USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 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 Set 1.1: A 40 SER OG : rot 180:sc= -0.0297 USER MOD Set 1.2: A 41 HIS : no HD1:sc= -0.226 X(o=-0.26,f=-0.04) USER MOD Set 2.1: A 5 ASN : amide:sc=-0.00199 X(o=-0.0022,f=-0.0082) USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc=-0.00025 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.758 K(o=-0.76,f=-1.6) USER MOD Single : A 4 MET CE :methyl -163:sc= -0.113 (180deg=-0.531) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -114:sc= 1.25 USER MOD Single : A 26 THR OG1 : rot 72:sc= 0.725 USER MOD Single : A 28 SER OG : rot 65:sc= 0.693 USER MOD Single : A 36 CYS SG : rot 86:sc= 0.478 USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= -0.0188 (180deg=-0.154) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 52 MET CE :methyl 179:sc= -0.415 (180deg=-0.417) USER MOD Single : A 59 GLN : amide:sc= -0.937 K(o=-0.94,f=-5!) USER MOD Single : A 67 THR OG1 : rot 14:sc= 0.351 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.858 K(o=-0.86,f=-0.32) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.777 1.476 -11.426 1.00 23.41 N ATOM 2 CA GLY A 1 3.213 2.894 -11.376 1.00 73.53 C ATOM 3 C GLY A 1 4.132 3.167 -10.201 1.00 72.31 C ATOM 4 O GLY A 1 3.938 4.129 -9.463 1.00 14.41 O ATOM 0 H1 GLY A 1 2.151 1.334 -12.244 1.00 23.41 H new ATOM 0 H2 GLY A 1 3.610 0.860 -11.516 1.00 23.41 H new ATOM 0 H3 GLY A 1 2.264 1.239 -10.553 1.00 23.41 H new ATOM 0 HA2 GLY A 1 3.726 3.148 -12.304 1.00 73.53 H new ATOM 0 HA3 GLY A 1 2.338 3.540 -11.309 1.00 73.53 H new ATOM 10 N SER A 2 5.138 2.321 -10.030 1.00 3.14 N ATOM 11 CA SER A 2 6.067 2.457 -8.920 1.00 5.32 C ATOM 12 C SER A 2 7.336 3.170 -9.376 1.00 72.52 C ATOM 13 O SER A 2 8.051 2.679 -10.252 1.00 22.34 O ATOM 14 CB SER A 2 6.417 1.078 -8.355 1.00 20.22 C ATOM 15 OG SER A 2 5.246 0.349 -8.011 1.00 30.24 O ATOM 0 H SER A 2 5.331 1.532 -10.647 1.00 3.14 H new ATOM 0 HA SER A 2 5.592 3.051 -8.139 1.00 5.32 H new ATOM 0 HB2 SER A 2 6.994 0.517 -9.090 1.00 20.22 H new ATOM 0 HB3 SER A 2 7.048 1.193 -7.474 1.00 20.22 H new ATOM 0 HG SER A 2 5.500 -0.528 -7.655 1.00 30.24 H new ATOM 21 N HIS A 3 7.609 4.327 -8.792 1.00 74.30 N ATOM 22 CA HIS A 3 8.802 5.085 -9.138 1.00 71.34 C ATOM 23 C HIS A 3 9.310 5.876 -7.934 1.00 55.41 C ATOM 24 O HIS A 3 8.564 6.638 -7.313 1.00 61.04 O ATOM 25 CB HIS A 3 8.542 6.003 -10.347 1.00 10.31 C ATOM 26 CG HIS A 3 7.519 7.084 -10.128 1.00 15.43 C ATOM 27 ND1 HIS A 3 7.738 8.392 -10.491 1.00 31.20 N ATOM 28 CD2 HIS A 3 6.266 7.046 -9.613 1.00 75.30 C ATOM 29 CE1 HIS A 3 6.673 9.112 -10.207 1.00 4.51 C ATOM 30 NE2 HIS A 3 5.759 8.322 -9.674 1.00 64.22 N ATOM 0 H HIS A 3 7.023 4.760 -8.079 1.00 74.30 H new ATOM 0 HA HIS A 3 9.582 4.380 -9.425 1.00 71.34 H new ATOM 0 HB2 HIS A 3 9.483 6.470 -10.636 1.00 10.31 H new ATOM 0 HB3 HIS A 3 8.221 5.387 -11.187 1.00 10.31 H new ATOM 0 HD2 HIS A 3 5.759 6.174 -9.226 1.00 75.30 H new ATOM 0 HE1 HIS A 3 6.565 10.172 -10.381 1.00 4.51 H new ATOM 0 HE2 HIS A 3 4.832 8.610 -9.360 1.00 64.22 H new ATOM 39 N MET A 4 10.588 5.688 -7.620 1.00 24.22 N ATOM 40 CA MET A 4 11.217 6.290 -6.439 1.00 74.34 C ATOM 41 C MET A 4 11.170 7.817 -6.479 1.00 53.14 C ATOM 42 O MET A 4 11.281 8.474 -5.443 1.00 34.52 O ATOM 43 CB MET A 4 12.669 5.813 -6.313 1.00 33.23 C ATOM 44 CG MET A 4 13.545 6.190 -7.500 1.00 44.04 C ATOM 45 SD MET A 4 15.227 5.553 -7.360 1.00 70.34 S ATOM 46 CE MET A 4 15.787 6.393 -5.880 1.00 13.33 C ATOM 0 H MET A 4 11.222 5.114 -8.176 1.00 24.22 H new ATOM 0 HA MET A 4 10.649 5.966 -5.567 1.00 74.34 H new ATOM 0 HB2 MET A 4 13.102 6.234 -5.406 1.00 33.23 H new ATOM 0 HB3 MET A 4 12.677 4.729 -6.197 1.00 33.23 H new ATOM 0 HG2 MET A 4 13.092 5.809 -8.415 1.00 44.04 H new ATOM 0 HG3 MET A 4 13.579 7.276 -7.590 1.00 44.04 H new ATOM 0 HE1 MET A 4 16.875 6.349 -5.826 1.00 13.33 H new ATOM 0 HE2 MET A 4 15.467 7.434 -5.909 1.00 13.33 H new ATOM 0 HE3 MET A 4 15.361 5.907 -5.002 1.00 13.33 H new ATOM 56 N ASN A 5 10.991 8.368 -7.675 1.00 22.52 N ATOM 57 CA ASN A 5 10.891 9.815 -7.862 1.00 73.11 C ATOM 58 C ASN A 5 9.806 10.416 -6.968 1.00 10.31 C ATOM 59 O ASN A 5 9.950 11.535 -6.479 1.00 10.11 O ATOM 60 CB ASN A 5 10.592 10.121 -9.334 1.00 53.32 C ATOM 61 CG ASN A 5 10.150 11.552 -9.582 1.00 53.24 C ATOM 62 OD1 ASN A 5 8.957 11.854 -9.569 1.00 40.34 O ATOM 63 ND2 ASN A 5 11.108 12.432 -9.826 1.00 4.12 N ATOM 0 H ASN A 5 10.911 7.830 -8.538 1.00 22.52 H new ATOM 0 HA ASN A 5 11.842 10.266 -7.580 1.00 73.11 H new ATOM 0 HB2 ASN A 5 11.484 9.918 -9.927 1.00 53.32 H new ATOM 0 HB3 ASN A 5 9.814 9.444 -9.686 1.00 53.32 H new ATOM 0 HD21 ASN A 5 10.870 13.406 -10.014 1.00 4.12 H new ATOM 0 HD22 ASN A 5 12.084 12.136 -9.826 1.00 4.12 H new ATOM 70 N ARG A 6 8.750 9.644 -6.721 1.00 70.34 N ATOM 71 CA ARG A 6 7.622 10.099 -5.915 1.00 45.50 C ATOM 72 C ARG A 6 8.079 10.599 -4.542 1.00 22.34 C ATOM 73 O ARG A 6 7.596 11.621 -4.054 1.00 1.32 O ATOM 74 CB ARG A 6 6.603 8.955 -5.768 1.00 34.52 C ATOM 75 CG ARG A 6 5.389 9.282 -4.904 1.00 35.22 C ATOM 76 CD ARG A 6 5.612 8.918 -3.439 1.00 55.24 C ATOM 77 NE ARG A 6 4.476 9.300 -2.600 1.00 65.22 N ATOM 78 CZ ARG A 6 4.333 8.940 -1.323 1.00 12.53 C ATOM 79 NH1 ARG A 6 5.242 8.169 -0.734 1.00 43.31 N ATOM 80 NH2 ARG A 6 3.273 9.348 -0.637 1.00 11.12 N ATOM 0 H ARG A 6 8.653 8.691 -7.072 1.00 70.34 H new ATOM 0 HA ARG A 6 7.149 10.940 -6.423 1.00 45.50 H new ATOM 0 HB2 ARG A 6 6.257 8.667 -6.761 1.00 34.52 H new ATOM 0 HB3 ARG A 6 7.110 8.089 -5.343 1.00 34.52 H new ATOM 0 HG2 ARG A 6 5.165 10.346 -4.983 1.00 35.22 H new ATOM 0 HG3 ARG A 6 4.520 8.744 -5.282 1.00 35.22 H new ATOM 0 HD2 ARG A 6 5.781 7.845 -3.354 1.00 55.24 H new ATOM 0 HD3 ARG A 6 6.513 9.412 -3.076 1.00 55.24 H new ATOM 0 HE ARG A 6 3.747 9.878 -3.018 1.00 65.22 H new ATOM 0 HH11 ARG A 6 6.056 7.848 -1.259 1.00 43.31 H new ATOM 0 HH12 ARG A 6 5.126 7.898 0.242 1.00 43.31 H new ATOM 0 HH21 ARG A 6 2.570 9.935 -1.086 1.00 11.12 H new ATOM 0 HH22 ARG A 6 3.161 9.074 0.339 1.00 11.12 H new ATOM 94 N PHE A 7 9.020 9.891 -3.932 1.00 61.03 N ATOM 95 CA PHE A 7 9.478 10.242 -2.593 1.00 54.10 C ATOM 96 C PHE A 7 10.412 11.450 -2.641 1.00 14.21 C ATOM 97 O PHE A 7 10.214 12.431 -1.915 1.00 1.24 O ATOM 98 CB PHE A 7 10.184 9.047 -1.944 1.00 72.25 C ATOM 99 CG PHE A 7 10.567 9.279 -0.508 1.00 31.43 C ATOM 100 CD1 PHE A 7 9.620 9.177 0.498 1.00 52.24 C ATOM 101 CD2 PHE A 7 11.871 9.598 -0.165 1.00 4.00 C ATOM 102 CE1 PHE A 7 9.967 9.387 1.819 1.00 13.43 C ATOM 103 CE2 PHE A 7 12.225 9.809 1.154 1.00 61.21 C ATOM 104 CZ PHE A 7 11.271 9.705 2.148 1.00 73.30 C ATOM 0 H PHE A 7 9.479 9.076 -4.339 1.00 61.03 H new ATOM 0 HA PHE A 7 8.609 10.506 -1.990 1.00 54.10 H new ATOM 0 HB2 PHE A 7 9.531 8.176 -2.001 1.00 72.25 H new ATOM 0 HB3 PHE A 7 11.081 8.811 -2.517 1.00 72.25 H new ATOM 0 HD1 PHE A 7 8.599 8.931 0.247 1.00 52.24 H new ATOM 0 HD2 PHE A 7 12.620 9.683 -0.938 1.00 4.00 H new ATOM 0 HE1 PHE A 7 9.219 9.303 2.594 1.00 13.43 H new ATOM 0 HE2 PHE A 7 13.246 10.055 1.407 1.00 61.21 H new ATOM 0 HZ PHE A 7 11.544 9.872 3.180 1.00 73.30 H new ATOM 114 N LEU A 8 11.415 11.381 -3.509 1.00 52.30 N ATOM 115 CA LEU A 8 12.408 12.441 -3.627 1.00 12.42 C ATOM 116 C LEU A 8 11.756 13.771 -3.992 1.00 4.34 C ATOM 117 O LEU A 8 12.037 14.791 -3.368 1.00 54.30 O ATOM 118 CB LEU A 8 13.484 12.075 -4.659 1.00 73.45 C ATOM 119 CG LEU A 8 14.517 11.035 -4.199 1.00 4.01 C ATOM 120 CD1 LEU A 8 13.901 9.648 -4.077 1.00 63.33 C ATOM 121 CD2 LEU A 8 15.701 11.005 -5.153 1.00 0.01 C ATOM 0 H LEU A 8 11.562 10.597 -4.145 1.00 52.30 H new ATOM 0 HA LEU A 8 12.886 12.551 -2.654 1.00 12.42 H new ATOM 0 HB2 LEU A 8 12.990 11.699 -5.555 1.00 73.45 H new ATOM 0 HB3 LEU A 8 14.013 12.984 -4.945 1.00 73.45 H new ATOM 0 HG LEU A 8 14.866 11.332 -3.210 1.00 4.01 H new ATOM 0 HD11 LEU A 8 14.662 8.939 -3.750 1.00 63.33 H new ATOM 0 HD12 LEU A 8 13.091 9.673 -3.349 1.00 63.33 H new ATOM 0 HD13 LEU A 8 13.509 9.338 -5.046 1.00 63.33 H new ATOM 0 HD21 LEU A 8 16.424 10.263 -4.813 1.00 0.01 H new ATOM 0 HD22 LEU A 8 15.356 10.743 -6.153 1.00 0.01 H new ATOM 0 HD23 LEU A 8 16.173 11.987 -5.178 1.00 0.01 H new ATOM 133 N THR A 9 10.875 13.753 -4.988 1.00 50.43 N ATOM 134 CA THR A 9 10.172 14.957 -5.412 1.00 11.00 C ATOM 135 C THR A 9 9.319 15.527 -4.279 1.00 63.12 C ATOM 136 O THR A 9 9.225 16.745 -4.117 1.00 22.31 O ATOM 137 CB THR A 9 9.296 14.669 -6.645 1.00 3.51 C ATOM 138 OG1 THR A 9 10.130 14.249 -7.730 1.00 24.21 O ATOM 139 CG2 THR A 9 8.493 15.892 -7.065 1.00 32.31 C ATOM 0 H THR A 9 10.631 12.915 -5.517 1.00 50.43 H new ATOM 0 HA THR A 9 10.921 15.701 -5.681 1.00 11.00 H new ATOM 0 HB THR A 9 8.591 13.881 -6.382 1.00 3.51 H new ATOM 0 HG1 THR A 9 9.575 14.063 -8.516 1.00 24.21 H new ATOM 0 HG21 THR A 9 7.888 15.648 -7.938 1.00 32.31 H new ATOM 0 HG22 THR A 9 7.842 16.198 -6.246 1.00 32.31 H new ATOM 0 HG23 THR A 9 9.174 16.707 -7.312 1.00 32.31 H new ATOM 147 N SER A 10 8.723 14.647 -3.480 1.00 65.42 N ATOM 148 CA SER A 10 7.954 15.071 -2.320 1.00 14.20 C ATOM 149 C SER A 10 8.858 15.827 -1.343 1.00 60.34 C ATOM 150 O SER A 10 8.500 16.903 -0.850 1.00 33.45 O ATOM 151 CB SER A 10 7.317 13.854 -1.635 1.00 14.00 C ATOM 152 OG SER A 10 6.539 14.233 -0.512 1.00 11.13 O ATOM 0 H SER A 10 8.759 13.637 -3.616 1.00 65.42 H new ATOM 0 HA SER A 10 7.157 15.739 -2.645 1.00 14.20 H new ATOM 0 HB2 SER A 10 6.690 13.321 -2.349 1.00 14.00 H new ATOM 0 HB3 SER A 10 8.099 13.163 -1.320 1.00 14.00 H new ATOM 0 HG SER A 10 6.147 13.434 -0.101 1.00 11.13 H new ATOM 158 N ILE A 11 10.041 15.268 -1.093 1.00 41.21 N ATOM 159 CA ILE A 11 11.021 15.901 -0.214 1.00 43.24 C ATOM 160 C ILE A 11 11.494 17.237 -0.792 1.00 34.21 C ATOM 161 O ILE A 11 11.549 18.240 -0.082 1.00 51.11 O ATOM 162 CB ILE A 11 12.240 14.979 0.029 1.00 63.44 C ATOM 163 CG1 ILE A 11 11.797 13.663 0.679 1.00 0.25 C ATOM 164 CG2 ILE A 11 13.285 15.674 0.895 1.00 53.04 C ATOM 165 CD1 ILE A 11 11.105 13.837 2.017 1.00 53.14 C ATOM 0 H ILE A 11 10.344 14.377 -1.487 1.00 41.21 H new ATOM 0 HA ILE A 11 10.527 16.082 0.740 1.00 43.24 H new ATOM 0 HB ILE A 11 12.693 14.755 -0.937 1.00 63.44 H new ATOM 0 HG12 ILE A 11 11.123 13.142 -0.002 1.00 0.25 H new ATOM 0 HG13 ILE A 11 12.670 13.024 0.814 1.00 0.25 H new ATOM 0 HG21 ILE A 11 14.131 15.005 1.051 1.00 53.04 H new ATOM 0 HG22 ILE A 11 13.626 16.581 0.396 1.00 53.04 H new ATOM 0 HG23 ILE A 11 12.845 15.933 1.858 1.00 53.04 H new ATOM 0 HD11 ILE A 11 10.823 12.860 2.411 1.00 53.14 H new ATOM 0 HD12 ILE A 11 11.782 14.328 2.716 1.00 53.14 H new ATOM 0 HD13 ILE A 11 10.212 14.448 1.888 1.00 53.14 H new ATOM 177 N VAL A 12 11.825 17.243 -2.080 1.00 21.55 N ATOM 178 CA VAL A 12 12.254 18.462 -2.768 1.00 14.34 C ATOM 179 C VAL A 12 11.194 19.554 -2.652 1.00 13.44 C ATOM 180 O VAL A 12 11.506 20.704 -2.330 1.00 43.23 O ATOM 181 CB VAL A 12 12.550 18.200 -4.265 1.00 35.21 C ATOM 182 CG1 VAL A 12 12.895 19.493 -4.990 1.00 52.52 C ATOM 183 CG2 VAL A 12 13.677 17.191 -4.424 1.00 24.24 C ATOM 0 H VAL A 12 11.805 16.414 -2.673 1.00 21.55 H new ATOM 0 HA VAL A 12 13.172 18.792 -2.283 1.00 14.34 H new ATOM 0 HB VAL A 12 11.647 17.787 -4.714 1.00 35.21 H new ATOM 0 HG11 VAL A 12 13.098 19.279 -6.039 1.00 52.52 H new ATOM 0 HG12 VAL A 12 12.057 20.186 -4.917 1.00 52.52 H new ATOM 0 HG13 VAL A 12 13.777 19.942 -4.534 1.00 52.52 H new ATOM 0 HG21 VAL A 12 13.868 17.022 -5.484 1.00 24.24 H new ATOM 0 HG22 VAL A 12 14.580 17.576 -3.950 1.00 24.24 H new ATOM 0 HG23 VAL A 12 13.392 16.250 -3.952 1.00 24.24 H new ATOM 193 N ALA A 13 9.943 19.184 -2.905 1.00 44.22 N ATOM 194 CA ALA A 13 8.829 20.118 -2.796 1.00 63.42 C ATOM 195 C ALA A 13 8.725 20.667 -1.378 1.00 5.15 C ATOM 196 O ALA A 13 8.516 21.861 -1.181 1.00 60.31 O ATOM 197 CB ALA A 13 7.529 19.445 -3.204 1.00 50.45 C ATOM 0 H ALA A 13 9.675 18.241 -3.188 1.00 44.22 H new ATOM 0 HA ALA A 13 9.013 20.952 -3.473 1.00 63.42 H new ATOM 0 HB1 ALA A 13 6.708 20.157 -3.117 1.00 50.45 H new ATOM 0 HB2 ALA A 13 7.605 19.103 -4.236 1.00 50.45 H new ATOM 0 HB3 ALA A 13 7.341 18.592 -2.552 1.00 50.45 H new ATOM 203 N TRP A 14 8.886 19.786 -0.398 1.00 34.42 N ATOM 204 CA TRP A 14 8.894 20.176 1.008 1.00 42.25 C ATOM 205 C TRP A 14 10.017 21.180 1.290 1.00 70.10 C ATOM 206 O TRP A 14 9.781 22.258 1.847 1.00 3.04 O ATOM 207 CB TRP A 14 9.050 18.918 1.877 1.00 32.24 C ATOM 208 CG TRP A 14 9.330 19.184 3.324 1.00 61.43 C ATOM 209 CD1 TRP A 14 8.627 19.996 4.167 1.00 2.33 C ATOM 210 CD2 TRP A 14 10.389 18.614 4.099 1.00 1.21 C ATOM 211 NE1 TRP A 14 9.190 19.970 5.419 1.00 52.34 N ATOM 212 CE2 TRP A 14 10.273 19.128 5.403 1.00 5.51 C ATOM 213 CE3 TRP A 14 11.422 17.717 3.814 1.00 11.11 C ATOM 214 CZ2 TRP A 14 11.159 18.777 6.419 1.00 42.32 C ATOM 215 CZ3 TRP A 14 12.298 17.369 4.824 1.00 1.43 C ATOM 216 CH2 TRP A 14 12.162 17.897 6.112 1.00 73.14 C ATOM 0 H TRP A 14 9.014 18.786 -0.553 1.00 34.42 H new ATOM 0 HA TRP A 14 7.951 20.666 1.252 1.00 42.25 H new ATOM 0 HB2 TRP A 14 8.138 18.326 1.801 1.00 32.24 H new ATOM 0 HB3 TRP A 14 9.859 18.311 1.471 1.00 32.24 H new ATOM 0 HD1 TRP A 14 7.757 20.573 3.890 1.00 2.33 H new ATOM 0 HE1 TRP A 14 8.857 20.492 6.230 1.00 52.34 H new ATOM 0 HE3 TRP A 14 11.533 17.303 2.823 1.00 11.11 H new ATOM 0 HZ2 TRP A 14 11.058 19.185 7.414 1.00 42.32 H new ATOM 0 HZ3 TRP A 14 13.101 16.678 4.616 1.00 1.43 H new ATOM 0 HH2 TRP A 14 12.863 17.605 6.880 1.00 73.14 H new ATOM 227 N LEU A 15 11.227 20.830 0.868 1.00 2.10 N ATOM 228 CA LEU A 15 12.402 21.663 1.108 1.00 34.45 C ATOM 229 C LEU A 15 12.232 23.054 0.511 1.00 0.13 C ATOM 230 O LEU A 15 12.481 24.056 1.179 1.00 34.54 O ATOM 231 CB LEU A 15 13.659 21.005 0.533 1.00 11.03 C ATOM 232 CG LEU A 15 14.012 19.641 1.126 1.00 31.04 C ATOM 233 CD1 LEU A 15 15.364 19.176 0.614 1.00 61.44 C ATOM 234 CD2 LEU A 15 14.006 19.704 2.647 1.00 64.45 C ATOM 0 H LEU A 15 11.421 19.970 0.355 1.00 2.10 H new ATOM 0 HA LEU A 15 12.512 21.764 2.188 1.00 34.45 H new ATOM 0 HB2 LEU A 15 13.530 20.892 -0.543 1.00 11.03 H new ATOM 0 HB3 LEU A 15 14.503 21.678 0.684 1.00 11.03 H new ATOM 0 HG LEU A 15 13.258 18.919 0.811 1.00 31.04 H new ATOM 0 HD11 LEU A 15 15.601 18.203 1.045 1.00 61.44 H new ATOM 0 HD12 LEU A 15 15.333 19.094 -0.472 1.00 61.44 H new ATOM 0 HD13 LEU A 15 16.129 19.897 0.901 1.00 61.44 H new ATOM 0 HD21 LEU A 15 14.259 18.725 3.053 1.00 64.45 H new ATOM 0 HD22 LEU A 15 14.739 20.437 2.984 1.00 64.45 H new ATOM 0 HD23 LEU A 15 13.015 19.996 2.995 1.00 64.45 H new ATOM 246 N ARG A 16 11.797 23.113 -0.744 1.00 2.41 N ATOM 247 CA ARG A 16 11.625 24.395 -1.413 1.00 31.15 C ATOM 248 C ARG A 16 10.467 25.171 -0.793 1.00 5.31 C ATOM 249 O ARG A 16 10.548 26.382 -0.634 1.00 11.03 O ATOM 250 CB ARG A 16 11.421 24.217 -2.926 1.00 12.41 C ATOM 251 CG ARG A 16 10.110 23.553 -3.319 1.00 75.42 C ATOM 252 CD ARG A 16 10.004 23.381 -4.826 1.00 13.34 C ATOM 253 NE ARG A 16 10.192 24.647 -5.536 1.00 41.44 N ATOM 254 CZ ARG A 16 10.484 24.744 -6.833 1.00 71.15 C ATOM 255 NH1 ARG A 16 10.545 23.656 -7.596 1.00 44.40 N ATOM 256 NH2 ARG A 16 10.692 25.938 -7.369 1.00 61.31 N ATOM 0 H ARG A 16 11.560 22.299 -1.311 1.00 2.41 H new ATOM 0 HA ARG A 16 12.540 24.971 -1.273 1.00 31.15 H new ATOM 0 HB2 ARG A 16 11.474 25.196 -3.403 1.00 12.41 H new ATOM 0 HB3 ARG A 16 12.245 23.624 -3.322 1.00 12.41 H new ATOM 0 HG2 ARG A 16 10.034 22.580 -2.834 1.00 75.42 H new ATOM 0 HG3 ARG A 16 9.274 24.154 -2.960 1.00 75.42 H new ATOM 0 HD2 ARG A 16 10.751 22.662 -5.162 1.00 13.34 H new ATOM 0 HD3 ARG A 16 9.027 22.966 -5.076 1.00 13.34 H new ATOM 0 HE ARG A 16 10.093 25.511 -5.004 1.00 41.44 H new ATOM 0 HH11 ARG A 16 10.368 22.737 -7.190 1.00 44.40 H new ATOM 0 HH12 ARG A 16 10.769 23.740 -8.587 1.00 44.40 H new ATOM 0 HH21 ARG A 16 10.628 26.775 -6.790 1.00 61.31 H new ATOM 0 HH22 ARG A 16 10.916 26.020 -8.361 1.00 61.31 H new ATOM 270 N ALA A 17 9.407 24.464 -0.405 1.00 2.12 N ATOM 271 CA ALA A 17 8.261 25.102 0.234 1.00 33.54 C ATOM 272 C ALA A 17 8.666 25.712 1.568 1.00 24.54 C ATOM 273 O ALA A 17 8.074 26.691 2.023 1.00 1.33 O ATOM 274 CB ALA A 17 7.129 24.107 0.424 1.00 34.13 C ATOM 0 H ALA A 17 9.319 23.455 -0.522 1.00 2.12 H new ATOM 0 HA ALA A 17 7.907 25.901 -0.417 1.00 33.54 H new ATOM 0 HB1 ALA A 17 6.285 24.604 0.902 1.00 34.13 H new ATOM 0 HB2 ALA A 17 6.820 23.718 -0.546 1.00 34.13 H new ATOM 0 HB3 ALA A 17 7.469 23.284 1.053 1.00 34.13 H new ATOM 280 N GLY A 18 9.670 25.114 2.199 1.00 51.14 N ATOM 281 CA GLY A 18 10.227 25.678 3.411 1.00 30.22 C ATOM 282 C GLY A 18 10.863 27.038 3.185 1.00 44.24 C ATOM 283 O GLY A 18 10.752 27.927 4.032 1.00 11.14 O ATOM 0 H GLY A 18 10.108 24.246 1.891 1.00 51.14 H new ATOM 0 HA2 GLY A 18 9.440 25.769 4.160 1.00 30.22 H new ATOM 0 HA3 GLY A 18 10.974 24.995 3.815 1.00 30.22 H new ATOM 287 N TYR A 19 11.512 27.212 2.038 1.00 34.05 N ATOM 288 CA TYR A 19 12.194 28.465 1.720 1.00 45.12 C ATOM 289 C TYR A 19 12.073 28.772 0.231 1.00 10.22 C ATOM 290 O TYR A 19 13.020 28.579 -0.533 1.00 41.13 O ATOM 291 CB TYR A 19 13.674 28.414 2.129 1.00 74.13 C ATOM 292 CG TYR A 19 13.918 28.612 3.611 1.00 10.41 C ATOM 293 CD1 TYR A 19 14.031 29.888 4.145 1.00 25.43 C ATOM 294 CD2 TYR A 19 14.028 27.529 4.476 1.00 61.34 C ATOM 295 CE1 TYR A 19 14.244 30.082 5.496 1.00 22.44 C ATOM 296 CE2 TYR A 19 14.237 27.716 5.831 1.00 73.24 C ATOM 297 CZ TYR A 19 14.347 28.995 6.335 1.00 34.14 C ATOM 298 OH TYR A 19 14.536 29.192 7.684 1.00 52.11 O ATOM 0 H TYR A 19 11.581 26.500 1.311 1.00 34.05 H new ATOM 0 HA TYR A 19 11.712 29.260 2.288 1.00 45.12 H new ATOM 0 HB2 TYR A 19 14.089 27.451 1.830 1.00 74.13 H new ATOM 0 HB3 TYR A 19 14.218 29.181 1.577 1.00 74.13 H new ATOM 0 HD1 TYR A 19 13.951 30.745 3.492 1.00 25.43 H new ATOM 0 HD2 TYR A 19 13.949 26.526 4.084 1.00 61.34 H new ATOM 0 HE1 TYR A 19 14.329 31.083 5.893 1.00 22.44 H new ATOM 0 HE2 TYR A 19 14.314 26.864 6.491 1.00 73.24 H new ATOM 0 HH TYR A 19 15.421 28.861 7.942 1.00 52.11 H new ATOM 308 N PRO A 20 10.886 29.237 -0.204 1.00 2.25 N ATOM 309 CA PRO A 20 10.619 29.534 -1.616 1.00 33.00 C ATOM 310 C PRO A 20 11.420 30.729 -2.123 1.00 63.40 C ATOM 311 O PRO A 20 11.600 30.903 -3.328 1.00 22.41 O ATOM 312 CB PRO A 20 9.120 29.845 -1.641 1.00 62.04 C ATOM 313 CG PRO A 20 8.796 30.278 -0.254 1.00 43.04 C ATOM 314 CD PRO A 20 9.708 29.494 0.644 1.00 11.52 C ATOM 0 HA PRO A 20 10.906 28.706 -2.264 1.00 33.00 H new ATOM 0 HB2 PRO A 20 8.891 30.629 -2.363 1.00 62.04 H new ATOM 0 HB3 PRO A 20 8.539 28.968 -1.927 1.00 62.04 H new ATOM 0 HG2 PRO A 20 8.954 31.350 -0.132 1.00 43.04 H new ATOM 0 HG3 PRO A 20 7.750 30.081 -0.017 1.00 43.04 H new ATOM 0 HD2 PRO A 20 9.972 30.058 1.539 1.00 11.52 H new ATOM 0 HD3 PRO A 20 9.243 28.566 0.978 1.00 11.52 H new ATOM 322 N GLU A 21 11.906 31.544 -1.197 1.00 2.11 N ATOM 323 CA GLU A 21 12.702 32.710 -1.543 1.00 73.24 C ATOM 324 C GLU A 21 14.183 32.359 -1.611 1.00 20.44 C ATOM 325 O GLU A 21 15.022 33.204 -1.936 1.00 40.30 O ATOM 326 CB GLU A 21 12.470 33.825 -0.559 1.00 43.24 C ATOM 327 CG GLU A 21 13.018 33.545 0.798 1.00 22.23 C ATOM 328 CD GLU A 21 12.026 32.863 1.719 1.00 20.12 C ATOM 329 OE1 GLU A 21 11.752 31.666 1.517 1.00 51.00 O ATOM 330 OE2 GLU A 21 11.504 33.522 2.646 1.00 52.40 O ATOM 0 H GLU A 21 11.761 31.417 -0.195 1.00 2.11 H new ATOM 0 HA GLU A 21 12.387 33.050 -2.530 1.00 73.24 H new ATOM 0 HB2 GLU A 21 12.924 34.738 -0.944 1.00 43.24 H new ATOM 0 HB3 GLU A 21 11.399 34.010 -0.478 1.00 43.24 H new ATOM 0 HG2 GLU A 21 13.904 32.917 0.702 1.00 22.23 H new ATOM 0 HG3 GLU A 21 13.339 34.482 1.252 1.00 22.23 H new ATOM 337 N GLY A 22 14.495 31.105 -1.311 1.00 34.52 N ATOM 338 CA GLY A 22 15.871 30.657 -1.310 1.00 33.44 C ATOM 339 C GLY A 22 16.330 30.266 0.077 1.00 53.53 C ATOM 340 O GLY A 22 16.087 30.993 1.040 1.00 11.30 O ATOM 0 H GLY A 22 13.813 30.387 -1.067 1.00 34.52 H new ATOM 0 HA2 GLY A 22 15.977 29.806 -1.982 1.00 33.44 H new ATOM 0 HA3 GLY A 22 16.512 31.450 -1.696 1.00 33.44 H new ATOM 344 N ILE A 23 16.988 29.121 0.183 1.00 21.02 N ATOM 345 CA ILE A 23 17.453 28.627 1.471 1.00 2.44 C ATOM 346 C ILE A 23 18.793 29.272 1.828 1.00 35.10 C ATOM 347 O ILE A 23 19.790 29.048 1.146 1.00 4.14 O ATOM 348 CB ILE A 23 17.614 27.080 1.489 1.00 73.03 C ATOM 349 CG1 ILE A 23 16.306 26.363 1.118 1.00 44.05 C ATOM 350 CG2 ILE A 23 18.080 26.613 2.859 1.00 11.14 C ATOM 351 CD1 ILE A 23 16.022 26.303 -0.371 1.00 33.31 C ATOM 0 H ILE A 23 17.212 28.516 -0.607 1.00 21.02 H new ATOM 0 HA ILE A 23 16.694 28.895 2.206 1.00 2.44 H new ATOM 0 HB ILE A 23 18.363 26.825 0.740 1.00 73.03 H new ATOM 0 HG12 ILE A 23 16.340 25.346 1.510 1.00 44.05 H new ATOM 0 HG13 ILE A 23 15.477 26.868 1.613 1.00 44.05 H new ATOM 0 HG21 ILE A 23 18.188 25.528 2.856 1.00 11.14 H new ATOM 0 HG22 ILE A 23 19.040 27.073 3.093 1.00 11.14 H new ATOM 0 HG23 ILE A 23 17.346 26.903 3.611 1.00 11.14 H new ATOM 0 HD11 ILE A 23 15.081 25.780 -0.541 1.00 33.31 H new ATOM 0 HD12 ILE A 23 15.952 27.315 -0.769 1.00 33.31 H new ATOM 0 HD13 ILE A 23 16.829 25.770 -0.874 1.00 33.31 H new ATOM 363 N PRO A 24 18.823 30.099 2.888 1.00 3.32 N ATOM 364 CA PRO A 24 20.045 30.784 3.334 1.00 71.45 C ATOM 365 C PRO A 24 21.125 29.808 3.804 1.00 31.25 C ATOM 366 O PRO A 24 20.816 28.698 4.238 1.00 10.15 O ATOM 367 CB PRO A 24 19.570 31.659 4.503 1.00 34.22 C ATOM 368 CG PRO A 24 18.088 31.737 4.361 1.00 32.44 C ATOM 369 CD PRO A 24 17.666 30.444 3.728 1.00 74.45 C ATOM 0 HA PRO A 24 20.505 31.350 2.524 1.00 71.45 H new ATOM 0 HB2 PRO A 24 19.851 31.221 5.461 1.00 34.22 H new ATOM 0 HB3 PRO A 24 20.022 32.650 4.461 1.00 34.22 H new ATOM 0 HG2 PRO A 24 17.609 31.871 5.331 1.00 32.44 H new ATOM 0 HG3 PRO A 24 17.799 32.587 3.743 1.00 32.44 H new ATOM 0 HD2 PRO A 24 17.464 29.675 4.474 1.00 74.45 H new ATOM 0 HD3 PRO A 24 16.758 30.561 3.137 1.00 74.45 H new ATOM 377 N PRO A 25 22.408 30.213 3.728 1.00 35.02 N ATOM 378 CA PRO A 25 23.555 29.356 4.077 1.00 12.04 C ATOM 379 C PRO A 25 23.432 28.710 5.459 1.00 11.40 C ATOM 380 O PRO A 25 23.672 27.511 5.613 1.00 22.20 O ATOM 381 CB PRO A 25 24.759 30.314 4.042 1.00 2.20 C ATOM 382 CG PRO A 25 24.182 31.689 3.953 1.00 24.32 C ATOM 383 CD PRO A 25 22.850 31.542 3.281 1.00 72.20 C ATOM 0 HA PRO A 25 23.637 28.517 3.386 1.00 12.04 H new ATOM 0 HB2 PRO A 25 25.372 30.204 4.936 1.00 2.20 H new ATOM 0 HB3 PRO A 25 25.402 30.103 3.187 1.00 2.20 H new ATOM 0 HG2 PRO A 25 24.071 32.129 4.944 1.00 24.32 H new ATOM 0 HG3 PRO A 25 24.835 32.349 3.382 1.00 24.32 H new ATOM 0 HD2 PRO A 25 22.154 32.324 3.586 1.00 72.20 H new ATOM 0 HD3 PRO A 25 22.936 31.597 2.196 1.00 72.20 H new ATOM 391 N THR A 26 23.054 29.504 6.453 1.00 51.12 N ATOM 392 CA THR A 26 22.895 29.009 7.815 1.00 71.04 C ATOM 393 C THR A 26 21.834 27.917 7.875 1.00 51.20 C ATOM 394 O THR A 26 22.039 26.854 8.467 1.00 74.44 O ATOM 395 CB THR A 26 22.501 30.153 8.768 1.00 21.22 C ATOM 396 OG1 THR A 26 21.534 31.007 8.132 1.00 52.23 O ATOM 397 CG2 THR A 26 23.719 30.971 9.175 1.00 51.12 C ATOM 0 H THR A 26 22.851 30.497 6.341 1.00 51.12 H new ATOM 0 HA THR A 26 23.853 28.594 8.129 1.00 71.04 H new ATOM 0 HB THR A 26 22.067 29.714 9.666 1.00 21.22 H new ATOM 0 HG1 THR A 26 20.674 30.540 8.072 1.00 52.23 H new ATOM 0 HG21 THR A 26 23.411 31.772 9.848 1.00 51.12 H new ATOM 0 HG22 THR A 26 24.437 30.327 9.682 1.00 51.12 H new ATOM 0 HG23 THR A 26 24.182 31.401 8.287 1.00 51.12 H new ATOM 405 N ASP A 27 20.719 28.180 7.217 1.00 40.23 N ATOM 406 CA ASP A 27 19.580 27.280 7.225 1.00 64.21 C ATOM 407 C ASP A 27 19.850 26.066 6.350 1.00 23.45 C ATOM 408 O ASP A 27 19.294 24.997 6.574 1.00 13.20 O ATOM 409 CB ASP A 27 18.334 28.020 6.739 1.00 62.14 C ATOM 410 CG ASP A 27 18.068 29.274 7.548 1.00 1.21 C ATOM 411 OD1 ASP A 27 18.870 30.233 7.446 1.00 12.42 O ATOM 412 OD2 ASP A 27 17.060 29.311 8.282 1.00 22.33 O ATOM 0 H ASP A 27 20.578 29.024 6.662 1.00 40.23 H new ATOM 0 HA ASP A 27 19.413 26.933 8.245 1.00 64.21 H new ATOM 0 HB2 ASP A 27 18.456 28.285 5.689 1.00 62.14 H new ATOM 0 HB3 ASP A 27 17.471 27.357 6.802 1.00 62.14 H new ATOM 417 N SER A 28 20.720 26.232 5.363 1.00 54.23 N ATOM 418 CA SER A 28 21.115 25.132 4.496 1.00 53.34 C ATOM 419 C SER A 28 21.852 24.062 5.299 1.00 42.43 C ATOM 420 O SER A 28 21.608 22.864 5.132 1.00 42.13 O ATOM 421 CB SER A 28 21.998 25.642 3.356 1.00 4.45 C ATOM 422 OG SER A 28 21.332 26.638 2.602 1.00 12.42 O ATOM 0 H SER A 28 21.167 27.122 5.143 1.00 54.23 H new ATOM 0 HA SER A 28 20.216 24.689 4.067 1.00 53.34 H new ATOM 0 HB2 SER A 28 22.924 26.048 3.763 1.00 4.45 H new ATOM 0 HB3 SER A 28 22.273 24.812 2.705 1.00 4.45 H new ATOM 0 HG SER A 28 21.172 27.423 3.166 1.00 12.42 H new ATOM 428 N PHE A 29 22.741 24.504 6.183 1.00 42.55 N ATOM 429 CA PHE A 29 23.452 23.593 7.070 1.00 4.12 C ATOM 430 C PHE A 29 22.465 22.932 8.028 1.00 35.43 C ATOM 431 O PHE A 29 22.597 21.757 8.381 1.00 12.15 O ATOM 432 CB PHE A 29 24.541 24.333 7.858 1.00 33.34 C ATOM 433 CG PHE A 29 25.764 24.706 7.054 1.00 34.33 C ATOM 434 CD1 PHE A 29 25.690 24.935 5.688 1.00 24.54 C ATOM 435 CD2 PHE A 29 26.995 24.830 7.679 1.00 60.53 C ATOM 436 CE1 PHE A 29 26.817 25.277 4.965 1.00 25.20 C ATOM 437 CE2 PHE A 29 28.124 25.174 6.961 1.00 42.44 C ATOM 438 CZ PHE A 29 28.034 25.399 5.601 1.00 14.20 C ATOM 0 H PHE A 29 22.985 25.487 6.303 1.00 42.55 H new ATOM 0 HA PHE A 29 23.935 22.826 6.465 1.00 4.12 H new ATOM 0 HB2 PHE A 29 24.110 25.241 8.280 1.00 33.34 H new ATOM 0 HB3 PHE A 29 24.851 23.708 8.696 1.00 33.34 H new ATOM 0 HD1 PHE A 29 24.740 24.845 5.183 1.00 24.54 H new ATOM 0 HD2 PHE A 29 27.073 24.655 8.742 1.00 60.53 H new ATOM 0 HE1 PHE A 29 26.744 25.449 3.901 1.00 25.20 H new ATOM 0 HE2 PHE A 29 29.076 25.267 7.462 1.00 42.44 H new ATOM 0 HZ PHE A 29 28.915 25.670 5.038 1.00 14.20 H new ATOM 448 N ALA A 30 21.464 23.700 8.430 1.00 14.21 N ATOM 449 CA ALA A 30 20.401 23.197 9.281 1.00 35.22 C ATOM 450 C ALA A 30 19.615 22.099 8.566 1.00 13.34 C ATOM 451 O ALA A 30 19.356 21.037 9.135 1.00 31.42 O ATOM 452 CB ALA A 30 19.488 24.339 9.685 1.00 43.15 C ATOM 0 H ALA A 30 21.367 24.683 8.177 1.00 14.21 H new ATOM 0 HA ALA A 30 20.839 22.763 10.180 1.00 35.22 H new ATOM 0 HB1 ALA A 30 18.691 23.959 10.324 1.00 43.15 H new ATOM 0 HB2 ALA A 30 20.062 25.089 10.229 1.00 43.15 H new ATOM 0 HB3 ALA A 30 19.054 24.791 8.793 1.00 43.15 H new ATOM 458 N VAL A 31 19.248 22.365 7.312 1.00 22.11 N ATOM 459 CA VAL A 31 18.550 21.387 6.484 1.00 35.35 C ATOM 460 C VAL A 31 19.353 20.097 6.381 1.00 24.34 C ATOM 461 O VAL A 31 18.825 19.007 6.612 1.00 23.22 O ATOM 462 CB VAL A 31 18.283 21.930 5.058 1.00 1.31 C ATOM 463 CG1 VAL A 31 17.692 20.847 4.164 1.00 65.31 C ATOM 464 CG2 VAL A 31 17.355 23.132 5.102 1.00 4.31 C ATOM 0 H VAL A 31 19.425 23.256 6.847 1.00 22.11 H new ATOM 0 HA VAL A 31 17.593 21.188 6.967 1.00 35.35 H new ATOM 0 HB VAL A 31 19.239 22.243 4.638 1.00 1.31 H new ATOM 0 HG11 VAL A 31 17.514 21.254 3.169 1.00 65.31 H new ATOM 0 HG12 VAL A 31 18.389 20.012 4.095 1.00 65.31 H new ATOM 0 HG13 VAL A 31 16.750 20.499 4.588 1.00 65.31 H new ATOM 0 HG21 VAL A 31 17.182 23.496 4.089 1.00 4.31 H new ATOM 0 HG22 VAL A 31 16.405 22.842 5.550 1.00 4.31 H new ATOM 0 HG23 VAL A 31 17.811 23.922 5.698 1.00 4.31 H new ATOM 474 N LEU A 32 20.636 20.225 6.054 1.00 10.50 N ATOM 475 CA LEU A 32 21.485 19.058 5.877 1.00 25.41 C ATOM 476 C LEU A 32 21.573 18.267 7.180 1.00 40.04 C ATOM 477 O LEU A 32 21.538 17.039 7.163 1.00 73.03 O ATOM 478 CB LEU A 32 22.881 19.468 5.361 1.00 30.42 C ATOM 479 CG LEU A 32 23.905 19.924 6.409 1.00 42.24 C ATOM 480 CD1 LEU A 32 24.675 18.736 6.971 1.00 63.55 C ATOM 481 CD2 LEU A 32 24.864 20.937 5.811 1.00 45.32 C ATOM 0 H LEU A 32 21.105 21.119 5.908 1.00 10.50 H new ATOM 0 HA LEU A 32 21.040 18.410 5.122 1.00 25.41 H new ATOM 0 HB2 LEU A 32 23.304 18.622 4.820 1.00 30.42 H new ATOM 0 HB3 LEU A 32 22.752 20.275 4.640 1.00 30.42 H new ATOM 0 HG LEU A 32 23.362 20.397 7.227 1.00 42.24 H new ATOM 0 HD11 LEU A 32 25.394 19.086 7.711 1.00 63.55 H new ATOM 0 HD12 LEU A 32 23.979 18.041 7.441 1.00 63.55 H new ATOM 0 HD13 LEU A 32 25.203 18.230 6.163 1.00 63.55 H new ATOM 0 HD21 LEU A 32 25.583 21.249 6.569 1.00 45.32 H new ATOM 0 HD22 LEU A 32 25.394 20.485 4.972 1.00 45.32 H new ATOM 0 HD23 LEU A 32 24.305 21.805 5.462 1.00 45.32 H new ATOM 493 N ALA A 33 21.664 18.974 8.306 1.00 25.31 N ATOM 494 CA ALA A 33 21.728 18.326 9.610 1.00 12.22 C ATOM 495 C ALA A 33 20.470 17.510 9.887 1.00 4.10 C ATOM 496 O ALA A 33 20.550 16.350 10.288 1.00 40.14 O ATOM 497 CB ALA A 33 21.935 19.360 10.705 1.00 3.22 C ATOM 0 H ALA A 33 21.695 19.993 8.339 1.00 25.31 H new ATOM 0 HA ALA A 33 22.577 17.643 9.602 1.00 12.22 H new ATOM 0 HB1 ALA A 33 21.981 18.861 11.673 1.00 3.22 H new ATOM 0 HB2 ALA A 33 22.868 19.895 10.528 1.00 3.22 H new ATOM 0 HB3 ALA A 33 21.105 20.066 10.700 1.00 3.22 H new ATOM 503 N LEU A 34 19.311 18.119 9.660 1.00 53.14 N ATOM 504 CA LEU A 34 18.034 17.451 9.896 1.00 63.15 C ATOM 505 C LEU A 34 17.854 16.253 8.966 1.00 74.13 C ATOM 506 O LEU A 34 17.465 15.169 9.403 1.00 75.13 O ATOM 507 CB LEU A 34 16.866 18.434 9.721 1.00 2.44 C ATOM 508 CG LEU A 34 16.410 19.164 10.993 1.00 20.15 C ATOM 509 CD1 LEU A 34 15.928 18.167 12.037 1.00 40.53 C ATOM 510 CD2 LEU A 34 17.524 20.026 11.561 1.00 2.14 C ATOM 0 H LEU A 34 19.229 19.074 9.313 1.00 53.14 H new ATOM 0 HA LEU A 34 18.038 17.088 10.924 1.00 63.15 H new ATOM 0 HB2 LEU A 34 17.152 19.180 8.979 1.00 2.44 H new ATOM 0 HB3 LEU A 34 16.015 17.889 9.313 1.00 2.44 H new ATOM 0 HG LEU A 34 15.581 19.818 10.724 1.00 20.15 H new ATOM 0 HD11 LEU A 34 15.609 18.702 12.931 1.00 40.53 H new ATOM 0 HD12 LEU A 34 15.089 17.598 11.636 1.00 40.53 H new ATOM 0 HD13 LEU A 34 16.740 17.486 12.292 1.00 40.53 H new ATOM 0 HD21 LEU A 34 17.171 20.530 12.461 1.00 2.14 H new ATOM 0 HD22 LEU A 34 18.380 19.398 11.809 1.00 2.14 H new ATOM 0 HD23 LEU A 34 17.822 20.770 10.822 1.00 2.14 H new ATOM 522 N LEU A 35 18.156 16.448 7.691 1.00 33.13 N ATOM 523 CA LEU A 35 17.968 15.400 6.692 1.00 40.52 C ATOM 524 C LEU A 35 18.933 14.232 6.901 1.00 5.24 C ATOM 525 O LEU A 35 18.571 13.081 6.666 1.00 72.35 O ATOM 526 CB LEU A 35 18.116 15.966 5.277 1.00 55.52 C ATOM 527 CG LEU A 35 16.824 16.482 4.631 1.00 3.21 C ATOM 528 CD1 LEU A 35 16.198 17.596 5.459 1.00 51.22 C ATOM 529 CD2 LEU A 35 17.099 16.964 3.216 1.00 64.40 C ATOM 0 H LEU A 35 18.532 17.321 7.321 1.00 33.13 H new ATOM 0 HA LEU A 35 16.955 15.017 6.814 1.00 40.52 H new ATOM 0 HB2 LEU A 35 18.838 16.782 5.305 1.00 55.52 H new ATOM 0 HB3 LEU A 35 18.536 15.190 4.637 1.00 55.52 H new ATOM 0 HG LEU A 35 16.114 15.656 4.592 1.00 3.21 H new ATOM 0 HD11 LEU A 35 15.284 17.940 4.974 1.00 51.22 H new ATOM 0 HD12 LEU A 35 15.962 17.220 6.455 1.00 51.22 H new ATOM 0 HD13 LEU A 35 16.900 18.426 5.542 1.00 51.22 H new ATOM 0 HD21 LEU A 35 16.174 17.328 2.769 1.00 64.40 H new ATOM 0 HD22 LEU A 35 17.831 17.771 3.242 1.00 64.40 H new ATOM 0 HD23 LEU A 35 17.490 16.139 2.620 1.00 64.40 H new ATOM 541 N CYS A 36 20.147 14.525 7.360 1.00 33.14 N ATOM 542 CA CYS A 36 21.152 13.484 7.597 1.00 11.42 C ATOM 543 C CYS A 36 20.741 12.541 8.721 1.00 12.21 C ATOM 544 O CYS A 36 21.271 11.436 8.838 1.00 70.34 O ATOM 545 CB CYS A 36 22.506 14.107 7.931 1.00 4.50 C ATOM 546 SG CYS A 36 23.356 14.839 6.513 1.00 54.32 S ATOM 0 H CYS A 36 20.461 15.471 7.576 1.00 33.14 H new ATOM 0 HA CYS A 36 21.232 12.906 6.676 1.00 11.42 H new ATOM 0 HB2 CYS A 36 22.362 14.876 8.690 1.00 4.50 H new ATOM 0 HB3 CYS A 36 23.147 13.342 8.369 1.00 4.50 H new ATOM 0 HG CYS A 36 22.942 16.059 6.342 1.00 54.32 H new ATOM 552 N ARG A 37 19.804 12.976 9.548 1.00 51.20 N ATOM 553 CA ARG A 37 19.363 12.171 10.674 1.00 34.43 C ATOM 554 C ARG A 37 18.131 11.356 10.300 1.00 14.35 C ATOM 555 O ARG A 37 17.606 10.591 11.106 1.00 42.53 O ATOM 556 CB ARG A 37 19.087 13.060 11.886 1.00 32.30 C ATOM 557 CG ARG A 37 20.284 13.915 12.273 1.00 43.23 C ATOM 558 CD ARG A 37 20.056 14.648 13.584 1.00 5.05 C ATOM 559 NE ARG A 37 19.855 13.726 14.704 1.00 43.43 N ATOM 560 CZ ARG A 37 20.406 13.887 15.906 1.00 2.44 C ATOM 561 NH1 ARG A 37 21.206 14.921 16.141 1.00 61.42 N ATOM 562 NH2 ARG A 37 20.161 13.006 16.867 1.00 55.24 N ATOM 0 H ARG A 37 19.336 13.878 9.461 1.00 51.20 H new ATOM 0 HA ARG A 37 20.158 11.474 10.938 1.00 34.43 H new ATOM 0 HB2 ARG A 37 18.238 13.708 11.670 1.00 32.30 H new ATOM 0 HB3 ARG A 37 18.804 12.435 12.733 1.00 32.30 H new ATOM 0 HG2 ARG A 37 21.168 13.284 12.359 1.00 43.23 H new ATOM 0 HG3 ARG A 37 20.484 14.638 11.483 1.00 43.23 H new ATOM 0 HD2 ARG A 37 20.911 15.290 13.793 1.00 5.05 H new ATOM 0 HD3 ARG A 37 19.186 15.297 13.489 1.00 5.05 H new ATOM 0 HE ARG A 37 19.258 12.913 14.555 1.00 43.43 H new ATOM 0 HH11 ARG A 37 21.400 15.595 15.400 1.00 61.42 H new ATOM 0 HH12 ARG A 37 21.626 15.041 17.063 1.00 61.42 H new ATOM 0 HH21 ARG A 37 19.552 12.208 16.684 1.00 55.24 H new ATOM 0 HH22 ARG A 37 20.581 13.126 17.789 1.00 55.24 H new ATOM 576 N ARG A 38 17.674 11.531 9.068 1.00 2.53 N ATOM 577 CA ARG A 38 16.546 10.767 8.559 1.00 2.05 C ATOM 578 C ARG A 38 16.978 9.912 7.370 1.00 61.41 C ATOM 579 O ARG A 38 16.679 8.719 7.308 1.00 11.31 O ATOM 580 CB ARG A 38 15.394 11.699 8.160 1.00 23.14 C ATOM 581 CG ARG A 38 14.178 10.961 7.616 1.00 24.55 C ATOM 582 CD ARG A 38 13.728 9.849 8.553 1.00 5.44 C ATOM 583 NE ARG A 38 13.314 10.357 9.861 1.00 52.14 N ATOM 584 CZ ARG A 38 13.675 9.813 11.025 1.00 24.15 C ATOM 585 NH1 ARG A 38 14.513 8.784 11.057 1.00 53.54 N ATOM 586 NH2 ARG A 38 13.198 10.302 12.161 1.00 25.01 N ATOM 0 H ARG A 38 18.068 12.196 8.403 1.00 2.53 H new ATOM 0 HA ARG A 38 16.192 10.108 9.352 1.00 2.05 H new ATOM 0 HB2 ARG A 38 15.095 12.286 9.028 1.00 23.14 H new ATOM 0 HB3 ARG A 38 15.750 12.402 7.407 1.00 23.14 H new ATOM 0 HG2 ARG A 38 13.360 11.666 7.469 1.00 24.55 H new ATOM 0 HG3 ARG A 38 14.415 10.540 6.639 1.00 24.55 H new ATOM 0 HD2 ARG A 38 12.899 9.307 8.098 1.00 5.44 H new ATOM 0 HD3 ARG A 38 14.542 9.136 8.684 1.00 5.44 H new ATOM 0 HE ARG A 38 12.711 11.179 9.885 1.00 52.14 H new ATOM 0 HH11 ARG A 38 14.886 8.403 10.188 1.00 53.54 H new ATOM 0 HH12 ARG A 38 14.784 8.374 11.951 1.00 53.54 H new ATOM 0 HH21 ARG A 38 12.555 11.094 12.145 1.00 25.01 H new ATOM 0 HH22 ARG A 38 13.474 9.886 13.051 1.00 25.01 H new ATOM 600 N LEU A 39 17.691 10.526 6.440 1.00 65.23 N ATOM 601 CA LEU A 39 18.170 9.834 5.256 1.00 20.15 C ATOM 602 C LEU A 39 19.692 9.774 5.276 1.00 65.21 C ATOM 603 O LEU A 39 20.332 10.410 6.116 1.00 43.15 O ATOM 604 CB LEU A 39 17.672 10.543 3.994 1.00 10.31 C ATOM 605 CG LEU A 39 16.151 10.548 3.813 1.00 51.21 C ATOM 606 CD1 LEU A 39 15.754 11.425 2.635 1.00 2.22 C ATOM 607 CD2 LEU A 39 15.633 9.130 3.619 1.00 20.33 C ATOM 0 H LEU A 39 17.952 11.511 6.484 1.00 65.23 H new ATOM 0 HA LEU A 39 17.781 8.816 5.252 1.00 20.15 H new ATOM 0 HB2 LEU A 39 18.024 11.574 4.012 1.00 10.31 H new ATOM 0 HB3 LEU A 39 18.125 10.066 3.125 1.00 10.31 H new ATOM 0 HG LEU A 39 15.700 10.961 4.715 1.00 51.21 H new ATOM 0 HD11 LEU A 39 14.670 11.415 2.523 1.00 2.22 H new ATOM 0 HD12 LEU A 39 16.091 12.446 2.812 1.00 2.22 H new ATOM 0 HD13 LEU A 39 16.216 11.043 1.725 1.00 2.22 H new ATOM 0 HD21 LEU A 39 14.551 9.152 3.492 1.00 20.33 H new ATOM 0 HD22 LEU A 39 16.093 8.692 2.733 1.00 20.33 H new ATOM 0 HD23 LEU A 39 15.883 8.528 4.493 1.00 20.33 H new ATOM 619 N SER A 40 20.270 9.013 4.362 1.00 0.33 N ATOM 620 CA SER A 40 21.709 8.829 4.340 1.00 2.24 C ATOM 621 C SER A 40 22.384 9.881 3.458 1.00 60.02 C ATOM 622 O SER A 40 21.717 10.704 2.819 1.00 20.13 O ATOM 623 CB SER A 40 22.055 7.419 3.852 1.00 31.30 C ATOM 624 OG SER A 40 23.431 7.132 4.043 1.00 44.04 O ATOM 0 H SER A 40 19.766 8.515 3.628 1.00 0.33 H new ATOM 0 HA SER A 40 22.084 8.951 5.356 1.00 2.24 H new ATOM 0 HB2 SER A 40 21.451 6.687 4.388 1.00 31.30 H new ATOM 0 HB3 SER A 40 21.805 7.326 2.795 1.00 31.30 H new ATOM 0 HG SER A 40 23.623 6.225 3.724 1.00 44.04 H new ATOM 630 N HIS A 41 23.715 9.833 3.426 1.00 13.31 N ATOM 631 CA HIS A 41 24.522 10.799 2.682 1.00 75.25 C ATOM 632 C HIS A 41 24.173 10.799 1.196 1.00 41.11 C ATOM 633 O HIS A 41 24.262 11.833 0.535 1.00 41.13 O ATOM 634 CB HIS A 41 26.024 10.524 2.876 1.00 10.05 C ATOM 635 CG HIS A 41 26.471 9.151 2.453 1.00 74.22 C ATOM 636 ND1 HIS A 41 27.138 8.904 1.274 1.00 64.11 N ATOM 637 CD2 HIS A 41 26.355 7.953 3.071 1.00 31.41 C ATOM 638 CE1 HIS A 41 27.408 7.615 1.185 1.00 64.54 C ATOM 639 NE2 HIS A 41 26.946 7.015 2.265 1.00 43.23 N ATOM 0 H HIS A 41 24.263 9.125 3.914 1.00 13.31 H new ATOM 0 HA HIS A 41 24.292 11.787 3.081 1.00 75.25 H new ATOM 0 HB2 HIS A 41 26.591 11.265 2.313 1.00 10.05 H new ATOM 0 HB3 HIS A 41 26.272 10.664 3.928 1.00 10.05 H new ATOM 0 HD2 HIS A 41 25.883 7.769 4.025 1.00 31.41 H new ATOM 0 HE1 HIS A 41 27.921 7.133 0.366 1.00 64.54 H new ATOM 0 HE2 HIS A 41 27.017 6.018 2.467 1.00 43.23 H new ATOM 648 N ASP A 42 23.769 9.645 0.678 1.00 23.54 N ATOM 649 CA ASP A 42 23.397 9.536 -0.727 1.00 0.05 C ATOM 650 C ASP A 42 22.153 10.365 -1.003 1.00 12.44 C ATOM 651 O ASP A 42 22.155 11.225 -1.882 1.00 21.11 O ATOM 652 CB ASP A 42 23.136 8.078 -1.120 1.00 61.05 C ATOM 653 CG ASP A 42 24.335 7.181 -0.903 1.00 60.32 C ATOM 654 OD1 ASP A 42 24.468 6.621 0.206 1.00 11.00 O ATOM 655 OD2 ASP A 42 25.145 7.024 -1.839 1.00 63.43 O ATOM 0 H ASP A 42 23.691 8.776 1.207 1.00 23.54 H new ATOM 0 HA ASP A 42 24.229 9.912 -1.323 1.00 0.05 H new ATOM 0 HB2 ASP A 42 22.295 7.697 -0.541 1.00 61.05 H new ATOM 0 HB3 ASP A 42 22.845 8.037 -2.170 1.00 61.05 H new ATOM 660 N GLU A 43 21.101 10.110 -0.231 1.00 14.52 N ATOM 661 CA GLU A 43 19.840 10.819 -0.390 1.00 51.01 C ATOM 662 C GLU A 43 20.022 12.319 -0.209 1.00 73.32 C ATOM 663 O GLU A 43 19.540 13.108 -1.024 1.00 20.03 O ATOM 664 CB GLU A 43 18.783 10.317 0.600 1.00 51.22 C ATOM 665 CG GLU A 43 18.459 8.836 0.483 1.00 54.12 C ATOM 666 CD GLU A 43 19.409 7.964 1.278 1.00 74.12 C ATOM 667 OE1 GLU A 43 20.505 7.648 0.773 1.00 44.24 O ATOM 668 OE2 GLU A 43 19.060 7.594 2.415 1.00 43.22 O ATOM 0 H GLU A 43 21.099 9.413 0.514 1.00 14.52 H new ATOM 0 HA GLU A 43 19.496 10.620 -1.405 1.00 51.01 H new ATOM 0 HB2 GLU A 43 19.128 10.521 1.614 1.00 51.22 H new ATOM 0 HB3 GLU A 43 17.867 10.889 0.454 1.00 51.22 H new ATOM 0 HG2 GLU A 43 17.439 8.663 0.828 1.00 54.12 H new ATOM 0 HG3 GLU A 43 18.495 8.542 -0.566 1.00 54.12 H new ATOM 675 N VAL A 44 20.720 12.718 0.851 1.00 12.04 N ATOM 676 CA VAL A 44 20.892 14.137 1.143 1.00 64.12 C ATOM 677 C VAL A 44 21.726 14.829 0.064 1.00 44.32 C ATOM 678 O VAL A 44 21.414 15.950 -0.348 1.00 4.42 O ATOM 679 CB VAL A 44 21.506 14.384 2.544 1.00 64.34 C ATOM 680 CG1 VAL A 44 20.616 13.791 3.623 1.00 55.54 C ATOM 681 CG2 VAL A 44 22.911 13.818 2.651 1.00 41.02 C ATOM 0 H VAL A 44 21.170 12.087 1.514 1.00 12.04 H new ATOM 0 HA VAL A 44 19.894 14.574 1.145 1.00 64.12 H new ATOM 0 HB VAL A 44 21.572 15.462 2.688 1.00 64.34 H new ATOM 0 HG11 VAL A 44 21.060 13.972 4.602 1.00 55.54 H new ATOM 0 HG12 VAL A 44 19.632 14.257 3.579 1.00 55.54 H new ATOM 0 HG13 VAL A 44 20.516 12.717 3.463 1.00 55.54 H new ATOM 0 HG21 VAL A 44 23.306 14.012 3.648 1.00 41.02 H new ATOM 0 HG22 VAL A 44 22.885 12.743 2.474 1.00 41.02 H new ATOM 0 HG23 VAL A 44 23.552 14.293 1.908 1.00 41.02 H new ATOM 691 N LYS A 45 22.767 14.153 -0.423 1.00 40.31 N ATOM 692 CA LYS A 45 23.588 14.710 -1.489 1.00 12.13 C ATOM 693 C LYS A 45 22.768 14.816 -2.767 1.00 13.43 C ATOM 694 O LYS A 45 22.860 15.802 -3.496 1.00 15.20 O ATOM 695 CB LYS A 45 24.836 13.849 -1.733 1.00 61.33 C ATOM 696 CG LYS A 45 25.776 14.426 -2.783 1.00 2.02 C ATOM 697 CD LYS A 45 26.906 13.466 -3.123 1.00 33.13 C ATOM 698 CE LYS A 45 27.881 13.283 -1.967 1.00 75.13 C ATOM 699 NZ LYS A 45 28.615 14.537 -1.641 1.00 24.32 N ATOM 0 H LYS A 45 23.056 13.230 -0.099 1.00 40.31 H new ATOM 0 HA LYS A 45 23.918 15.704 -1.186 1.00 12.13 H new ATOM 0 HB2 LYS A 45 25.378 13.735 -0.794 1.00 61.33 H new ATOM 0 HB3 LYS A 45 24.525 12.852 -2.044 1.00 61.33 H new ATOM 0 HG2 LYS A 45 25.212 14.657 -3.687 1.00 2.02 H new ATOM 0 HG3 LYS A 45 26.194 15.364 -2.419 1.00 2.02 H new ATOM 0 HD2 LYS A 45 26.486 12.498 -3.397 1.00 33.13 H new ATOM 0 HD3 LYS A 45 27.445 13.838 -3.994 1.00 33.13 H new ATOM 0 HE2 LYS A 45 27.336 12.944 -1.086 1.00 75.13 H new ATOM 0 HE3 LYS A 45 28.597 12.501 -2.219 1.00 75.13 H new ATOM 0 HZ1 LYS A 45 29.402 14.321 -0.996 1.00 24.32 H new ATOM 0 HZ2 LYS A 45 28.989 14.958 -2.515 1.00 24.32 H new ATOM 0 HZ3 LYS A 45 27.967 15.209 -1.183 1.00 24.32 H new ATOM 713 N ALA A 46 21.951 13.800 -3.019 1.00 24.01 N ATOM 714 CA ALA A 46 21.119 13.757 -4.213 1.00 74.23 C ATOM 715 C ALA A 46 20.075 14.868 -4.212 1.00 34.34 C ATOM 716 O ALA A 46 19.911 15.567 -5.213 1.00 23.14 O ATOM 717 CB ALA A 46 20.442 12.400 -4.336 1.00 34.25 C ATOM 0 H ALA A 46 21.848 12.990 -2.407 1.00 24.01 H new ATOM 0 HA ALA A 46 21.769 13.913 -5.074 1.00 74.23 H new ATOM 0 HB1 ALA A 46 19.823 12.382 -5.233 1.00 34.25 H new ATOM 0 HB2 ALA A 46 21.200 11.620 -4.403 1.00 34.25 H new ATOM 0 HB3 ALA A 46 19.817 12.225 -3.460 1.00 34.25 H new ATOM 723 N VAL A 47 19.376 15.032 -3.095 1.00 63.11 N ATOM 724 CA VAL A 47 18.321 16.034 -3.004 1.00 5.15 C ATOM 725 C VAL A 47 18.904 17.448 -3.014 1.00 71.40 C ATOM 726 O VAL A 47 18.350 18.344 -3.653 1.00 3.44 O ATOM 727 CB VAL A 47 17.419 15.821 -1.758 1.00 52.11 C ATOM 728 CG1 VAL A 47 18.180 16.038 -0.458 1.00 2.14 C ATOM 729 CG2 VAL A 47 16.198 16.723 -1.823 1.00 1.32 C ATOM 0 H VAL A 47 19.519 14.488 -2.244 1.00 63.11 H new ATOM 0 HA VAL A 47 17.691 15.914 -3.885 1.00 5.15 H new ATOM 0 HB VAL A 47 17.089 14.782 -1.769 1.00 52.11 H new ATOM 0 HG11 VAL A 47 17.510 15.879 0.387 1.00 2.14 H new ATOM 0 HG12 VAL A 47 19.010 15.334 -0.401 1.00 2.14 H new ATOM 0 HG13 VAL A 47 18.566 17.057 -0.428 1.00 2.14 H new ATOM 0 HG21 VAL A 47 15.578 16.560 -0.942 1.00 1.32 H new ATOM 0 HG22 VAL A 47 16.517 17.765 -1.855 1.00 1.32 H new ATOM 0 HG23 VAL A 47 15.622 16.492 -2.719 1.00 1.32 H new ATOM 739 N ALA A 48 20.034 17.644 -2.338 1.00 53.54 N ATOM 740 CA ALA A 48 20.689 18.945 -2.335 1.00 3.21 C ATOM 741 C ALA A 48 21.196 19.290 -3.729 1.00 22.54 C ATOM 742 O ALA A 48 20.980 20.398 -4.219 1.00 13.30 O ATOM 743 CB ALA A 48 21.832 18.970 -1.333 1.00 15.11 C ATOM 0 H ALA A 48 20.509 16.926 -1.792 1.00 53.54 H new ATOM 0 HA ALA A 48 19.956 19.695 -2.037 1.00 3.21 H new ATOM 0 HB1 ALA A 48 22.307 19.951 -1.347 1.00 15.11 H new ATOM 0 HB2 ALA A 48 21.445 18.769 -0.334 1.00 15.11 H new ATOM 0 HB3 ALA A 48 22.565 18.208 -1.598 1.00 15.11 H new ATOM 749 N ASN A 49 21.848 18.326 -4.371 1.00 73.23 N ATOM 750 CA ASN A 49 22.372 18.524 -5.719 1.00 11.34 C ATOM 751 C ASN A 49 21.235 18.805 -6.693 1.00 21.14 C ATOM 752 O ASN A 49 21.329 19.710 -7.511 1.00 34.35 O ATOM 753 CB ASN A 49 23.168 17.297 -6.177 1.00 24.22 C ATOM 754 CG ASN A 49 23.800 17.478 -7.548 1.00 72.24 C ATOM 755 OD1 ASN A 49 23.198 17.156 -8.573 1.00 13.43 O ATOM 756 ND2 ASN A 49 25.023 17.986 -7.579 1.00 34.41 N ATOM 0 H ASN A 49 22.026 17.401 -3.981 1.00 73.23 H new ATOM 0 HA ASN A 49 23.042 19.384 -5.702 1.00 11.34 H new ATOM 0 HB2 ASN A 49 23.950 17.085 -5.448 1.00 24.22 H new ATOM 0 HB3 ASN A 49 22.508 16.430 -6.199 1.00 24.22 H new ATOM 0 HD21 ASN A 49 25.496 18.122 -8.472 1.00 34.41 H new ATOM 0 HD22 ASN A 49 25.491 18.241 -6.710 1.00 34.41 H new ATOM 763 N GLU A 50 20.152 18.042 -6.570 1.00 63.12 N ATOM 764 CA GLU A 50 18.980 18.204 -7.430 1.00 22.12 C ATOM 765 C GLU A 50 18.392 19.604 -7.283 1.00 22.40 C ATOM 766 O GLU A 50 18.098 20.284 -8.267 1.00 61.11 O ATOM 767 CB GLU A 50 17.917 17.162 -7.063 1.00 3.54 C ATOM 768 CG GLU A 50 16.606 17.317 -7.821 1.00 54.34 C ATOM 769 CD GLU A 50 16.671 16.790 -9.244 1.00 12.15 C ATOM 770 OE1 GLU A 50 17.612 17.149 -9.977 1.00 13.25 O ATOM 771 OE2 GLU A 50 15.781 15.999 -9.630 1.00 72.03 O ATOM 0 H GLU A 50 20.061 17.299 -5.877 1.00 63.12 H new ATOM 0 HA GLU A 50 19.291 18.061 -8.465 1.00 22.12 H new ATOM 0 HB2 GLU A 50 18.319 16.167 -7.253 1.00 3.54 H new ATOM 0 HB3 GLU A 50 17.716 17.225 -5.994 1.00 3.54 H new ATOM 0 HG2 GLU A 50 15.818 16.792 -7.282 1.00 54.34 H new ATOM 0 HG3 GLU A 50 16.329 18.371 -7.843 1.00 54.34 H new ATOM 778 N LEU A 51 18.235 20.028 -6.043 1.00 72.23 N ATOM 779 CA LEU A 51 17.596 21.294 -5.742 1.00 55.41 C ATOM 780 C LEU A 51 18.487 22.474 -6.154 1.00 24.41 C ATOM 781 O LEU A 51 17.993 23.525 -6.571 1.00 62.31 O ATOM 782 CB LEU A 51 17.251 21.323 -4.253 1.00 14.10 C ATOM 783 CG LEU A 51 16.372 22.488 -3.796 1.00 34.30 C ATOM 784 CD1 LEU A 51 15.145 22.627 -4.687 1.00 63.41 C ATOM 785 CD2 LEU A 51 15.948 22.293 -2.348 1.00 30.24 C ATOM 0 H LEU A 51 18.545 19.508 -5.222 1.00 72.23 H new ATOM 0 HA LEU A 51 16.676 21.393 -6.318 1.00 55.41 H new ATOM 0 HB2 LEU A 51 16.747 20.391 -3.998 1.00 14.10 H new ATOM 0 HB3 LEU A 51 18.181 21.349 -3.684 1.00 14.10 H new ATOM 0 HG LEU A 51 16.957 23.404 -3.874 1.00 34.30 H new ATOM 0 HD11 LEU A 51 14.537 23.462 -4.341 1.00 63.41 H new ATOM 0 HD12 LEU A 51 15.460 22.809 -5.714 1.00 63.41 H new ATOM 0 HD13 LEU A 51 14.559 21.709 -4.645 1.00 63.41 H new ATOM 0 HD21 LEU A 51 15.323 23.130 -2.036 1.00 30.24 H new ATOM 0 HD22 LEU A 51 15.384 21.365 -2.256 1.00 30.24 H new ATOM 0 HD23 LEU A 51 16.833 22.245 -1.713 1.00 30.24 H new ATOM 797 N MET A 52 19.800 22.286 -6.059 1.00 34.31 N ATOM 798 CA MET A 52 20.754 23.284 -6.544 1.00 22.22 C ATOM 799 C MET A 52 20.820 23.254 -8.067 1.00 41.23 C ATOM 800 O MET A 52 21.015 24.281 -8.716 1.00 64.42 O ATOM 801 CB MET A 52 22.145 23.039 -5.955 1.00 43.15 C ATOM 802 CG MET A 52 22.230 23.339 -4.472 1.00 23.10 C ATOM 803 SD MET A 52 23.848 22.968 -3.776 1.00 2.50 S ATOM 804 CE MET A 52 23.625 23.582 -2.112 1.00 45.22 C ATOM 0 H MET A 52 20.229 21.455 -5.652 1.00 34.31 H new ATOM 0 HA MET A 52 20.411 24.267 -6.222 1.00 22.22 H new ATOM 0 HB2 MET A 52 22.426 22.000 -6.125 1.00 43.15 H new ATOM 0 HB3 MET A 52 22.870 23.656 -6.485 1.00 43.15 H new ATOM 0 HG2 MET A 52 22.001 24.391 -4.305 1.00 23.10 H new ATOM 0 HG3 MET A 52 21.472 22.760 -3.945 1.00 23.10 H new ATOM 0 HE1 MET A 52 24.535 23.412 -1.537 1.00 45.22 H new ATOM 0 HE2 MET A 52 23.410 24.650 -2.144 1.00 45.22 H new ATOM 0 HE3 MET A 52 22.794 23.059 -1.639 1.00 45.22 H new ATOM 814 N ARG A 53 20.651 22.060 -8.617 1.00 0.12 N ATOM 815 CA ARG A 53 20.589 21.844 -10.059 1.00 31.34 C ATOM 816 C ARG A 53 19.425 22.620 -10.670 1.00 53.14 C ATOM 817 O ARG A 53 19.537 23.175 -11.764 1.00 11.32 O ATOM 818 CB ARG A 53 20.431 20.344 -10.313 1.00 43.45 C ATOM 819 CG ARG A 53 20.163 19.939 -11.749 1.00 71.50 C ATOM 820 CD ARG A 53 19.838 18.457 -11.805 1.00 51.30 C ATOM 821 NE ARG A 53 19.566 17.975 -13.155 1.00 54.25 N ATOM 822 CZ ARG A 53 18.846 16.884 -13.413 1.00 53.43 C ATOM 823 NH1 ARG A 53 18.198 16.260 -12.434 1.00 52.52 N ATOM 824 NH2 ARG A 53 18.737 16.444 -14.657 1.00 40.44 N ATOM 0 H ARG A 53 20.552 21.204 -8.071 1.00 0.12 H new ATOM 0 HA ARG A 53 21.504 22.205 -10.528 1.00 31.34 H new ATOM 0 HB2 ARG A 53 21.338 19.841 -9.978 1.00 43.45 H new ATOM 0 HB3 ARG A 53 19.614 19.975 -9.693 1.00 43.45 H new ATOM 0 HG2 ARG A 53 19.334 20.520 -12.153 1.00 71.50 H new ATOM 0 HG3 ARG A 53 21.034 20.155 -12.368 1.00 71.50 H new ATOM 0 HD2 ARG A 53 20.672 17.893 -11.387 1.00 51.30 H new ATOM 0 HD3 ARG A 53 18.971 18.258 -11.175 1.00 51.30 H new ATOM 0 HE ARG A 53 19.947 18.500 -13.942 1.00 54.25 H new ATOM 0 HH11 ARG A 53 18.251 16.616 -11.480 1.00 52.52 H new ATOM 0 HH12 ARG A 53 17.648 15.425 -12.637 1.00 52.52 H new ATOM 0 HH21 ARG A 53 19.204 16.940 -15.416 1.00 40.44 H new ATOM 0 HH22 ARG A 53 18.186 15.609 -14.856 1.00 40.44 H new ATOM 838 N LEU A 54 18.310 22.656 -9.946 1.00 71.25 N ATOM 839 CA LEU A 54 17.138 23.408 -10.374 1.00 62.34 C ATOM 840 C LEU A 54 17.405 24.909 -10.307 1.00 22.45 C ATOM 841 O LEU A 54 16.815 25.689 -11.054 1.00 5.15 O ATOM 842 CB LEU A 54 15.932 23.063 -9.498 1.00 64.53 C ATOM 843 CG LEU A 54 15.495 21.600 -9.533 1.00 41.12 C ATOM 844 CD1 LEU A 54 14.311 21.381 -8.606 1.00 41.11 C ATOM 845 CD2 LEU A 54 15.150 21.178 -10.954 1.00 13.34 C ATOM 0 H LEU A 54 18.195 22.170 -9.056 1.00 71.25 H new ATOM 0 HA LEU A 54 16.921 23.134 -11.406 1.00 62.34 H new ATOM 0 HB2 LEU A 54 16.164 23.331 -8.467 1.00 64.53 H new ATOM 0 HB3 LEU A 54 15.091 23.684 -9.807 1.00 64.53 H new ATOM 0 HG LEU A 54 16.324 20.982 -9.187 1.00 41.12 H new ATOM 0 HD11 LEU A 54 14.010 20.334 -8.641 1.00 41.11 H new ATOM 0 HD12 LEU A 54 14.594 21.643 -7.587 1.00 41.11 H new ATOM 0 HD13 LEU A 54 13.479 22.008 -8.925 1.00 41.11 H new ATOM 0 HD21 LEU A 54 14.841 20.133 -10.958 1.00 13.34 H new ATOM 0 HD22 LEU A 54 14.337 21.798 -11.330 1.00 13.34 H new ATOM 0 HD23 LEU A 54 16.025 21.300 -11.592 1.00 13.34 H new ATOM 857 N GLY A 55 18.301 25.301 -9.408 1.00 41.21 N ATOM 858 CA GLY A 55 18.654 26.699 -9.267 1.00 63.30 C ATOM 859 C GLY A 55 17.795 27.415 -8.244 1.00 62.12 C ATOM 860 O GLY A 55 17.821 28.640 -8.151 1.00 34.14 O ATOM 0 H GLY A 55 18.790 24.671 -8.772 1.00 41.21 H new ATOM 0 HA2 GLY A 55 19.701 26.778 -8.976 1.00 63.30 H new ATOM 0 HA3 GLY A 55 18.553 27.195 -10.232 1.00 63.30 H new ATOM 864 N ASP A 56 17.038 26.651 -7.468 1.00 0.02 N ATOM 865 CA ASP A 56 16.141 27.230 -6.470 1.00 15.42 C ATOM 866 C ASP A 56 16.796 27.243 -5.095 1.00 64.31 C ATOM 867 O ASP A 56 16.181 27.619 -4.098 1.00 71.51 O ATOM 868 CB ASP A 56 14.819 26.459 -6.420 1.00 73.02 C ATOM 869 CG ASP A 56 14.047 26.550 -7.721 1.00 5.42 C ATOM 870 OD1 ASP A 56 13.543 27.649 -8.048 1.00 72.25 O ATOM 871 OD2 ASP A 56 13.933 25.528 -8.426 1.00 0.31 O ATOM 0 H ASP A 56 17.025 25.632 -7.508 1.00 0.02 H new ATOM 0 HA ASP A 56 15.933 28.259 -6.762 1.00 15.42 H new ATOM 0 HB2 ASP A 56 15.021 25.412 -6.193 1.00 73.02 H new ATOM 0 HB3 ASP A 56 14.205 26.849 -5.608 1.00 73.02 H new ATOM 876 N PHE A 57 18.055 26.836 -5.055 1.00 41.20 N ATOM 877 CA PHE A 57 18.824 26.820 -3.820 1.00 0.01 C ATOM 878 C PHE A 57 19.813 27.986 -3.833 1.00 54.22 C ATOM 879 O PHE A 57 19.955 28.670 -4.850 1.00 53.24 O ATOM 880 CB PHE A 57 19.577 25.490 -3.704 1.00 1.34 C ATOM 881 CG PHE A 57 19.709 24.950 -2.303 1.00 74.43 C ATOM 882 CD1 PHE A 57 20.505 25.579 -1.362 1.00 34.42 C ATOM 883 CD2 PHE A 57 19.043 23.793 -1.939 1.00 53.03 C ATOM 884 CE1 PHE A 57 20.634 25.067 -0.086 1.00 53.11 C ATOM 885 CE2 PHE A 57 19.166 23.277 -0.663 1.00 74.50 C ATOM 886 CZ PHE A 57 19.962 23.915 0.265 1.00 15.54 C ATOM 0 H PHE A 57 18.570 26.509 -5.872 1.00 41.20 H new ATOM 0 HA PHE A 57 18.157 26.923 -2.964 1.00 0.01 H new ATOM 0 HB2 PHE A 57 19.067 24.747 -4.317 1.00 1.34 H new ATOM 0 HB3 PHE A 57 20.575 25.618 -4.123 1.00 1.34 H new ATOM 0 HD1 PHE A 57 21.033 26.483 -1.629 1.00 34.42 H new ATOM 0 HD2 PHE A 57 18.419 23.287 -2.661 1.00 53.03 H new ATOM 0 HE1 PHE A 57 21.261 25.568 0.637 1.00 53.11 H new ATOM 0 HE2 PHE A 57 18.639 22.374 -0.392 1.00 74.50 H new ATOM 0 HZ PHE A 57 20.059 23.514 1.263 1.00 15.54 H new ATOM 896 N ASP A 58 20.481 28.228 -2.715 1.00 55.52 N ATOM 897 CA ASP A 58 21.548 29.217 -2.679 1.00 42.31 C ATOM 898 C ASP A 58 22.871 28.517 -2.959 1.00 31.30 C ATOM 899 O ASP A 58 23.000 27.314 -2.723 1.00 23.35 O ATOM 900 CB ASP A 58 21.592 29.937 -1.325 1.00 72.43 C ATOM 901 CG ASP A 58 22.329 31.260 -1.407 1.00 71.31 C ATOM 902 OD1 ASP A 58 21.784 32.206 -2.020 1.00 3.53 O ATOM 903 OD2 ASP A 58 23.449 31.369 -0.870 1.00 11.45 O ATOM 0 H ASP A 58 20.305 27.757 -1.827 1.00 55.52 H new ATOM 0 HA ASP A 58 21.362 29.974 -3.441 1.00 42.31 H new ATOM 0 HB2 ASP A 58 20.575 30.110 -0.974 1.00 72.43 H new ATOM 0 HB3 ASP A 58 22.079 29.296 -0.590 1.00 72.43 H new ATOM 908 N GLN A 59 23.841 29.246 -3.477 1.00 65.13 N ATOM 909 CA GLN A 59 25.101 28.641 -3.874 1.00 61.52 C ATOM 910 C GLN A 59 26.062 28.529 -2.692 1.00 42.02 C ATOM 911 O GLN A 59 26.878 29.424 -2.451 1.00 22.20 O ATOM 912 CB GLN A 59 25.746 29.446 -5.008 1.00 52.04 C ATOM 913 CG GLN A 59 26.890 28.722 -5.701 1.00 33.10 C ATOM 914 CD GLN A 59 26.415 27.573 -6.573 1.00 42.12 C ATOM 915 OE1 GLN A 59 25.383 26.956 -6.311 1.00 43.20 O ATOM 916 NE2 GLN A 59 27.168 27.276 -7.620 1.00 63.24 N ATOM 0 H GLN A 59 23.783 30.252 -3.633 1.00 65.13 H new ATOM 0 HA GLN A 59 24.889 27.633 -4.231 1.00 61.52 H new ATOM 0 HB2 GLN A 59 24.983 29.691 -5.747 1.00 52.04 H new ATOM 0 HB3 GLN A 59 26.116 30.390 -4.607 1.00 52.04 H new ATOM 0 HG2 GLN A 59 27.445 29.432 -6.314 1.00 33.10 H new ATOM 0 HG3 GLN A 59 27.581 28.340 -4.949 1.00 33.10 H new ATOM 0 HE21 GLN A 59 28.017 27.810 -7.805 1.00 63.24 H new ATOM 0 HE22 GLN A 59 26.899 26.513 -8.242 1.00 63.24 H new ATOM 925 N ILE A 60 25.933 27.443 -1.939 1.00 73.33 N ATOM 926 CA ILE A 60 26.876 27.119 -0.869 1.00 52.00 C ATOM 927 C ILE A 60 27.233 25.637 -0.938 1.00 62.32 C ATOM 928 O ILE A 60 26.495 24.845 -1.521 1.00 61.30 O ATOM 929 CB ILE A 60 26.349 27.447 0.559 1.00 22.03 C ATOM 930 CG1 ILE A 60 25.117 26.603 0.934 1.00 74.12 C ATOM 931 CG2 ILE A 60 26.042 28.935 0.697 1.00 12.40 C ATOM 932 CD1 ILE A 60 23.825 27.041 0.277 1.00 34.21 C ATOM 0 H ILE A 60 25.179 26.765 -2.049 1.00 73.33 H new ATOM 0 HA ILE A 60 27.751 27.748 -1.033 1.00 52.00 H new ATOM 0 HB ILE A 60 27.144 27.187 1.258 1.00 22.03 H new ATOM 0 HG12 ILE A 60 25.310 25.564 0.667 1.00 74.12 H new ATOM 0 HG13 ILE A 60 24.987 26.635 2.016 1.00 74.12 H new ATOM 0 HG21 ILE A 60 25.675 29.139 1.703 1.00 12.40 H new ATOM 0 HG22 ILE A 60 26.949 29.512 0.517 1.00 12.40 H new ATOM 0 HG23 ILE A 60 25.282 29.219 -0.031 1.00 12.40 H new ATOM 0 HD11 ILE A 60 23.013 26.389 0.600 1.00 34.21 H new ATOM 0 HD12 ILE A 60 23.601 28.069 0.564 1.00 34.21 H new ATOM 0 HD13 ILE A 60 23.929 26.981 -0.806 1.00 34.21 H new ATOM 944 N ASP A 61 28.359 25.262 -0.344 1.00 74.15 N ATOM 945 CA ASP A 61 28.816 23.877 -0.403 1.00 11.11 C ATOM 946 C ASP A 61 28.066 23.007 0.601 1.00 32.54 C ATOM 947 O ASP A 61 28.503 22.840 1.734 1.00 44.33 O ATOM 948 CB ASP A 61 30.321 23.778 -0.120 1.00 43.43 C ATOM 949 CG ASP A 61 31.171 24.488 -1.152 1.00 44.22 C ATOM 950 OD1 ASP A 61 31.244 24.014 -2.301 1.00 63.43 O ATOM 951 OD2 ASP A 61 31.799 25.511 -0.801 1.00 51.15 O ATOM 0 H ASP A 61 28.969 25.890 0.180 1.00 74.15 H new ATOM 0 HA ASP A 61 28.615 23.518 -1.412 1.00 11.11 H new ATOM 0 HB2 ASP A 61 30.527 24.200 0.864 1.00 43.43 H new ATOM 0 HB3 ASP A 61 30.609 22.727 -0.083 1.00 43.43 H new ATOM 956 N ILE A 62 26.931 22.466 0.182 1.00 1.14 N ATOM 957 CA ILE A 62 26.179 21.543 1.028 1.00 44.54 C ATOM 958 C ILE A 62 26.677 20.119 0.838 1.00 35.03 C ATOM 959 O ILE A 62 26.797 19.358 1.800 1.00 21.22 O ATOM 960 CB ILE A 62 24.659 21.618 0.751 1.00 53.15 C ATOM 961 CG1 ILE A 62 24.093 22.929 1.301 1.00 34.35 C ATOM 962 CG2 ILE A 62 23.924 20.421 1.352 1.00 21.32 C ATOM 963 CD1 ILE A 62 24.360 23.134 2.777 1.00 32.22 C ATOM 0 H ILE A 62 26.511 22.646 -0.730 1.00 1.14 H new ATOM 0 HA ILE A 62 26.343 21.843 2.063 1.00 44.54 H new ATOM 0 HB ILE A 62 24.507 21.589 -0.328 1.00 53.15 H new ATOM 0 HG12 ILE A 62 24.522 23.762 0.744 1.00 34.35 H new ATOM 0 HG13 ILE A 62 23.017 22.951 1.129 1.00 34.35 H new ATOM 0 HG21 ILE A 62 22.858 20.504 1.139 1.00 21.32 H new ATOM 0 HG22 ILE A 62 24.310 19.500 0.915 1.00 21.32 H new ATOM 0 HG23 ILE A 62 24.079 20.403 2.431 1.00 21.32 H new ATOM 0 HD11 ILE A 62 23.930 24.083 3.096 1.00 32.22 H new ATOM 0 HD12 ILE A 62 23.907 22.321 3.345 1.00 32.22 H new ATOM 0 HD13 ILE A 62 25.435 23.145 2.954 1.00 32.22 H new ATOM 975 N GLY A 63 27.001 19.777 -0.405 1.00 31.43 N ATOM 976 CA GLY A 63 27.502 18.450 -0.707 1.00 52.11 C ATOM 977 C GLY A 63 28.794 18.144 0.025 1.00 31.22 C ATOM 978 O GLY A 63 29.149 16.982 0.208 1.00 14.54 O ATOM 0 H GLY A 63 26.925 20.398 -1.211 1.00 31.43 H new ATOM 0 HA2 GLY A 63 26.749 17.709 -0.437 1.00 52.11 H new ATOM 0 HA3 GLY A 63 27.665 18.361 -1.781 1.00 52.11 H new ATOM 982 N VAL A 64 29.498 19.198 0.424 1.00 13.42 N ATOM 983 CA VAL A 64 30.738 19.066 1.177 1.00 34.32 C ATOM 984 C VAL A 64 30.473 18.853 2.670 1.00 53.31 C ATOM 985 O VAL A 64 31.069 17.980 3.290 1.00 3.43 O ATOM 986 CB VAL A 64 31.632 20.309 0.988 1.00 54.13 C ATOM 987 CG1 VAL A 64 32.927 20.178 1.778 1.00 30.14 C ATOM 988 CG2 VAL A 64 31.928 20.527 -0.488 1.00 21.11 C ATOM 0 H VAL A 64 29.226 20.163 0.235 1.00 13.42 H new ATOM 0 HA VAL A 64 31.254 18.188 0.788 1.00 34.32 H new ATOM 0 HB VAL A 64 31.093 21.176 1.369 1.00 54.13 H new ATOM 0 HG11 VAL A 64 33.537 21.068 1.626 1.00 30.14 H new ATOM 0 HG12 VAL A 64 32.697 20.072 2.838 1.00 30.14 H new ATOM 0 HG13 VAL A 64 33.475 19.300 1.436 1.00 30.14 H new ATOM 0 HG21 VAL A 64 32.560 21.407 -0.606 1.00 21.11 H new ATOM 0 HG22 VAL A 64 32.443 19.654 -0.889 1.00 21.11 H new ATOM 0 HG23 VAL A 64 30.993 20.676 -1.028 1.00 21.11 H new ATOM 998 N VAL A 65 29.564 19.644 3.238 1.00 25.53 N ATOM 999 CA VAL A 65 29.316 19.616 4.681 1.00 41.35 C ATOM 1000 C VAL A 65 28.637 18.315 5.114 1.00 15.00 C ATOM 1001 O VAL A 65 28.875 17.815 6.214 1.00 61.02 O ATOM 1002 CB VAL A 65 28.457 20.818 5.139 1.00 41.42 C ATOM 1003 CG1 VAL A 65 28.301 20.829 6.653 1.00 52.00 C ATOM 1004 CG2 VAL A 65 29.064 22.129 4.667 1.00 63.33 C ATOM 0 H VAL A 65 28.988 20.311 2.724 1.00 25.53 H new ATOM 0 HA VAL A 65 30.293 19.680 5.159 1.00 41.35 H new ATOM 0 HB VAL A 65 27.470 20.711 4.690 1.00 41.42 H new ATOM 0 HG11 VAL A 65 27.693 21.684 6.950 1.00 52.00 H new ATOM 0 HG12 VAL A 65 27.815 19.908 6.975 1.00 52.00 H new ATOM 0 HG13 VAL A 65 29.283 20.903 7.119 1.00 52.00 H new ATOM 0 HG21 VAL A 65 28.442 22.959 5.001 1.00 63.33 H new ATOM 0 HG22 VAL A 65 30.066 22.236 5.082 1.00 63.33 H new ATOM 0 HG23 VAL A 65 29.120 22.133 3.578 1.00 63.33 H new ATOM 1014 N ILE A 66 27.804 17.756 4.246 1.00 60.32 N ATOM 1015 CA ILE A 66 27.113 16.507 4.559 1.00 21.23 C ATOM 1016 C ILE A 66 28.094 15.344 4.658 1.00 32.33 C ATOM 1017 O ILE A 66 27.797 14.317 5.270 1.00 44.40 O ATOM 1018 CB ILE A 66 26.040 16.165 3.507 1.00 4.44 C ATOM 1019 CG1 ILE A 66 26.665 16.093 2.114 1.00 1.10 C ATOM 1020 CG2 ILE A 66 24.915 17.186 3.543 1.00 30.33 C ATOM 1021 CD1 ILE A 66 25.684 15.739 1.023 1.00 22.24 C ATOM 0 H ILE A 66 27.590 18.142 3.326 1.00 60.32 H new ATOM 0 HA ILE A 66 26.626 16.658 5.523 1.00 21.23 H new ATOM 0 HB ILE A 66 25.619 15.188 3.744 1.00 4.44 H new ATOM 0 HG12 ILE A 66 27.122 17.055 1.881 1.00 1.10 H new ATOM 0 HG13 ILE A 66 27.466 15.354 2.123 1.00 1.10 H new ATOM 0 HG21 ILE A 66 24.166 16.929 2.794 1.00 30.33 H new ATOM 0 HG22 ILE A 66 24.455 17.185 4.531 1.00 30.33 H new ATOM 0 HG23 ILE A 66 25.316 18.177 3.330 1.00 30.33 H new ATOM 0 HD11 ILE A 66 26.202 15.707 0.064 1.00 22.24 H new ATOM 0 HD12 ILE A 66 25.245 14.763 1.231 1.00 22.24 H new ATOM 0 HD13 ILE A 66 24.896 16.491 0.985 1.00 22.24 H new ATOM 1033 N THR A 67 29.256 15.508 4.041 1.00 14.14 N ATOM 1034 CA THR A 67 30.291 14.491 4.072 1.00 50.13 C ATOM 1035 C THR A 67 31.482 14.970 4.902 1.00 71.42 C ATOM 1036 O THR A 67 32.476 14.259 5.066 1.00 32.31 O ATOM 1037 CB THR A 67 30.743 14.139 2.641 1.00 41.24 C ATOM 1038 OG1 THR A 67 31.102 15.334 1.935 1.00 22.32 O ATOM 1039 CG2 THR A 67 29.634 13.418 1.884 1.00 74.34 C ATOM 0 H THR A 67 29.504 16.343 3.510 1.00 14.14 H new ATOM 0 HA THR A 67 29.881 13.594 4.536 1.00 50.13 H new ATOM 0 HB THR A 67 31.607 13.478 2.709 1.00 41.24 H new ATOM 0 HG1 THR A 67 31.187 16.076 2.570 1.00 22.32 H new ATOM 0 HG21 THR A 67 29.976 13.180 0.877 1.00 74.34 H new ATOM 0 HG22 THR A 67 29.376 12.497 2.407 1.00 74.34 H new ATOM 0 HG23 THR A 67 28.756 14.061 1.826 1.00 74.34 H new ATOM 1047 N HIS A 68 31.360 16.182 5.429 1.00 62.10 N ATOM 1048 CA HIS A 68 32.397 16.788 6.247 1.00 75.44 C ATOM 1049 C HIS A 68 31.776 17.805 7.199 1.00 63.13 C ATOM 1050 O HIS A 68 31.723 19.000 6.901 1.00 34.35 O ATOM 1051 CB HIS A 68 33.458 17.468 5.368 1.00 73.14 C ATOM 1052 CG HIS A 68 34.620 18.031 6.135 1.00 52.01 C ATOM 1053 ND1 HIS A 68 34.684 19.343 6.562 1.00 65.54 N ATOM 1054 CD2 HIS A 68 35.770 17.449 6.549 1.00 52.12 C ATOM 1055 CE1 HIS A 68 35.822 19.540 7.202 1.00 12.54 C ATOM 1056 NE2 HIS A 68 36.497 18.408 7.208 1.00 54.52 N ATOM 0 H HIS A 68 30.537 16.771 5.300 1.00 62.10 H new ATOM 0 HA HIS A 68 32.884 16.003 6.826 1.00 75.44 H new ATOM 0 HB2 HIS A 68 33.831 16.745 4.643 1.00 73.14 H new ATOM 0 HB3 HIS A 68 32.986 18.272 4.803 1.00 73.14 H new ATOM 0 HD2 HIS A 68 36.061 16.421 6.390 1.00 52.12 H new ATOM 0 HE1 HIS A 68 36.145 20.470 7.645 1.00 12.54 H new ATOM 0 HE2 HIS A 68 37.413 18.267 7.634 1.00 54.52 H new ATOM 1065 N PHE A 69 31.275 17.318 8.326 1.00 30.31 N ATOM 1066 CA PHE A 69 30.681 18.186 9.332 1.00 22.22 C ATOM 1067 C PHE A 69 31.739 19.091 9.941 1.00 3.34 C ATOM 1068 O PHE A 69 32.917 18.732 10.005 1.00 14.12 O ATOM 1069 CB PHE A 69 29.991 17.360 10.418 1.00 5.11 C ATOM 1070 CG PHE A 69 28.745 16.671 9.938 1.00 12.44 C ATOM 1071 CD1 PHE A 69 27.519 17.313 10.009 1.00 75.14 C ATOM 1072 CD2 PHE A 69 28.799 15.391 9.412 1.00 70.53 C ATOM 1073 CE1 PHE A 69 26.368 16.689 9.565 1.00 11.41 C ATOM 1074 CE2 PHE A 69 27.652 14.762 8.966 1.00 1.20 C ATOM 1075 CZ PHE A 69 26.435 15.413 9.043 1.00 61.22 C ATOM 0 H PHE A 69 31.268 16.327 8.566 1.00 30.31 H new ATOM 0 HA PHE A 69 29.929 18.809 8.848 1.00 22.22 H new ATOM 0 HB2 PHE A 69 30.689 16.613 10.795 1.00 5.11 H new ATOM 0 HB3 PHE A 69 29.739 18.011 11.255 1.00 5.11 H new ATOM 0 HD1 PHE A 69 27.462 18.312 10.416 1.00 75.14 H new ATOM 0 HD2 PHE A 69 29.748 14.879 9.350 1.00 70.53 H new ATOM 0 HE1 PHE A 69 25.418 17.199 9.626 1.00 11.41 H new ATOM 0 HE2 PHE A 69 27.706 13.764 8.558 1.00 1.20 H new ATOM 0 HZ PHE A 69 25.537 14.924 8.695 1.00 61.22 H new ATOM 1085 N THR A 70 31.318 20.263 10.385 1.00 73.34 N ATOM 1086 CA THR A 70 32.244 21.262 10.880 1.00 1.43 C ATOM 1087 C THR A 70 32.215 21.323 12.408 1.00 12.24 C ATOM 1088 O THR A 70 31.202 21.007 13.032 1.00 70.15 O ATOM 1089 CB THR A 70 31.899 22.640 10.282 1.00 44.13 C ATOM 1090 OG1 THR A 70 31.659 22.495 8.876 1.00 53.25 O ATOM 1091 CG2 THR A 70 33.025 23.642 10.499 1.00 54.12 C ATOM 0 H THR A 70 30.338 20.545 10.412 1.00 73.34 H new ATOM 0 HA THR A 70 33.252 20.982 10.572 1.00 1.43 H new ATOM 0 HB THR A 70 31.009 23.017 10.786 1.00 44.13 H new ATOM 0 HG1 THR A 70 31.437 23.368 8.490 1.00 53.25 H new ATOM 0 HG21 THR A 70 32.747 24.602 10.064 1.00 54.12 H new ATOM 0 HG22 THR A 70 33.202 23.765 11.568 1.00 54.12 H new ATOM 0 HG23 THR A 70 33.934 23.277 10.021 1.00 54.12 H new ATOM 1099 N ASP A 71 33.335 21.732 12.991 1.00 4.40 N ATOM 1100 CA ASP A 71 33.484 21.842 14.442 1.00 51.42 C ATOM 1101 C ASP A 71 32.352 22.639 15.092 1.00 70.43 C ATOM 1102 O ASP A 71 31.754 22.194 16.073 1.00 25.34 O ATOM 1103 CB ASP A 71 34.840 22.484 14.755 1.00 3.12 C ATOM 1104 CG ASP A 71 34.874 23.211 16.086 1.00 32.33 C ATOM 1105 OD1 ASP A 71 34.999 22.550 17.133 1.00 55.22 O ATOM 1106 OD2 ASP A 71 34.803 24.462 16.084 1.00 43.24 O ATOM 0 H ASP A 71 34.171 21.999 12.471 1.00 4.40 H new ATOM 0 HA ASP A 71 33.434 20.838 14.863 1.00 51.42 H new ATOM 0 HB2 ASP A 71 35.608 21.711 14.753 1.00 3.12 H new ATOM 0 HB3 ASP A 71 35.093 23.186 13.960 1.00 3.12 H new ATOM 1111 N GLU A 72 32.047 23.807 14.543 1.00 53.51 N ATOM 1112 CA GLU A 72 31.068 24.694 15.164 1.00 25.43 C ATOM 1113 C GLU A 72 29.807 24.840 14.315 1.00 33.41 C ATOM 1114 O GLU A 72 28.979 25.712 14.574 1.00 73.40 O ATOM 1115 CB GLU A 72 31.699 26.065 15.407 1.00 22.45 C ATOM 1116 CG GLU A 72 32.120 26.778 14.133 1.00 12.13 C ATOM 1117 CD GLU A 72 32.968 27.997 14.413 1.00 21.13 C ATOM 1118 OE1 GLU A 72 32.431 28.998 14.923 1.00 21.12 O ATOM 1119 OE2 GLU A 72 34.183 27.957 14.130 1.00 34.31 O ATOM 0 H GLU A 72 32.457 24.161 13.679 1.00 53.51 H new ATOM 0 HA GLU A 72 30.770 24.250 16.114 1.00 25.43 H new ATOM 0 HB2 GLU A 72 30.988 26.692 15.946 1.00 22.45 H new ATOM 0 HB3 GLU A 72 32.570 25.945 16.051 1.00 22.45 H new ATOM 0 HG2 GLU A 72 32.677 26.088 13.500 1.00 12.13 H new ATOM 0 HG3 GLU A 72 31.232 27.076 13.575 1.00 12.13 H new ATOM 1126 N LEU A 73 29.651 23.978 13.321 1.00 73.25 N ATOM 1127 CA LEU A 73 28.512 24.066 12.414 1.00 13.42 C ATOM 1128 C LEU A 73 27.919 22.686 12.168 1.00 3.21 C ATOM 1129 O LEU A 73 28.657 21.711 12.014 1.00 21.12 O ATOM 1130 CB LEU A 73 28.934 24.701 11.084 1.00 45.25 C ATOM 1131 CG LEU A 73 29.396 26.158 11.170 1.00 34.40 C ATOM 1132 CD1 LEU A 73 29.932 26.625 9.827 1.00 1.43 C ATOM 1133 CD2 LEU A 73 28.255 27.056 11.629 1.00 14.24 C ATOM 0 H LEU A 73 30.295 23.212 13.121 1.00 73.25 H new ATOM 0 HA LEU A 73 27.753 24.696 12.878 1.00 13.42 H new ATOM 0 HB2 LEU A 73 29.741 24.106 10.657 1.00 45.25 H new ATOM 0 HB3 LEU A 73 28.095 24.644 10.391 1.00 45.25 H new ATOM 0 HG LEU A 73 30.199 26.221 11.904 1.00 34.40 H new ATOM 0 HD11 LEU A 73 30.256 27.663 9.906 1.00 1.43 H new ATOM 0 HD12 LEU A 73 30.778 26.002 9.536 1.00 1.43 H new ATOM 0 HD13 LEU A 73 29.147 26.546 9.075 1.00 1.43 H new ATOM 0 HD21 LEU A 73 28.603 28.087 11.684 1.00 14.24 H new ATOM 0 HD22 LEU A 73 27.431 26.989 10.919 1.00 14.24 H new ATOM 0 HD23 LEU A 73 27.913 26.736 12.613 1.00 14.24 H new ATOM 1145 N PRO A 74 26.584 22.575 12.116 1.00 15.30 N ATOM 1146 CA PRO A 74 25.667 23.706 12.267 1.00 74.21 C ATOM 1147 C PRO A 74 25.292 23.974 13.727 1.00 3.21 C ATOM 1148 O PRO A 74 25.616 23.185 14.617 1.00 20.44 O ATOM 1149 CB PRO A 74 24.452 23.234 11.475 1.00 52.45 C ATOM 1150 CG PRO A 74 24.421 21.757 11.689 1.00 33.51 C ATOM 1151 CD PRO A 74 25.852 21.317 11.893 1.00 1.34 C ATOM 0 HA PRO A 74 26.097 24.647 11.924 1.00 74.21 H new ATOM 0 HB2 PRO A 74 23.537 23.707 11.832 1.00 52.45 H new ATOM 0 HB3 PRO A 74 24.547 23.481 10.417 1.00 52.45 H new ATOM 0 HG2 PRO A 74 23.811 21.504 12.556 1.00 33.51 H new ATOM 0 HG3 PRO A 74 23.979 21.251 10.831 1.00 33.51 H new ATOM 0 HD2 PRO A 74 25.945 20.645 12.746 1.00 1.34 H new ATOM 0 HD3 PRO A 74 26.233 20.783 11.023 1.00 1.34 H new ATOM 1159 N SER A 75 24.597 25.078 13.965 1.00 34.34 N ATOM 1160 CA SER A 75 24.216 25.463 15.317 1.00 31.40 C ATOM 1161 C SER A 75 22.785 25.023 15.641 1.00 52.02 C ATOM 1162 O SER A 75 21.934 24.908 14.747 1.00 0.30 O ATOM 1163 CB SER A 75 24.351 26.977 15.486 1.00 31.21 C ATOM 1164 OG SER A 75 25.655 27.415 15.141 1.00 22.13 O ATOM 0 H SER A 75 24.285 25.723 13.239 1.00 34.34 H new ATOM 0 HA SER A 75 24.887 24.960 16.013 1.00 31.40 H new ATOM 0 HB2 SER A 75 23.616 27.483 14.859 1.00 31.21 H new ATOM 0 HB3 SER A 75 24.133 27.252 16.518 1.00 31.21 H new ATOM 0 HG SER A 75 25.715 28.386 15.256 1.00 22.13 H new ATOM 1170 N PRO A 76 22.510 24.758 16.935 1.00 45.34 N ATOM 1171 CA PRO A 76 21.172 24.390 17.412 1.00 5.21 C ATOM 1172 C PRO A 76 20.124 25.435 17.047 1.00 44.52 C ATOM 1173 O PRO A 76 18.985 25.099 16.723 1.00 51.42 O ATOM 1174 CB PRO A 76 21.336 24.309 18.933 1.00 72.21 C ATOM 1175 CG PRO A 76 22.787 24.060 19.148 1.00 41.55 C ATOM 1176 CD PRO A 76 23.497 24.775 18.034 1.00 65.15 C ATOM 0 HA PRO A 76 20.823 23.461 16.961 1.00 5.21 H new ATOM 0 HB2 PRO A 76 21.018 25.234 19.415 1.00 72.21 H new ATOM 0 HB3 PRO A 76 20.731 23.506 19.354 1.00 72.21 H new ATOM 0 HG2 PRO A 76 23.108 24.435 20.120 1.00 41.55 H new ATOM 0 HG3 PRO A 76 23.007 22.993 19.130 1.00 41.55 H new ATOM 0 HD2 PRO A 76 23.767 25.793 18.317 1.00 65.15 H new ATOM 0 HD3 PRO A 76 24.420 24.267 17.754 1.00 65.15 H new ATOM 1184 N GLU A 77 20.518 26.703 17.088 1.00 41.22 N ATOM 1185 CA GLU A 77 19.616 27.795 16.742 1.00 22.44 C ATOM 1186 C GLU A 77 19.184 27.694 15.282 1.00 43.15 C ATOM 1187 O GLU A 77 18.034 27.979 14.946 1.00 12.42 O ATOM 1188 CB GLU A 77 20.278 29.150 17.003 1.00 61.33 C ATOM 1189 CG GLU A 77 20.682 29.360 18.454 1.00 22.41 C ATOM 1190 CD GLU A 77 21.136 30.779 18.734 1.00 43.51 C ATOM 1191 OE1 GLU A 77 20.283 31.617 19.088 1.00 3.44 O ATOM 1192 OE2 GLU A 77 22.346 31.060 18.607 1.00 23.01 O ATOM 0 H GLU A 77 21.456 27.000 17.357 1.00 41.22 H new ATOM 0 HA GLU A 77 18.732 27.714 17.374 1.00 22.44 H new ATOM 0 HB2 GLU A 77 21.162 29.241 16.372 1.00 61.33 H new ATOM 0 HB3 GLU A 77 19.592 29.943 16.707 1.00 61.33 H new ATOM 0 HG2 GLU A 77 19.838 29.118 19.101 1.00 22.41 H new ATOM 0 HG3 GLU A 77 21.486 28.669 18.707 1.00 22.41 H new ATOM 1199 N ASP A 78 20.105 27.265 14.425 1.00 64.10 N ATOM 1200 CA ASP A 78 19.820 27.120 13.002 1.00 20.24 C ATOM 1201 C ASP A 78 18.920 25.923 12.758 1.00 23.41 C ATOM 1202 O ASP A 78 17.871 26.042 12.122 1.00 70.25 O ATOM 1203 CB ASP A 78 21.108 26.951 12.189 1.00 74.32 C ATOM 1204 CG ASP A 78 22.058 28.119 12.330 1.00 33.44 C ATOM 1205 OD1 ASP A 78 21.685 29.244 11.943 1.00 54.10 O ATOM 1206 OD2 ASP A 78 23.178 27.913 12.841 1.00 35.31 O ATOM 0 H ASP A 78 21.056 27.011 14.692 1.00 64.10 H new ATOM 0 HA ASP A 78 19.316 28.031 12.678 1.00 20.24 H new ATOM 0 HB2 ASP A 78 21.614 26.039 12.507 1.00 74.32 H new ATOM 0 HB3 ASP A 78 20.852 26.824 11.137 1.00 74.32 H new ATOM 1211 N VAL A 79 19.329 24.765 13.272 1.00 70.42 N ATOM 1212 CA VAL A 79 18.586 23.525 13.044 1.00 65.40 C ATOM 1213 C VAL A 79 17.166 23.604 13.602 1.00 5.45 C ATOM 1214 O VAL A 79 16.209 23.160 12.964 1.00 24.20 O ATOM 1215 CB VAL A 79 19.310 22.294 13.632 1.00 45.54 C ATOM 1216 CG1 VAL A 79 20.590 22.009 12.863 1.00 25.41 C ATOM 1217 CG2 VAL A 79 19.613 22.473 15.107 1.00 2.33 C ATOM 0 H VAL A 79 20.165 24.658 13.846 1.00 70.42 H new ATOM 0 HA VAL A 79 18.530 23.403 11.962 1.00 65.40 H new ATOM 0 HB VAL A 79 18.639 21.441 13.531 1.00 45.54 H new ATOM 0 HG11 VAL A 79 21.086 21.138 13.292 1.00 25.41 H new ATOM 0 HG12 VAL A 79 20.350 21.812 11.818 1.00 25.41 H new ATOM 0 HG13 VAL A 79 21.253 22.872 12.927 1.00 25.41 H new ATOM 0 HG21 VAL A 79 20.122 21.586 15.484 1.00 2.33 H new ATOM 0 HG22 VAL A 79 20.253 23.345 15.244 1.00 2.33 H new ATOM 0 HG23 VAL A 79 18.682 22.617 15.655 1.00 2.33 H new ATOM 1227 N GLU A 80 17.033 24.176 14.784 1.00 62.32 N ATOM 1228 CA GLU A 80 15.729 24.362 15.405 1.00 15.51 C ATOM 1229 C GLU A 80 14.875 25.327 14.583 1.00 42.51 C ATOM 1230 O GLU A 80 13.668 25.135 14.443 1.00 73.11 O ATOM 1231 CB GLU A 80 15.900 24.883 16.831 1.00 72.14 C ATOM 1232 CG GLU A 80 14.597 25.049 17.592 1.00 41.52 C ATOM 1233 CD GLU A 80 14.825 25.504 19.015 1.00 51.12 C ATOM 1234 OE1 GLU A 80 15.064 24.642 19.886 1.00 11.14 O ATOM 1235 OE2 GLU A 80 14.783 26.725 19.270 1.00 23.22 O ATOM 0 H GLU A 80 17.816 24.523 15.339 1.00 62.32 H new ATOM 0 HA GLU A 80 15.218 23.400 15.440 1.00 15.51 H new ATOM 0 HB2 GLU A 80 16.545 24.198 17.382 1.00 72.14 H new ATOM 0 HB3 GLU A 80 16.413 25.844 16.796 1.00 72.14 H new ATOM 0 HG2 GLU A 80 13.966 25.773 17.077 1.00 41.52 H new ATOM 0 HG3 GLU A 80 14.057 24.102 17.596 1.00 41.52 H new ATOM 1242 N ARG A 81 15.517 26.348 14.026 1.00 50.40 N ATOM 1243 CA ARG A 81 14.825 27.346 13.219 1.00 73.35 C ATOM 1244 C ARG A 81 14.233 26.698 11.971 1.00 24.52 C ATOM 1245 O ARG A 81 13.034 26.830 11.689 1.00 72.03 O ATOM 1246 CB ARG A 81 15.792 28.459 12.814 1.00 51.11 C ATOM 1247 CG ARG A 81 15.109 29.689 12.243 1.00 33.12 C ATOM 1248 CD ARG A 81 16.119 30.691 11.699 1.00 12.04 C ATOM 1249 NE ARG A 81 17.231 30.916 12.627 1.00 54.21 N ATOM 1250 CZ ARG A 81 17.338 31.976 13.430 1.00 1.12 C ATOM 1251 NH1 ARG A 81 16.395 32.908 13.440 1.00 25.34 N ATOM 1252 NH2 ARG A 81 18.399 32.107 14.216 1.00 65.00 N ATOM 0 H ARG A 81 16.520 26.506 14.119 1.00 50.40 H new ATOM 0 HA ARG A 81 14.018 27.774 13.813 1.00 73.35 H new ATOM 0 HB2 ARG A 81 16.378 28.752 13.685 1.00 51.11 H new ATOM 0 HB3 ARG A 81 16.492 28.068 12.075 1.00 51.11 H new ATOM 0 HG2 ARG A 81 14.427 29.390 11.447 1.00 33.12 H new ATOM 0 HG3 ARG A 81 14.506 30.163 13.017 1.00 33.12 H new ATOM 0 HD2 ARG A 81 16.510 30.330 10.747 1.00 12.04 H new ATOM 0 HD3 ARG A 81 15.617 31.638 11.499 1.00 12.04 H new ATOM 0 HE ARG A 81 17.972 30.216 12.661 1.00 54.21 H new ATOM 0 HH11 ARG A 81 15.582 32.817 12.831 1.00 25.34 H new ATOM 0 HH12 ARG A 81 16.483 33.716 14.056 1.00 25.34 H new ATOM 0 HH21 ARG A 81 19.132 31.398 14.206 1.00 65.00 H new ATOM 0 HH22 ARG A 81 18.482 32.917 14.830 1.00 65.00 H new ATOM 1266 N VAL A 82 15.079 25.981 11.235 1.00 32.54 N ATOM 1267 CA VAL A 82 14.647 25.323 10.014 1.00 71.44 C ATOM 1268 C VAL A 82 13.586 24.270 10.328 1.00 64.30 C ATOM 1269 O VAL A 82 12.636 24.097 9.571 1.00 33.50 O ATOM 1270 CB VAL A 82 15.830 24.685 9.241 1.00 10.34 C ATOM 1271 CG1 VAL A 82 16.253 23.349 9.838 1.00 44.34 C ATOM 1272 CG2 VAL A 82 15.489 24.531 7.769 1.00 23.43 C ATOM 0 H VAL A 82 16.063 25.844 11.465 1.00 32.54 H new ATOM 0 HA VAL A 82 14.215 26.088 9.368 1.00 71.44 H new ATOM 0 HB VAL A 82 16.678 25.363 9.335 1.00 10.34 H new ATOM 0 HG11 VAL A 82 17.084 22.941 9.263 1.00 44.34 H new ATOM 0 HG12 VAL A 82 16.564 23.495 10.872 1.00 44.34 H new ATOM 0 HG13 VAL A 82 15.414 22.654 9.806 1.00 44.34 H new ATOM 0 HG21 VAL A 82 16.333 24.082 7.245 1.00 23.43 H new ATOM 0 HG22 VAL A 82 14.613 23.891 7.663 1.00 23.43 H new ATOM 0 HG23 VAL A 82 15.276 25.510 7.340 1.00 23.43 H new ATOM 1282 N ARG A 83 13.741 23.594 11.468 1.00 12.43 N ATOM 1283 CA ARG A 83 12.764 22.607 11.907 1.00 22.25 C ATOM 1284 C ARG A 83 11.401 23.263 12.097 1.00 63.13 C ATOM 1285 O ARG A 83 10.393 22.781 11.588 1.00 31.24 O ATOM 1286 CB ARG A 83 13.209 21.950 13.220 1.00 63.22 C ATOM 1287 CG ARG A 83 12.247 20.886 13.721 1.00 61.31 C ATOM 1288 CD ARG A 83 12.587 20.434 15.132 1.00 74.43 C ATOM 1289 NE ARG A 83 13.917 19.829 15.226 1.00 41.44 N ATOM 1290 CZ ARG A 83 14.451 19.399 16.370 1.00 73.12 C ATOM 1291 NH1 ARG A 83 13.782 19.537 17.508 1.00 20.14 N ATOM 1292 NH2 ARG A 83 15.657 18.847 16.379 1.00 15.30 N ATOM 0 H ARG A 83 14.533 23.714 12.100 1.00 12.43 H new ATOM 0 HA ARG A 83 12.688 21.838 11.138 1.00 22.25 H new ATOM 0 HB2 ARG A 83 14.192 21.502 13.078 1.00 63.22 H new ATOM 0 HB3 ARG A 83 13.317 22.720 13.984 1.00 63.22 H new ATOM 0 HG2 ARG A 83 11.230 21.277 13.700 1.00 61.31 H new ATOM 0 HG3 ARG A 83 12.272 20.028 13.049 1.00 61.31 H new ATOM 0 HD2 ARG A 83 12.533 21.289 15.806 1.00 74.43 H new ATOM 0 HD3 ARG A 83 11.840 19.715 15.469 1.00 74.43 H new ATOM 0 HE ARG A 83 14.464 19.731 14.371 1.00 41.44 H new ATOM 0 HH11 ARG A 83 12.859 19.972 17.508 1.00 20.14 H new ATOM 0 HH12 ARG A 83 14.190 19.208 18.383 1.00 20.14 H new ATOM 0 HH21 ARG A 83 16.180 18.750 15.509 1.00 15.30 H new ATOM 0 HH22 ARG A 83 16.061 18.520 17.256 1.00 15.30 H new ATOM 1306 N ALA A 84 11.394 24.379 12.813 1.00 12.14 N ATOM 1307 CA ALA A 84 10.162 25.087 13.125 1.00 60.24 C ATOM 1308 C ALA A 84 9.467 25.594 11.866 1.00 70.42 C ATOM 1309 O ALA A 84 8.249 25.464 11.727 1.00 23.24 O ATOM 1310 CB ALA A 84 10.448 26.244 14.071 1.00 63.52 C ATOM 0 H ALA A 84 12.235 24.815 13.191 1.00 12.14 H new ATOM 0 HA ALA A 84 9.488 24.382 13.612 1.00 60.24 H new ATOM 0 HB1 ALA A 84 9.519 26.767 14.298 1.00 63.52 H new ATOM 0 HB2 ALA A 84 10.883 25.860 14.994 1.00 63.52 H new ATOM 0 HB3 ALA A 84 11.147 26.935 13.600 1.00 63.52 H new ATOM 1316 N ARG A 85 10.236 26.167 10.949 1.00 4.11 N ATOM 1317 CA ARG A 85 9.660 26.745 9.736 1.00 74.14 C ATOM 1318 C ARG A 85 9.256 25.666 8.726 1.00 31.20 C ATOM 1319 O ARG A 85 8.206 25.767 8.091 1.00 12.24 O ATOM 1320 CB ARG A 85 10.633 27.746 9.106 1.00 14.31 C ATOM 1321 CG ARG A 85 10.156 28.315 7.779 1.00 15.44 C ATOM 1322 CD ARG A 85 10.968 29.534 7.374 1.00 12.24 C ATOM 1323 NE ARG A 85 10.829 29.839 5.949 1.00 30.11 N ATOM 1324 CZ ARG A 85 10.924 31.063 5.430 1.00 74.23 C ATOM 1325 NH1 ARG A 85 10.998 32.130 6.214 1.00 74.02 N ATOM 1326 NH2 ARG A 85 10.913 31.215 4.114 1.00 62.23 N ATOM 0 H ARG A 85 11.251 26.245 11.018 1.00 4.11 H new ATOM 0 HA ARG A 85 8.751 27.274 10.022 1.00 74.14 H new ATOM 0 HB2 ARG A 85 10.798 28.567 9.804 1.00 14.31 H new ATOM 0 HB3 ARG A 85 11.596 27.257 8.956 1.00 14.31 H new ATOM 0 HG2 ARG A 85 10.233 27.551 7.005 1.00 15.44 H new ATOM 0 HG3 ARG A 85 9.103 28.586 7.855 1.00 15.44 H new ATOM 0 HD2 ARG A 85 10.647 30.394 7.961 1.00 12.24 H new ATOM 0 HD3 ARG A 85 12.019 29.363 7.607 1.00 12.24 H new ATOM 0 HE ARG A 85 10.648 29.064 5.311 1.00 30.11 H new ATOM 0 HH11 ARG A 85 10.983 32.020 7.228 1.00 74.02 H new ATOM 0 HH12 ARG A 85 11.070 33.061 5.803 1.00 74.02 H new ATOM 0 HH21 ARG A 85 10.832 30.399 3.507 1.00 62.23 H new ATOM 0 HH22 ARG A 85 10.985 32.148 3.708 1.00 62.23 H new ATOM 1340 N LEU A 86 10.075 24.629 8.592 1.00 63.41 N ATOM 1341 CA LEU A 86 9.801 23.560 7.631 1.00 3.23 C ATOM 1342 C LEU A 86 8.629 22.695 8.080 1.00 51.33 C ATOM 1343 O LEU A 86 7.905 22.153 7.246 1.00 11.12 O ATOM 1344 CB LEU A 86 11.046 22.689 7.416 1.00 64.25 C ATOM 1345 CG LEU A 86 11.954 23.102 6.250 1.00 51.31 C ATOM 1346 CD1 LEU A 86 11.304 22.760 4.920 1.00 63.43 C ATOM 1347 CD2 LEU A 86 12.276 24.589 6.308 1.00 3.31 C ATOM 0 H LEU A 86 10.931 24.503 9.132 1.00 63.41 H new ATOM 0 HA LEU A 86 9.533 24.032 6.685 1.00 3.23 H new ATOM 0 HB2 LEU A 86 11.636 22.698 8.333 1.00 64.25 H new ATOM 0 HB3 LEU A 86 10.724 21.660 7.255 1.00 64.25 H new ATOM 0 HG LEU A 86 12.887 22.545 6.339 1.00 51.31 H new ATOM 0 HD11 LEU A 86 11.963 23.060 4.105 1.00 63.43 H new ATOM 0 HD12 LEU A 86 11.128 21.686 4.867 1.00 63.43 H new ATOM 0 HD13 LEU A 86 10.355 23.288 4.832 1.00 63.43 H new ATOM 0 HD21 LEU A 86 12.921 24.855 5.470 1.00 3.31 H new ATOM 0 HD22 LEU A 86 11.352 25.164 6.251 1.00 3.31 H new ATOM 0 HD23 LEU A 86 12.786 24.815 7.244 1.00 3.31 H new ATOM 1359 N ALA A 87 8.435 22.585 9.391 1.00 64.31 N ATOM 1360 CA ALA A 87 7.354 21.773 9.947 1.00 55.30 C ATOM 1361 C ALA A 87 5.982 22.291 9.516 1.00 40.51 C ATOM 1362 O ALA A 87 5.007 21.538 9.483 1.00 60.31 O ATOM 1363 CB ALA A 87 7.447 21.726 11.464 1.00 2.20 C ATOM 0 H ALA A 87 9.014 23.049 10.091 1.00 64.31 H new ATOM 0 HA ALA A 87 7.467 20.762 9.555 1.00 55.30 H new ATOM 0 HB1 ALA A 87 6.634 21.117 11.860 1.00 2.20 H new ATOM 0 HB2 ALA A 87 8.402 21.290 11.757 1.00 2.20 H new ATOM 0 HB3 ALA A 87 7.371 22.737 11.865 1.00 2.20 H new ATOM 1369 N ALA A 88 5.913 23.576 9.183 1.00 12.20 N ATOM 1370 CA ALA A 88 4.660 24.201 8.771 1.00 35.54 C ATOM 1371 C ALA A 88 4.171 23.644 7.434 1.00 70.35 C ATOM 1372 O ALA A 88 2.983 23.715 7.119 1.00 34.21 O ATOM 1373 CB ALA A 88 4.828 25.711 8.688 1.00 1.20 C ATOM 0 H ALA A 88 6.714 24.208 9.190 1.00 12.20 H new ATOM 0 HA ALA A 88 3.906 23.969 9.523 1.00 35.54 H new ATOM 0 HB1 ALA A 88 3.886 26.165 8.380 1.00 1.20 H new ATOM 0 HB2 ALA A 88 5.116 26.099 9.665 1.00 1.20 H new ATOM 0 HB3 ALA A 88 5.603 25.951 7.960 1.00 1.20 H new ATOM 1379 N GLN A 89 5.091 23.084 6.657 1.00 43.22 N ATOM 1380 CA GLN A 89 4.749 22.488 5.369 1.00 34.15 C ATOM 1381 C GLN A 89 4.628 20.974 5.505 1.00 43.51 C ATOM 1382 O GLN A 89 4.438 20.257 4.518 1.00 25.11 O ATOM 1383 CB GLN A 89 5.806 22.840 4.313 1.00 71.20 C ATOM 1384 CG GLN A 89 5.609 24.201 3.650 1.00 64.44 C ATOM 1385 CD GLN A 89 5.586 25.357 4.634 1.00 71.20 C ATOM 1386 OE1 GLN A 89 4.526 25.751 5.122 1.00 75.44 O ATOM 1387 NE2 GLN A 89 6.751 25.908 4.930 1.00 62.23 N ATOM 0 H GLN A 89 6.081 23.030 6.896 1.00 43.22 H new ATOM 0 HA GLN A 89 3.789 22.892 5.046 1.00 34.15 H new ATOM 0 HB2 GLN A 89 6.790 22.817 4.781 1.00 71.20 H new ATOM 0 HB3 GLN A 89 5.801 22.070 3.542 1.00 71.20 H new ATOM 0 HG2 GLN A 89 6.410 24.364 2.929 1.00 64.44 H new ATOM 0 HG3 GLN A 89 4.673 24.192 3.091 1.00 64.44 H new ATOM 0 HE21 GLN A 89 7.607 25.552 4.504 1.00 62.23 H new ATOM 0 HE22 GLN A 89 6.794 26.689 5.584 1.00 62.23 H new ATOM 1396 N GLY A 90 4.726 20.501 6.738 1.00 41.15 N ATOM 1397 CA GLY A 90 4.684 19.079 6.999 1.00 31.11 C ATOM 1398 C GLY A 90 6.010 18.581 7.528 1.00 31.14 C ATOM 1399 O GLY A 90 7.038 19.226 7.331 1.00 41.14 O ATOM 0 H GLY A 90 4.835 21.083 7.569 1.00 41.15 H new ATOM 0 HA2 GLY A 90 3.897 18.862 7.721 1.00 31.11 H new ATOM 0 HA3 GLY A 90 4.432 18.546 6.083 1.00 31.11 H new ATOM 1403 N TRP A 91 6.000 17.445 8.203 1.00 1.05 N ATOM 1404 CA TRP A 91 7.228 16.886 8.739 1.00 21.13 C ATOM 1405 C TRP A 91 7.288 15.386 8.467 1.00 24.15 C ATOM 1406 O TRP A 91 6.737 14.581 9.220 1.00 54.32 O ATOM 1407 CB TRP A 91 7.340 17.170 10.240 1.00 54.31 C ATOM 1408 CG TRP A 91 8.727 16.981 10.773 1.00 20.42 C ATOM 1409 CD1 TRP A 91 9.180 15.947 11.541 1.00 65.12 C ATOM 1410 CD2 TRP A 91 9.844 17.853 10.571 1.00 12.15 C ATOM 1411 NE1 TRP A 91 10.512 16.126 11.830 1.00 72.51 N ATOM 1412 CE2 TRP A 91 10.942 17.288 11.244 1.00 54.41 C ATOM 1413 CE3 TRP A 91 10.022 19.057 9.884 1.00 43.04 C ATOM 1414 CZ2 TRP A 91 12.198 17.886 11.252 1.00 22.23 C ATOM 1415 CZ3 TRP A 91 11.269 19.650 9.892 1.00 21.42 C ATOM 1416 CH2 TRP A 91 12.344 19.062 10.570 1.00 15.43 C ATOM 0 H TRP A 91 5.162 16.895 8.392 1.00 1.05 H new ATOM 0 HA TRP A 91 8.073 17.361 8.241 1.00 21.13 H new ATOM 0 HB2 TRP A 91 7.019 18.193 10.435 1.00 54.31 H new ATOM 0 HB3 TRP A 91 6.657 16.513 10.780 1.00 54.31 H new ATOM 0 HD1 TRP A 91 8.581 15.112 11.872 1.00 65.12 H new ATOM 0 HE1 TRP A 91 11.087 15.496 12.390 1.00 72.51 H new ATOM 0 HE3 TRP A 91 9.199 19.515 9.356 1.00 43.04 H new ATOM 0 HZ2 TRP A 91 13.028 17.438 11.778 1.00 22.23 H new ATOM 0 HZ3 TRP A 91 11.418 20.582 9.367 1.00 21.42 H new ATOM 0 HH2 TRP A 91 13.309 19.548 10.554 1.00 15.43 H new ATOM 1427 N PRO A 92 7.948 14.997 7.367 1.00 64.14 N ATOM 1428 CA PRO A 92 8.048 13.600 6.950 1.00 60.55 C ATOM 1429 C PRO A 92 9.198 12.855 7.628 1.00 0.42 C ATOM 1430 O PRO A 92 9.618 11.793 7.170 1.00 12.41 O ATOM 1431 CB PRO A 92 8.289 13.712 5.445 1.00 45.11 C ATOM 1432 CG PRO A 92 8.984 15.022 5.249 1.00 23.52 C ATOM 1433 CD PRO A 92 8.636 15.899 6.428 1.00 20.11 C ATOM 0 HA PRO A 92 7.160 13.028 7.220 1.00 60.55 H new ATOM 0 HB2 PRO A 92 8.900 12.885 5.083 1.00 45.11 H new ATOM 0 HB3 PRO A 92 7.349 13.680 4.893 1.00 45.11 H new ATOM 0 HG2 PRO A 92 10.062 14.878 5.183 1.00 23.52 H new ATOM 0 HG3 PRO A 92 8.667 15.489 4.317 1.00 23.52 H new ATOM 0 HD2 PRO A 92 9.529 16.333 6.877 1.00 20.11 H new ATOM 0 HD3 PRO A 92 7.993 16.728 6.131 1.00 20.11 H new ATOM 1441 N LEU A 93 9.701 13.411 8.722 1.00 21.21 N ATOM 1442 CA LEU A 93 10.770 12.770 9.480 1.00 44.02 C ATOM 1443 C LEU A 93 10.198 12.006 10.664 1.00 73.14 C ATOM 1444 O LEU A 93 10.926 11.619 11.573 1.00 62.40 O ATOM 1445 CB LEU A 93 11.802 13.791 9.967 1.00 23.12 C ATOM 1446 CG LEU A 93 12.831 14.246 8.928 1.00 64.11 C ATOM 1447 CD1 LEU A 93 12.174 15.056 7.823 1.00 64.22 C ATOM 1448 CD2 LEU A 93 13.935 15.051 9.593 1.00 63.12 C ATOM 0 H LEU A 93 9.387 14.303 9.105 1.00 21.21 H new ATOM 0 HA LEU A 93 11.273 12.071 8.812 1.00 44.02 H new ATOM 0 HB2 LEU A 93 11.271 14.669 10.334 1.00 23.12 H new ATOM 0 HB3 LEU A 93 12.335 13.364 10.816 1.00 23.12 H new ATOM 0 HG LEU A 93 13.270 13.356 8.476 1.00 64.11 H new ATOM 0 HD11 LEU A 93 12.929 15.365 7.100 1.00 64.22 H new ATOM 0 HD12 LEU A 93 11.421 14.446 7.323 1.00 64.22 H new ATOM 0 HD13 LEU A 93 11.699 15.939 8.252 1.00 64.22 H new ATOM 0 HD21 LEU A 93 14.658 15.367 8.841 1.00 63.12 H new ATOM 0 HD22 LEU A 93 13.505 15.929 10.075 1.00 63.12 H new ATOM 0 HD23 LEU A 93 14.435 14.435 10.341 1.00 63.12 H new ATOM 1460 N ASP A 94 8.895 11.791 10.641 1.00 75.24 N ATOM 1461 CA ASP A 94 8.227 11.006 11.669 1.00 4.40 C ATOM 1462 C ASP A 94 8.369 9.524 11.348 1.00 41.41 C ATOM 1463 O ASP A 94 7.749 9.022 10.406 1.00 14.45 O ATOM 1464 CB ASP A 94 6.749 11.395 11.747 1.00 63.34 C ATOM 1465 CG ASP A 94 5.996 10.663 12.839 1.00 62.41 C ATOM 1466 OD1 ASP A 94 5.450 9.572 12.574 1.00 74.41 O ATOM 1467 OD2 ASP A 94 5.926 11.188 13.968 1.00 43.30 O ATOM 0 H ASP A 94 8.273 12.151 9.917 1.00 75.24 H new ATOM 0 HA ASP A 94 8.689 11.207 12.636 1.00 4.40 H new ATOM 0 HB2 ASP A 94 6.671 12.469 11.918 1.00 63.34 H new ATOM 0 HB3 ASP A 94 6.275 11.190 10.787 1.00 63.34 H new ATOM 1472 N ASP A 95 9.214 8.835 12.098 1.00 73.02 N ATOM 1473 CA ASP A 95 9.475 7.427 11.835 1.00 2.34 C ATOM 1474 C ASP A 95 8.861 6.549 12.919 1.00 51.34 C ATOM 1475 O ASP A 95 8.240 7.048 13.860 1.00 12.12 O ATOM 1476 CB ASP A 95 10.981 7.170 11.708 1.00 41.44 C ATOM 1477 CG ASP A 95 11.719 7.199 13.033 1.00 74.21 C ATOM 1478 OD1 ASP A 95 11.694 8.241 13.718 1.00 34.21 O ATOM 1479 OD2 ASP A 95 12.363 6.183 13.370 1.00 54.30 O ATOM 0 H ASP A 95 9.728 9.223 12.889 1.00 73.02 H new ATOM 0 HA ASP A 95 9.006 7.165 10.887 1.00 2.34 H new ATOM 0 HB2 ASP A 95 11.136 6.199 11.237 1.00 41.44 H new ATOM 0 HB3 ASP A 95 11.414 7.919 11.045 1.00 41.44 H new ATOM 1484 N VAL A 96 9.028 5.241 12.776 1.00 71.32 N ATOM 1485 CA VAL A 96 8.387 4.285 13.669 1.00 22.53 C ATOM 1486 C VAL A 96 9.139 4.166 14.993 1.00 14.41 C ATOM 1487 O VAL A 96 10.364 4.044 15.016 1.00 35.44 O ATOM 1488 CB VAL A 96 8.290 2.891 13.012 1.00 52.40 C ATOM 1489 CG1 VAL A 96 7.587 1.900 13.931 1.00 14.32 C ATOM 1490 CG2 VAL A 96 7.576 2.979 11.672 1.00 21.21 C ATOM 0 H VAL A 96 9.603 4.817 12.048 1.00 71.32 H new ATOM 0 HA VAL A 96 7.383 4.660 13.867 1.00 22.53 H new ATOM 0 HB VAL A 96 9.304 2.529 12.840 1.00 52.40 H new ATOM 0 HG11 VAL A 96 7.533 0.927 13.443 1.00 14.32 H new ATOM 0 HG12 VAL A 96 8.146 1.808 14.862 1.00 14.32 H new ATOM 0 HG13 VAL A 96 6.579 2.255 14.146 1.00 14.32 H new ATOM 0 HG21 VAL A 96 7.518 1.987 11.225 1.00 21.21 H new ATOM 0 HG22 VAL A 96 6.569 3.370 11.821 1.00 21.21 H new ATOM 0 HG23 VAL A 96 8.129 3.644 11.008 1.00 21.21 H new ATOM 1500 N ARG A 97 8.394 4.205 16.089 1.00 41.12 N ATOM 1501 CA ARG A 97 8.967 4.030 17.417 1.00 64.31 C ATOM 1502 C ARG A 97 8.143 3.022 18.213 1.00 4.21 C ATOM 1503 O ARG A 97 7.299 2.324 17.648 1.00 42.12 O ATOM 1504 CB ARG A 97 9.069 5.366 18.171 1.00 63.00 C ATOM 1505 CG ARG A 97 7.760 6.133 18.312 1.00 70.22 C ATOM 1506 CD ARG A 97 7.435 6.935 17.063 1.00 74.05 C ATOM 1507 NE ARG A 97 6.264 7.792 17.250 1.00 74.14 N ATOM 1508 CZ ARG A 97 5.721 8.529 16.280 1.00 21.31 C ATOM 1509 NH1 ARG A 97 6.220 8.484 15.051 1.00 42.30 N ATOM 1510 NH2 ARG A 97 4.674 9.305 16.539 1.00 4.22 N ATOM 0 H ARG A 97 7.385 4.357 16.084 1.00 41.12 H new ATOM 0 HA ARG A 97 9.980 3.646 17.300 1.00 64.31 H new ATOM 0 HB2 ARG A 97 9.468 5.173 19.167 1.00 63.00 H new ATOM 0 HB3 ARG A 97 9.790 6.001 17.656 1.00 63.00 H new ATOM 0 HG2 ARG A 97 6.949 5.433 18.515 1.00 70.22 H new ATOM 0 HG3 ARG A 97 7.823 6.805 19.168 1.00 70.22 H new ATOM 0 HD2 ARG A 97 8.294 7.549 16.793 1.00 74.05 H new ATOM 0 HD3 ARG A 97 7.256 6.254 16.231 1.00 74.05 H new ATOM 0 HE ARG A 97 5.838 7.828 18.176 1.00 74.14 H new ATOM 0 HH11 ARG A 97 7.020 7.885 14.847 1.00 42.30 H new ATOM 0 HH12 ARG A 97 5.803 9.048 14.310 1.00 42.30 H new ATOM 0 HH21 ARG A 97 4.284 9.338 17.481 1.00 4.22 H new ATOM 0 HH22 ARG A 97 4.260 9.868 15.796 1.00 4.22 H new ATOM 1524 N ASP A 98 8.401 2.940 19.515 1.00 14.21 N ATOM 1525 CA ASP A 98 7.724 1.975 20.382 1.00 30.32 C ATOM 1526 C ASP A 98 6.220 2.209 20.424 1.00 50.43 C ATOM 1527 O ASP A 98 5.754 3.275 20.825 1.00 33.41 O ATOM 1528 CB ASP A 98 8.287 2.027 21.805 1.00 32.43 C ATOM 1529 CG ASP A 98 9.672 1.429 21.911 1.00 72.12 C ATOM 1530 OD1 ASP A 98 9.783 0.209 22.158 1.00 71.52 O ATOM 1531 OD2 ASP A 98 10.658 2.174 21.746 1.00 23.42 O ATOM 0 H ASP A 98 9.077 3.533 19.997 1.00 14.21 H new ATOM 0 HA ASP A 98 7.907 0.988 19.957 1.00 30.32 H new ATOM 0 HB2 ASP A 98 8.317 3.064 22.141 1.00 32.43 H new ATOM 0 HB3 ASP A 98 7.614 1.494 22.477 1.00 32.43 H new ATOM 1536 N ARG A 99 5.475 1.207 19.981 1.00 40.24 N ATOM 1537 CA ARG A 99 4.023 1.218 20.060 1.00 32.23 C ATOM 1538 C ARG A 99 3.541 -0.194 20.374 1.00 22.32 C ATOM 1539 O ARG A 99 2.476 -0.617 19.935 1.00 1.10 O ATOM 1540 CB ARG A 99 3.419 1.701 18.735 1.00 64.42 C ATOM 1541 CG ARG A 99 2.254 2.676 18.887 1.00 3.52 C ATOM 1542 CD ARG A 99 1.055 2.060 19.602 1.00 23.24 C ATOM 1543 NE ARG A 99 0.440 0.970 18.841 1.00 64.52 N ATOM 1544 CZ ARG A 99 -0.676 0.339 19.211 1.00 3.44 C ATOM 1545 NH1 ARG A 99 -1.295 0.683 20.332 1.00 14.30 N ATOM 1546 NH2 ARG A 99 -1.158 -0.653 18.477 1.00 71.43 N ATOM 0 H ARG A 99 5.861 0.364 19.557 1.00 40.24 H new ATOM 0 HA ARG A 99 3.704 1.902 20.847 1.00 32.23 H new ATOM 0 HB2 ARG A 99 4.202 2.179 18.147 1.00 64.42 H new ATOM 0 HB3 ARG A 99 3.079 0.834 18.168 1.00 64.42 H new ATOM 0 HG2 ARG A 99 2.590 3.553 19.441 1.00 3.52 H new ATOM 0 HG3 ARG A 99 1.945 3.021 17.901 1.00 3.52 H new ATOM 0 HD2 ARG A 99 1.371 1.684 20.575 1.00 23.24 H new ATOM 0 HD3 ARG A 99 0.310 2.834 19.786 1.00 23.24 H new ATOM 0 HE ARG A 99 0.892 0.675 17.976 1.00 64.52 H new ATOM 0 HH11 ARG A 99 -0.918 1.431 20.914 1.00 14.30 H new ATOM 0 HH12 ARG A 99 -2.148 0.199 20.613 1.00 14.30 H new ATOM 0 HH21 ARG A 99 -0.676 -0.938 17.625 1.00 71.43 H new ATOM 0 HH22 ARG A 99 -2.011 -1.132 18.764 1.00 71.43 H new ATOM 1560 N GLU A 100 4.336 -0.929 21.140 1.00 14.13 N ATOM 1561 CA GLU A 100 3.991 -2.303 21.466 1.00 21.13 C ATOM 1562 C GLU A 100 2.927 -2.353 22.559 1.00 70.42 C ATOM 1563 O GLU A 100 3.223 -2.463 23.751 1.00 75.53 O ATOM 1564 CB GLU A 100 5.230 -3.116 21.861 1.00 10.32 C ATOM 1565 CG GLU A 100 6.059 -2.505 22.978 1.00 41.30 C ATOM 1566 CD GLU A 100 7.158 -3.437 23.438 1.00 40.11 C ATOM 1567 OE1 GLU A 100 6.876 -4.346 24.246 1.00 2.33 O ATOM 1568 OE2 GLU A 100 8.308 -3.280 22.978 1.00 63.33 O ATOM 0 H GLU A 100 5.214 -0.601 21.542 1.00 14.13 H new ATOM 0 HA GLU A 100 3.574 -2.761 20.569 1.00 21.13 H new ATOM 0 HB2 GLU A 100 4.912 -4.113 22.166 1.00 10.32 H new ATOM 0 HB3 GLU A 100 5.863 -3.239 20.982 1.00 10.32 H new ATOM 0 HG2 GLU A 100 6.497 -1.568 22.634 1.00 41.30 H new ATOM 0 HG3 GLU A 100 5.411 -2.263 23.821 1.00 41.30 H new ATOM 1575 N GLU A 101 1.684 -2.218 22.140 1.00 40.31 N ATOM 1576 CA GLU A 101 0.552 -2.353 23.034 1.00 43.23 C ATOM 1577 C GLU A 101 -0.292 -3.533 22.589 1.00 61.40 C ATOM 1578 O GLU A 101 -0.078 -4.077 21.503 1.00 65.34 O ATOM 1579 CB GLU A 101 -0.288 -1.075 23.042 1.00 33.35 C ATOM 1580 CG GLU A 101 0.482 0.163 23.468 1.00 52.03 C ATOM 1581 CD GLU A 101 -0.387 1.400 23.496 1.00 24.22 C ATOM 1582 OE1 GLU A 101 -1.012 1.667 24.544 1.00 41.45 O ATOM 1583 OE2 GLU A 101 -0.451 2.113 22.472 1.00 45.10 O ATOM 0 H GLU A 101 1.431 -2.012 21.173 1.00 40.31 H new ATOM 0 HA GLU A 101 0.915 -2.522 24.048 1.00 43.23 H new ATOM 0 HB2 GLU A 101 -0.695 -0.913 22.044 1.00 33.35 H new ATOM 0 HB3 GLU A 101 -1.136 -1.213 23.713 1.00 33.35 H new ATOM 0 HG2 GLU A 101 0.909 -0.000 24.457 1.00 52.03 H new ATOM 0 HG3 GLU A 101 1.315 0.323 22.784 1.00 52.03 H new ATOM 1590 N HIS A 102 -1.248 -3.926 23.413 1.00 21.45 N ATOM 1591 CA HIS A 102 -2.096 -5.062 23.089 1.00 25.33 C ATOM 1592 C HIS A 102 -3.289 -4.597 22.261 1.00 50.12 C ATOM 1593 O HIS A 102 -4.100 -5.399 21.802 1.00 63.21 O ATOM 1594 CB HIS A 102 -2.565 -5.756 24.369 1.00 45.51 C ATOM 1595 CG HIS A 102 -2.898 -7.202 24.175 1.00 1.23 C ATOM 1596 ND1 HIS A 102 -1.934 -8.182 24.086 1.00 23.13 N ATOM 1597 CD2 HIS A 102 -4.088 -7.835 24.053 1.00 10.20 C ATOM 1598 CE1 HIS A 102 -2.513 -9.352 23.919 1.00 13.04 C ATOM 1599 NE2 HIS A 102 -3.819 -9.170 23.898 1.00 5.31 N ATOM 0 H HIS A 102 -1.456 -3.479 24.306 1.00 21.45 H new ATOM 0 HA HIS A 102 -1.522 -5.780 22.503 1.00 25.33 H new ATOM 0 HB2 HIS A 102 -1.786 -5.669 25.127 1.00 45.51 H new ATOM 0 HB3 HIS A 102 -3.443 -5.237 24.754 1.00 45.51 H new ATOM 0 HD2 HIS A 102 -5.065 -7.375 24.074 1.00 10.20 H new ATOM 0 HE1 HIS A 102 -2.005 -10.300 23.817 1.00 13.04 H new ATOM 0 HE2 HIS A 102 -4.517 -9.905 23.785 1.00 5.31 H new ATOM 1608 N ALA A 103 -3.379 -3.290 22.080 1.00 73.32 N ATOM 1609 CA ALA A 103 -4.419 -2.688 21.271 1.00 31.42 C ATOM 1610 C ALA A 103 -3.835 -1.543 20.458 1.00 64.31 C ATOM 1611 O ALA A 103 -3.599 -0.466 21.036 1.00 52.35 O ATOM 1612 CB ALA A 103 -5.563 -2.197 22.149 1.00 51.41 C ATOM 1613 OXT ALA A 103 -3.587 -1.725 19.249 1.00 0.00 O ATOM 0 H ALA A 103 -2.731 -2.618 22.491 1.00 73.32 H new ATOM 0 HA ALA A 103 -4.818 -3.438 20.588 1.00 31.42 H new ATOM 0 HB1 ALA A 103 -6.335 -1.748 21.524 1.00 51.41 H new ATOM 0 HB2 ALA A 103 -5.986 -3.037 22.700 1.00 51.41 H new ATOM 0 HB3 ALA A 103 -5.188 -1.454 22.853 1.00 51.41 H new TER 1619 ALA A 103