USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 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 Set 1.1: A 55 THR OG1 : rot 180:sc= -0.0904 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= -0.0436 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= -1.04! (180deg=-1.39!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0301 (180deg=-0.36) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00401 USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= -0.0443 (180deg=-0.441) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 98:sc= 1.49 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 :FLIP amide:sc=-0.00398 F(o=-1.1,f=-0.004) USER MOD Single : A 27 LYS NZ :NH3+ 140:sc= -3.15 (180deg=-5.07!) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= -0.297 (180deg=-1.35!) USER MOD Single : A 31 GLN : amide:sc= -0.932 K(o=-0.93,f=-2.7!) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= -0.0291 (180deg=-0.42) USER MOD Single : A 40 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.29) USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= -0.0284 (180deg=-0.312) USER MOD Single : A 49 GLN : amide:sc= -0.461 X(o=-0.46,f=0) USER MOD Single : A 59 TYR OH : rot 15:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.485 X(o=-0.49,f=-0.91) USER MOD Single : A 62 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.81) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.372 F(o=-1.2,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.992 24.417 3.230 1.00 0.00 N ATOM 2 CA MET A 1 25.123 25.627 3.189 1.00 0.00 C ATOM 3 C MET A 1 25.954 26.866 3.528 1.00 0.00 C ATOM 4 O MET A 1 27.074 26.768 3.989 1.00 0.00 O ATOM 5 CB MET A 1 23.994 25.481 4.211 1.00 0.00 C ATOM 6 CG MET A 1 23.173 24.230 3.894 1.00 0.00 C ATOM 7 SD MET A 1 21.969 23.950 5.216 1.00 0.00 S ATOM 8 CE MET A 1 21.253 22.426 4.554 1.00 0.00 C ATOM 0 H1 MET A 1 25.463 23.597 2.869 1.00 0.00 H new ATOM 0 H2 MET A 1 26.833 24.574 2.639 1.00 0.00 H new ATOM 0 H3 MET A 1 26.287 24.235 4.210 1.00 0.00 H new ATOM 0 HA MET A 1 24.700 25.733 2.190 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.407 25.412 5.217 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.354 26.363 4.190 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.660 24.350 2.940 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.830 23.366 3.796 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.472 22.069 5.225 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.825 22.622 3.571 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.030 21.667 4.466 1.00 0.00 H new ATOM 20 N GLN A 2 25.411 28.034 3.302 1.00 0.00 N ATOM 21 CA GLN A 2 26.160 29.291 3.607 1.00 0.00 C ATOM 22 C GLN A 2 25.728 29.824 4.976 1.00 0.00 C ATOM 23 O GLN A 2 24.593 30.214 5.171 1.00 0.00 O ATOM 24 CB GLN A 2 25.860 30.338 2.532 1.00 0.00 C ATOM 25 CG GLN A 2 26.504 29.914 1.210 1.00 0.00 C ATOM 26 CD GLN A 2 26.196 30.956 0.133 1.00 0.00 C ATOM 27 OE1 GLN A 2 25.065 31.372 -0.020 1.00 0.00 O ATOM 28 NE2 GLN A 2 27.161 31.400 -0.625 1.00 0.00 N ATOM 0 H GLN A 2 24.476 28.173 2.917 1.00 0.00 H new ATOM 0 HA GLN A 2 27.230 29.082 3.621 1.00 0.00 H new ATOM 0 HB2 GLN A 2 24.783 30.446 2.405 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.244 31.311 2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.582 29.813 1.335 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.125 28.938 0.906 1.00 0.00 H new ATOM 0 HE21 GLN A 2 28.111 31.052 -0.498 1.00 0.00 H new ATOM 0 HE22 GLN A 2 26.965 32.096 -1.345 1.00 0.00 H new ATOM 37 N ILE A 3 26.637 29.860 5.918 1.00 0.00 N ATOM 38 CA ILE A 3 26.328 30.378 7.289 1.00 0.00 C ATOM 39 C ILE A 3 27.215 31.608 7.511 1.00 0.00 C ATOM 40 O ILE A 3 28.275 31.704 6.924 1.00 0.00 O ATOM 41 CB ILE A 3 26.681 29.289 8.315 1.00 0.00 C ATOM 42 CG1 ILE A 3 26.014 27.964 7.914 1.00 0.00 C ATOM 43 CG2 ILE A 3 26.210 29.690 9.717 1.00 0.00 C ATOM 44 CD1 ILE A 3 24.502 28.154 7.732 1.00 0.00 C ATOM 0 H ILE A 3 27.599 29.546 5.793 1.00 0.00 H new ATOM 0 HA ILE A 3 25.275 30.639 7.396 1.00 0.00 H new ATOM 0 HB ILE A 3 27.764 29.169 8.330 1.00 0.00 H new ATOM 0 HG12 ILE A 3 26.454 27.595 6.987 1.00 0.00 H new ATOM 0 HG13 ILE A 3 26.202 27.210 8.678 1.00 0.00 H new ATOM 0 HG21 ILE A 3 26.470 28.905 10.427 1.00 0.00 H new ATOM 0 HG22 ILE A 3 26.695 30.621 10.011 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.129 29.830 9.711 1.00 0.00 H new ATOM 0 HD11 ILE A 3 24.048 27.205 7.448 1.00 0.00 H new ATOM 0 HD12 ILE A 3 24.064 28.501 8.668 1.00 0.00 H new ATOM 0 HD13 ILE A 3 24.319 28.892 6.951 1.00 0.00 H new ATOM 56 N PHE A 4 26.825 32.550 8.346 1.00 0.00 N ATOM 57 CA PHE A 4 27.691 33.755 8.580 1.00 0.00 C ATOM 58 C PHE A 4 27.913 33.912 10.082 1.00 0.00 C ATOM 59 O PHE A 4 26.978 33.937 10.850 1.00 0.00 O ATOM 60 CB PHE A 4 26.980 34.998 8.043 1.00 0.00 C ATOM 61 CG PHE A 4 26.719 34.830 6.565 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.588 34.130 6.128 1.00 0.00 C ATOM 63 CD2 PHE A 4 27.608 35.375 5.632 1.00 0.00 C ATOM 64 CE1 PHE A 4 25.346 33.974 4.758 1.00 0.00 C ATOM 65 CE2 PHE A 4 27.367 35.220 4.262 1.00 0.00 C ATOM 66 CZ PHE A 4 26.236 34.520 3.825 1.00 0.00 C ATOM 0 H PHE A 4 25.951 32.536 8.871 1.00 0.00 H new ATOM 0 HA PHE A 4 28.647 33.634 8.071 1.00 0.00 H new ATOM 0 HB2 PHE A 4 26.040 35.150 8.574 1.00 0.00 H new ATOM 0 HB3 PHE A 4 27.592 35.883 8.217 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.902 33.710 6.848 1.00 0.00 H new ATOM 0 HD2 PHE A 4 28.480 35.915 5.969 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.474 33.433 4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 4 28.053 35.640 3.542 1.00 0.00 H new ATOM 0 HZ PHE A 4 26.050 34.401 2.768 1.00 0.00 H new ATOM 76 N VAL A 5 29.139 34.017 10.520 1.00 0.00 N ATOM 77 CA VAL A 5 29.387 34.169 11.985 1.00 0.00 C ATOM 78 C VAL A 5 29.464 35.654 12.337 1.00 0.00 C ATOM 79 O VAL A 5 30.242 36.404 11.775 1.00 0.00 O ATOM 80 CB VAL A 5 30.697 33.478 12.366 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.895 33.558 13.880 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.642 32.009 11.940 1.00 0.00 C ATOM 0 H VAL A 5 29.974 34.004 9.934 1.00 0.00 H new ATOM 0 HA VAL A 5 28.569 33.707 12.538 1.00 0.00 H new ATOM 0 HB VAL A 5 31.527 33.974 11.863 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.829 33.065 14.151 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.933 34.603 14.187 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.064 33.063 14.382 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.576 31.516 12.211 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.811 31.515 12.444 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.500 31.948 10.861 1.00 0.00 H new ATOM 92 N LYS A 6 28.653 36.070 13.271 1.00 0.00 N ATOM 93 CA LYS A 6 28.648 37.499 13.701 1.00 0.00 C ATOM 94 C LYS A 6 29.401 37.627 15.028 1.00 0.00 C ATOM 95 O LYS A 6 29.069 36.978 16.004 1.00 0.00 O ATOM 96 CB LYS A 6 27.206 37.971 13.886 1.00 0.00 C ATOM 97 CG LYS A 6 27.204 39.456 14.243 1.00 0.00 C ATOM 98 CD LYS A 6 25.765 39.975 14.281 1.00 0.00 C ATOM 99 CE LYS A 6 25.773 41.483 14.542 1.00 0.00 C ATOM 100 NZ LYS A 6 26.344 41.750 15.893 1.00 0.00 N ATOM 0 H LYS A 6 27.986 35.474 13.761 1.00 0.00 H new ATOM 0 HA LYS A 6 29.134 38.112 12.942 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.636 37.804 12.972 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.721 37.395 14.674 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.681 39.608 15.211 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.784 40.017 13.510 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.265 39.761 13.336 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.203 39.463 15.062 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.362 41.992 13.779 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.760 41.879 14.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 26.093 42.714 16.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.959 41.065 16.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.379 41.657 15.857 1.00 0.00 H new ATOM 114 N THR A 7 30.419 38.456 15.074 1.00 0.00 N ATOM 115 CA THR A 7 31.198 38.630 16.342 1.00 0.00 C ATOM 116 C THR A 7 30.756 39.922 17.037 1.00 0.00 C ATOM 117 O THR A 7 30.283 40.848 16.408 1.00 0.00 O ATOM 118 CB THR A 7 32.691 38.711 16.015 1.00 0.00 C ATOM 119 OG1 THR A 7 33.058 37.596 15.216 1.00 0.00 O ATOM 120 CG2 THR A 7 33.499 38.698 17.313 1.00 0.00 C ATOM 0 H THR A 7 30.743 39.019 14.288 1.00 0.00 H new ATOM 0 HA THR A 7 31.016 37.781 17.002 1.00 0.00 H new ATOM 0 HB THR A 7 32.896 39.633 15.471 1.00 0.00 H new ATOM 0 HG1 THR A 7 34.013 37.646 15.004 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.562 38.756 17.080 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.215 39.553 17.927 1.00 0.00 H new ATOM 0 HG23 THR A 7 33.296 37.776 17.858 1.00 0.00 H new ATOM 128 N LEU A 8 30.897 39.988 18.333 1.00 0.00 N ATOM 129 CA LEU A 8 30.478 41.216 19.072 1.00 0.00 C ATOM 130 C LEU A 8 31.254 42.427 18.548 1.00 0.00 C ATOM 131 O LEU A 8 30.865 43.560 18.756 1.00 0.00 O ATOM 132 CB LEU A 8 30.770 41.047 20.568 1.00 0.00 C ATOM 133 CG LEU A 8 32.242 40.589 20.783 1.00 0.00 C ATOM 134 CD1 LEU A 8 32.874 41.355 21.953 1.00 0.00 C ATOM 135 CD2 LEU A 8 32.288 39.083 21.093 1.00 0.00 C ATOM 0 H LEU A 8 31.285 39.244 18.914 1.00 0.00 H new ATOM 0 HA LEU A 8 29.410 41.371 18.921 1.00 0.00 H new ATOM 0 HB2 LEU A 8 30.595 41.989 21.088 1.00 0.00 H new ATOM 0 HB3 LEU A 8 30.087 40.314 20.998 1.00 0.00 H new ATOM 0 HG LEU A 8 32.800 40.794 19.869 1.00 0.00 H new ATOM 0 HD11 LEU A 8 33.903 41.024 22.091 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.862 42.423 21.737 1.00 0.00 H new ATOM 0 HD13 LEU A 8 32.306 41.163 22.863 1.00 0.00 H new ATOM 0 HD21 LEU A 8 33.323 38.774 21.242 1.00 0.00 H new ATOM 0 HD22 LEU A 8 31.715 38.880 21.998 1.00 0.00 H new ATOM 0 HD23 LEU A 8 31.859 38.527 20.260 1.00 0.00 H new ATOM 147 N THR A 9 32.350 42.203 17.876 1.00 0.00 N ATOM 148 CA THR A 9 33.147 43.350 17.351 1.00 0.00 C ATOM 149 C THR A 9 32.523 43.845 16.045 1.00 0.00 C ATOM 150 O THR A 9 32.987 44.793 15.445 1.00 0.00 O ATOM 151 CB THR A 9 34.586 42.897 17.095 1.00 0.00 C ATOM 152 OG1 THR A 9 34.579 41.720 16.299 1.00 0.00 O ATOM 153 CG2 THR A 9 35.275 42.611 18.430 1.00 0.00 C ATOM 0 H THR A 9 32.728 41.279 17.668 1.00 0.00 H new ATOM 0 HA THR A 9 33.149 44.159 18.081 1.00 0.00 H new ATOM 0 HB THR A 9 35.127 43.684 16.570 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.501 41.431 16.134 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.300 42.288 18.249 1.00 0.00 H new ATOM 0 HG22 THR A 9 35.282 43.516 19.037 1.00 0.00 H new ATOM 0 HG23 THR A 9 34.735 41.824 18.957 1.00 0.00 H new ATOM 161 N GLY A 10 31.468 43.213 15.608 1.00 0.00 N ATOM 162 CA GLY A 10 30.804 43.647 14.346 1.00 0.00 C ATOM 163 C GLY A 10 31.483 42.986 13.148 1.00 0.00 C ATOM 164 O GLY A 10 31.136 43.242 12.012 1.00 0.00 O ATOM 0 H GLY A 10 31.036 42.413 16.071 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.748 43.379 14.370 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.856 44.732 14.252 1.00 0.00 H new ATOM 168 N LYS A 11 32.453 42.140 13.380 1.00 0.00 N ATOM 169 CA LYS A 11 33.146 41.476 12.240 1.00 0.00 C ATOM 170 C LYS A 11 32.328 40.277 11.756 1.00 0.00 C ATOM 171 O LYS A 11 32.113 39.317 12.475 1.00 0.00 O ATOM 172 CB LYS A 11 34.531 40.996 12.694 1.00 0.00 C ATOM 173 CG LYS A 11 35.364 42.184 13.203 1.00 0.00 C ATOM 174 CD LYS A 11 36.019 42.916 12.026 1.00 0.00 C ATOM 175 CE LYS A 11 36.926 44.027 12.559 1.00 0.00 C ATOM 176 NZ LYS A 11 36.101 45.024 13.298 1.00 0.00 N ATOM 0 H LYS A 11 32.793 41.882 14.306 1.00 0.00 H new ATOM 0 HA LYS A 11 33.253 42.190 11.423 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.425 40.252 13.483 1.00 0.00 H new ATOM 0 HB3 LYS A 11 35.046 40.510 11.865 1.00 0.00 H new ATOM 0 HG2 LYS A 11 34.727 42.872 13.759 1.00 0.00 H new ATOM 0 HG3 LYS A 11 36.131 41.831 13.893 1.00 0.00 H new ATOM 0 HD2 LYS A 11 36.599 42.215 11.425 1.00 0.00 H new ATOM 0 HD3 LYS A 11 35.254 43.338 11.374 1.00 0.00 H new ATOM 0 HE2 LYS A 11 37.686 43.607 13.218 1.00 0.00 H new ATOM 0 HE3 LYS A 11 37.450 44.511 11.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 36.641 45.906 13.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 35.230 45.217 12.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 35.856 44.646 14.235 1.00 0.00 H new ATOM 190 N THR A 12 31.859 40.344 10.535 1.00 0.00 N ATOM 191 CA THR A 12 31.042 39.231 9.961 1.00 0.00 C ATOM 192 C THR A 12 31.894 38.429 8.970 1.00 0.00 C ATOM 193 O THR A 12 32.582 38.985 8.137 1.00 0.00 O ATOM 194 CB THR A 12 29.832 39.813 9.229 1.00 0.00 C ATOM 195 OG1 THR A 12 29.070 40.603 10.130 1.00 0.00 O ATOM 196 CG2 THR A 12 28.966 38.674 8.689 1.00 0.00 C ATOM 0 H THR A 12 32.009 41.132 9.904 1.00 0.00 H new ATOM 0 HA THR A 12 30.705 38.578 10.766 1.00 0.00 H new ATOM 0 HB THR A 12 30.172 40.434 8.400 1.00 0.00 H new ATOM 0 HG1 THR A 12 28.295 40.978 9.662 1.00 0.00 H new ATOM 0 HG21 THR A 12 28.103 39.089 8.167 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.552 38.068 7.998 1.00 0.00 H new ATOM 0 HG23 THR A 12 28.625 38.052 9.517 1.00 0.00 H new ATOM 204 N ILE A 13 31.833 37.124 9.051 1.00 0.00 N ATOM 205 CA ILE A 13 32.619 36.257 8.109 1.00 0.00 C ATOM 206 C ILE A 13 31.690 35.195 7.518 1.00 0.00 C ATOM 207 O ILE A 13 30.806 34.694 8.185 1.00 0.00 O ATOM 208 CB ILE A 13 33.769 35.581 8.862 1.00 0.00 C ATOM 209 CG1 ILE A 13 33.221 34.843 10.081 1.00 0.00 C ATOM 210 CG2 ILE A 13 34.771 36.642 9.321 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.357 34.090 10.775 1.00 0.00 C ATOM 0 H ILE A 13 31.270 36.615 9.732 1.00 0.00 H new ATOM 0 HA ILE A 13 33.035 36.868 7.308 1.00 0.00 H new ATOM 0 HB ILE A 13 34.265 34.871 8.200 1.00 0.00 H new ATOM 0 HG12 ILE A 13 32.764 35.551 10.773 1.00 0.00 H new ATOM 0 HG13 ILE A 13 32.441 34.145 9.777 1.00 0.00 H new ATOM 0 HG21 ILE A 13 35.590 36.162 9.857 1.00 0.00 H new ATOM 0 HG22 ILE A 13 35.166 37.169 8.453 1.00 0.00 H new ATOM 0 HG23 ILE A 13 34.272 37.352 9.981 1.00 0.00 H new ATOM 0 HD11 ILE A 13 33.966 33.563 11.645 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.794 33.371 10.082 1.00 0.00 H new ATOM 0 HD13 ILE A 13 35.122 34.798 11.093 1.00 0.00 H new ATOM 223 N THR A 14 31.873 34.854 6.266 1.00 0.00 N ATOM 224 CA THR A 14 30.992 33.831 5.620 1.00 0.00 C ATOM 225 C THR A 14 31.708 32.479 5.575 1.00 0.00 C ATOM 226 O THR A 14 32.844 32.381 5.154 1.00 0.00 O ATOM 227 CB THR A 14 30.667 34.280 4.191 1.00 0.00 C ATOM 228 OG1 THR A 14 29.698 33.405 3.631 1.00 0.00 O ATOM 229 CG2 THR A 14 31.936 34.253 3.334 1.00 0.00 C ATOM 0 H THR A 14 32.597 35.241 5.661 1.00 0.00 H new ATOM 0 HA THR A 14 30.073 33.730 6.197 1.00 0.00 H new ATOM 0 HB THR A 14 30.274 35.296 4.215 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.808 33.809 3.710 1.00 0.00 H new ATOM 0 HG21 THR A 14 31.697 34.573 2.320 1.00 0.00 H new ATOM 0 HG22 THR A 14 32.678 34.927 3.762 1.00 0.00 H new ATOM 0 HG23 THR A 14 32.337 33.240 3.309 1.00 0.00 H new ATOM 237 N LEU A 15 31.045 31.438 6.012 1.00 0.00 N ATOM 238 CA LEU A 15 31.663 30.073 6.007 1.00 0.00 C ATOM 239 C LEU A 15 30.740 29.092 5.284 1.00 0.00 C ATOM 240 O LEU A 15 29.531 29.172 5.380 1.00 0.00 O ATOM 241 CB LEU A 15 31.852 29.593 7.450 1.00 0.00 C ATOM 242 CG LEU A 15 32.866 30.483 8.183 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.781 30.203 9.686 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.295 30.192 7.693 1.00 0.00 C ATOM 0 H LEU A 15 30.093 31.474 6.376 1.00 0.00 H new ATOM 0 HA LEU A 15 32.626 30.120 5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.896 29.612 7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.197 28.559 7.454 1.00 0.00 H new ATOM 0 HG LEU A 15 32.632 31.528 7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.498 30.831 10.214 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.774 30.424 10.041 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.010 29.154 9.874 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.999 30.832 8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.539 29.147 7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.360 30.390 6.623 1.00 0.00 H new ATOM 256 N GLU A 16 31.313 28.144 4.587 1.00 0.00 N ATOM 257 CA GLU A 16 30.497 27.115 3.874 1.00 0.00 C ATOM 258 C GLU A 16 30.624 25.809 4.656 1.00 0.00 C ATOM 259 O GLU A 16 31.717 25.358 4.939 1.00 0.00 O ATOM 260 CB GLU A 16 31.040 26.918 2.455 1.00 0.00 C ATOM 261 CG GLU A 16 30.835 28.201 1.645 1.00 0.00 C ATOM 262 CD GLU A 16 31.278 27.969 0.198 1.00 0.00 C ATOM 263 OE1 GLU A 16 32.424 27.601 0.001 1.00 0.00 O ATOM 264 OE2 GLU A 16 30.463 28.163 -0.688 1.00 0.00 O ATOM 0 H GLU A 16 32.322 28.038 4.480 1.00 0.00 H new ATOM 0 HA GLU A 16 29.455 27.428 3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.099 26.664 2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.530 26.085 1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 16 29.786 28.497 1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.408 29.017 2.085 1.00 0.00 H new ATOM 271 N VAL A 17 29.527 25.200 5.027 1.00 0.00 N ATOM 272 CA VAL A 17 29.609 23.931 5.816 1.00 0.00 C ATOM 273 C VAL A 17 28.476 22.986 5.409 1.00 0.00 C ATOM 274 O VAL A 17 27.696 23.273 4.524 1.00 0.00 O ATOM 275 CB VAL A 17 29.515 24.257 7.322 1.00 0.00 C ATOM 276 CG1 VAL A 17 30.233 25.580 7.603 1.00 0.00 C ATOM 277 CG2 VAL A 17 28.044 24.378 7.762 1.00 0.00 C ATOM 0 H VAL A 17 28.582 25.523 4.820 1.00 0.00 H new ATOM 0 HA VAL A 17 30.561 23.440 5.613 1.00 0.00 H new ATOM 0 HB VAL A 17 29.985 23.448 7.882 1.00 0.00 H new ATOM 0 HG11 VAL A 17 30.167 25.811 8.666 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.281 25.494 7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 17 29.763 26.378 7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 17 28.000 24.608 8.827 1.00 0.00 H new ATOM 0 HG22 VAL A 17 27.560 25.176 7.198 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.529 23.436 7.573 1.00 0.00 H new ATOM 287 N GLU A 18 28.381 21.868 6.080 1.00 0.00 N ATOM 288 CA GLU A 18 27.304 20.875 5.790 1.00 0.00 C ATOM 289 C GLU A 18 26.433 20.736 7.046 1.00 0.00 C ATOM 290 O GLU A 18 26.904 20.929 8.148 1.00 0.00 O ATOM 291 CB GLU A 18 27.947 19.524 5.461 1.00 0.00 C ATOM 292 CG GLU A 18 28.503 19.555 4.036 1.00 0.00 C ATOM 293 CD GLU A 18 29.082 18.183 3.686 1.00 0.00 C ATOM 294 OE1 GLU A 18 28.758 17.231 4.376 1.00 0.00 O ATOM 295 OE2 GLU A 18 29.841 18.108 2.733 1.00 0.00 O ATOM 0 H GLU A 18 29.016 21.596 6.830 1.00 0.00 H new ATOM 0 HA GLU A 18 26.697 21.201 4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.746 19.308 6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.211 18.726 5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.714 19.819 3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.275 20.320 3.952 1.00 0.00 H new ATOM 302 N PRO A 19 25.179 20.396 6.900 1.00 0.00 N ATOM 303 CA PRO A 19 24.262 20.228 8.067 1.00 0.00 C ATOM 304 C PRO A 19 24.675 19.025 8.916 1.00 0.00 C ATOM 305 O PRO A 19 24.530 19.014 10.123 1.00 0.00 O ATOM 306 CB PRO A 19 22.894 19.995 7.412 1.00 0.00 C ATOM 307 CG PRO A 19 23.227 19.400 6.089 1.00 0.00 C ATOM 308 CD PRO A 19 24.487 20.122 5.630 1.00 0.00 C ATOM 0 HA PRO A 19 24.270 21.083 8.743 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.275 19.324 8.007 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.339 20.927 7.303 1.00 0.00 H new ATOM 0 HG2 PRO A 19 23.397 18.327 6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.412 19.540 5.378 1.00 0.00 H new ATOM 0 HD2 PRO A 19 25.090 19.503 4.965 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.255 21.039 5.089 1.00 0.00 H new ATOM 316 N SER A 20 25.195 18.012 8.282 1.00 0.00 N ATOM 317 CA SER A 20 25.629 16.802 9.027 1.00 0.00 C ATOM 318 C SER A 20 27.034 17.034 9.581 1.00 0.00 C ATOM 319 O SER A 20 27.620 16.162 10.193 1.00 0.00 O ATOM 320 CB SER A 20 25.647 15.601 8.081 1.00 0.00 C ATOM 321 OG SER A 20 24.339 15.388 7.568 1.00 0.00 O ATOM 0 H SER A 20 25.338 17.972 7.273 1.00 0.00 H new ATOM 0 HA SER A 20 24.938 16.606 9.847 1.00 0.00 H new ATOM 0 HB2 SER A 20 26.346 15.778 7.264 1.00 0.00 H new ATOM 0 HB3 SER A 20 25.992 14.712 8.609 1.00 0.00 H new ATOM 0 HG SER A 20 24.347 14.620 6.960 1.00 0.00 H new ATOM 327 N ASP A 21 27.587 18.203 9.377 1.00 0.00 N ATOM 328 CA ASP A 21 28.957 18.465 9.905 1.00 0.00 C ATOM 329 C ASP A 21 28.904 18.473 11.434 1.00 0.00 C ATOM 330 O ASP A 21 27.905 18.844 12.032 1.00 0.00 O ATOM 331 CB ASP A 21 29.480 19.818 9.377 1.00 0.00 C ATOM 332 CG ASP A 21 31.010 19.775 9.262 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.499 19.042 8.419 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.664 20.470 10.020 1.00 0.00 O ATOM 0 H ASP A 21 27.154 18.978 8.874 1.00 0.00 H new ATOM 0 HA ASP A 21 29.638 17.683 9.569 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.039 20.034 8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.179 20.622 10.049 1.00 0.00 H new ATOM 339 N THR A 22 29.967 18.059 12.077 1.00 0.00 N ATOM 340 CA THR A 22 29.977 18.032 13.566 1.00 0.00 C ATOM 341 C THR A 22 30.510 19.363 14.094 1.00 0.00 C ATOM 342 O THR A 22 31.186 20.093 13.401 1.00 0.00 O ATOM 343 CB THR A 22 30.879 16.882 14.048 1.00 0.00 C ATOM 344 OG1 THR A 22 30.825 15.818 13.109 1.00 0.00 O ATOM 345 CG2 THR A 22 30.402 16.379 15.411 1.00 0.00 C ATOM 0 H THR A 22 30.827 17.739 11.632 1.00 0.00 H new ATOM 0 HA THR A 22 28.964 17.877 13.938 1.00 0.00 H new ATOM 0 HB THR A 22 31.903 17.244 14.139 1.00 0.00 H new ATOM 0 HG1 THR A 22 31.400 15.085 13.412 1.00 0.00 H new ATOM 0 HG21 THR A 22 31.046 15.565 15.744 1.00 0.00 H new ATOM 0 HG22 THR A 22 30.443 17.194 16.134 1.00 0.00 H new ATOM 0 HG23 THR A 22 29.377 16.019 15.327 1.00 0.00 H new ATOM 353 N ILE A 23 30.211 19.673 15.319 1.00 0.00 N ATOM 354 CA ILE A 23 30.703 20.954 15.894 1.00 0.00 C ATOM 355 C ILE A 23 32.234 20.968 15.824 1.00 0.00 C ATOM 356 O ILE A 23 32.844 21.982 15.549 1.00 0.00 O ATOM 357 CB ILE A 23 30.248 21.089 17.354 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.716 20.947 17.461 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.665 22.460 17.889 1.00 0.00 C ATOM 360 CD1 ILE A 23 28.020 21.893 16.475 1.00 0.00 C ATOM 0 H ILE A 23 29.649 19.099 15.947 1.00 0.00 H new ATOM 0 HA ILE A 23 30.296 21.790 15.326 1.00 0.00 H new ATOM 0 HB ILE A 23 30.716 20.299 17.941 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.425 19.917 17.254 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.394 21.171 18.478 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.343 22.559 18.926 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.749 22.557 17.835 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.200 23.242 17.288 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.939 21.780 16.564 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.297 22.923 16.701 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.328 21.650 15.458 1.00 0.00 H new ATOM 372 N GLU A 24 32.858 19.848 16.065 1.00 0.00 N ATOM 373 CA GLU A 24 34.350 19.789 16.009 1.00 0.00 C ATOM 374 C GLU A 24 34.835 20.131 14.600 1.00 0.00 C ATOM 375 O GLU A 24 35.734 20.926 14.413 1.00 0.00 O ATOM 376 CB GLU A 24 34.805 18.372 16.359 1.00 0.00 C ATOM 377 CG GLU A 24 36.311 18.367 16.628 1.00 0.00 C ATOM 378 CD GLU A 24 36.751 16.965 17.056 1.00 0.00 C ATOM 379 OE1 GLU A 24 36.679 16.679 18.240 1.00 0.00 O ATOM 380 OE2 GLU A 24 37.153 16.202 16.193 1.00 0.00 O ATOM 0 H GLU A 24 32.399 18.968 16.299 1.00 0.00 H new ATOM 0 HA GLU A 24 34.765 20.506 16.717 1.00 0.00 H new ATOM 0 HB2 GLU A 24 34.268 18.013 17.237 1.00 0.00 H new ATOM 0 HB3 GLU A 24 34.569 17.691 15.541 1.00 0.00 H new ATOM 0 HG2 GLU A 24 36.852 18.671 15.732 1.00 0.00 H new ATOM 0 HG3 GLU A 24 36.554 19.089 17.407 1.00 0.00 H new ATOM 387 N ASN A 25 34.247 19.530 13.608 1.00 0.00 N ATOM 388 CA ASN A 25 34.669 19.807 12.201 1.00 0.00 C ATOM 389 C ASN A 25 34.392 21.275 11.852 1.00 0.00 C ATOM 390 O ASN A 25 35.224 21.966 11.287 1.00 0.00 O ATOM 391 CB ASN A 25 33.876 18.901 11.249 1.00 0.00 C ATOM 392 CG ASN A 25 34.392 17.465 11.362 1.00 0.00 C ATOM 393 OD1 ASN A 25 34.259 16.823 12.491 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 34.925 16.922 10.415 1.00 0.00 N flip ATOM 0 H ASN A 25 33.489 18.855 13.706 1.00 0.00 H new ATOM 0 HA ASN A 25 35.736 19.609 12.099 1.00 0.00 H new ATOM 0 HB2 ASN A 25 32.815 18.938 11.495 1.00 0.00 H new ATOM 0 HB3 ASN A 25 33.978 19.256 10.223 1.00 0.00 H new ATOM 0 HD21 ASN A 25 35.029 17.423 9.532 1.00 0.00 H new ATOM 0 HD22 ASN A 25 35.268 15.965 10.502 1.00 0.00 H new ATOM 401 N VAL A 26 33.227 21.748 12.186 1.00 0.00 N ATOM 402 CA VAL A 26 32.879 23.161 11.876 1.00 0.00 C ATOM 403 C VAL A 26 33.820 24.100 12.638 1.00 0.00 C ATOM 404 O VAL A 26 34.146 25.177 12.171 1.00 0.00 O ATOM 405 CB VAL A 26 31.425 23.439 12.267 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.108 24.913 12.035 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.491 22.589 11.399 1.00 0.00 C ATOM 0 H VAL A 26 32.498 21.216 12.662 1.00 0.00 H new ATOM 0 HA VAL A 26 32.992 23.334 10.806 1.00 0.00 H new ATOM 0 HB VAL A 26 31.282 23.191 13.319 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.073 25.111 12.313 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.771 25.528 12.643 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.253 25.155 10.982 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.456 22.787 11.677 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.639 22.842 10.349 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.713 21.533 11.552 1.00 0.00 H new ATOM 417 N LYS A 27 34.282 23.700 13.797 1.00 0.00 N ATOM 418 CA LYS A 27 35.215 24.575 14.559 1.00 0.00 C ATOM 419 C LYS A 27 36.536 24.613 13.802 1.00 0.00 C ATOM 420 O LYS A 27 37.238 25.605 13.790 1.00 0.00 O ATOM 421 CB LYS A 27 35.440 24.004 15.975 1.00 0.00 C ATOM 422 CG LYS A 27 34.332 24.475 16.931 1.00 0.00 C ATOM 423 CD LYS A 27 34.763 24.223 18.381 1.00 0.00 C ATOM 424 CE LYS A 27 34.895 22.719 18.637 1.00 0.00 C ATOM 425 NZ LYS A 27 36.193 22.232 18.088 1.00 0.00 N ATOM 0 H LYS A 27 34.053 22.812 14.243 1.00 0.00 H new ATOM 0 HA LYS A 27 34.799 25.578 14.657 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.455 22.915 15.936 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.412 24.323 16.351 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.133 25.536 16.779 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.404 23.943 16.719 1.00 0.00 H new ATOM 0 HD2 LYS A 27 35.714 24.718 18.577 1.00 0.00 H new ATOM 0 HD3 LYS A 27 34.032 24.654 19.066 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.841 22.515 19.706 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.067 22.186 18.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 36.610 21.542 18.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 36.032 21.779 17.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 36.843 23.035 17.971 1.00 0.00 H new ATOM 439 N ALA A 28 36.866 23.536 13.157 1.00 0.00 N ATOM 440 CA ALA A 28 38.127 23.494 12.383 1.00 0.00 C ATOM 441 C ALA A 28 38.075 24.595 11.319 1.00 0.00 C ATOM 442 O ALA A 28 38.918 25.468 11.272 1.00 0.00 O ATOM 443 CB ALA A 28 38.237 22.118 11.727 1.00 0.00 C ATOM 0 H ALA A 28 36.313 22.679 13.133 1.00 0.00 H new ATOM 0 HA ALA A 28 38.994 23.657 13.023 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.160 22.063 11.150 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.244 21.347 12.498 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.385 21.961 11.065 1.00 0.00 H new ATOM 449 N LYS A 29 37.092 24.554 10.461 1.00 0.00 N ATOM 450 CA LYS A 29 36.989 25.600 9.404 1.00 0.00 C ATOM 451 C LYS A 29 37.119 26.991 10.044 1.00 0.00 C ATOM 452 O LYS A 29 37.803 27.857 9.537 1.00 0.00 O ATOM 453 CB LYS A 29 35.629 25.478 8.707 1.00 0.00 C ATOM 454 CG LYS A 29 35.672 24.366 7.654 1.00 0.00 C ATOM 455 CD LYS A 29 36.218 23.074 8.268 1.00 0.00 C ATOM 456 CE LYS A 29 36.026 21.919 7.283 1.00 0.00 C ATOM 457 NZ LYS A 29 34.591 21.831 6.889 1.00 0.00 N ATOM 0 H LYS A 29 36.359 23.845 10.446 1.00 0.00 H new ATOM 0 HA LYS A 29 37.787 25.465 8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 29 34.853 25.263 9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.367 26.425 8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 29 34.672 24.193 7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 29 36.299 24.672 6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.275 23.191 8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.702 22.857 9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 29 36.647 22.073 6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.347 20.982 7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 34.376 20.863 6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 33.992 22.071 7.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 34.403 22.497 6.113 1.00 0.00 H new ATOM 471 N ILE A 30 36.470 27.205 11.157 1.00 0.00 N ATOM 472 CA ILE A 30 36.563 28.540 11.822 1.00 0.00 C ATOM 473 C ILE A 30 38.008 28.801 12.259 1.00 0.00 C ATOM 474 O ILE A 30 38.533 29.882 12.077 1.00 0.00 O ATOM 475 CB ILE A 30 35.640 28.584 13.045 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.183 28.549 12.569 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.888 29.880 13.835 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.249 28.370 13.769 1.00 0.00 C ATOM 0 H ILE A 30 35.883 26.520 11.633 1.00 0.00 H new ATOM 0 HA ILE A 30 36.254 29.310 11.115 1.00 0.00 H new ATOM 0 HB ILE A 30 35.842 27.728 13.689 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.941 29.472 12.043 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.042 27.732 11.861 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.230 29.908 14.704 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.926 29.912 14.165 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.683 30.740 13.197 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.215 28.346 13.425 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.484 27.435 14.277 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.382 29.202 14.461 1.00 0.00 H new ATOM 490 N GLN A 31 38.648 27.827 12.842 1.00 0.00 N ATOM 491 CA GLN A 31 40.053 28.017 13.304 1.00 0.00 C ATOM 492 C GLN A 31 40.986 28.182 12.100 1.00 0.00 C ATOM 493 O GLN A 31 41.821 29.064 12.065 1.00 0.00 O ATOM 494 CB GLN A 31 40.483 26.785 14.105 1.00 0.00 C ATOM 495 CG GLN A 31 41.887 27.002 14.673 1.00 0.00 C ATOM 496 CD GLN A 31 42.280 25.797 15.531 1.00 0.00 C ATOM 497 OE1 GLN A 31 41.514 24.865 15.677 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.449 25.776 16.110 1.00 0.00 N ATOM 0 H GLN A 31 38.257 26.902 13.020 1.00 0.00 H new ATOM 0 HA GLN A 31 40.110 28.911 13.925 1.00 0.00 H new ATOM 0 HB2 GLN A 31 39.777 26.602 14.915 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.471 25.902 13.466 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.603 27.134 13.862 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.912 27.912 15.272 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.093 26.558 15.988 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.719 24.978 16.685 1.00 0.00 H new ATOM 507 N ASP A 32 40.870 27.320 11.132 1.00 0.00 N ATOM 508 CA ASP A 32 41.766 27.390 9.941 1.00 0.00 C ATOM 509 C ASP A 32 41.542 28.680 9.144 1.00 0.00 C ATOM 510 O ASP A 32 42.385 29.071 8.360 1.00 0.00 O ATOM 511 CB ASP A 32 41.483 26.189 9.034 1.00 0.00 C ATOM 512 CG ASP A 32 41.787 24.894 9.789 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.792 24.854 10.477 1.00 0.00 O ATOM 514 OD2 ASP A 32 41.007 23.963 9.665 1.00 0.00 O ATOM 0 H ASP A 32 40.188 26.562 11.112 1.00 0.00 H new ATOM 0 HA ASP A 32 42.799 27.378 10.289 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.441 26.199 8.714 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.094 26.249 8.133 1.00 0.00 H new ATOM 519 N LYS A 33 40.424 29.343 9.309 1.00 0.00 N ATOM 520 CA LYS A 33 40.173 30.598 8.529 1.00 0.00 C ATOM 521 C LYS A 33 40.505 31.835 9.370 1.00 0.00 C ATOM 522 O LYS A 33 41.169 32.743 8.910 1.00 0.00 O ATOM 523 CB LYS A 33 38.694 30.647 8.123 1.00 0.00 C ATOM 524 CG LYS A 33 38.363 29.475 7.178 1.00 0.00 C ATOM 525 CD LYS A 33 38.680 29.854 5.725 1.00 0.00 C ATOM 526 CE LYS A 33 38.443 28.644 4.820 1.00 0.00 C ATOM 527 NZ LYS A 33 37.000 28.271 4.855 1.00 0.00 N ATOM 0 H LYS A 33 39.676 29.072 9.947 1.00 0.00 H new ATOM 0 HA LYS A 33 40.810 30.596 7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.064 30.597 9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.476 31.594 7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.938 28.595 7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.309 29.211 7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 33 38.051 30.686 5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 33 39.715 30.187 5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 33 38.745 28.876 3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 33 39.055 27.804 5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 36.781 27.656 4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 36.793 27.766 5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 36.418 29.131 4.804 1.00 0.00 H new ATOM 541 N GLU A 34 40.043 31.894 10.593 1.00 0.00 N ATOM 542 CA GLU A 34 40.329 33.091 11.443 1.00 0.00 C ATOM 543 C GLU A 34 41.625 32.872 12.226 1.00 0.00 C ATOM 544 O GLU A 34 42.326 33.808 12.556 1.00 0.00 O ATOM 545 CB GLU A 34 39.168 33.314 12.414 1.00 0.00 C ATOM 546 CG GLU A 34 37.886 33.575 11.618 1.00 0.00 C ATOM 547 CD GLU A 34 37.995 34.921 10.898 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.964 35.936 11.574 1.00 0.00 O ATOM 549 OE2 GLU A 34 38.104 34.913 9.682 1.00 0.00 O ATOM 0 H GLU A 34 39.482 31.168 11.039 1.00 0.00 H new ATOM 0 HA GLU A 34 40.442 33.969 10.807 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.041 32.441 13.054 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.383 34.160 13.068 1.00 0.00 H new ATOM 0 HG2 GLU A 34 37.726 32.776 10.894 1.00 0.00 H new ATOM 0 HG3 GLU A 34 37.025 33.577 12.286 1.00 0.00 H new ATOM 556 N GLY A 35 41.964 31.643 12.509 1.00 0.00 N ATOM 557 CA GLY A 35 43.228 31.365 13.250 1.00 0.00 C ATOM 558 C GLY A 35 43.020 31.499 14.762 1.00 0.00 C ATOM 559 O GLY A 35 43.966 31.452 15.525 1.00 0.00 O ATOM 0 H GLY A 35 41.419 30.818 12.258 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.578 30.360 13.015 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.005 32.057 12.924 1.00 0.00 H new ATOM 563 N ILE A 36 41.804 31.658 15.215 1.00 0.00 N ATOM 564 CA ILE A 36 41.574 31.785 16.688 1.00 0.00 C ATOM 565 C ILE A 36 41.344 30.380 17.283 1.00 0.00 C ATOM 566 O ILE A 36 40.380 29.726 16.936 1.00 0.00 O ATOM 567 CB ILE A 36 40.332 32.646 16.934 1.00 0.00 C ATOM 568 CG1 ILE A 36 40.480 33.969 16.178 1.00 0.00 C ATOM 569 CG2 ILE A 36 40.201 32.930 18.433 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.241 34.835 16.408 1.00 0.00 C ATOM 0 H ILE A 36 40.966 31.705 14.636 1.00 0.00 H new ATOM 0 HA ILE A 36 42.440 32.250 17.159 1.00 0.00 H new ATOM 0 HB ILE A 36 39.444 32.120 16.584 1.00 0.00 H new ATOM 0 HG12 ILE A 36 41.372 34.495 16.518 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.609 33.778 15.113 1.00 0.00 H new ATOM 0 HG21 ILE A 36 39.317 33.543 18.611 1.00 0.00 H new ATOM 0 HG22 ILE A 36 40.105 31.989 18.975 1.00 0.00 H new ATOM 0 HG23 ILE A 36 41.087 33.461 18.782 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.350 35.776 15.869 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.357 34.309 16.046 1.00 0.00 H new ATOM 0 HD13 ILE A 36 39.132 35.038 17.473 1.00 0.00 H new ATOM 582 N PRO A 37 42.201 29.899 18.168 1.00 0.00 N ATOM 583 CA PRO A 37 42.021 28.544 18.775 1.00 0.00 C ATOM 584 C PRO A 37 40.585 28.326 19.291 1.00 0.00 C ATOM 585 O PRO A 37 39.924 29.256 19.705 1.00 0.00 O ATOM 586 CB PRO A 37 43.020 28.533 19.941 1.00 0.00 C ATOM 587 CG PRO A 37 44.100 29.479 19.530 1.00 0.00 C ATOM 588 CD PRO A 37 43.423 30.560 18.680 1.00 0.00 C ATOM 0 HA PRO A 37 42.190 27.747 18.051 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.547 28.853 20.870 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.416 27.532 20.113 1.00 0.00 H new ATOM 0 HG2 PRO A 37 44.586 29.917 20.402 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.873 28.963 18.960 1.00 0.00 H new ATOM 0 HD2 PRO A 37 43.181 31.442 19.274 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.069 30.891 17.867 1.00 0.00 H new ATOM 596 N PRO A 38 40.102 27.107 19.271 1.00 0.00 N ATOM 597 CA PRO A 38 38.722 26.782 19.741 1.00 0.00 C ATOM 598 C PRO A 38 38.575 26.921 21.259 1.00 0.00 C ATOM 599 O PRO A 38 37.507 27.211 21.762 1.00 0.00 O ATOM 600 CB PRO A 38 38.528 25.328 19.301 1.00 0.00 C ATOM 601 CG PRO A 38 39.903 24.774 19.322 1.00 0.00 C ATOM 602 CD PRO A 38 40.803 25.895 18.815 1.00 0.00 C ATOM 0 HA PRO A 38 37.978 27.463 19.328 1.00 0.00 H new ATOM 0 HB2 PRO A 38 37.867 24.788 19.979 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.085 25.265 18.307 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.187 24.468 20.329 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.980 23.892 18.687 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.808 25.827 19.233 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.906 25.871 17.730 1.00 0.00 H new ATOM 610 N ASP A 39 39.634 26.727 21.995 1.00 0.00 N ATOM 611 CA ASP A 39 39.541 26.852 23.473 1.00 0.00 C ATOM 612 C ASP A 39 39.489 28.329 23.863 1.00 0.00 C ATOM 613 O ASP A 39 39.373 28.663 25.025 1.00 0.00 O ATOM 614 CB ASP A 39 40.763 26.200 24.119 1.00 0.00 C ATOM 615 CG ASP A 39 40.857 24.736 23.685 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.836 24.069 23.691 1.00 0.00 O ATOM 617 OD2 ASP A 39 41.951 24.306 23.357 1.00 0.00 O ATOM 0 H ASP A 39 40.558 26.488 21.636 1.00 0.00 H new ATOM 0 HA ASP A 39 38.635 26.354 23.819 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.668 26.734 23.829 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.690 26.263 25.205 1.00 0.00 H new ATOM 622 N GLN A 40 39.570 29.221 22.902 1.00 0.00 N ATOM 623 CA GLN A 40 39.520 30.683 23.211 1.00 0.00 C ATOM 624 C GLN A 40 38.166 31.252 22.788 1.00 0.00 C ATOM 625 O GLN A 40 37.913 32.437 22.917 1.00 0.00 O ATOM 626 CB GLN A 40 40.640 31.400 22.448 1.00 0.00 C ATOM 627 CG GLN A 40 41.998 30.956 22.999 1.00 0.00 C ATOM 628 CD GLN A 40 42.167 31.479 24.427 1.00 0.00 C ATOM 629 OE1 GLN A 40 42.297 30.709 25.357 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.166 32.767 24.641 1.00 0.00 N ATOM 0 H GLN A 40 39.669 28.995 21.912 1.00 0.00 H new ATOM 0 HA GLN A 40 39.653 30.834 24.282 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.575 31.171 21.384 1.00 0.00 H new ATOM 0 HB3 GLN A 40 40.530 32.480 22.549 1.00 0.00 H new ATOM 0 HG2 GLN A 40 42.068 29.868 22.988 1.00 0.00 H new ATOM 0 HG3 GLN A 40 42.800 31.334 22.365 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.057 33.414 23.860 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.274 33.126 25.589 1.00 0.00 H new ATOM 639 N GLN A 41 37.289 30.422 22.280 1.00 0.00 N ATOM 640 CA GLN A 41 35.956 30.925 21.835 1.00 0.00 C ATOM 641 C GLN A 41 34.847 29.935 22.181 1.00 0.00 C ATOM 642 O GLN A 41 35.059 28.743 22.283 1.00 0.00 O ATOM 643 CB GLN A 41 35.996 31.124 20.320 1.00 0.00 C ATOM 644 CG GLN A 41 36.517 29.852 19.644 1.00 0.00 C ATOM 645 CD GLN A 41 36.529 30.048 18.126 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.459 29.769 17.432 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 37.525 30.461 17.564 1.00 0.00 N flip ATOM 0 H GLN A 41 37.439 29.421 22.155 1.00 0.00 H new ATOM 0 HA GLN A 41 35.745 31.864 22.347 1.00 0.00 H new ATOM 0 HB2 GLN A 41 34.999 31.362 19.949 1.00 0.00 H new ATOM 0 HB3 GLN A 41 36.639 31.968 20.072 1.00 0.00 H new ATOM 0 HG2 GLN A 41 37.522 29.624 20.000 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.886 29.003 19.907 1.00 0.00 H new ATOM 0 HE21 GLN A 41 38.362 30.680 18.105 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.524 30.589 16.552 1.00 0.00 H new ATOM 656 N ARG A 42 33.650 30.438 22.321 1.00 0.00 N ATOM 657 CA ARG A 42 32.474 29.572 22.616 1.00 0.00 C ATOM 658 C ARG A 42 31.370 29.947 21.621 1.00 0.00 C ATOM 659 O ARG A 42 31.063 31.109 21.426 1.00 0.00 O ATOM 660 CB ARG A 42 32.032 29.781 24.070 1.00 0.00 C ATOM 661 CG ARG A 42 33.162 29.289 25.017 1.00 0.00 C ATOM 662 CD ARG A 42 32.622 28.909 26.411 1.00 0.00 C ATOM 663 NE ARG A 42 32.815 30.074 27.323 1.00 0.00 N ATOM 664 CZ ARG A 42 33.334 29.950 28.520 1.00 0.00 C ATOM 665 NH1 ARG A 42 33.357 30.987 29.295 1.00 0.00 N ATOM 666 NH2 ARG A 42 33.847 28.827 28.948 1.00 0.00 N ATOM 0 H ARG A 42 33.435 31.432 22.242 1.00 0.00 H new ATOM 0 HA ARG A 42 32.715 28.515 22.505 1.00 0.00 H new ATOM 0 HB2 ARG A 42 31.821 30.835 24.252 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.111 29.233 24.266 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.658 28.426 24.572 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.915 30.071 25.120 1.00 0.00 H new ATOM 0 HD2 ARG A 42 31.566 28.646 26.350 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.147 28.035 26.796 1.00 0.00 H new ATOM 0 HE ARG A 42 32.533 31.001 27.003 1.00 0.00 H new ATOM 0 HH11 ARG A 42 32.976 31.876 28.969 1.00 0.00 H new ATOM 0 HH12 ARG A 42 33.756 30.915 30.231 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.853 28.006 28.343 1.00 0.00 H new ATOM 0 HH22 ARG A 42 34.241 28.772 29.887 1.00 0.00 H new ATOM 680 N LEU A 43 30.816 28.969 20.947 1.00 0.00 N ATOM 681 CA LEU A 43 29.776 29.257 19.907 1.00 0.00 C ATOM 682 C LEU A 43 28.362 29.123 20.476 1.00 0.00 C ATOM 683 O LEU A 43 27.965 28.073 20.955 1.00 0.00 O ATOM 684 CB LEU A 43 29.937 28.270 18.744 1.00 0.00 C ATOM 685 CG LEU A 43 31.258 28.534 17.989 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.678 27.271 17.233 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.079 29.674 16.976 1.00 0.00 C ATOM 0 H LEU A 43 31.039 27.981 21.072 1.00 0.00 H new ATOM 0 HA LEU A 43 29.915 30.283 19.565 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.926 27.248 19.123 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.095 28.366 18.059 1.00 0.00 H new ATOM 0 HG LEU A 43 32.021 28.811 18.716 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.610 27.459 16.701 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.822 26.454 17.941 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.901 26.999 16.519 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.019 29.847 16.453 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.307 29.403 16.255 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.783 30.583 17.500 1.00 0.00 H new ATOM 699 N ILE A 44 27.596 30.188 20.412 1.00 0.00 N ATOM 700 CA ILE A 44 26.192 30.167 20.924 1.00 0.00 C ATOM 701 C ILE A 44 25.218 30.318 19.749 1.00 0.00 C ATOM 702 O ILE A 44 25.301 31.256 18.980 1.00 0.00 O ATOM 703 CB ILE A 44 25.992 31.345 21.883 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.095 31.344 22.951 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.622 31.232 22.554 1.00 0.00 C ATOM 706 CD1 ILE A 44 27.178 29.973 23.631 1.00 0.00 C ATOM 0 H ILE A 44 27.891 31.082 20.020 1.00 0.00 H new ATOM 0 HA ILE A 44 26.006 29.225 21.440 1.00 0.00 H new ATOM 0 HB ILE A 44 26.044 32.277 21.321 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.054 31.589 22.493 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.891 32.114 23.695 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.481 32.070 23.236 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.842 31.248 21.793 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.566 30.297 23.112 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.964 29.988 24.386 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.224 29.744 24.106 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.405 29.210 22.886 1.00 0.00 H new ATOM 718 N PHE A 45 24.285 29.408 19.614 1.00 0.00 N ATOM 719 CA PHE A 45 23.280 29.493 18.504 1.00 0.00 C ATOM 720 C PHE A 45 21.894 29.232 19.092 1.00 0.00 C ATOM 721 O PHE A 45 21.710 28.327 19.880 1.00 0.00 O ATOM 722 CB PHE A 45 23.588 28.442 17.432 1.00 0.00 C ATOM 723 CG PHE A 45 22.471 28.427 16.411 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.434 29.390 15.394 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.468 27.451 16.485 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.397 29.377 14.453 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.432 27.439 15.544 1.00 0.00 C ATOM 728 CZ PHE A 45 20.396 28.402 14.528 1.00 0.00 C ATOM 0 H PHE A 45 24.174 28.602 20.230 1.00 0.00 H new ATOM 0 HA PHE A 45 23.319 30.480 18.044 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.537 28.669 16.946 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.691 27.458 17.890 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.206 30.143 15.336 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.494 26.708 17.268 1.00 0.00 H new ATOM 0 HE1 PHE A 45 21.370 30.120 13.669 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.660 26.686 15.602 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.596 28.392 13.803 1.00 0.00 H new ATOM 738 N ALA A 46 20.921 30.023 18.729 1.00 0.00 N ATOM 739 CA ALA A 46 19.550 29.827 19.283 1.00 0.00 C ATOM 740 C ALA A 46 19.582 29.969 20.810 1.00 0.00 C ATOM 741 O ALA A 46 18.551 30.017 21.454 1.00 0.00 O ATOM 742 CB ALA A 46 19.033 28.435 18.902 1.00 0.00 C ATOM 0 H ALA A 46 21.016 30.797 18.072 1.00 0.00 H new ATOM 0 HA ALA A 46 18.884 30.583 18.868 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.031 28.295 19.308 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.000 28.344 17.816 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.699 27.675 19.310 1.00 0.00 H new ATOM 748 N GLY A 47 20.757 30.039 21.396 1.00 0.00 N ATOM 749 CA GLY A 47 20.870 30.181 22.880 1.00 0.00 C ATOM 750 C GLY A 47 21.459 28.902 23.485 1.00 0.00 C ATOM 751 O GLY A 47 21.340 28.671 24.672 1.00 0.00 O ATOM 0 H GLY A 47 21.649 30.003 20.902 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.503 31.034 23.125 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.888 30.378 23.311 1.00 0.00 H new ATOM 755 N LYS A 48 22.105 28.073 22.689 1.00 0.00 N ATOM 756 CA LYS A 48 22.716 26.810 23.232 1.00 0.00 C ATOM 757 C LYS A 48 24.216 26.816 22.971 1.00 0.00 C ATOM 758 O LYS A 48 24.697 27.381 22.011 1.00 0.00 O ATOM 759 CB LYS A 48 22.119 25.557 22.545 1.00 0.00 C ATOM 760 CG LYS A 48 20.793 25.154 23.209 1.00 0.00 C ATOM 761 CD LYS A 48 19.638 25.984 22.639 1.00 0.00 C ATOM 762 CE LYS A 48 18.343 25.628 23.372 1.00 0.00 C ATOM 763 NZ LYS A 48 17.971 24.218 23.067 1.00 0.00 N ATOM 0 H LYS A 48 22.235 28.217 21.688 1.00 0.00 H new ATOM 0 HA LYS A 48 22.504 26.772 24.301 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.955 25.760 21.487 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.827 24.731 22.605 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.604 24.093 23.044 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.859 25.302 24.287 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.851 27.047 22.750 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.529 25.791 21.572 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.474 25.757 24.446 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.542 26.301 23.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.973 24.061 23.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.109 24.034 22.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.570 23.573 23.621 1.00 0.00 H new ATOM 777 N GLN A 49 24.944 26.144 23.812 1.00 0.00 N ATOM 778 CA GLN A 49 26.414 26.046 23.627 1.00 0.00 C ATOM 779 C GLN A 49 26.703 24.804 22.797 1.00 0.00 C ATOM 780 O GLN A 49 26.515 23.689 23.239 1.00 0.00 O ATOM 781 CB GLN A 49 27.106 25.928 24.972 1.00 0.00 C ATOM 782 CG GLN A 49 26.560 26.996 25.913 1.00 0.00 C ATOM 783 CD GLN A 49 27.417 27.056 27.179 1.00 0.00 C ATOM 784 OE1 GLN A 49 27.617 28.115 27.741 1.00 0.00 O ATOM 785 NE2 GLN A 49 27.934 25.957 27.654 1.00 0.00 N ATOM 0 H GLN A 49 24.580 25.653 24.628 1.00 0.00 H new ATOM 0 HA GLN A 49 26.785 26.939 23.125 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.941 24.936 25.393 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.183 26.048 24.852 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.560 27.966 25.416 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.526 26.771 26.173 1.00 0.00 H new ATOM 0 HE21 GLN A 49 27.766 25.069 27.182 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.507 25.986 28.498 1.00 0.00 H new ATOM 794 N LEU A 50 27.139 24.988 21.594 1.00 0.00 N ATOM 795 CA LEU A 50 27.419 23.813 20.720 1.00 0.00 C ATOM 796 C LEU A 50 28.401 22.869 21.420 1.00 0.00 C ATOM 797 O LEU A 50 29.570 23.168 21.557 1.00 0.00 O ATOM 798 CB LEU A 50 28.024 24.298 19.399 1.00 0.00 C ATOM 799 CG LEU A 50 27.171 25.436 18.824 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.719 25.839 17.452 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.714 24.973 18.681 1.00 0.00 C ATOM 0 H LEU A 50 27.316 25.899 21.170 1.00 0.00 H new ATOM 0 HA LEU A 50 26.490 23.278 20.522 1.00 0.00 H new ATOM 0 HB2 LEU A 50 29.045 24.643 19.561 1.00 0.00 H new ATOM 0 HB3 LEU A 50 28.075 23.474 18.687 1.00 0.00 H new ATOM 0 HG LEU A 50 27.209 26.292 19.498 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.114 26.648 17.042 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.751 26.175 17.557 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.683 24.982 16.780 1.00 0.00 H new ATOM 0 HD21 LEU A 50 25.113 25.785 18.272 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.669 24.115 18.010 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.325 24.690 19.659 1.00 0.00 H new ATOM 813 N GLU A 51 27.939 21.722 21.860 1.00 0.00 N ATOM 814 CA GLU A 51 28.856 20.763 22.543 1.00 0.00 C ATOM 815 C GLU A 51 29.620 19.950 21.492 1.00 0.00 C ATOM 816 O GLU A 51 29.143 19.704 20.395 1.00 0.00 O ATOM 817 CB GLU A 51 28.049 19.818 23.441 1.00 0.00 C ATOM 818 CG GLU A 51 27.286 20.631 24.490 1.00 0.00 C ATOM 819 CD GLU A 51 26.406 19.695 25.321 1.00 0.00 C ATOM 820 OE1 GLU A 51 26.949 18.788 25.930 1.00 0.00 O ATOM 821 OE2 GLU A 51 25.203 19.902 25.334 1.00 0.00 O ATOM 0 H GLU A 51 26.971 21.412 21.775 1.00 0.00 H new ATOM 0 HA GLU A 51 29.564 21.319 23.158 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.351 19.236 22.839 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.716 19.108 23.931 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.987 21.158 25.137 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.671 21.388 24.002 1.00 0.00 H new ATOM 828 N ASP A 52 30.808 19.536 21.821 1.00 0.00 N ATOM 829 CA ASP A 52 31.628 18.751 20.857 1.00 0.00 C ATOM 830 C ASP A 52 30.964 17.405 20.548 1.00 0.00 C ATOM 831 O ASP A 52 30.496 16.712 21.431 1.00 0.00 O ATOM 832 CB ASP A 52 33.007 18.493 21.475 1.00 0.00 C ATOM 833 CG ASP A 52 33.747 19.820 21.655 1.00 0.00 C ATOM 834 OD1 ASP A 52 33.392 20.771 20.979 1.00 0.00 O ATOM 835 OD2 ASP A 52 34.658 19.862 22.466 1.00 0.00 O ATOM 0 H ASP A 52 31.251 19.708 22.723 1.00 0.00 H new ATOM 0 HA ASP A 52 31.720 19.318 19.931 1.00 0.00 H new ATOM 0 HB2 ASP A 52 32.897 17.993 22.437 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.585 17.827 20.834 1.00 0.00 H new ATOM 840 N GLY A 53 30.962 17.013 19.298 1.00 0.00 N ATOM 841 CA GLY A 53 30.381 15.688 18.915 1.00 0.00 C ATOM 842 C GLY A 53 28.937 15.811 18.408 1.00 0.00 C ATOM 843 O GLY A 53 28.398 14.871 17.860 1.00 0.00 O ATOM 0 H GLY A 53 31.340 17.557 18.522 1.00 0.00 H new ATOM 0 HA2 GLY A 53 30.998 15.233 18.140 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.406 15.020 19.776 1.00 0.00 H new ATOM 847 N ARG A 54 28.286 16.935 18.586 1.00 0.00 N ATOM 848 CA ARG A 54 26.867 17.042 18.098 1.00 0.00 C ATOM 849 C ARG A 54 26.863 17.430 16.611 1.00 0.00 C ATOM 850 O ARG A 54 27.902 17.633 16.014 1.00 0.00 O ATOM 851 CB ARG A 54 26.061 18.079 18.915 1.00 0.00 C ATOM 852 CG ARG A 54 26.474 18.086 20.401 1.00 0.00 C ATOM 853 CD ARG A 54 25.770 16.951 21.181 1.00 0.00 C ATOM 854 NE ARG A 54 25.390 15.815 20.274 1.00 0.00 N ATOM 855 CZ ARG A 54 25.521 14.567 20.662 1.00 0.00 C ATOM 856 NH1 ARG A 54 24.965 13.617 19.968 1.00 0.00 N ATOM 857 NH2 ARG A 54 26.235 14.249 21.706 1.00 0.00 N ATOM 0 H ARG A 54 28.662 17.769 19.038 1.00 0.00 H new ATOM 0 HA ARG A 54 26.389 16.071 18.229 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.212 19.072 18.491 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.997 17.857 18.835 1.00 0.00 H new ATOM 0 HG2 ARG A 54 27.555 17.970 20.482 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.222 19.048 20.847 1.00 0.00 H new ATOM 0 HD2 ARG A 54 26.430 16.585 21.968 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.878 17.343 21.669 1.00 0.00 H new ATOM 0 HE ARG A 54 25.025 16.016 19.343 1.00 0.00 H new ATOM 0 HH11 ARG A 54 24.432 13.844 19.129 1.00 0.00 H new ATOM 0 HH12 ARG A 54 25.063 12.646 20.263 1.00 0.00 H new ATOM 0 HH21 ARG A 54 26.707 14.977 22.242 1.00 0.00 H new ATOM 0 HH22 ARG A 54 26.321 13.272 21.987 1.00 0.00 H new ATOM 871 N THR A 55 25.693 17.526 16.008 1.00 0.00 N ATOM 872 CA THR A 55 25.601 17.887 14.546 1.00 0.00 C ATOM 873 C THR A 55 24.758 19.154 14.346 1.00 0.00 C ATOM 874 O THR A 55 23.844 19.433 15.099 1.00 0.00 O ATOM 875 CB THR A 55 24.940 16.730 13.785 1.00 0.00 C ATOM 876 OG1 THR A 55 23.817 16.269 14.522 1.00 0.00 O ATOM 877 CG2 THR A 55 25.939 15.586 13.609 1.00 0.00 C ATOM 0 H THR A 55 24.795 17.370 16.466 1.00 0.00 H new ATOM 0 HA THR A 55 26.608 18.071 14.171 1.00 0.00 H new ATOM 0 HB THR A 55 24.620 17.078 12.803 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.390 15.531 14.039 1.00 0.00 H new ATOM 0 HG21 THR A 55 25.464 14.768 13.068 1.00 0.00 H new ATOM 0 HG22 THR A 55 26.802 15.940 13.046 1.00 0.00 H new ATOM 0 HG23 THR A 55 26.264 15.233 14.588 1.00 0.00 H new ATOM 885 N LEU A 56 25.063 19.916 13.323 1.00 0.00 N ATOM 886 CA LEU A 56 24.285 21.168 13.052 1.00 0.00 C ATOM 887 C LEU A 56 22.798 20.817 12.889 1.00 0.00 C ATOM 888 O LEU A 56 21.931 21.508 13.385 1.00 0.00 O ATOM 889 CB LEU A 56 24.816 21.836 11.761 1.00 0.00 C ATOM 890 CG LEU A 56 25.891 22.882 12.097 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.123 22.192 12.687 1.00 0.00 C ATOM 892 CD2 LEU A 56 26.294 23.625 10.820 1.00 0.00 C ATOM 0 H LEU A 56 25.817 19.726 12.663 1.00 0.00 H new ATOM 0 HA LEU A 56 24.401 21.861 13.885 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.233 21.078 11.098 1.00 0.00 H new ATOM 0 HB3 LEU A 56 23.994 22.311 11.226 1.00 0.00 H new ATOM 0 HG LEU A 56 25.489 23.587 12.825 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.881 22.939 12.923 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.842 21.661 13.596 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.525 21.484 11.963 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.056 24.367 11.056 1.00 0.00 H new ATOM 0 HD22 LEU A 56 26.692 22.914 10.096 1.00 0.00 H new ATOM 0 HD23 LEU A 56 25.421 24.123 10.398 1.00 0.00 H new ATOM 904 N SER A 57 22.498 19.752 12.199 1.00 0.00 N ATOM 905 CA SER A 57 21.070 19.366 12.008 1.00 0.00 C ATOM 906 C SER A 57 20.398 19.184 13.373 1.00 0.00 C ATOM 907 O SER A 57 19.240 19.503 13.551 1.00 0.00 O ATOM 908 CB SER A 57 20.998 18.053 11.228 1.00 0.00 C ATOM 909 OG SER A 57 21.558 17.010 12.015 1.00 0.00 O ATOM 0 H SER A 57 23.178 19.132 11.759 1.00 0.00 H new ATOM 0 HA SER A 57 20.555 20.150 11.453 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.963 17.821 10.979 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.540 18.145 10.287 1.00 0.00 H new ATOM 0 HG SER A 57 21.512 16.166 11.519 1.00 0.00 H new ATOM 915 N ASP A 58 21.114 18.654 14.326 1.00 0.00 N ATOM 916 CA ASP A 58 20.519 18.431 15.676 1.00 0.00 C ATOM 917 C ASP A 58 19.931 19.742 16.199 1.00 0.00 C ATOM 918 O ASP A 58 19.098 19.754 17.082 1.00 0.00 O ATOM 919 CB ASP A 58 21.605 17.941 16.638 1.00 0.00 C ATOM 920 CG ASP A 58 20.956 17.407 17.916 1.00 0.00 C ATOM 921 OD1 ASP A 58 20.384 18.203 18.642 1.00 0.00 O ATOM 922 OD2 ASP A 58 21.043 16.213 18.147 1.00 0.00 O ATOM 0 H ASP A 58 22.087 18.365 14.229 1.00 0.00 H new ATOM 0 HA ASP A 58 19.730 17.682 15.605 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.198 17.158 16.165 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.287 18.757 16.878 1.00 0.00 H new ATOM 927 N TYR A 59 20.374 20.847 15.660 1.00 0.00 N ATOM 928 CA TYR A 59 19.867 22.177 16.116 1.00 0.00 C ATOM 929 C TYR A 59 18.838 22.722 15.116 1.00 0.00 C ATOM 930 O TYR A 59 18.443 23.868 15.189 1.00 0.00 O ATOM 931 CB TYR A 59 21.056 23.145 16.228 1.00 0.00 C ATOM 932 CG TYR A 59 21.761 22.936 17.553 1.00 0.00 C ATOM 933 CD1 TYR A 59 22.993 22.265 17.610 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.177 23.422 18.727 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.635 22.087 18.848 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.815 23.240 19.956 1.00 0.00 C ATOM 937 CZ TYR A 59 23.043 22.574 20.017 1.00 0.00 C ATOM 938 OH TYR A 59 23.675 22.401 21.232 1.00 0.00 O ATOM 0 H TYR A 59 21.071 20.886 14.917 1.00 0.00 H new ATOM 0 HA TYR A 59 19.381 22.073 17.086 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.751 22.979 15.405 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.708 24.175 16.149 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.446 21.887 16.706 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.230 23.939 18.683 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.584 21.575 18.896 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.359 23.614 20.861 1.00 0.00 H new ATOM 0 HH TYR A 59 24.609 22.144 21.081 1.00 0.00 H new ATOM 948 N ASN A 60 18.389 21.914 14.191 1.00 0.00 N ATOM 949 CA ASN A 60 17.376 22.399 13.204 1.00 0.00 C ATOM 950 C ASN A 60 17.805 23.758 12.646 1.00 0.00 C ATOM 951 O ASN A 60 17.030 24.692 12.591 1.00 0.00 O ATOM 952 CB ASN A 60 16.013 22.532 13.887 1.00 0.00 C ATOM 953 CG ASN A 60 14.937 22.797 12.832 1.00 0.00 C ATOM 954 OD1 ASN A 60 14.516 23.922 12.647 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.472 21.803 12.125 1.00 0.00 N ATOM 0 H ASN A 60 18.678 20.943 14.076 1.00 0.00 H new ATOM 0 HA ASN A 60 17.302 21.682 12.386 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.780 21.621 14.438 1.00 0.00 H new ATOM 0 HB3 ASN A 60 16.035 23.346 14.611 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.756 21.971 11.418 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.825 20.858 12.279 1.00 0.00 H new ATOM 962 N ILE A 61 19.036 23.874 12.236 1.00 0.00 N ATOM 963 CA ILE A 61 19.529 25.168 11.684 1.00 0.00 C ATOM 964 C ILE A 61 18.937 25.382 10.283 1.00 0.00 C ATOM 965 O ILE A 61 18.261 24.526 9.749 1.00 0.00 O ATOM 966 CB ILE A 61 21.064 25.117 11.642 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.592 25.095 13.082 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.629 26.344 10.916 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.069 24.698 13.089 1.00 0.00 C ATOM 0 H ILE A 61 19.727 23.124 12.259 1.00 0.00 H new ATOM 0 HA ILE A 61 19.218 26.005 12.309 1.00 0.00 H new ATOM 0 HB ILE A 61 21.377 24.222 11.104 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.468 26.077 13.539 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.014 24.390 13.680 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.717 26.287 10.898 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.250 26.369 9.894 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.322 27.250 11.439 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.437 24.684 14.115 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.181 23.707 12.650 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.642 25.420 12.507 1.00 0.00 H new ATOM 981 N GLN A 62 19.186 26.519 9.680 1.00 0.00 N ATOM 982 CA GLN A 62 18.640 26.791 8.314 1.00 0.00 C ATOM 983 C GLN A 62 19.652 27.617 7.516 1.00 0.00 C ATOM 984 O GLN A 62 20.389 28.414 8.062 1.00 0.00 O ATOM 985 CB GLN A 62 17.322 27.564 8.433 1.00 0.00 C ATOM 986 CG GLN A 62 16.634 27.623 7.067 1.00 0.00 C ATOM 987 CD GLN A 62 16.158 26.224 6.668 1.00 0.00 C ATOM 988 OE1 GLN A 62 16.488 25.740 5.602 1.00 0.00 O ATOM 989 NE2 GLN A 62 15.395 25.549 7.482 1.00 0.00 N ATOM 0 H GLN A 62 19.746 27.273 10.077 1.00 0.00 H new ATOM 0 HA GLN A 62 18.458 25.847 7.800 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.669 27.080 9.159 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.513 28.573 8.799 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.787 28.309 7.105 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.325 28.010 6.318 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.118 25.955 8.376 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.075 24.615 7.225 1.00 0.00 H new ATOM 998 N LYS A 63 19.704 27.418 6.226 1.00 0.00 N ATOM 999 CA LYS A 63 20.681 28.169 5.385 1.00 0.00 C ATOM 1000 C LYS A 63 20.516 29.682 5.576 1.00 0.00 C ATOM 1001 O LYS A 63 19.437 30.180 5.825 1.00 0.00 O ATOM 1002 CB LYS A 63 20.456 27.815 3.912 1.00 0.00 C ATOM 1003 CG LYS A 63 18.992 28.053 3.535 1.00 0.00 C ATOM 1004 CD LYS A 63 18.779 27.682 2.065 1.00 0.00 C ATOM 1005 CE LYS A 63 17.321 27.932 1.674 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.132 27.604 0.232 1.00 0.00 N ATOM 0 H LYS A 63 19.109 26.765 5.716 1.00 0.00 H new ATOM 0 HA LYS A 63 21.690 27.890 5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.106 28.421 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.721 26.773 3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.339 27.455 4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.728 29.098 3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.441 28.272 1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.034 26.635 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.659 27.321 2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.057 28.973 1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.141 27.773 -0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.754 28.205 -0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.368 26.604 0.069 1.00 0.00 H new ATOM 1020 N GLU A 64 21.597 30.409 5.440 1.00 0.00 N ATOM 1021 CA GLU A 64 21.553 31.895 5.586 1.00 0.00 C ATOM 1022 C GLU A 64 21.265 32.291 7.040 1.00 0.00 C ATOM 1023 O GLU A 64 20.744 33.355 7.306 1.00 0.00 O ATOM 1024 CB GLU A 64 20.473 32.477 4.660 1.00 0.00 C ATOM 1025 CG GLU A 64 20.800 33.942 4.336 1.00 0.00 C ATOM 1026 CD GLU A 64 22.013 34.002 3.405 1.00 0.00 C ATOM 1027 OE1 GLU A 64 22.152 33.108 2.586 1.00 0.00 O ATOM 1028 OE2 GLU A 64 22.784 34.940 3.526 1.00 0.00 O ATOM 0 H GLU A 64 22.520 30.029 5.231 1.00 0.00 H new ATOM 0 HA GLU A 64 22.526 32.300 5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.418 31.895 3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.496 32.410 5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 64 19.942 34.421 3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 64 21.006 34.491 5.255 1.00 0.00 H new HETATM 1035 N SEP A 65 21.624 31.460 7.985 1.00 0.00 N HETATM 1036 CA SEP A 65 21.396 31.808 9.423 1.00 0.00 C HETATM 1037 CB SEP A 65 20.983 30.552 10.194 1.00 0.00 C HETATM 1038 OG SEP A 65 19.683 30.150 9.777 1.00 0.00 O HETATM 1039 C SEP A 65 22.705 32.358 9.996 1.00 0.00 C HETATM 1040 O SEP A 65 23.780 32.014 9.530 1.00 0.00 O HETATM 1041 P SEP A 65 18.433 30.766 10.429 1.00 0.00 P HETATM 1042 O1P SEP A 65 17.465 31.093 9.240 1.00 0.00 O HETATM 1043 O2P SEP A 65 17.881 29.662 11.392 1.00 0.00 O HETATM 1044 O3P SEP A 65 18.946 32.043 11.179 1.00 0.00 O HETATM 0 HB3 SEP A 65 21.699 29.750 10.015 1.00 0.00 H new HETATM 0 HB2 SEP A 65 20.988 30.751 11.266 1.00 0.00 H new HETATM 0 HA SEP A 65 20.605 32.552 9.512 1.00 0.00 H new HETATM 0 H SEP A 65 21.496 30.499 7.666 1.00 0.00 H new HETATM 1049 N TPO A 66 22.637 33.225 10.983 1.00 0.00 N HETATM 1050 CA TPO A 66 23.891 33.806 11.564 1.00 0.00 C HETATM 1051 CB TPO A 66 23.762 35.324 11.669 1.00 0.00 C HETATM 1052 CG2 TPO A 66 23.293 35.895 10.336 1.00 0.00 C HETATM 1053 OG1 TPO A 66 22.822 35.651 12.689 1.00 0.00 O HETATM 1054 P TPO A 66 22.976 36.947 13.508 1.00 0.00 P HETATM 1055 O1P TPO A 66 22.799 38.111 12.474 1.00 0.00 O HETATM 1056 O2P TPO A 66 21.839 36.895 14.584 1.00 0.00 O HETATM 1057 O3P TPO A 66 24.416 36.877 14.122 1.00 0.00 O HETATM 1058 C TPO A 66 24.145 33.250 12.963 1.00 0.00 C HETATM 1059 O TPO A 66 23.271 33.223 13.806 1.00 0.00 O HETATM 0 HG23 TPO A 66 24.017 35.648 9.559 1.00 0.00 H new HETATM 0 HG22 TPO A 66 22.324 35.468 10.078 1.00 0.00 H new HETATM 0 HG21 TPO A 66 23.202 36.978 10.416 1.00 0.00 H new HETATM 0 HB TPO A 66 24.732 35.753 11.919 1.00 0.00 H new HETATM 0 HA TPO A 66 24.720 33.540 10.908 1.00 0.00 H new HETATM 0 H TPO A 66 21.863 33.837 10.726 1.00 0.00 H new ATOM 1066 N LEU A 67 25.348 32.812 13.211 1.00 0.00 N ATOM 1067 CA LEU A 67 25.694 32.258 14.552 1.00 0.00 C ATOM 1068 C LEU A 67 26.298 33.376 15.406 1.00 0.00 C ATOM 1069 O LEU A 67 26.822 34.347 14.897 1.00 0.00 O ATOM 1070 CB LEU A 67 26.721 31.126 14.388 1.00 0.00 C ATOM 1071 CG LEU A 67 26.007 29.823 14.012 1.00 0.00 C ATOM 1072 CD1 LEU A 67 25.090 30.064 12.810 1.00 0.00 C ATOM 1073 CD2 LEU A 67 27.051 28.761 13.656 1.00 0.00 C ATOM 0 H LEU A 67 26.113 32.814 12.537 1.00 0.00 H new ATOM 0 HA LEU A 67 24.799 31.865 15.034 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.445 31.389 13.617 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.278 30.991 15.315 1.00 0.00 H new ATOM 0 HG LEU A 67 25.408 29.480 14.855 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.584 29.135 12.546 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.348 30.821 13.064 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.683 30.407 11.963 1.00 0.00 H new ATOM 0 HD21 LEU A 67 26.548 27.832 13.388 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.649 29.107 12.813 1.00 0.00 H new ATOM 0 HD23 LEU A 67 27.701 28.587 14.514 1.00 0.00 H new ATOM 1085 N HIS A 68 26.237 33.228 16.703 1.00 0.00 N ATOM 1086 CA HIS A 68 26.817 34.260 17.617 1.00 0.00 C ATOM 1087 C HIS A 68 28.128 33.731 18.173 1.00 0.00 C ATOM 1088 O HIS A 68 28.187 32.627 18.682 1.00 0.00 O ATOM 1089 CB HIS A 68 25.866 34.518 18.782 1.00 0.00 C ATOM 1090 CG HIS A 68 24.470 34.712 18.259 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.602 33.862 17.620 1.00 0.00 N flip ATOM 1092 CD2 HIS A 68 23.804 35.926 18.363 1.00 0.00 C flip ATOM 1093 CE1 HIS A 68 22.422 34.535 17.331 1.00 0.00 C flip ATOM 1094 NE2 HIS A 68 22.593 35.773 17.797 1.00 0.00 N flip ATOM 0 H HIS A 68 25.807 32.431 17.173 1.00 0.00 H new ATOM 0 HA HIS A 68 26.975 35.186 17.065 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.891 33.680 19.478 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.184 35.401 19.336 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.188 36.828 18.816 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.549 34.139 16.833 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.893 36.512 17.732 1.00 0.00 H new ATOM 1103 N LEU A 69 29.181 34.503 18.087 1.00 0.00 N ATOM 1104 CA LEU A 69 30.499 34.035 18.618 1.00 0.00 C ATOM 1105 C LEU A 69 30.939 34.929 19.777 1.00 0.00 C ATOM 1106 O LEU A 69 31.044 36.132 19.641 1.00 0.00 O ATOM 1107 CB LEU A 69 31.549 34.089 17.497 1.00 0.00 C ATOM 1108 CG LEU A 69 32.918 33.552 18.006 1.00 0.00 C ATOM 1109 CD1 LEU A 69 33.597 32.713 16.916 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.849 34.719 18.372 1.00 0.00 C ATOM 0 H LEU A 69 29.186 35.435 17.673 1.00 0.00 H new ATOM 0 HA LEU A 69 30.400 33.010 18.976 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.212 33.496 16.647 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.662 35.115 17.146 1.00 0.00 H new ATOM 0 HG LEU A 69 32.732 32.938 18.887 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.554 32.343 17.285 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.958 31.869 16.655 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.762 33.330 16.032 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.802 34.327 18.726 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.017 35.340 17.492 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.389 35.319 19.157 1.00 0.00 H new ATOM 1122 N VAL A 70 31.209 34.338 20.915 1.00 0.00 N ATOM 1123 CA VAL A 70 31.661 35.128 22.107 1.00 0.00 C ATOM 1124 C VAL A 70 32.995 34.552 22.596 1.00 0.00 C ATOM 1125 O VAL A 70 33.230 33.362 22.516 1.00 0.00 O ATOM 1126 CB VAL A 70 30.615 35.011 23.219 1.00 0.00 C ATOM 1127 CG1 VAL A 70 30.476 33.546 23.638 1.00 0.00 C ATOM 1128 CG2 VAL A 70 31.048 35.852 24.424 1.00 0.00 C ATOM 0 H VAL A 70 31.135 33.333 21.072 1.00 0.00 H new ATOM 0 HA VAL A 70 31.784 36.177 21.839 1.00 0.00 H new ATOM 0 HB VAL A 70 29.655 35.375 22.852 1.00 0.00 H new ATOM 0 HG11 VAL A 70 29.731 33.463 24.430 1.00 0.00 H new ATOM 0 HG12 VAL A 70 30.162 32.951 22.781 1.00 0.00 H new ATOM 0 HG13 VAL A 70 31.435 33.179 24.003 1.00 0.00 H new ATOM 0 HG21 VAL A 70 30.302 35.767 25.214 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.009 35.492 24.792 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.142 36.896 24.124 1.00 0.00 H new ATOM 1138 N LEU A 71 33.874 35.382 23.103 1.00 0.00 N ATOM 1139 CA LEU A 71 35.189 34.871 23.597 1.00 0.00 C ATOM 1140 C LEU A 71 34.993 34.262 24.982 1.00 0.00 C ATOM 1141 O LEU A 71 34.088 34.631 25.702 1.00 0.00 O ATOM 1142 CB LEU A 71 36.188 36.032 23.689 1.00 0.00 C ATOM 1143 CG LEU A 71 36.760 36.339 22.306 1.00 0.00 C ATOM 1144 CD1 LEU A 71 35.614 36.552 21.317 1.00 0.00 C ATOM 1145 CD2 LEU A 71 37.609 37.608 22.389 1.00 0.00 C ATOM 0 H LEU A 71 33.737 36.389 23.196 1.00 0.00 H new ATOM 0 HA LEU A 71 35.574 34.117 22.910 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.694 36.916 24.092 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.994 35.776 24.376 1.00 0.00 H new ATOM 0 HG LEU A 71 37.376 35.506 21.967 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.021 36.771 20.330 1.00 0.00 H new ATOM 0 HD12 LEU A 71 35.005 35.650 21.266 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.998 37.387 21.649 1.00 0.00 H new ATOM 0 HD21 LEU A 71 38.021 37.835 21.406 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.989 38.440 22.723 1.00 0.00 H new ATOM 0 HD23 LEU A 71 38.423 37.455 23.098 1.00 0.00 H new ATOM 1157 N ARG A 72 35.807 33.303 25.347 1.00 0.00 N ATOM 1158 CA ARG A 72 35.616 32.652 26.682 1.00 0.00 C ATOM 1159 C ARG A 72 35.328 33.699 27.770 1.00 0.00 C ATOM 1160 O ARG A 72 34.273 33.687 28.372 1.00 0.00 O ATOM 1161 CB ARG A 72 36.827 31.794 27.084 1.00 0.00 C ATOM 1162 CG ARG A 72 38.158 32.463 26.728 1.00 0.00 C ATOM 1163 CD ARG A 72 39.315 31.583 27.246 1.00 0.00 C ATOM 1164 NE ARG A 72 40.431 32.456 27.715 1.00 0.00 N ATOM 1165 CZ ARG A 72 40.968 32.295 28.899 1.00 0.00 C ATOM 1166 NH1 ARG A 72 42.061 32.928 29.192 1.00 0.00 N ATOM 1167 NH2 ARG A 72 40.408 31.546 29.811 1.00 0.00 N ATOM 0 H ARG A 72 36.583 32.946 24.790 1.00 0.00 H new ATOM 0 HA ARG A 72 34.754 31.991 26.590 1.00 0.00 H new ATOM 0 HB2 ARG A 72 36.794 31.604 28.157 1.00 0.00 H new ATOM 0 HB3 ARG A 72 36.765 30.826 26.586 1.00 0.00 H new ATOM 0 HG2 ARG A 72 38.238 32.593 25.649 1.00 0.00 H new ATOM 0 HG3 ARG A 72 38.211 33.456 27.174 1.00 0.00 H new ATOM 0 HD2 ARG A 72 38.967 30.949 28.062 1.00 0.00 H new ATOM 0 HD3 ARG A 72 39.665 30.920 26.454 1.00 0.00 H new ATOM 0 HE ARG A 72 40.782 33.192 27.102 1.00 0.00 H new ATOM 0 HH11 ARG A 72 42.494 33.544 28.504 1.00 0.00 H new ATOM 0 HH12 ARG A 72 42.488 32.810 30.111 1.00 0.00 H new ATOM 0 HH21 ARG A 72 39.530 31.068 29.610 1.00 0.00 H new ATOM 0 HH22 ARG A 72 40.849 31.439 30.724 1.00 0.00 H new ATOM 1181 N LEU A 73 36.233 34.602 28.034 1.00 0.00 N ATOM 1182 CA LEU A 73 35.977 35.622 29.080 1.00 0.00 C ATOM 1183 C LEU A 73 35.655 34.934 30.413 1.00 0.00 C ATOM 1184 O LEU A 73 34.663 35.233 31.052 1.00 0.00 O ATOM 1185 CB LEU A 73 34.790 36.485 28.623 1.00 0.00 C ATOM 1186 CG LEU A 73 34.936 37.923 29.129 1.00 0.00 C ATOM 1187 CD1 LEU A 73 33.905 38.794 28.425 1.00 0.00 C ATOM 1188 CD2 LEU A 73 34.697 37.965 30.640 1.00 0.00 C ATOM 0 H LEU A 73 37.138 34.674 27.568 1.00 0.00 H new ATOM 0 HA LEU A 73 36.858 36.247 29.225 1.00 0.00 H new ATOM 0 HB2 LEU A 73 34.730 36.482 27.535 1.00 0.00 H new ATOM 0 HB3 LEU A 73 33.859 36.057 28.994 1.00 0.00 H new ATOM 0 HG LEU A 73 35.941 38.290 28.919 1.00 0.00 H new ATOM 0 HD11 LEU A 73 33.997 39.822 28.776 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.075 38.761 27.349 1.00 0.00 H new ATOM 0 HD13 LEU A 73 32.904 38.424 28.646 1.00 0.00 H new ATOM 0 HD21 LEU A 73 34.802 38.990 30.997 1.00 0.00 H new ATOM 0 HD22 LEU A 73 33.692 37.605 30.859 1.00 0.00 H new ATOM 0 HD23 LEU A 73 35.427 37.330 31.142 1.00 0.00 H new ATOM 1200 N ARG A 74 36.490 34.021 30.839 1.00 0.00 N ATOM 1201 CA ARG A 74 36.234 33.318 32.133 1.00 0.00 C ATOM 1202 C ARG A 74 34.782 32.834 32.161 1.00 0.00 C ATOM 1203 O ARG A 74 34.417 31.886 31.495 1.00 0.00 O ATOM 1204 CB ARG A 74 36.466 34.299 33.284 1.00 0.00 C ATOM 1205 CG ARG A 74 37.905 34.813 33.236 1.00 0.00 C ATOM 1206 CD ARG A 74 38.082 36.062 34.151 1.00 0.00 C ATOM 1207 NE ARG A 74 39.126 35.787 35.195 1.00 0.00 N ATOM 1208 CZ ARG A 74 40.310 35.411 34.812 1.00 0.00 C ATOM 1209 NH1 ARG A 74 41.248 35.154 35.685 1.00 0.00 N ATOM 1210 NH2 ARG A 74 40.538 35.275 33.539 1.00 0.00 N ATOM 0 H ARG A 74 37.336 33.732 30.348 1.00 0.00 H new ATOM 0 HA ARG A 74 36.905 32.465 32.235 1.00 0.00 H new ATOM 0 HB2 ARG A 74 35.768 35.133 33.211 1.00 0.00 H new ATOM 0 HB3 ARG A 74 36.276 33.808 34.238 1.00 0.00 H new ATOM 0 HG2 ARG A 74 38.587 34.025 33.554 1.00 0.00 H new ATOM 0 HG3 ARG A 74 38.170 35.069 32.210 1.00 0.00 H new ATOM 0 HD2 ARG A 74 38.373 36.924 33.551 1.00 0.00 H new ATOM 0 HD3 ARG A 74 37.134 36.311 34.629 1.00 0.00 H new ATOM 0 HE ARG A 74 38.910 35.893 36.186 1.00 0.00 H new ATOM 0 HH11 ARG A 74 41.056 35.247 36.682 1.00 0.00 H new ATOM 0 HH12 ARG A 74 42.172 34.860 35.369 1.00 0.00 H new ATOM 0 HH21 ARG A 74 39.796 35.462 32.865 1.00 0.00 H new ATOM 0 HH22 ARG A 74 41.459 34.981 33.214 1.00 0.00 H new ATOM 1224 N GLY A 75 33.951 33.488 32.916 1.00 0.00 N ATOM 1225 CA GLY A 75 32.518 33.095 32.986 1.00 0.00 C ATOM 1226 C GLY A 75 31.708 34.327 33.390 1.00 0.00 C ATOM 1227 O GLY A 75 30.764 34.244 34.150 1.00 0.00 O ATOM 0 H GLY A 75 34.205 34.288 33.495 1.00 0.00 H new ATOM 0 HA2 GLY A 75 32.179 32.716 32.022 1.00 0.00 H new ATOM 0 HA3 GLY A 75 32.378 32.293 33.711 1.00 0.00 H new ATOM 1231 N GLY A 76 32.088 35.477 32.885 1.00 0.00 N ATOM 1232 CA GLY A 76 31.365 36.736 33.230 1.00 0.00 C ATOM 1233 C GLY A 76 30.016 36.752 32.520 1.00 0.00 C ATOM 1234 O GLY A 76 30.011 36.936 31.314 1.00 0.00 O ATOM 1235 OXT GLY A 76 29.014 36.579 33.191 1.00 0.00 O ATOM 0 H GLY A 76 32.873 35.595 32.245 1.00 0.00 H new ATOM 0 HA2 GLY A 76 31.222 36.803 34.309 1.00 0.00 H new ATOM 0 HA3 GLY A 76 31.956 37.602 32.932 1.00 0.00 H new TER 1239 GLY A 76