36.713 37.778 11.864 1.00 0.00 C ATOM 64 CE1 PHE A 4 34.988 38.904 9.967 1.00 0.00 C ATOM 65 CE2 PHE A 4 37.236 38.471 10.765 1.00 0.00 C ATOM 66 CZ PHE A 4 36.374 39.035 9.817 1.00 0.00 C ATOM 0 H PHE A 4 32.872 35.732 11.730 1.00 0.00 H new ATOM 0 HA PHE A 4 35.586 34.983 12.663 1.00 0.00 H new ATOM 0 HB2 PHE A 4 33.792 37.327 13.473 1.00 0.00 H new ATOM 0 HB3 PHE A 4 35.415 37.029 14.063 1.00 0.00 H new ATOM 0 HD1 PHE A 4 33.397 38.107 11.181 1.00 0.00 H new ATOM 0 HD2 PHE A 4 37.378 37.345 12.596 1.00 0.00 H new ATOM 0 HE1 PHE A 4 34.322 39.339 9.236 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.305 38.570 10.649 1.00 0.00 H new ATOM 0 HZ PHE A 4 36.778 39.571 8.971 1.00 0.00 H new ATOM 76 N VAL A 5 34.811 34.081 14.877 1.00 0.00 N ATOM 77 CA VAL A 5 34.335 33.377 16.065 1.00 0.00 C ATOM 78 C VAL A 5 34.880 34.066 17.306 1.00 0.00 C ATOM 79 O VAL A 5 36.086 34.272 17.445 1.00 0.00 O ATOM 80 CB VAL A 5 34.779 31.906 16.023 1.00 0.00 C ATOM 81 CG1 VAL A 5 34.635 31.270 17.417 1.00 0.00 C ATOM 82 CG2 VAL A 5 33.886 31.143 15.036 1.00 0.00 C ATOM 0 H VAL A 5 35.822 34.044 14.744 1.00 0.00 H new ATOM 0 HA VAL A 5 33.246 33.401 16.092 1.00 0.00 H new ATOM 0 HB VAL A 5 35.822 31.856 15.710 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.952 30.228 17.376 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.257 31.811 18.130 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.593 31.320 17.734 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.194 30.098 15.000 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.848 31.204 15.362 1.00 0.00 H new ATOM 0 HG23 VAL A 5 33.981 31.584 14.044 1.00 0.00 H new ATOM 92 N LYS A 6 33.969 34.436 18.189 1.00 0.00 N ATOM 93 CA LYS A 6 34.325 35.128 19.424 1.00 0.00 C ATOM 94 C LYS A 6 34.195 34.189 20.621 1.00 0.00 C ATOM 95 O LYS A 6 33.171 33.525 20.790 1.00 0.00 O ATOM 96 CB LYS A 6 33.386 36.318 19.599 1.00 0.00 C ATOM 97 CG LYS A 6 33.950 37.277 20.640 1.00 0.00 C ATOM 98 CD LYS A 6 32.981 38.450 20.813 1.00 0.00 C ATOM 99 CE LYS A 6 33.585 39.492 21.755 1.00 0.00 C ATOM 100 NZ LYS A 6 32.723 40.709 21.763 1.00 0.00 N ATOM 0 H LYS A 6 32.969 34.269 18.076 1.00 0.00 H new ATOM 0 HA LYS A 6 35.359 35.467 19.366 1.00 0.00 H new ATOM 0 HB2 LYS A 6 33.259 36.835 18.648 1.00 0.00 H new ATOM 0 HB3 LYS A 6 32.400 35.971 19.908 1.00 0.00 H new ATOM 0 HG2 LYS A 6 34.091 36.761 21.590 1.00 0.00 H new ATOM 0 HG3 LYS A 6 34.929 37.640 20.326 1.00 0.00 H new ATOM 0 HD2 LYS A 6 32.769 38.903 19.845 1.00 0.00 H new ATOM 0 HD3 LYS A 6 32.032 38.093 21.213 1.00 0.00 H new ATOM 0 HE2 LYS A 6 33.667 39.084 22.762 1.00 0.00 H new ATOM 0 HE3 LYS A 6 34.594 39.749 21.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 33.132 41.420 22.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 32.667 41.101 20.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 31.769 40.456 22.090 1.00 0.00 H new ATOM 114 N THR A 7 35.236 34.139 21.458 1.00 0.00 N ATOM 115 CA THR A 7 35.222 33.282 22.648 1.00 0.00 C ATOM 116 C THR A 7 35.020 34.125 23.906 1.00 0.00 C ATOM 117 O THR A 7 34.926 35.353 23.842 1.00 0.00 O ATOM 118 CB THR A 7 36.537 32.504 22.759 1.00 0.00 C ATOM 119 OG1 THR A 7 37.576 33.385 23.160 1.00 0.00 O ATOM 120 CG2 THR A 7 36.885 31.883 21.406 1.00 0.00 C ATOM 0 H THR A 7 36.093 34.678 21.335 1.00 0.00 H new ATOM 0 HA THR A 7 34.396 32.577 22.553 1.00 0.00 H new ATOM 0 HB THR A 7 36.426 31.712 23.500 1.00 0.00 H new ATOM 0 HG1 THR A 7 38.439 32.925 23.094 1.00 0.00 H new ATOM 0 HG21 THR A 7 37.821 31.331 21.489 1.00 0.00 H new ATOM 0 HG22 THR A 7 36.089 31.204 21.102 1.00 0.00 H new ATOM 0 HG23 THR A 7 36.994 32.671 20.661 1.00 0.00 H new ATOM 128 N LEU A 8 34.967 33.464 25.055 1.00 0.00 N ATOM 129 CA LEU A 8 34.779 34.170 26.316 1.00 0.00 C ATOM 130 C LEU A 8 36.048 34.928 26.702 1.00 0.00 C ATOM 131 O LEU A 8 36.013 35.799 27.570 1.00 0.00 O ATOM 132 CB LEU A 8 34.400 33.174 27.430 1.00 0.00 C ATOM 133 CG LEU A 8 32.882 32.957 27.453 1.00 0.00 C ATOM 134 CD1 LEU A 8 32.414 32.439 26.092 1.00 0.00 C ATOM 135 CD2 LEU A 8 32.527 31.937 28.537 1.00 0.00 C ATOM 0 H LEU A 8 35.050 32.451 25.141 1.00 0.00 H new ATOM 0 HA LEU A 8 33.970 34.889 26.191 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.908 32.224 27.266 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.735 33.552 28.396 1.00 0.00 H new ATOM 0 HG LEU A 8 32.387 33.904 27.668 1.00 0.00 H new ATOM 0 HD11 LEU A 8 31.335 32.286 26.112 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.663 33.167 25.320 1.00 0.00 H new ATOM 0 HD13 LEU A 8 32.910 31.494 25.872 1.00 0.00 H new ATOM 0 HD21 LEU A 8 31.448 31.783 28.553 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.025 30.991 28.324 1.00 0.00 H new ATOM 0 HD23 LEU A 8 32.855 32.309 29.508 1.00 0.00 H new ATOM 147 N THR A 9 37.167 34.598 26.058 1.00 0.00 N ATOM 148 CA THR A 9 38.435 35.268 26.360 1.00 0.00 C ATOM 149 C THR A 9 38.628 36.499 25.479 1.00 0.00 C ATOM 150 O THR A 9 39.709 37.089 25.460 1.00 0.00 O ATOM 151 CB THR A 9 39.605 34.303 26.163 1.00 0.00 C ATOM 152 OG1 THR A 9 39.513 33.695 24.883 1.00 0.00 O ATOM 153 CG2 THR A 9 39.568 33.225 27.250 1.00 0.00 C ATOM 0 H THR A 9 37.224 33.882 25.334 1.00 0.00 H new ATOM 0 HA THR A 9 38.405 35.589 27.401 1.00 0.00 H new ATOM 0 HB THR A 9 40.543 34.854 26.232 1.00 0.00 H new ATOM 0 HG1 THR A 9 38.766 34.090 24.386 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.402 32.537 27.109 1.00 0.00 H new ATOM 0 HG22 THR A 9 39.646 33.694 28.231 1.00 0.00 H new ATOM 0 HG23 THR A 9 38.629 32.675 27.185 1.00 0.00 H new ATOM 161 N GLY A 10 37.577 36.898 24.767 1.00 0.00 N ATOM 162 CA GLY A 10 37.660 38.076 23.911 1.00 0.00 C ATOM 163 C GLY A 10 38.584 37.834 22.726 1.00 0.00 C ATOM 164 O GLY A 10 39.092 38.780 22.123 1.00 0.00 O ATOM 0 H GLY A 10 36.671 36.430 24.765 1.00 0.00 H new ATOM 0 HA2 GLY A 10 36.665 38.338 23.551 1.00 0.00 H new ATOM 0 HA3 GLY A 10 38.023 38.925 24.491 1.00 0.00 H new ATOM 168 N LYS A 11 38.789 36.566 22.383 1.00 0.00 N ATOM 169 CA LYS A 11 39.640 36.216 21.252 1.00 0.00 C ATOM 170 C LYS A 11 38.799 36.143 19.986 1.00 0.00 C ATOM 171 O LYS A 11 37.720 35.550 19.987 1.00 0.00 O ATOM 172 CB LYS A 11 40.310 34.858 21.492 1.00 0.00 C ATOM 173 CG LYS A 11 41.375 34.986 22.585 1.00 0.00 C ATOM 174 CD LYS A 11 42.125 33.658 22.721 1.00 0.00 C ATOM 175 CE LYS A 11 43.298 33.824 23.690 1.00 0.00 C ATOM 176 NZ LYS A 11 42.778 34.065 25.066 1.00 0.00 N ATOM 0 H LYS A 11 38.380 35.768 22.869 1.00 0.00 H new ATOM 0 HA LYS A 11 40.410 36.980 21.142 1.00 0.00 H new ATOM 0 HB2 LYS A 11 39.562 34.121 21.786 1.00 0.00 H new ATOM 0 HB3 LYS A 11 40.766 34.500 20.569 1.00 0.00 H new ATOM 0 HG2 LYS A 11 42.072 35.786 22.337 1.00 0.00 H new ATOM 0 HG3 LYS A 11 40.909 35.252 23.534 1.00 0.00 H new ATOM 0 HD2 LYS A 11 41.449 32.883 23.083 1.00 0.00 H new ATOM 0 HD3 LYS A 11 42.489 33.334 21.746 1.00 0.00 H new ATOM 0 HE2 LYS A 11 43.923 32.931 23.677 1.00 0.00 H new ATOM 0 HE3 LYS A 11 43.927 34.657 23.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 43.548 33.942 25.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 42.406 35.034 25.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 42.017 33.387 25.273 1.00 0.00 H new ATOM 190 N THR A 12 39.298 36.734 18.902 1.00 0.00 N ATOM 191 CA THR A 12 38.586 36.717 17.623 1.00 0.00 C ATOM 192 C THR A 12 39.414 35.973 16.589 1.00 0.00 C ATOM 193 O THR A 12 40.574 36.305 16.345 1.00 0.00 O ATOM 194 CB THR A 12 38.333 38.144 17.132 1.00 0.00 C ATOM 195 OG1 THR A 12 37.599 38.858 18.117 1.00 0.00 O ATOM 196 CG2 THR A 12 37.526 38.094 15.829 1.00 0.00 C ATOM 0 H THR A 12 40.189 37.229 18.882 1.00 0.00 H new ATOM 0 HA THR A 12 37.629 36.215 17.764 1.00 0.00 H new ATOM 0 HB THR A 12 39.284 38.646 16.954 1.00 0.00 H new ATOM 0 HG1 THR A 12 37.437 39.773 17.805 1.00 0.00 H new ATOM 0 HG21 THR A 12 37.343 39.109 15.475 1.00 0.00 H new ATOM 0 HG22 THR A 12 38.087 37.542 15.075 1.00 0.00 H new ATOM 0 HG23 THR A 12 36.574 37.596 16.010 1.00 0.00 H new ATOM 204 N ILE A 13 38.804 34.963 15.983 1.00 0.00 N ATOM 205 CA ILE A 13 39.480 34.160 14.966 1.00 0.00 C ATOM 206 C ILE A 13 38.593 34.012 13.744 1.00 0.00 C ATOM 207 O ILE A 13 37.374 33.889 13.859 1.00 0.00 O ATOM 208 CB ILE A 13 39.830 32.783 15.526 1.00 0.00 C ATOM 209 CG1 ILE A 13 40.665 32.018 14.498 1.00 0.00 C ATOM 210 CG2 ILE A 13 38.548 32.011 15.819 1.00 0.00 C ATOM 211 CD1 ILE A 13 41.195 30.731 15.129 1.00 0.00 C ATOM 0 H ILE A 13 37.844 34.679 16.176 1.00 0.00 H new ATOM 0 HA ILE A 13 40.401 34.666 14.677 1.00 0.00 H new ATOM 0 HB ILE A 13 40.400 32.897 16.448 1.00 0.00 H new ATOM 0 HG12 ILE A 13 40.059 31.784 13.623 1.00 0.00 H new ATOM 0 HG13 ILE A 13 41.495 32.636 14.155 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.798 31.028 16.219 1.00 0.00 H new ATOM 0 HG22 ILE A 13 37.952 32.559 16.549 1.00 0.00 H new ATOM 0 HG23 ILE A 13 37.976 31.893 14.899 1.00 0.00 H new ATOM 0 HD11 ILE A 13 41.790 30.185 14.397 1.00 0.00 H new ATOM 0 HD12 ILE A 13 41.816 30.977 15.991 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.358 30.112 15.450 1.00 0.00 H new ATOM 223 N THR A 14 39.211 34.033 12.571 1.00 0.00 N ATOM 224 CA THR A 14 38.468 33.905 11.321 1.00 0.00 C ATOM 225 C THR A 14 38.592 32.491 10.771 1.00 0.00 C ATOM 226 O THR A 14 39.672 31.897 10.777 1.00 0.00 O ATOM 227 CB THR A 14 38.985 34.915 10.294 1.00 0.00 C ATOM 228 OG1 THR A 14 39.098 36.191 10.909 1.00 0.00 O ATOM 229 CG2 THR A 14 37.996 34.997 9.125 1.00 0.00 C ATOM 0 H THR A 14 40.219 34.137 12.457 1.00 0.00 H new ATOM 0 HA THR A 14 37.416 34.110 11.520 1.00 0.00 H new ATOM 0 HB THR A 14 39.961 34.600 9.925 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.240 36.660 10.849 1.00 0.00 H new ATOM 0 HG21 THR A 14 38.360 35.715 8.390 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.902 34.016 8.658 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.022 35.318 9.494 1.00 0.00 H new ATOM 237 N LEU A 15 37.465 31.957 10.311 1.00 0.00 N ATOM 238 CA LEU A 15 37.407 30.600 9.765 1.00 0.00 C ATOM 239 C LEU A 15 36.784 30.623 8.368 1.00 0.00 C ATOM 240 O LEU A 15 35.946 31.472 8.062 1.00 0.00 O ATOM 241 CB LEU A 15 36.548 29.719 10.716 1.00 0.00 C ATOM 242 CG LEU A 15 37.407 28.684 11.460 1.00 0.00 C ATOM 243 CD1 LEU A 15 38.462 29.389 12.327 1.00 0.00 C ATOM 244 CD2 LEU A 15 36.490 27.840 12.352 1.00 0.00 C ATOM 0 H LEU A 15 36.570 32.447 10.305 1.00 0.00 H new ATOM 0 HA LEU A 15 38.414 30.189 9.687 1.00 0.00 H new ATOM 0 HB2 LEU A 15 36.037 30.355 11.439 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.777 29.206 10.141 1.00 0.00 H new ATOM 0 HG LEU A 15 37.921 28.050 10.738 1.00 0.00 H new ATOM 0 HD11 LEU A 15 39.063 28.643 12.848 1.00 0.00 H new ATOM 0 HD12 LEU A 15 39.108 29.996 11.693 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.965 30.028 13.057 1.00 0.00 H new ATOM 0 HD21 LEU A 15 37.084 27.100 12.888 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.984 28.487 13.069 1.00 0.00 H new ATOM 0 HD23 LEU A 15 35.749 27.332 11.735 1.00 0.00 H new ATOM 256 N GLU A 16 37.176 29.658 7.538 1.00 0.00 N ATOM 257 CA GLU A 16 36.626 29.540 6.185 1.00 0.00 C ATOM 258 C GLU A 16 35.633 28.386 6.161 1.00 0.00 C ATOM 259 O GLU A 16 35.986 27.251 6.481 1.00 0.00 O ATOM 260 CB GLU A 16 37.742 29.284 5.166 1.00 0.00 C ATOM 261 CG GLU A 16 37.137 29.189 3.760 1.00 0.00 C ATOM 262 CD GLU A 16 38.248 29.111 2.716 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.163 28.329 2.912 1.00 0.00 O ATOM 264 OE2 GLU A 16 38.167 29.835 1.737 1.00 0.00 O ATOM 0 H GLU A 16 37.869 28.948 7.775 1.00 0.00 H new ATOM 0 HA GLU A 16 36.128 30.472 5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.476 30.089 5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.268 28.361 5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.498 28.309 3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.506 30.057 3.567 1.00 0.00 H new ATOM 271 N VAL A 17 34.384 28.679 5.800 1.00 0.00 N ATOM 272 CA VAL A 17 33.354 27.639 5.770 1.00 0.00 C ATOM 273 C VAL A 17 32.377 27.863 4.619 1.00 0.00 C ATOM 274 O VAL A 17 32.292 28.955 4.057 1.00 0.00 O ATOM 275 CB VAL A 17 32.602 27.603 7.120 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.567 27.946 8.256 1.00 0.00 C ATOM 277 CG2 VAL A 17 31.450 28.611 7.127 1.00 0.00 C ATOM 0 H VAL A 17 34.064 29.609 5.529 1.00 0.00 H new ATOM 0 HA VAL A 17 33.842 26.678 5.609 1.00 0.00 H new ATOM 0 HB VAL A 17 32.198 26.600 7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 17 33.034 27.920 9.206 1.00 0.00 H new ATOM 0 HG12 VAL A 17 34.379 27.219 8.275 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.976 28.944 8.097 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.935 28.568 8.087 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.844 29.615 6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.749 28.368 6.328 1.00 0.00 H new ATOM 287 N GLU A 18 31.622 26.815 4.298 1.00 0.00 N ATOM 288 CA GLU A 18 30.622 26.879 3.238 1.00 0.00 C ATOM 289 C GLU A 18 29.247 27.082 3.875 1.00 0.00 C ATOM 290 O GLU A 18 29.019 26.639 5.002 1.00 0.00 O ATOM 291 CB GLU A 18 30.641 25.567 2.440 1.00 0.00 C ATOM 292 CG GLU A 18 32.087 25.156 2.171 1.00 0.00 C ATOM 293 CD GLU A 18 32.114 23.919 1.280 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.048 23.461 0.905 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.200 23.449 0.986 1.00 0.00 O ATOM 0 H GLU A 18 31.685 25.908 4.760 1.00 0.00 H new ATOM 0 HA GLU A 18 30.840 27.707 2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.126 24.783 2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.106 25.694 1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.624 25.974 1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.597 24.949 3.112 1.00 0.00 H new ATOM 302 N PRO A 19 28.332 27.733 3.204 1.00 0.00 N ATOM 303 CA PRO A 19 26.970 27.977 3.760 1.00 0.00 C ATOM 304 C PRO A 19 26.222 26.669 4.001 1.00 0.00 C ATOM 305 O PRO A 19 25.167 26.656 4.635 1.00 0.00 O ATOM 306 CB PRO A 19 26.281 28.835 2.681 1.00 0.00 C ATOM 307 CG PRO A 19 27.031 28.539 1.425 1.00 0.00 C ATOM 308 CD PRO A 19 28.473 28.305 1.855 1.00 0.00 C ATOM 0 HA PRO A 19 26.995 28.470 4.732 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.227 28.576 2.583 1.00 0.00 H new ATOM 0 HB3 PRO A 19 26.327 29.895 2.929 1.00 0.00 H new ATOM 0 HG2 PRO A 19 26.624 27.661 0.923 1.00 0.00 H new ATOM 0 HG3 PRO A 19 26.961 29.369 0.722 1.00 0.00 H new ATOM 0 HD2 PRO A 19 28.989 27.622 1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.045 29.233 1.869 1.00 0.00 H new ATOM 316 N SER A 20 26.765 25.569 3.474 1.00 0.00 N ATOM 317 CA SER A 20 26.137 24.256 3.616 1.00 0.00 C ATOM 318 C SER A 20 26.915 23.370 4.588 1.00 0.00 C ATOM 319 O SER A 20 26.618 22.183 4.722 1.00 0.00 O ATOM 320 CB SER A 20 26.082 23.577 2.249 1.00 0.00 C ATOM 321 OG SER A 20 25.528 22.277 2.390 1.00 0.00 O ATOM 0 H SER A 20 27.638 25.563 2.946 1.00 0.00 H new ATOM 0 HA SER A 20 25.132 24.397 4.013 1.00 0.00 H new ATOM 0 HB2 SER A 20 25.478 24.169 1.561 1.00 0.00 H new ATOM 0 HB3 SER A 20 27.083 23.513 1.822 1.00 0.00 H new ATOM 0 HG SER A 20 25.916 21.840 3.176 1.00 0.00 H new ATOM 327 N ASP A 21 27.902 23.941 5.272 1.00 0.00 N ATOM 328 CA ASP A 21 28.691 23.180 6.225 1.00 0.00 C ATOM 329 C ASP A 21 27.810 22.729 7.385 1.00 0.00 C ATOM 330 O ASP A 21 26.875 23.429 7.775 1.00 0.00 O ATOM 331 CB ASP A 21 29.850 24.050 6.739 1.00 0.00 C ATOM 332 CG ASP A 21 31.006 24.047 5.736 1.00 0.00 C ATOM 333 OD1 ASP A 21 30.888 23.375 4.725 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.993 24.710 5.996 1.00 0.00 O ATOM 0 H ASP A 21 28.170 24.921 5.183 1.00 0.00 H new ATOM 0 HA ASP A 21 29.100 22.296 5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.503 25.071 6.900 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.195 23.675 7.702 1.00 0.00 H new ATOM 339 N THR A 22 28.110 21.555 7.933 1.00 0.00 N ATOM 340 CA THR A 22 27.338 21.022 9.052 1.00 0.00 C ATOM 341 C THR A 22 27.932 21.501 10.369 1.00 0.00 C ATOM 342 O THR A 22 29.143 21.698 10.477 1.00 0.00 O ATOM 343 CB THR A 22 27.348 19.492 9.020 1.00 0.00 C ATOM 344 OG1 THR A 22 28.681 19.025 9.182 1.00 0.00 O ATOM 345 CG2 THR A 22 26.791 18.999 7.685 1.00 0.00 C ATOM 0 H THR A 22 28.877 20.958 7.623 1.00 0.00 H new ATOM 0 HA THR A 22 26.311 21.377 8.965 1.00 0.00 H new ATOM 0 HB THR A 22 26.727 19.110 9.830 1.00 0.00 H new ATOM 0 HG1 THR A 22 28.689 18.045 9.163 1.00 0.00 H new ATOM 0 HG21 THR A 22 26.800 17.909 7.667 1.00 0.00 H new ATOM 0 HG22 THR A 22 25.768 19.355 7.564 1.00 0.00 H new ATOM 0 HG23 THR A 22 27.407 19.380 6.871 1.00 0.00 H new ATOM 353 N ILE A 23 27.079 21.682 11.365 1.00 0.00 N ATOM 354 CA ILE A 23 27.551 22.136 12.665 1.00 0.00 C ATOM 355 C ILE A 23 28.713 21.259 13.123 1.00 0.00 C ATOM 356 O ILE A 23 29.530 21.663 13.947 1.00 0.00 O ATOM 357 CB ILE A 23 26.416 22.075 13.692 1.00 0.00 C ATOM 358 CG1 ILE A 23 25.134 22.670 13.090 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.808 22.874 14.938 1.00 0.00 C ATOM 360 CD1 ILE A 23 25.428 24.042 12.473 1.00 0.00 C ATOM 0 H ILE A 23 26.073 21.525 11.302 1.00 0.00 H new ATOM 0 HA ILE A 23 27.890 23.168 12.579 1.00 0.00 H new ATOM 0 HB ILE A 23 26.238 21.035 13.964 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.735 21.999 12.330 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.371 22.766 13.863 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.000 22.830 15.668 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.713 22.449 15.373 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.991 23.912 14.662 1.00 0.00 H new ATOM 0 HD11 ILE A 23 24.512 24.454 12.049 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.806 24.714 13.244 1.00 0.00 H new ATOM 0 HD13 ILE A 23 26.175 23.935 11.687 1.00 0.00 H new ATOM 372 N GLU A 24 28.789 20.059 12.560 1.00 0.00 N ATOM 373 CA GLU A 24 29.860 19.134 12.903 1.00 0.00 C ATOM 374 C GLU A 24 31.152 19.548 12.205 1.00 0.00 C ATOM 375 O GLU A 24 32.184 19.748 12.845 1.00 0.00 O ATOM 376 CB GLU A 24 29.472 17.714 12.483 1.00 0.00 C ATOM 377 CG GLU A 24 28.059 17.402 12.987 1.00 0.00 C ATOM 378 CD GLU A 24 27.693 15.957 12.662 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.987 15.526 11.559 1.00 0.00 O ATOM 380 OE2 GLU A 24 27.125 15.303 13.520 1.00 0.00 O ATOM 0 H GLU A 24 28.127 19.706 11.869 1.00 0.00 H new ATOM 0 HA GLU A 24 30.018 19.157 13.981 1.00 0.00 H new ATOM 0 HB2 GLU A 24 29.512 17.620 11.398 1.00 0.00 H new ATOM 0 HB3 GLU A 24 30.183 16.995 12.891 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.004 17.566 14.063 1.00 0.00 H new ATOM 0 HG3 GLU A 24 27.342 18.080 12.524 1.00 0.00 H new ATOM 387 N ASN A 25 31.082 19.674 10.888 1.00 0.00 N ATOM 388 CA ASN A 25 32.247 20.068 10.101 1.00 0.00 C ATOM 389 C ASN A 25 32.814 21.393 10.606 1.00 0.00 C ATOM 390 O ASN A 25 34.029 21.565 10.693 1.00 0.00 O ATOM 391 CB ASN A 25 31.854 20.206 8.629 1.00 0.00 C ATOM 392 CG ASN A 25 33.100 20.342 7.761 1.00 0.00 C ATOM 393 OD1 ASN A 25 33.136 21.170 6.851 1.00 0.00 O ATOM 394 ND2 ASN A 25 34.129 19.572 7.985 1.00 0.00 N ATOM 0 H ASN A 25 30.236 19.511 10.342 1.00 0.00 H new ATOM 0 HA ASN A 25 33.012 19.298 10.205 1.00 0.00 H new ATOM 0 HB2 ASN A 25 31.277 19.336 8.316 1.00 0.00 H new ATOM 0 HB3 ASN A 25 31.213 21.078 8.497 1.00 0.00 H new ATOM 0 HD21 ASN A 25 34.964 19.656 7.406 1.00 0.00 H new ATOM 0 HD22 ASN A 25 34.098 18.886 8.739 1.00 0.00 H new ATOM 401 N VAL A 26 31.928 22.328 10.936 1.00 0.00 N ATOM 402 CA VAL A 26 32.366 23.630 11.425 1.00 0.00 C ATOM 403 C VAL A 26 33.062 23.485 12.776 1.00 0.00 C ATOM 404 O VAL A 26 34.083 24.123 13.030 1.00 0.00 O ATOM 405 CB VAL A 26 31.174 24.583 11.544 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.666 25.952 12.004 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.499 24.728 10.179 1.00 0.00 C ATOM 0 H VAL A 26 30.917 22.211 10.875 1.00 0.00 H new ATOM 0 HA VAL A 26 33.076 24.046 10.710 1.00 0.00 H new ATOM 0 HB VAL A 26 30.461 24.184 12.266 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.819 26.633 12.090 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.154 25.856 12.974 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.377 26.346 11.278 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.650 25.407 10.263 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.214 25.129 9.460 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.151 23.752 9.840 1.00 0.00 H new ATOM 417 N LYS A 27 32.516 22.633 13.639 1.00 0.00 N ATOM 418 CA LYS A 27 33.117 22.417 14.950 1.00 0.00 C ATOM 419 C LYS A 27 34.501 21.821 14.761 1.00 0.00 C ATOM 420 O LYS A 27 35.440 22.136 15.492 1.00 0.00 O ATOM 421 CB LYS A 27 32.242 21.476 15.788 1.00 0.00 C ATOM 422 CG LYS A 27 31.075 22.263 16.395 1.00 0.00 C ATOM 423 CD LYS A 27 30.042 21.290 16.966 1.00 0.00 C ATOM 424 CE LYS A 27 29.089 22.043 17.896 1.00 0.00 C ATOM 425 NZ LYS A 27 27.930 21.169 18.236 1.00 0.00 N ATOM 0 H LYS A 27 31.672 22.089 13.458 1.00 0.00 H new ATOM 0 HA LYS A 27 33.196 23.367 15.479 1.00 0.00 H new ATOM 0 HB2 LYS A 27 31.863 20.666 15.166 1.00 0.00 H new ATOM 0 HB3 LYS A 27 32.836 21.019 16.579 1.00 0.00 H new ATOM 0 HG2 LYS A 27 31.439 22.925 17.181 1.00 0.00 H new ATOM 0 HG3 LYS A 27 30.614 22.894 15.635 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.482 20.821 16.157 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.543 20.490 17.512 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.611 22.342 18.805 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.740 22.956 17.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.044 21.664 18.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 27.985 20.289 17.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.952 20.943 19.251 1.00 0.00 H new ATOM 439 N ALA A 28 34.615 20.961 13.761 1.00 0.00 N ATOM 440 CA ALA A 28 35.877 20.318 13.447 1.00 0.00 C ATOM 441 C ALA A 28 36.930 21.368 13.095 1.00 0.00 C ATOM 442 O ALA A 28 38.093 21.246 13.477 1.00 0.00 O ATOM 443 CB ALA A 28 35.660 19.361 12.270 1.00 0.00 C ATOM 0 H ALA A 28 33.843 20.692 13.151 1.00 0.00 H new ATOM 0 HA ALA A 28 36.234 19.759 14.312 1.00 0.00 H new ATOM 0 HB1 ALA A 28 36.601 18.870 12.022 1.00 0.00 H new ATOM 0 HB2 ALA A 28 34.919 18.610 12.544 1.00 0.00 H new ATOM 0 HB3 ALA A 28 35.305 19.922 11.406 1.00 0.00 H new ATOM 449 N LYS A 29 36.501 22.406 12.379 1.00 0.00 N ATOM 450 CA LYS A 29 37.410 23.483 11.996 1.00 0.00 C ATOM 451 C LYS A 29 37.906 24.202 13.249 1.00 0.00 C ATOM 452 O LYS A 29 39.087 24.543 13.367 1.00 0.00 O ATOM 453 CB LYS A 29 36.695 24.495 11.088 1.00 0.00 C ATOM 454 CG LYS A 29 36.356 23.855 9.739 1.00 0.00 C ATOM 455 CD LYS A 29 35.630 24.878 8.853 1.00 0.00 C ATOM 456 CE LYS A 29 35.254 24.223 7.522 1.00 0.00 C ATOM 457 NZ LYS A 29 34.307 23.100 7.773 1.00 0.00 N ATOM 0 H LYS A 29 35.541 22.523 12.056 1.00 0.00 H new ATOM 0 HA LYS A 29 38.251 23.051 11.454 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.783 24.846 11.571 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.330 25.368 10.934 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.267 23.514 9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.727 22.977 9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.735 25.242 9.357 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.270 25.742 8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.797 24.957 6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.148 23.854 7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 33.959 22.730 6.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 34.796 22.342 8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 33.504 23.443 8.338 1.00 0.00 H new ATOM 471 N ILE A 30 36.990 24.405 14.188 1.00 0.00 N ATOM 472 CA ILE A 30 37.321 25.064 15.435 1.00 0.00 C ATOM 473 C ILE A 30 38.280 24.203 16.250 1.00 0.00 C ATOM 474 O ILE A 30 39.287 24.693 16.748 1.00 0.00 O ATOM 475 CB ILE A 30 36.035 25.333 16.221 1.00 0.00 C ATOM 476 CG1 ILE A 30 35.220 26.406 15.488 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.382 25.831 17.624 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.832 26.531 16.123 1.00 0.00 C ATOM 0 H ILE A 30 36.014 24.121 14.105 1.00 0.00 H new ATOM 0 HA ILE A 30 37.815 26.013 15.225 1.00 0.00 H new ATOM 0 HB ILE A 30 35.455 24.413 16.301 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.738 27.364 15.535 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.125 26.146 14.434 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.464 26.021 18.180 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.971 25.075 18.143 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.959 26.753 17.551 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.259 27.295 15.597 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.313 25.575 16.053 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.935 26.812 17.171 1.00 0.00 H new ATOM 490 N GLN A 31 37.961 22.920 16.380 1.00 0.00 N ATOM 491 CA GLN A 31 38.811 22.009 17.141 1.00 0.00 C ATOM 492 C GLN A 31 40.208 21.953 16.534 1.00 0.00 C ATOM 493 O GLN A 31 41.211 21.994 17.245 1.00 0.00 O ATOM 494 CB GLN A 31 38.207 20.602 17.145 1.00 0.00 C ATOM 495 CG GLN A 31 39.092 19.666 17.976 1.00 0.00 C ATOM 496 CD GLN A 31 38.431 18.301 18.113 1.00 0.00 C ATOM 497 OE1 GLN A 31 38.521 17.670 19.167 1.00 0.00 O ATOM 498 NE2 GLN A 31 37.771 17.801 17.105 1.00 0.00 N ATOM 0 H GLN A 31 37.130 22.490 15.974 1.00 0.00 H new ATOM 0 HA GLN A 31 38.878 22.379 18.164 1.00 0.00 H new ATOM 0 HB2 GLN A 31 37.199 20.629 17.559 1.00 0.00 H new ATOM 0 HB3 GLN A 31 38.122 20.228 16.124 1.00 0.00 H new ATOM 0 HG2 GLN A 31 40.068 19.560 17.502 1.00 0.00 H new ATOM 0 HG3 GLN A 31 39.263 20.096 18.963 1.00 0.00 H new ATOM 0 HE21 GLN A 31 37.698 18.325 16.233 1.00 0.00 H new ATOM 0 HE22 GLN A 31 37.328 16.886 17.189 1.00 0.00 H new ATOM 507 N ASP A 32 40.261 21.833 15.217 1.00 0.00 N ATOM 508 CA ASP A 32 41.537 21.741 14.516 1.00 0.00 C ATOM 509 C ASP A 32 42.444 22.929 14.838 1.00 0.00 C ATOM 510 O ASP A 32 43.656 22.767 14.981 1.00 0.00 O ATOM 511 CB ASP A 32 41.297 21.676 13.006 1.00 0.00 C ATOM 512 CG ASP A 32 40.636 20.352 12.639 1.00 0.00 C ATOM 513 OD1 ASP A 32 40.710 19.433 13.439 1.00 0.00 O ATOM 514 OD2 ASP A 32 40.064 20.276 11.564 1.00 0.00 O ATOM 0 H ASP A 32 39.441 21.797 14.612 1.00 0.00 H new ATOM 0 HA ASP A 32 42.036 20.832 14.853 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.664 22.507 12.694 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.243 21.779 12.474 1.00 0.00 H new ATOM 519 N LYS A 33 41.866 24.128 14.929 1.00 0.00 N ATOM 520 CA LYS A 33 42.664 25.330 15.208 1.00 0.00 C ATOM 521 C LYS A 33 42.811 25.620 16.702 1.00 0.00 C ATOM 522 O LYS A 33 43.866 26.080 17.139 1.00 0.00 O ATOM 523 CB LYS A 33 42.030 26.539 14.516 1.00 0.00 C ATOM 524 CG LYS A 33 41.988 26.305 12.994 1.00 0.00 C ATOM 525 CD LYS A 33 43.374 26.550 12.374 1.00 0.00 C ATOM 526 CE LYS A 33 43.244 26.664 10.860 1.00 0.00 C ATOM 527 NZ LYS A 33 44.586 26.947 10.278 1.00 0.00 N ATOM 0 H LYS A 33 40.866 24.295 14.816 1.00 0.00 H new ATOM 0 HA LYS A 33 43.665 25.142 14.819 1.00 0.00 H new ATOM 0 HB2 LYS A 33 41.021 26.700 14.897 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.603 27.439 14.739 1.00 0.00 H new ATOM 0 HG2 LYS A 33 41.665 25.285 12.786 1.00 0.00 H new ATOM 0 HG3 LYS A 33 41.256 26.971 12.538 1.00 0.00 H new ATOM 0 HD2 LYS A 33 43.810 27.462 12.781 1.00 0.00 H new ATOM 0 HD3 LYS A 33 44.048 25.733 12.631 1.00 0.00 H new ATOM 0 HE2 LYS A 33 42.841 25.740 10.446 1.00 0.00 H new ATOM 0 HE3 LYS A 33 42.546 27.460 10.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.506 27.026 9.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.952 27.840 10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.238 26.173 10.516 1.00 0.00 H new ATOM 541 N GLU A 34 41.760 25.385 17.484 1.00 0.00 N ATOM 542 CA GLU A 34 41.810 25.674 18.923 1.00 0.00 C ATOM 543 C GLU A 34 42.143 24.431 19.752 1.00 0.00 C ATOM 544 O GLU A 34 42.438 24.539 20.942 1.00 0.00 O ATOM 545 CB GLU A 34 40.461 26.254 19.387 1.00 0.00 C ATOM 546 CG GLU A 34 40.663 27.101 20.663 1.00 0.00 C ATOM 547 CD GLU A 34 41.113 28.511 20.288 1.00 0.00 C ATOM 548 OE1 GLU A 34 40.504 29.088 19.401 1.00 0.00 O ATOM 549 OE2 GLU A 34 42.060 28.991 20.889 1.00 0.00 O ATOM 0 H GLU A 34 40.874 25.001 17.156 1.00 0.00 H new ATOM 0 HA GLU A 34 42.607 26.401 19.081 1.00 0.00 H new ATOM 0 HB2 GLU A 34 40.029 26.868 18.597 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.757 25.446 19.584 1.00 0.00 H new ATOM 0 HG2 GLU A 34 39.733 27.146 21.231 1.00 0.00 H new ATOM 0 HG3 GLU A 34 41.407 26.632 21.307 1.00 0.00 H new ATOM 556 N GLY A 35 42.123 23.262 19.125 1.00 0.00 N ATOM 557 CA GLY A 35 42.453 22.023 19.826 1.00 0.00 C ATOM 558 C GLY A 35 41.447 21.678 20.926 1.00 0.00 C ATOM 559 O GLY A 35 41.710 20.807 21.754 1.00 0.00 O ATOM 0 H GLY A 35 41.884 23.143 18.140 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.494 21.204 19.108 1.00 0.00 H new ATOM 0 HA3 GLY A 35 43.447 22.113 20.264 1.00 0.00 H new ATOM 563 N ILE A 36 40.297 22.350 20.937 1.00 0.00 N ATOM 564 CA ILE A 36 39.274 22.087 21.949 1.00 0.00 C ATOM 565 C ILE A 36 38.212 21.124 21.399 1.00 0.00 C ATOM 566 O ILE A 36 37.735 21.316 20.281 1.00 0.00 O ATOM 567 CB ILE A 36 38.610 23.407 22.340 1.00 0.00 C ATOM 568 CG1 ILE A 36 39.686 24.454 22.660 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.732 23.196 23.565 1.00 0.00 C ATOM 570 CD1 ILE A 36 40.682 23.904 23.691 1.00 0.00 C ATOM 0 H ILE A 36 40.051 23.075 20.263 1.00 0.00 H new ATOM 0 HA ILE A 36 39.742 21.630 22.821 1.00 0.00 H new ATOM 0 HB ILE A 36 37.998 23.758 21.509 1.00 0.00 H new ATOM 0 HG12 ILE A 36 40.214 24.732 21.748 1.00 0.00 H new ATOM 0 HG13 ILE A 36 39.217 25.360 23.045 1.00 0.00 H new ATOM 0 HG21 ILE A 36 37.260 24.139 23.841 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.963 22.458 23.338 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.344 22.840 24.394 1.00 0.00 H new ATOM 0 HD11 ILE A 36 41.438 24.660 23.906 1.00 0.00 H new ATOM 0 HD12 ILE A 36 40.152 23.649 24.609 1.00 0.00 H new ATOM 0 HD13 ILE A 36 41.164 23.012 23.291 1.00 0.00 H new ATOM 582 N PRO A 37 37.829 20.095 22.137 1.00 0.00 N ATOM 583 CA PRO A 37 36.804 19.118 21.656 1.00 0.00 C ATOM 584 C PRO A 37 35.392 19.723 21.650 1.00 0.00 C ATOM 585 O PRO A 37 35.087 20.609 22.451 1.00 0.00 O ATOM 586 CB PRO A 37 36.913 17.961 22.658 1.00 0.00 C ATOM 587 CG PRO A 37 37.397 18.596 23.921 1.00 0.00 C ATOM 588 CD PRO A 37 38.314 19.743 23.491 1.00 0.00 C ATOM 0 HA PRO A 37 36.977 18.807 20.626 1.00 0.00 H new ATOM 0 HB2 PRO A 37 35.950 17.472 22.805 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.608 17.198 22.307 1.00 0.00 H new ATOM 0 HG2 PRO A 37 36.562 18.966 24.517 1.00 0.00 H new ATOM 0 HG3 PRO A 37 37.935 17.877 24.538 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.243 20.590 24.174 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.359 19.434 23.474 1.00 0.00 H new ATOM 596 N PRO A 38 34.529 19.265 20.773 1.00 0.00 N ATOM 597 CA PRO A 38 33.130 19.780 20.670 1.00 0.00 C ATOM 598 C PRO A 38 32.281 19.392 21.877 1.00 0.00 C ATOM 599 O PRO A 38 31.183 19.914 22.067 1.00 0.00 O ATOM 600 CB PRO A 38 32.603 19.133 19.383 1.00 0.00 C ATOM 601 CG PRO A 38 33.373 17.867 19.276 1.00 0.00 C ATOM 602 CD PRO A 38 34.774 18.198 19.784 1.00 0.00 C ATOM 0 HA PRO A 38 33.091 20.869 20.648 1.00 0.00 H new ATOM 0 HB2 PRO A 38 31.531 18.944 19.441 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.767 19.775 18.517 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.915 17.078 19.873 1.00 0.00 H new ATOM 0 HG3 PRO A 38 33.403 17.512 18.246 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.254 17.331 20.238 1.00 0.00 H new ATOM 0 HD3 PRO A 38 35.425 18.537 18.978 1.00 0.00 H new ATOM 610 N ASP A 39 32.792 18.472 22.686 1.00 0.00 N ATOM 611 CA ASP A 39 32.064 18.025 23.865 1.00 0.00 C ATOM 612 C ASP A 39 32.098 19.082 24.960 1.00 0.00 C ATOM 613 O ASP A 39 31.238 19.097 25.841 1.00 0.00 O ATOM 614 CB ASP A 39 32.673 16.727 24.396 1.00 0.00 C ATOM 615 CG ASP A 39 31.871 16.225 25.592 1.00 0.00 C ATOM 616 OD1 ASP A 39 31.896 16.885 26.617 1.00 0.00 O ATOM 617 OD2 ASP A 39 31.243 15.187 25.465 1.00 0.00 O ATOM 0 H ASP A 39 33.699 18.025 22.549 1.00 0.00 H new ATOM 0 HA ASP A 39 31.027 17.853 23.576 1.00 0.00 H new ATOM 0 HB2 ASP A 39 32.681 15.972 23.610 1.00 0.00 H new ATOM 0 HB3 ASP A 39 33.710 16.895 24.688 1.00 0.00 H new ATOM 622 N GLN A 40 33.099 19.963 24.914 1.00 0.00 N ATOM 623 CA GLN A 40 33.237 21.017 25.921 1.00 0.00 C ATOM 624 C GLN A 40 32.804 22.369 25.366 1.00 0.00 C ATOM 625 O GLN A 40 32.740 23.355 26.105 1.00 0.00 O ATOM 626 CB GLN A 40 34.696 21.114 26.370 1.00 0.00 C ATOM 627 CG GLN A 40 35.095 19.829 27.099 1.00 0.00 C ATOM 628 CD GLN A 40 36.506 19.969 27.662 1.00 0.00 C ATOM 629 OE1 GLN A 40 36.931 21.072 28.006 1.00 0.00 O ATOM 630 NE2 GLN A 40 37.261 18.911 27.778 1.00 0.00 N ATOM 0 H GLN A 40 33.822 19.968 24.195 1.00 0.00 H new ATOM 0 HA GLN A 40 32.597 20.760 26.765 1.00 0.00 H new ATOM 0 HB2 GLN A 40 35.343 21.270 25.507 1.00 0.00 H new ATOM 0 HB3 GLN A 40 34.828 21.973 27.027 1.00 0.00 H new ATOM 0 HG2 GLN A 40 34.391 19.624 27.905 1.00 0.00 H new ATOM 0 HG3 GLN A 40 35.050 18.983 26.414 1.00 0.00 H new ATOM 0 HE21 GLN A 40 36.907 17.998 27.492 1.00 0.00 H new ATOM 0 HE22 GLN A 40 38.205 18.997 28.154 1.00 0.00 H new ATOM 639 N GLN A 41 32.535 22.423 24.061 1.00 0.00 N ATOM 640 CA GLN A 41 32.140 23.678 23.414 1.00 0.00 C ATOM 641 C GLN A 41 30.721 23.613 22.859 1.00 0.00 C ATOM 642 O GLN A 41 30.270 22.575 22.371 1.00 0.00 O ATOM 643 CB GLN A 41 33.099 23.979 22.259 1.00 0.00 C ATOM 644 CG GLN A 41 34.521 24.135 22.796 1.00 0.00 C ATOM 645 CD GLN A 41 35.478 24.426 21.648 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.620 23.612 20.736 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.147 25.547 21.636 1.00 0.00 N ATOM 0 H GLN A 41 32.582 21.620 23.434 1.00 0.00 H new ATOM 0 HA GLN A 41 32.179 24.462 24.170 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.064 23.174 21.525 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.792 24.891 21.747 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.557 24.944 23.525 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.826 23.225 23.314 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.028 26.220 22.393 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.789 25.750 20.870 1.00 0.00 H new ATOM 656 N ARG A 42 30.043 24.755 22.917 1.00 0.00 N ATOM 657 CA ARG A 42 28.682 24.893 22.400 1.00 0.00 C ATOM 658 C ARG A 42 28.616 26.152 21.538 1.00 0.00 C ATOM 659 O ARG A 42 29.193 27.180 21.894 1.00 0.00 O ATOM 660 CB ARG A 42 27.684 24.991 23.563 1.00 0.00 C ATOM 661 CG ARG A 42 27.598 23.648 24.310 1.00 0.00 C ATOM 662 CD ARG A 42 26.580 22.723 23.626 1.00 0.00 C ATOM 663 NE ARG A 42 26.473 21.460 24.350 1.00 0.00 N ATOM 664 CZ ARG A 42 25.578 20.540 23.997 1.00 0.00 C ATOM 665 NH1 ARG A 42 25.497 19.419 24.661 1.00 0.00 N ATOM 666 NH2 ARG A 42 24.784 20.756 22.984 1.00 0.00 N ATOM 0 H ARG A 42 30.420 25.612 23.323 1.00 0.00 H new ATOM 0 HA ARG A 42 28.421 24.021 21.800 1.00 0.00 H new ATOM 0 HB2 ARG A 42 27.993 25.778 24.251 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.700 25.267 23.184 1.00 0.00 H new ATOM 0 HG2 ARG A 42 28.578 23.171 24.329 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.306 23.818 25.346 1.00 0.00 H new ATOM 0 HD2 ARG A 42 25.606 23.210 23.586 1.00 0.00 H new ATOM 0 HD3 ARG A 42 26.885 22.535 22.597 1.00 0.00 H new ATOM 0 HE ARG A 42 27.094 21.280 25.139 1.00 0.00 H new ATOM 0 HH11 ARG A 42 26.120 19.248 25.451 1.00 0.00 H new ATOM 0 HH12 ARG A 42 24.811 18.714 24.390 1.00 0.00 H new ATOM 0 HH21 ARG A 42 24.849 21.630 22.462 1.00 0.00 H new ATOM 0 HH22 ARG A 42 24.098 20.051 22.714 1.00 0.00 H new ATOM 680 N LEU A 43 27.924 26.080 20.399 1.00 0.00 N ATOM 681 CA LEU A 43 27.813 27.234 19.497 1.00 0.00 C ATOM 682 C LEU A 43 26.381 27.763 19.464 1.00 0.00 C ATOM 683 O LEU A 43 25.431 27.000 19.279 1.00 0.00 O ATOM 684 CB LEU A 43 28.236 26.822 18.082 1.00 0.00 C ATOM 685 CG LEU A 43 29.584 26.090 18.130 1.00 0.00 C ATOM 686 CD1 LEU A 43 30.036 25.765 16.703 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.639 26.977 18.808 1.00 0.00 C ATOM 0 H LEU A 43 27.435 25.244 20.079 1.00 0.00 H new ATOM 0 HA LEU A 43 28.467 28.024 19.866 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.477 26.176 17.640 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.314 27.703 17.446 1.00 0.00 H new ATOM 0 HG LEU A 43 29.471 25.168 18.701 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.993 25.245 16.734 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.293 25.129 16.222 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.144 26.690 16.136 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.593 26.450 18.838 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.753 27.902 18.244 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.321 27.209 19.824 1.00 0.00 H new ATOM 699 N ILE A 44 26.230 29.079 19.659 1.00 0.00 N ATOM 700 CA ILE A 44 24.905 29.709 19.662 1.00 0.00 C ATOM 701 C ILE A 44 24.860 30.919 18.725 1.00 0.00 C ATOM 702 O ILE A 44 25.836 31.665 18.590 1.00 0.00 O ATOM 703 CB ILE A 44 24.543 30.145 21.088 1.00 0.00 C ATOM 704 CG1 ILE A 44 24.956 29.037 22.070 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.033 30.394 21.182 1.00 0.00 C ATOM 706 CD1 ILE A 44 24.304 29.268 23.439 1.00 0.00 C ATOM 0 H ILE A 44 27.004 29.724 19.816 1.00 0.00 H new ATOM 0 HA ILE A 44 24.181 28.977 19.304 1.00 0.00 H new ATOM 0 HB ILE A 44 25.068 31.067 21.339 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.659 28.065 21.678 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.041 29.020 22.175 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.778 30.704 22.195 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.749 31.179 20.481 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.497 29.477 20.937 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.606 28.476 24.124 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.623 30.232 23.836 1.00 0.00 H new ATOM 0 HD13 ILE A 44 23.219 29.261 23.331 1.00 0.00 H new ATOM 718 N PHE A 45 23.700 31.101 18.092 1.00 0.00 N ATOM 719 CA PHE A 45 23.469 32.212 17.168 1.00 0.00 C ATOM 720 C PHE A 45 21.994 32.596 17.224 1.00 0.00 C ATOM 721 O PHE A 45 21.131 31.728 17.345 1.00 0.00 O ATOM 722 CB PHE A 45 23.832 31.794 15.742 1.00 0.00 C ATOM 723 CG PHE A 45 23.573 32.938 14.785 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.545 33.929 14.599 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.366 33.000 14.076 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.309 34.983 13.707 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.130 34.056 13.185 1.00 0.00 C ATOM 728 CZ PHE A 45 23.103 35.046 13.000 1.00 0.00 C ATOM 0 H PHE A 45 22.896 30.484 18.205 1.00 0.00 H new ATOM 0 HA PHE A 45 24.090 33.060 17.455 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.881 31.501 15.696 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.245 30.924 15.449 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.477 33.881 15.143 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.618 32.234 14.216 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.058 35.748 13.565 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.198 34.106 12.641 1.00 0.00 H new ATOM 0 HZ PHE A 45 22.923 35.858 12.312 1.00 0.00 H new ATOM 738 N ALA A 46 21.698 33.886 17.147 1.00 0.00 N ATOM 739 CA ALA A 46 20.309 34.320 17.211 1.00 0.00 C ATOM 740 C ALA A 46 19.641 33.694 18.434 1.00 0.00 C ATOM 741 O ALA A 46 18.466 33.325 18.405 1.00 0.00 O ATOM 742 CB ALA A 46 19.569 33.912 15.936 1.00 0.00 C ATOM 0 H ALA A 46 22.382 34.635 17.043 1.00 0.00 H new ATOM 0 HA ALA A 46 20.273 35.406 17.297 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.532 34.242 15.996 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.048 34.375 15.073 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.599 32.828 15.829 1.00 0.00 H new ATOM 748 N GLY A 47 20.417 33.598 19.511 1.00 0.00 N ATOM 749 CA GLY A 47 19.941 33.043 20.775 1.00 0.00 C ATOM 750 C GLY A 47 19.550 31.564 20.684 1.00 0.00 C ATOM 751 O GLY A 47 18.967 31.031 21.627 1.00 0.00 O ATOM 0 H GLY A 47 21.390 33.902 19.532 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.719 33.159 21.530 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.079 33.618 21.114 1.00 0.00 H new ATOM 755 N LYS A 48 19.866 30.897 19.569 1.00 0.00 N ATOM 756 CA LYS A 48 19.519 29.470 19.417 1.00 0.00 C ATOM 757 C LYS A 48 20.766 28.597 19.322 1.00 0.00 C ATOM 758 O LYS A 48 21.738 28.951 18.654 1.00 0.00 O ATOM 759 CB LYS A 48 18.680 29.252 18.159 1.00 0.00 C ATOM 760 CG LYS A 48 17.370 30.032 18.262 1.00 0.00 C ATOM 761 CD LYS A 48 16.547 29.783 16.998 1.00 0.00 C ATOM 762 CE LYS A 48 15.229 30.551 17.079 1.00 0.00 C ATOM 763 NZ LYS A 48 14.409 30.015 18.200 1.00 0.00 N ATOM 0 H LYS A 48 20.351 31.307 18.771 1.00 0.00 H new ATOM 0 HA LYS A 48 18.950 29.186 20.302 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.237 29.576 17.280 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.471 28.190 18.031 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.812 29.717 19.144 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.573 31.097 18.376 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.109 30.099 16.119 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.351 28.717 16.885 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.423 31.613 17.232 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.684 30.459 16.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.416 30.293 18.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.479 28.978 18.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.758 30.400 19.101 1.00 0.00 H new ATOM 777 N GLN A 49 20.714 27.439 19.982 1.00 0.00 N ATOM 778 CA GLN A 49 21.818 26.495 19.962 1.00 0.00 C ATOM 779 C GLN A 49 21.786 25.677 18.674 1.00 0.00 C ATOM 780 O GLN A 49 20.726 25.207 18.260 1.00 0.00 O ATOM 781 CB GLN A 49 21.707 25.555 21.158 1.00 0.00 C ATOM 782 CG GLN A 49 21.931 26.334 22.454 1.00 0.00 C ATOM 783 CD GLN A 49 21.683 25.431 23.660 1.00 0.00 C ATOM 784 OE1 GLN A 49 22.374 24.428 23.839 1.00 0.00 O ATOM 785 NE2 GLN A 49 20.731 25.729 24.504 1.00 0.00 N ATOM 0 H GLN A 49 19.913 27.137 20.537 1.00 0.00 H new ATOM 0 HA GLN A 49 22.756 27.047 20.013 1.00 0.00 H new ATOM 0 HB2 GLN A 49 20.724 25.084 21.172 1.00 0.00 H new ATOM 0 HB3 GLN A 49 22.442 24.755 21.072 1.00 0.00 H new ATOM 0 HG2 GLN A 49 22.950 26.721 22.483 1.00 0.00 H new ATOM 0 HG3 GLN A 49 21.262 27.194 22.490 1.00 0.00 H new ATOM 0 HE21 GLN A 49 20.159 26.560 24.355 1.00 0.00 H new ATOM 0 HE22 GLN A 49 20.560 25.130 25.312 1.00 0.00 H new ATOM 794 N LEU A 50 22.941 25.515 18.035 1.00 0.00 N ATOM 795 CA LEU A 50 23.009 24.759 16.785 1.00 0.00 C ATOM 796 C LEU A 50 23.035 23.258 17.062 1.00 0.00 C ATOM 797 O LEU A 50 23.810 22.782 17.891 1.00 0.00 O ATOM 798 CB LEU A 50 24.254 25.168 15.997 1.00 0.00 C ATOM 799 CG LEU A 50 24.393 26.694 16.021 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.568 27.115 15.136 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.103 27.338 15.498 1.00 0.00 C ATOM 0 H LEU A 50 23.833 25.891 18.356 1.00 0.00 H new ATOM 0 HA LEU A 50 22.120 24.984 16.195 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.140 24.704 16.430 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.179 24.815 14.969 1.00 0.00 H new ATOM 0 HG LEU A 50 24.572 27.023 17.045 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.666 28.200 15.154 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.486 26.662 15.510 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.390 26.783 14.113 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.205 28.423 15.516 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.920 27.008 14.475 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.266 27.041 16.130 1.00 0.00 H new ATOM 813 N GLU A 51 22.163 22.522 16.369 1.00 0.00 N ATOM 814 CA GLU A 51 22.065 21.069 16.546 1.00 0.00 C ATOM 815 C GLU A 51 22.924 20.315 15.533 1.00 0.00 C ATOM 816 O GLU A 51 23.003 20.671 14.354 1.00 0.00 O ATOM 817 CB GLU A 51 20.602 20.626 16.396 1.00 0.00 C ATOM 818 CG GLU A 51 19.854 20.867 17.708 1.00 0.00 C ATOM 819 CD GLU A 51 18.394 20.443 17.562 1.00 0.00 C ATOM 820 OE1 GLU A 51 18.015 20.061 16.467 1.00 0.00 O ATOM 821 OE2 GLU A 51 17.678 20.508 18.548 1.00 0.00 O ATOM 0 H GLU A 51 21.515 22.906 15.681 1.00 0.00 H new ATOM 0 HA GLU A 51 22.431 20.833 17.545 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.125 21.180 15.587 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.557 19.570 16.129 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.326 20.305 18.514 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.910 21.921 17.980 1.00 0.00 H new ATOM 828 N ASP A 52 23.547 19.249 16.011 1.00 0.00 N ATOM 829 CA ASP A 52 24.387 18.424 15.167 1.00 0.00 C ATOM 830 C ASP A 52 23.556 17.783 14.060 1.00 0.00 C ATOM 831 O ASP A 52 22.461 17.279 14.309 1.00 0.00 O ATOM 832 CB ASP A 52 25.053 17.333 16.006 1.00 0.00 C ATOM 833 CG ASP A 52 25.789 17.960 17.185 1.00 0.00 C ATOM 834 OD1 ASP A 52 25.162 18.153 18.214 1.00 0.00 O ATOM 835 OD2 ASP A 52 26.969 18.237 17.044 1.00 0.00 O ATOM 0 H ASP A 52 23.485 18.937 16.980 1.00 0.00 H new ATOM 0 HA ASP A 52 25.154 19.052 14.715 1.00 0.00 H new ATOM 0 HB2 ASP A 52 24.302 16.631 16.367 1.00 0.00 H new ATOM 0 HB3 ASP A 52 25.751 16.765 15.391 1.00 0.00 H new ATOM 840 N GLY A 53 24.085 17.796 12.838 1.00 0.00 N ATOM 841 CA GLY A 53 23.390 17.202 11.695 1.00 0.00 C ATOM 842 C GLY A 53 22.702 18.262 10.836 1.00 0.00 C ATOM 843 O GLY A 53 22.275 17.972 9.719 1.00 0.00 O ATOM 0 H GLY A 53 24.990 18.210 12.613 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.102 16.646 11.085 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.649 16.486 12.052 1.00 0.00 H new ATOM 847 N ARG A 54 22.602 19.494 11.345 1.00 0.00 N ATOM 848 CA ARG A 54 21.966 20.572 10.578 1.00 0.00 C ATOM 849 C ARG A 54 23.011 21.365 9.794 1.00 0.00 C ATOM 850 O ARG A 54 24.190 21.378 10.148 1.00 0.00 O ATOM 851 CB ARG A 54 21.212 21.515 11.519 1.00 0.00 C ATOM 852 CG ARG A 54 19.945 20.827 12.038 1.00 0.00 C ATOM 853 CD ARG A 54 19.096 21.838 12.806 1.00 0.00 C ATOM 854 NE ARG A 54 17.947 21.175 13.413 1.00 0.00 N ATOM 855 CZ ARG A 54 16.927 21.877 13.895 1.00 0.00 C ATOM 856 NH1 ARG A 54 15.924 21.266 14.464 1.00 0.00 N ATOM 857 NH2 ARG A 54 16.924 23.178 13.790 1.00 0.00 N ATOM 0 H ARG A 54 22.945 19.767 12.266 1.00 0.00 H new ATOM 0 HA ARG A 54 21.264 20.122 9.876 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.852 21.797 12.355 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.949 22.434 10.994 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.375 20.415 11.205 1.00 0.00 H new ATOM 0 HG3 ARG A 54 20.211 19.992 12.686 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.698 22.317 13.578 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.757 22.625 12.132 1.00 0.00 H new ATOM 0 HE ARG A 54 17.926 20.157 13.468 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.923 20.249 14.539 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.141 21.806 14.834 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.704 23.655 13.338 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.141 23.718 14.160 1.00 0.00 H new ATOM 871 N THR A 55 22.567 22.031 8.727 1.00 0.00 N ATOM 872 CA THR A 55 23.462 22.840 7.892 1.00 0.00 C ATOM 873 C THR A 55 23.303 24.314 8.250 1.00 0.00 C ATOM 874 O THR A 55 22.288 24.707 8.821 1.00 0.00 O ATOM 875 CB THR A 55 23.119 22.636 6.414 1.00 0.00 C ATOM 876 OG1 THR A 55 21.712 22.730 6.240 1.00 0.00 O ATOM 877 CG2 THR A 55 23.603 21.257 5.957 1.00 0.00 C ATOM 0 H THR A 55 21.595 22.027 8.419 1.00 0.00 H new ATOM 0 HA THR A 55 24.492 22.531 8.069 1.00 0.00 H new ATOM 0 HB THR A 55 23.612 23.404 5.818 1.00 0.00 H new ATOM 0 HG1 THR A 55 21.490 22.601 5.294 1.00 0.00 H new ATOM 0 HG21 THR A 55 23.357 21.115 4.905 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.683 21.188 6.090 1.00 0.00 H new ATOM 0 HG23 THR A 55 23.114 20.485 6.551 1.00 0.00 H new ATOM 885 N LEU A 56 24.295 25.137 7.911 1.00 0.00 N ATOM 886 CA LEU A 56 24.203 26.560 8.221 1.00 0.00 C ATOM 887 C LEU A 56 22.972 27.161 7.537 1.00 0.00 C ATOM 888 O LEU A 56 22.272 27.982 8.130 1.00 0.00 O ATOM 889 CB LEU A 56 25.494 27.303 7.790 1.00 0.00 C ATOM 890 CG LEU A 56 26.480 27.412 8.969 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.016 26.021 9.327 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.644 28.332 8.576 1.00 0.00 C ATOM 0 H LEU A 56 25.150 24.852 7.434 1.00 0.00 H new ATOM 0 HA LEU A 56 24.098 26.679 9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.966 26.772 6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.242 28.299 7.427 1.00 0.00 H new ATOM 0 HG LEU A 56 25.965 27.828 9.835 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.713 26.103 10.161 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.186 25.373 9.610 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.531 25.596 8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.343 28.411 9.409 1.00 0.00 H new ATOM 0 HD22 LEU A 56 28.158 27.918 7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 56 27.259 29.322 8.331 1.00 0.00 H new ATOM 904 N SER A 57 22.711 26.762 6.289 1.00 0.00 N ATOM 905 CA SER A 57 21.558 27.287 5.562 1.00 0.00 C ATOM 906 C SER A 57 20.303 27.192 6.417 1.00 0.00 C ATOM 907 O SER A 57 19.440 28.068 6.363 1.00 0.00 O ATOM 908 CB SER A 57 21.339 26.509 4.262 1.00 0.00 C ATOM 909 OG SER A 57 20.213 27.050 3.580 1.00 0.00 O ATOM 0 H SER A 57 23.274 26.088 5.770 1.00 0.00 H new ATOM 0 HA SER A 57 21.759 28.332 5.326 1.00 0.00 H new ATOM 0 HB2 SER A 57 22.226 26.572 3.632 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.176 25.453 4.478 1.00 0.00 H new ATOM 0 HG SER A 57 20.068 26.557 2.745 1.00 0.00 H new ATOM 915 N ASP A 58 20.208 26.133 7.215 1.00 0.00 N ATOM 916 CA ASP A 58 19.055 25.957 8.083 1.00 0.00 C ATOM 917 C ASP A 58 18.862 27.214 8.919 1.00 0.00 C ATOM 918 O ASP A 58 17.742 27.686 9.118 1.00 0.00 O ATOM 919 CB ASP A 58 19.277 24.752 9.003 1.00 0.00 C ATOM 920 CG ASP A 58 19.570 23.503 8.175 1.00 0.00 C ATOM 921 OD1 ASP A 58 19.332 23.539 6.979 1.00 0.00 O ATOM 922 OD2 ASP A 58 20.027 22.528 8.750 1.00 0.00 O ATOM 0 H ASP A 58 20.908 25.393 7.277 1.00 0.00 H new ATOM 0 HA ASP A 58 18.166 25.781 7.477 1.00 0.00 H new ATOM 0 HB2 ASP A 58 20.107 24.951 9.681 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.394 24.589 9.620 1.00 0.00 H new ATOM 927 N TYR A 59 19.982 27.755 9.390 1.00 0.00 N ATOM 928 CA TYR A 59 19.989 28.971 10.201 1.00 0.00 C ATOM 929 C TYR A 59 20.531 30.137 9.375 1.00 0.00 C ATOM 930 O TYR A 59 21.713 30.152 9.067 1.00 0.00 O ATOM 931 CB TYR A 59 20.900 28.765 11.414 1.00 0.00 C ATOM 932 CG TYR A 59 20.415 27.591 12.232 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.069 26.354 12.145 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.315 27.743 13.081 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.620 25.271 12.910 1.00 0.00 C ATOM 936 CE2 TYR A 59 18.866 26.660 13.845 1.00 0.00 C ATOM 937 CZ TYR A 59 19.518 25.424 13.760 1.00 0.00 C ATOM 938 OH TYR A 59 19.074 24.359 14.516 1.00 0.00 O ATOM 0 H TYR A 59 20.909 27.365 9.221 1.00 0.00 H new ATOM 0 HA TYR A 59 18.972 29.190 10.527 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.924 28.591 11.084 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.912 29.666 12.027 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.918 26.237 11.488 1.00 0.00 H new ATOM 0 HD2 TYR A 59 18.812 28.696 13.147 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.123 24.318 12.845 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.016 26.778 14.501 1.00 0.00 H new ATOM 0 HH TYR A 59 18.364 24.660 15.121 1.00 0.00 H new ATOM 948 N ASN A 60 19.646 31.057 8.968 1.00 0.00 N ATOM 949 CA ASN A 60 20.030 32.203 8.114 1.00 0.00 C ATOM 950 C ASN A 60 21.294 32.943 8.593 1.00 0.00 C ATOM 951 O ASN A 60 21.239 34.118 8.959 1.00 0.00 O ATOM 952 CB ASN A 60 18.868 33.198 8.020 1.00 0.00 C ATOM 953 CG ASN A 60 19.179 34.269 6.973 1.00 0.00 C ATOM 954 OD1 ASN A 60 20.040 34.068 6.116 1.00 0.00 O ATOM 955 ND2 ASN A 60 18.527 35.400 6.993 1.00 0.00 N ATOM 0 H ASN A 60 18.656 31.035 9.214 1.00 0.00 H new ATOM 0 HA ASN A 60 20.264 31.783 7.136 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.950 32.674 7.754 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.699 33.665 8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.731 36.118 6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.814 35.565 7.703 1.00 0.00 H new ATOM 962 N ILE A 61 22.424 32.242 8.559 1.00 0.00 N ATOM 963 CA ILE A 61 23.719 32.799 8.951 1.00 0.00 C ATOM 964 C ILE A 61 24.484 33.218 7.695 1.00 0.00 C ATOM 965 O ILE A 61 25.011 32.368 6.978 1.00 0.00 O ATOM 966 CB ILE A 61 24.536 31.734 9.693 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.855 31.376 11.017 1.00 0.00 C ATOM 968 CG2 ILE A 61 25.947 32.263 9.974 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.532 30.134 11.605 1.00 0.00 C ATOM 0 H ILE A 61 22.469 31.268 8.258 1.00 0.00 H new ATOM 0 HA ILE A 61 23.560 33.659 9.601 1.00 0.00 H new ATOM 0 HB ILE A 61 24.599 30.843 9.069 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.927 32.210 11.715 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.794 31.186 10.855 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.523 31.502 10.501 1.00 0.00 H new ATOM 0 HG22 ILE A 61 26.440 32.503 9.032 1.00 0.00 H new ATOM 0 HG23 ILE A 61 25.883 33.161 10.589 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.054 29.871 12.549 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.437 29.303 10.906 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.587 30.343 11.779 1.00 0.00 H new ATOM 981 N GLN A 62 24.524 34.519 7.409 1.00 0.00 N ATOM 982 CA GLN A 62 25.211 34.999 6.204 1.00 0.00 C ATOM 983 C GLN A 62 26.699 35.233 6.442 1.00 0.00 C ATOM 984 O GLN A 62 27.189 35.151 7.568 1.00 0.00 O ATOM 985 CB GLN A 62 24.571 36.288 5.697 1.00 0.00 C ATOM 986 CG GLN A 62 23.057 36.104 5.607 1.00 0.00 C ATOM 987 CD GLN A 62 22.417 37.360 5.027 1.00 0.00 C ATOM 988 OE1 GLN A 62 23.094 38.165 4.387 1.00 0.00 O ATOM 989 NE2 GLN A 62 21.144 37.575 5.211 1.00 0.00 N ATOM 0 H GLN A 62 24.099 35.249 7.980 1.00 0.00 H new ATOM 0 HA GLN A 62 25.108 34.216 5.452 1.00 0.00 H new ATOM 0 HB2 GLN A 62 24.808 37.113 6.369 1.00 0.00 H new ATOM 0 HB3 GLN A 62 24.975 36.547 4.718 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.823 35.243 4.981 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.647 35.900 6.596 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.585 36.907 5.742 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.707 38.412 4.824 1.00 0.00 H new ATOM 998 N LYS A 63 27.409 35.500 5.348 1.00 0.00 N ATOM 999 CA LYS A 63 28.849 35.714 5.409 1.00 0.00 C ATOM 1000 C LYS A 63 29.213 36.872 6.329 1.00 0.00 C ATOM 1001 O LYS A 63 28.478 37.853 6.447 1.00 0.00 O ATOM 1002 CB LYS A 63 29.417 35.949 4.000 1.00 0.00 C ATOM 1003 CG LYS A 63 28.939 37.284 3.420 1.00 0.00 C ATOM 1004 CD LYS A 63 29.441 37.394 1.974 1.00 0.00 C ATOM 1005 CE LYS A 63 29.214 38.810 1.441 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.759 39.126 1.464 1.00 0.00 N ATOM 0 H LYS A 63 27.010 35.573 4.412 1.00 0.00 H new ATOM 0 HA LYS A 63 29.296 34.812 5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.506 35.936 4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 63 29.112 35.135 3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.851 37.342 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.318 38.114 4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.502 37.147 1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.919 36.673 1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.762 39.530 2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.598 38.893 0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.577 39.966 0.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.222 38.319 1.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.460 39.314 2.442 1.00 0.00 H new ATOM 1020 N GLU A 64 30.372 36.736 6.969 1.00 0.00 N ATOM 1021 CA GLU A 64 30.883 37.753 7.878 1.00 0.00 C ATOM 1022 C GLU A 64 29.913 38.034 9.023 1.00 0.00 C ATOM 1023 O GLU A 64 29.339 39.119 9.110 1.00 0.00 O ATOM 1024 CB GLU A 64 31.190 39.037 7.108 1.00 0.00 C ATOM 1025 CG GLU A 64 32.157 38.715 5.964 1.00 0.00 C ATOM 1026 CD GLU A 64 33.517 38.310 6.527 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.669 37.151 6.881 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.387 39.163 6.595 1.00 0.00 O ATOM 0 H GLU A 64 30.979 35.922 6.872 1.00 0.00 H new ATOM 0 HA GLU A 64 31.803 37.371 8.321 1.00 0.00 H new ATOM 0 HB2 GLU A 64 30.270 39.468 6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 64 31.629 39.779 7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 64 31.753 37.909 5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 64 32.267 39.584 5.315 1.00 0.00 H new HETATM 1035 N SEP A 65 29.766 37.056 9.920 1.00 0.00 N HETATM 1036 CA SEP A 65 28.902 37.191 11.094 1.00 0.00 C HETATM 1037 CB SEP A 65 27.649 36.328 10.928 1.00 0.00 C HETATM 1038 OG SEP A 65 26.822 36.885 9.913 1.00 0.00 O HETATM 1039 C SEP A 65 29.683 36.732 12.322 1.00 0.00 C HETATM 1040 O SEP A 65 30.681 36.022 12.183 1.00 0.00 O HETATM 1041 P SEP A 65 25.863 38.042 10.242 1.00 0.00 P HETATM 1042 O1P SEP A 65 26.133 39.124 9.142 1.00 0.00 O HETATM 1043 O2P SEP A 65 26.257 38.513 11.684 1.00 0.00 O HETATM 1044 O3P SEP A 65 24.425 37.424 10.164 1.00 0.00 O HETATM 0 HB3 SEP A 65 27.929 35.308 10.665 1.00 0.00 H new HETATM 0 HB2 SEP A 65 27.103 36.276 11.870 1.00 0.00 H new HETATM 0 HA SEP A 65 28.594 38.230 11.209 1.00 0.00 H new ATOM 1049 N THR A 66 29.251 37.130 13.519 1.00 0.00 N ATOM 1050 CA THR A 66 29.955 36.727 14.741 1.00 0.00 C ATOM 1051 C THR A 66 29.223 35.581 15.431 1.00 0.00 C ATOM 1052 O THR A 66 28.048 35.700 15.781 1.00 0.00 O ATOM 1053 CB THR A 66 30.068 37.915 15.703 1.00 0.00 C ATOM 1054 OG1 THR A 66 30.690 39.004 15.034 1.00 0.00 O ATOM 1055 CG2 THR A 66 30.913 37.513 16.917 1.00 0.00 C ATOM 0 H THR A 66 28.433 37.720 13.670 1.00 0.00 H new ATOM 0 HA THR A 66 30.954 36.391 14.463 1.00 0.00 H new ATOM 0 HB THR A 66 29.073 38.210 16.036 1.00 0.00 H new ATOM 0 HG1 THR A 66 30.762 39.766 15.646 1.00 0.00 H new ATOM 0 HG21 THR A 66 30.993 38.358 17.601 1.00 0.00 H new ATOM 0 HG22 THR A 66 30.439 36.676 17.429 1.00 0.00 H new ATOM 0 HG23 THR A 66 31.909 37.219 16.586 1.00 0.00 H new ATOM 1063 N LEU A 67 29.933 34.471 15.631 1.00 0.00 N ATOM 1064 CA LEU A 67 29.361 33.295 16.290 1.00 0.00 C ATOM 1065 C LEU A 67 29.736 33.302 17.773 1.00 0.00 C ATOM 1066 O LEU A 67 30.851 33.687 18.129 1.00 0.00 O ATOM 1067 CB LEU A 67 29.905 32.021 15.621 1.00 0.00 C ATOM 1068 CG LEU A 67 29.082 31.683 14.368 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.656 31.232 14.755 1.00 0.00 C ATOM 1070 CD2 LEU A 67 29.015 32.918 13.457 1.00 0.00 C ATOM 0 H LEU A 67 30.906 34.361 15.346 1.00 0.00 H new ATOM 0 HA LEU A 67 28.275 33.318 16.197 1.00 0.00 H new ATOM 0 HB2 LEU A 67 30.951 32.163 15.350 1.00 0.00 H new ATOM 0 HB3 LEU A 67 29.868 31.189 16.324 1.00 0.00 H new ATOM 0 HG LEU A 67 29.565 30.862 13.838 1.00 0.00 H new ATOM 0 HD11 LEU A 67 27.091 30.998 13.853 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.714 30.346 15.387 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.156 32.034 15.298 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.432 32.682 12.567 1.00 0.00 H new ATOM 0 HD22 LEU A 67 28.542 33.741 13.993 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.024 33.209 13.164 1.00 0.00 H new ATOM 1082 N HIS A 68 28.816 32.872 18.644 1.00 0.00 N ATOM 1083 CA HIS A 68 29.098 32.841 20.077 1.00 0.00 C ATOM 1084 C HIS A 68 29.611 31.456 20.482 1.00 0.00 C ATOM 1085 O HIS A 68 28.910 30.459 20.308 1.00 0.00 O ATOM 1086 CB HIS A 68 27.826 33.170 20.860 1.00 0.00 C ATOM 1087 CG HIS A 68 27.451 34.608 20.623 1.00 0.00 C ATOM 1088 ND1 HIS A 68 26.684 35.004 19.538 1.00 0.00 N ATOM 1089 CD2 HIS A 68 27.729 35.758 21.323 1.00 0.00 C ATOM 1090 CE1 HIS A 68 26.529 36.340 19.615 1.00 0.00 C ATOM 1091 NE2 HIS A 68 27.146 36.849 20.684 1.00 0.00 N ATOM 0 H HIS A 68 27.885 32.546 18.384 1.00 0.00 H new ATOM 0 HA HIS A 68 29.864 33.583 20.304 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.013 32.514 20.547 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.985 32.995 21.924 1.00 0.00 H new ATOM 0 HD2 HIS A 68 28.311 35.808 22.231 1.00 0.00 H new ATOM 0 HE1 HIS A 68 25.973 36.928 18.899 1.00 0.00 H new ATOM 0 HE2 HIS A 68 27.182 37.827 20.971 1.00 0.00 H new ATOM 1100 N LEU A 69 30.832 31.392 21.032 1.00 0.00 N ATOM 1101 CA LEU A 69 31.419 30.137 21.466 1.00 0.00 C ATOM 1102 C LEU A 69 31.398 30.097 22.982 1.00 0.00 C ATOM 1103 O LEU A 69 32.198 30.751 23.653 1.00 0.00 O ATOM 1104 CB LEU A 69 32.862 30.030 20.949 1.00 0.00 C ATOM 1105 CG LEU A 69 33.334 28.577 20.994 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.733 28.477 20.375 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.381 28.086 22.450 1.00 0.00 C ATOM 0 H LEU A 69 31.428 32.206 21.183 1.00 0.00 H new ATOM 0 HA LEU A 69 30.850 29.297 21.068 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.919 30.407 19.928 1.00 0.00 H new ATOM 0 HB3 LEU A 69 33.520 30.652 21.555 1.00 0.00 H new ATOM 0 HG LEU A 69 32.638 27.956 20.430 1.00 0.00 H new ATOM 0 HD11 LEU A 69 35.071 27.441 20.406 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.698 28.816 19.340 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.426 29.102 20.938 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.718 27.050 22.474 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.072 28.706 23.021 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.386 28.154 22.889 1.00 0.00 H new ATOM 1119 N VAL A 70 30.469 29.320 23.504 1.00 0.00 N ATOM 1120 CA VAL A 70 30.307 29.163 24.946 1.00 0.00 C ATOM 1121 C VAL A 70 30.865 27.818 25.392 1.00 0.00 C ATOM 1122 O VAL A 70 30.737 26.815 24.688 1.00 0.00 O ATOM 1123 CB VAL A 70 28.824 29.246 25.301 1.00 0.00 C ATOM 1124 CG1 VAL A 70 28.662 29.319 26.819 1.00 0.00 C ATOM 1125 CG2 VAL A 70 28.221 30.499 24.662 1.00 0.00 C ATOM 0 H VAL A 70 29.806 28.780 22.948 1.00 0.00 H new ATOM 0 HA VAL A 70 30.851 29.958 25.456 1.00 0.00 H new ATOM 0 HB VAL A 70 28.310 28.360 24.927 1.00 0.00 H new ATOM 0 HG11 VAL A 70 27.603 29.378 27.069 1.00 0.00 H new ATOM 0 HG12 VAL A 70 29.093 28.427 27.274 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.174 30.204 27.197 1.00 0.00 H new ATOM 0 HG21 VAL A 70 27.162 30.562 24.913 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.736 31.383 25.038 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.335 30.446 23.579 1.00 0.00 H new ATOM 1135 N LEU A 71 31.496 27.805 26.561 1.00 0.00 N ATOM 1136 CA LEU A 71 32.083 26.580 27.085 1.00 0.00 C ATOM 1137 C LEU A 71 31.039 25.758 27.817 1.00 0.00 C ATOM 1138 O LEU A 71 29.886 26.168 27.942 1.00 0.00 O ATOM 1139 CB LEU A 71 33.238 26.914 28.033 1.00 0.00 C ATOM 1140 CG LEU A 71 34.485 27.340 27.238 1.00 0.00 C ATOM 1141 CD1 LEU A 71 35.128 26.125 26.517 1.00 0.00 C ATOM 1142 CD2 LEU A 71 34.101 28.415 26.205 1.00 0.00 C ATOM 0 H LEU A 71 31.613 28.623 27.159 1.00 0.00 H new ATOM 0 HA LEU A 71 32.464 25.995 26.247 1.00 0.00 H new ATOM 0 HB2 LEU A 71 32.940 27.715 28.710 1.00 0.00 H new ATOM 0 HB3 LEU A 71 33.472 26.046 28.650 1.00 0.00 H new ATOM 0 HG LEU A 71 35.214 27.748 27.937 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.007 26.454 25.963 1.00 0.00 H new ATOM 0 HD12 LEU A 71 35.423 25.378 27.255 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.407 25.688 25.827 1.00 0.00 H new ATOM 0 HD21 LEU A 71 34.987 28.714 25.644 1.00 0.00 H new ATOM 0 HD22 LEU A 71 33.357 28.011 25.519 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.687 29.283 26.719 1.00 0.00 H new ATOM 1154 N ARG A 72 31.455 24.594 28.294 1.00 0.00 N ATOM 1155 CA ARG A 72 30.548 23.711 29.012 1.00 0.00 C ATOM 1156 C ARG A 72 30.006 24.415 30.244 1.00 0.00 C ATOM 1157 O ARG A 72 28.797 24.461 30.464 1.00 0.00 O ATOM 1158 CB ARG A 72 31.281 22.436 29.431 1.00 0.00 C ATOM 1159 CG ARG A 72 30.276 21.427 29.989 1.00 0.00 C ATOM 1160 CD ARG A 72 30.981 20.093 30.237 1.00 0.00 C ATOM 1161 NE ARG A 72 30.055 19.137 30.834 1.00 0.00 N ATOM 1162 CZ ARG A 72 30.409 17.872 31.036 1.00 0.00 C ATOM 1163 NH1 ARG A 72 29.564 17.036 31.574 1.00 0.00 N ATOM 1164 NH2 ARG A 72 31.602 17.465 30.695 1.00 0.00 N ATOM 0 H ARG A 72 32.407 24.241 28.198 1.00 0.00 H new ATOM 0 HA ARG A 72 29.719 23.448 28.354 1.00 0.00 H new ATOM 0 HB2 ARG A 72 31.805 22.008 28.576 1.00 0.00 H new ATOM 0 HB3 ARG A 72 32.035 22.668 30.183 1.00 0.00 H new ATOM 0 HG2 ARG A 72 29.845 21.802 30.918 1.00 0.00 H new ATOM 0 HG3 ARG A 72 29.453 21.291 29.288 1.00 0.00 H new ATOM 0 HD2 ARG A 72 31.368 19.698 29.298 1.00 0.00 H new ATOM 0 HD3 ARG A 72 31.836 20.242 30.896 1.00 0.00 H new ATOM 0 HE ARG A 72 29.120 19.445 31.101 1.00 0.00 H new ATOM 0 HH11 ARG A 72 28.632 17.353 31.840 1.00 0.00 H new ATOM 0 HH12 ARG A 72 29.836 16.065 31.729 1.00 0.00 H new ATOM 0 HH21 ARG A 72 32.263 18.118 30.273 1.00 0.00 H new ATOM 0 HH22 ARG A 72 31.873 16.494 30.850 1.00 0.00 H new ATOM 1178 N LEU A 73 30.911 24.977 31.046 1.00 0.00 N ATOM 1179 CA LEU A 73 30.510 25.690 32.256 1.00 0.00 C ATOM 1180 C LEU A 73 30.277 27.165 31.945 1.00 0.00 C ATOM 1181 O LEU A 73 31.171 27.855 31.455 1.00 0.00 O ATOM 1182 CB LEU A 73 31.591 25.551 33.338 1.00 0.00 C ATOM 1183 CG LEU A 73 31.205 26.365 34.587 1.00 0.00 C ATOM 1184 CD1 LEU A 73 29.825 25.919 35.103 1.00 0.00 C ATOM 1185 CD2 LEU A 73 32.255 26.144 35.679 1.00 0.00 C ATOM 0 H LEU A 73 31.917 24.952 30.881 1.00 0.00 H new ATOM 0 HA LEU A 73 29.582 25.253 32.625 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.716 24.501 33.604 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.549 25.898 32.951 1.00 0.00 H new ATOM 0 HG LEU A 73 31.161 27.422 34.326 1.00 0.00 H new ATOM 0 HD11 LEU A 73 29.561 26.501 35.986 1.00 0.00 H new ATOM 0 HD12 LEU A 73 29.077 26.079 34.327 1.00 0.00 H new ATOM 0 HD13 LEU A 73 29.858 24.861 35.362 1.00 0.00 H new ATOM 0 HD21 LEU A 73 31.985 26.719 36.565 1.00 0.00 H new ATOM 0 HD22 LEU A 73 32.298 25.085 35.933 1.00 0.00 H new ATOM 0 HD23 LEU A 73 33.230 26.471 35.318 1.00 0.00 H new ATOM 1197 N ARG A 74 29.071 27.638 32.236 1.00 0.00 N ATOM 1198 CA ARG A 74 28.723 29.033 31.989 1.00 0.00 C ATOM 1199 C ARG A 74 29.260 29.927 33.104 1.00 0.00 C ATOM 1200 O ARG A 74 29.629 29.444 34.175 1.00 0.00 O ATOM 1201 CB ARG A 74 27.204 29.180 31.901 1.00 0.00 C ATOM 1202 CG ARG A 74 26.689 28.426 30.674 1.00 0.00 C ATOM 1203 CD ARG A 74 25.191 28.683 30.508 1.00 0.00 C ATOM 1204 NE ARG A 74 24.670 27.926 29.376 1.00 0.00 N ATOM 1205 CZ ARG A 74 23.486 28.212 28.845 1.00 0.00 C ATOM 1206 NH1 ARG A 74 23.039 27.518 27.834 1.00 0.00 N ATOM 1207 NH2 ARG A 74 22.770 29.187 29.334 1.00 0.00 N ATOM 0 H ARG A 74 28.320 27.079 32.642 1.00 0.00 H new ATOM 0 HA ARG A 74 29.175 29.340 31.046 1.00 0.00 H new ATOM 0 HB2 ARG A 74 26.737 28.788 32.804 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.933 30.234 31.834 1.00 0.00 H new ATOM 0 HG2 ARG A 74 27.225 28.751 29.783 1.00 0.00 H new ATOM 0 HG3 ARG A 74 26.875 27.358 30.786 1.00 0.00 H new ATOM 0 HD2 ARG A 74 24.663 28.398 31.418 1.00 0.00 H new ATOM 0 HD3 ARG A 74 25.012 29.747 30.356 1.00 0.00 H new ATOM 0 HE ARG A 74 25.224 27.164 28.985 1.00 0.00 H new ATOM 0 HH11 ARG A 74 23.599 26.756 27.451 1.00 0.00 H new ATOM 0 HH12 ARG A 74 22.130 27.738 27.427 1.00 0.00 H new ATOM 0 HH21 ARG A 74 23.119 29.730 30.124 1.00 0.00 H new ATOM 0 HH22 ARG A 74 21.861 29.407 28.926 1.00 0.00 H new ATOM 1221 N GLY A 75 29.299 31.231 32.846 1.00 0.00 N ATOM 1222 CA GLY A 75 29.791 32.182 33.837 1.00 0.00 C ATOM 1223 C GLY A 75 29.026 32.048 35.149 1.00 0.00 C ATOM 1224 O GLY A 75 27.821 31.792 35.153 1.00 0.00 O ATOM 0 H GLY A 75 28.998 31.651 31.966 1.00 0.00 H new ATOM 0 HA2 GLY A 75 30.853 32.013 34.012 1.00 0.00 H new ATOM 0 HA3 GLY A 75 29.689 33.197 33.454 1.00 0.00 H new ATOM 1228 N GLY A 76 29.733 32.221 36.261 1.00 0.00 N ATOM 1229 CA GLY A 76 29.110 32.115 37.575 1.00 0.00 C ATOM 1230 C GLY A 76 28.763 30.666 37.896 1.00 0.00 C ATOM 1231 O GLY A 76 29.671 29.917 38.217 1.00 0.00 O ATOM 1232 OXT GLY A 76 27.595 30.325 37.813 1.00 0.00 O ATOM 0 H GLY A 76 30.730 32.434 36.279 1.00 0.00 H new ATOM 0 HA2 GLY A 76 29.785 32.509 38.335 1.00 0.00 H new ATOM 0 HA3 GLY A 76 28.207 32.725 37.604 1.00 0.00 H new TER 1236 GLY A 76