USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 815 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 58 ASN : amide:sc= -2.89 K(o=-2.9,f=-5!) USER MOD Set 1.2: A 59 SER OG : rot 80:sc= 0.0322 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 0 (180deg=-0.0981) USER MOD Single : A 4 SER OG : rot -48:sc= 1.07 USER MOD Single : A 9 THR OG1 : rot 73:sc= 0.743 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.241 K(o=-0.24,f=-1.9!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= -0.96 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 140:sc= -0.975 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.531 X(o=-0.53,f=-0.34) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -167:sc= 0 (180deg=-0.292) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 132:sc= -0.0683 USER MOD Single : A 95 GLN : amide:sc= -0.0334 K(o=-0.033,f=-0.81) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0608 USER MOD Single : A 109 ASN : amide:sc= -0.143 K(o=-0.14,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.340 0.421 -0.210 1.00 52.03 N ATOM 2 CA MET A 1 3.212 -0.067 -1.272 1.00 24.42 C ATOM 3 C MET A 1 2.397 -0.677 -2.408 1.00 45.22 C ATOM 4 O MET A 1 2.767 -1.712 -2.963 1.00 41.14 O ATOM 5 CB MET A 1 4.193 -1.104 -0.719 1.00 51.50 C ATOM 6 CG MET A 1 5.393 -1.345 -1.620 1.00 23.43 C ATOM 7 SD MET A 1 6.860 -1.851 -0.701 1.00 61.11 S ATOM 8 CE MET A 1 6.494 -3.579 -0.403 1.00 41.03 C ATOM 0 H1 MET A 1 2.911 0.659 0.626 1.00 52.03 H new ATOM 0 H2 MET A 1 1.835 1.269 -0.538 1.00 52.03 H new ATOM 0 H3 MET A 1 1.651 -0.317 0.040 1.00 52.03 H new ATOM 0 HA MET A 1 3.773 0.781 -1.666 1.00 24.42 H new ATOM 0 HB2 MET A 1 4.544 -0.775 0.259 1.00 51.50 H new ATOM 0 HB3 MET A 1 3.666 -2.047 -0.569 1.00 51.50 H new ATOM 0 HG2 MET A 1 5.144 -2.113 -2.352 1.00 23.43 H new ATOM 0 HG3 MET A 1 5.614 -0.434 -2.176 1.00 23.43 H new ATOM 0 HE1 MET A 1 7.311 -4.033 0.158 1.00 41.03 H new ATOM 0 HE2 MET A 1 5.571 -3.662 0.170 1.00 41.03 H new ATOM 0 HE3 MET A 1 6.377 -4.096 -1.356 1.00 41.03 H new ATOM 18 N ILE A 2 1.288 -0.029 -2.748 1.00 63.13 N ATOM 19 CA ILE A 2 0.423 -0.508 -3.819 1.00 14.21 C ATOM 20 C ILE A 2 0.085 0.613 -4.796 1.00 10.54 C ATOM 21 O ILE A 2 -1.042 1.107 -4.848 1.00 21.33 O ATOM 22 CB ILE A 2 -0.886 -1.100 -3.263 1.00 23.14 C ATOM 23 CG1 ILE A 2 -1.515 -0.141 -2.250 1.00 54.14 C ATOM 24 CG2 ILE A 2 -0.624 -2.456 -2.624 1.00 2.21 C ATOM 25 CD1 ILE A 2 -3.028 -0.171 -2.250 1.00 2.24 C ATOM 0 H ILE A 2 0.968 0.828 -2.298 1.00 63.13 H new ATOM 0 HA ILE A 2 0.973 -1.290 -4.343 1.00 14.21 H new ATOM 0 HB ILE A 2 -1.585 -1.237 -4.088 1.00 23.14 H new ATOM 0 HG12 ILE A 2 -1.154 -0.391 -1.252 1.00 54.14 H new ATOM 0 HG13 ILE A 2 -1.180 0.874 -2.465 1.00 54.14 H new ATOM 0 HG21 ILE A 2 -1.558 -2.862 -2.236 1.00 2.21 H new ATOM 0 HG22 ILE A 2 -0.215 -3.137 -3.370 1.00 2.21 H new ATOM 0 HG23 ILE A 2 0.089 -2.342 -1.808 1.00 2.21 H new ATOM 0 HD11 ILE A 2 -3.406 0.533 -1.508 1.00 2.24 H new ATOM 0 HD12 ILE A 2 -3.397 0.108 -3.237 1.00 2.24 H new ATOM 0 HD13 ILE A 2 -3.372 -1.176 -2.005 1.00 2.24 H new ATOM 37 N PRO A 3 1.083 1.026 -5.591 1.00 2.01 N ATOM 38 CA PRO A 3 0.916 2.092 -6.583 1.00 10.20 C ATOM 39 C PRO A 3 0.032 1.665 -7.750 1.00 30.13 C ATOM 40 O PRO A 3 0.052 0.506 -8.164 1.00 41.12 O ATOM 41 CB PRO A 3 2.345 2.357 -7.064 1.00 30.33 C ATOM 42 CG PRO A 3 3.070 1.079 -6.818 1.00 21.23 C ATOM 43 CD PRO A 3 2.452 0.483 -5.583 1.00 70.02 C ATOM 0 HA PRO A 3 0.425 2.968 -6.160 1.00 10.20 H new ATOM 0 HB2 PRO A 3 2.364 2.626 -8.120 1.00 30.33 H new ATOM 0 HB3 PRO A 3 2.800 3.182 -6.517 1.00 30.33 H new ATOM 0 HG2 PRO A 3 2.971 0.404 -7.668 1.00 21.23 H new ATOM 0 HG3 PRO A 3 4.136 1.256 -6.674 1.00 21.23 H new ATOM 0 HD2 PRO A 3 2.452 -0.606 -5.619 1.00 70.02 H new ATOM 0 HD3 PRO A 3 2.994 0.772 -4.683 1.00 70.02 H new ATOM 51 N SER A 4 -0.743 2.608 -8.275 1.00 41.25 N ATOM 52 CA SER A 4 -1.637 2.328 -9.393 1.00 0.11 C ATOM 53 C SER A 4 -2.570 1.166 -9.064 1.00 44.23 C ATOM 54 O SER A 4 -2.960 0.400 -9.945 1.00 52.25 O ATOM 55 CB SER A 4 -0.829 2.008 -10.652 1.00 51.00 C ATOM 56 OG SER A 4 -1.682 1.754 -11.754 1.00 74.25 O ATOM 0 H SER A 4 -0.770 3.573 -7.945 1.00 41.25 H new ATOM 0 HA SER A 4 -2.242 3.217 -9.575 1.00 0.11 H new ATOM 0 HB2 SER A 4 -0.167 2.842 -10.885 1.00 51.00 H new ATOM 0 HB3 SER A 4 -0.196 1.140 -10.471 1.00 51.00 H new ATOM 0 HG SER A 4 -2.379 1.118 -11.489 1.00 74.25 H new ATOM 62 N PHE A 5 -2.923 1.042 -7.789 1.00 63.32 N ATOM 63 CA PHE A 5 -3.809 -0.027 -7.342 1.00 43.12 C ATOM 64 C PHE A 5 -3.340 -1.379 -7.871 1.00 62.21 C ATOM 65 O PHE A 5 -3.789 -1.836 -8.922 1.00 20.33 O ATOM 66 CB PHE A 5 -5.242 0.244 -7.803 1.00 14.32 C ATOM 67 CG PHE A 5 -6.162 0.656 -6.689 1.00 32.41 C ATOM 68 CD1 PHE A 5 -7.409 0.068 -6.550 1.00 14.40 C ATOM 69 CD2 PHE A 5 -5.780 1.630 -5.781 1.00 43.00 C ATOM 70 CE1 PHE A 5 -8.258 0.444 -5.526 1.00 12.32 C ATOM 71 CE2 PHE A 5 -6.624 2.010 -4.755 1.00 20.33 C ATOM 72 CZ PHE A 5 -7.865 1.417 -4.628 1.00 11.03 C ATOM 0 H PHE A 5 -2.609 1.668 -7.047 1.00 63.32 H new ATOM 0 HA PHE A 5 -3.784 -0.054 -6.253 1.00 43.12 H new ATOM 0 HB2 PHE A 5 -5.229 1.027 -8.561 1.00 14.32 H new ATOM 0 HB3 PHE A 5 -5.638 -0.654 -8.278 1.00 14.32 H new ATOM 0 HD1 PHE A 5 -7.721 -0.693 -7.250 1.00 14.40 H new ATOM 0 HD2 PHE A 5 -4.811 2.098 -5.876 1.00 43.00 H new ATOM 0 HE1 PHE A 5 -9.227 -0.022 -5.428 1.00 12.32 H new ATOM 0 HE2 PHE A 5 -6.314 2.770 -4.053 1.00 20.33 H new ATOM 0 HZ PHE A 5 -8.527 1.714 -3.828 1.00 11.03 H new ATOM 82 N ALA A 6 -2.433 -2.014 -7.135 1.00 50.52 N ATOM 83 CA ALA A 6 -1.904 -3.313 -7.528 1.00 62.53 C ATOM 84 C ALA A 6 -1.138 -3.220 -8.844 1.00 14.41 C ATOM 85 O ALA A 6 -1.665 -3.508 -9.918 1.00 74.35 O ATOM 86 CB ALA A 6 -3.031 -4.330 -7.642 1.00 44.54 C ATOM 0 H ALA A 6 -2.050 -1.649 -6.263 1.00 50.52 H new ATOM 0 HA ALA A 6 -1.209 -3.642 -6.756 1.00 62.53 H new ATOM 0 HB1 ALA A 6 -2.621 -5.296 -7.936 1.00 44.54 H new ATOM 0 HB2 ALA A 6 -3.532 -4.427 -6.679 1.00 44.54 H new ATOM 0 HB3 ALA A 6 -3.748 -3.996 -8.392 1.00 44.54 H new ATOM 92 N PRO A 7 0.135 -2.806 -8.761 1.00 13.45 N ATOM 93 CA PRO A 7 1.000 -2.664 -9.936 1.00 14.14 C ATOM 94 C PRO A 7 1.375 -4.010 -10.545 1.00 75.42 C ATOM 95 O PRO A 7 1.923 -4.879 -9.867 1.00 53.54 O ATOM 96 CB PRO A 7 2.242 -1.964 -9.379 1.00 61.32 C ATOM 97 CG PRO A 7 2.267 -2.328 -7.935 1.00 14.34 C ATOM 98 CD PRO A 7 0.828 -2.445 -7.513 1.00 0.54 C ATOM 0 HA PRO A 7 0.509 -2.115 -10.740 1.00 14.14 H new ATOM 0 HB2 PRO A 7 3.146 -2.299 -9.887 1.00 61.32 H new ATOM 0 HB3 PRO A 7 2.182 -0.884 -9.514 1.00 61.32 H new ATOM 0 HG2 PRO A 7 2.797 -3.267 -7.778 1.00 14.34 H new ATOM 0 HG3 PRO A 7 2.785 -1.568 -7.350 1.00 14.34 H new ATOM 0 HD2 PRO A 7 0.695 -3.207 -6.745 1.00 0.54 H new ATOM 0 HD3 PRO A 7 0.452 -1.508 -7.101 1.00 0.54 H new ATOM 106 N GLY A 8 1.075 -4.177 -11.830 1.00 23.40 N ATOM 107 CA GLY A 8 1.389 -5.421 -12.509 1.00 52.01 C ATOM 108 C GLY A 8 0.148 -6.153 -12.980 1.00 31.21 C ATOM 109 O GLY A 8 0.187 -7.357 -13.237 1.00 45.13 O ATOM 0 H GLY A 8 0.621 -3.474 -12.412 1.00 23.40 H new ATOM 0 HA2 GLY A 8 2.031 -5.212 -13.365 1.00 52.01 H new ATOM 0 HA3 GLY A 8 1.954 -6.066 -11.836 1.00 52.01 H new ATOM 113 N THR A 9 -0.960 -5.426 -13.092 1.00 23.41 N ATOM 114 CA THR A 9 -2.219 -6.014 -13.532 1.00 25.52 C ATOM 115 C THR A 9 -2.408 -5.848 -15.035 1.00 44.32 C ATOM 116 O THR A 9 -2.211 -4.760 -15.579 1.00 60.22 O ATOM 117 CB THR A 9 -3.419 -5.383 -12.802 1.00 20.13 C ATOM 118 OG1 THR A 9 -3.062 -5.072 -11.450 1.00 50.13 O ATOM 119 CG2 THR A 9 -4.614 -6.324 -12.812 1.00 13.10 C ATOM 0 H THR A 9 -1.010 -4.429 -12.884 1.00 23.41 H new ATOM 0 HA THR A 9 -2.173 -7.076 -13.290 1.00 25.52 H new ATOM 0 HB THR A 9 -3.693 -4.467 -13.325 1.00 20.13 H new ATOM 0 HG1 THR A 9 -2.465 -4.295 -11.440 1.00 50.13 H new ATOM 0 HG21 THR A 9 -5.449 -5.857 -12.291 1.00 13.10 H new ATOM 0 HG22 THR A 9 -4.902 -6.536 -13.842 1.00 13.10 H new ATOM 0 HG23 THR A 9 -4.348 -7.255 -12.311 1.00 13.10 H new ATOM 127 N LEU A 10 -2.791 -6.931 -15.702 1.00 42.32 N ATOM 128 CA LEU A 10 -3.008 -6.904 -17.145 1.00 24.15 C ATOM 129 C LEU A 10 -4.474 -6.637 -17.470 1.00 4.30 C ATOM 130 O LEU A 10 -5.364 -7.348 -17.004 1.00 2.13 O ATOM 131 CB LEU A 10 -2.568 -8.229 -17.771 1.00 2.43 C ATOM 132 CG LEU A 10 -2.266 -8.195 -19.269 1.00 61.04 C ATOM 133 CD1 LEU A 10 -1.534 -9.458 -19.695 1.00 25.12 C ATOM 134 CD2 LEU A 10 -3.550 -8.026 -20.068 1.00 61.04 C ATOM 0 H LEU A 10 -2.958 -7.839 -15.267 1.00 42.32 H new ATOM 0 HA LEU A 10 -2.409 -6.095 -17.563 1.00 24.15 H new ATOM 0 HB2 LEU A 10 -1.677 -8.576 -17.249 1.00 2.43 H new ATOM 0 HB3 LEU A 10 -3.349 -8.968 -17.595 1.00 2.43 H new ATOM 0 HG LEU A 10 -1.621 -7.340 -19.471 1.00 61.04 H new ATOM 0 HD11 LEU A 10 -1.328 -9.416 -20.764 1.00 25.12 H new ATOM 0 HD12 LEU A 10 -0.595 -9.537 -19.147 1.00 25.12 H new ATOM 0 HD13 LEU A 10 -2.154 -10.328 -19.479 1.00 25.12 H new ATOM 0 HD21 LEU A 10 -3.316 -8.004 -21.132 1.00 61.04 H new ATOM 0 HD22 LEU A 10 -4.220 -8.861 -19.861 1.00 61.04 H new ATOM 0 HD23 LEU A 10 -4.035 -7.092 -19.784 1.00 61.04 H new ATOM 146 N VAL A 11 -4.718 -5.607 -18.275 1.00 64.51 N ATOM 147 CA VAL A 11 -6.075 -5.248 -18.666 1.00 54.11 C ATOM 148 C VAL A 11 -6.176 -5.037 -20.173 1.00 22.13 C ATOM 149 O VAL A 11 -5.200 -5.219 -20.901 1.00 53.42 O ATOM 150 CB VAL A 11 -6.547 -3.970 -17.947 1.00 45.44 C ATOM 151 CG1 VAL A 11 -6.738 -4.232 -16.461 1.00 73.15 C ATOM 152 CG2 VAL A 11 -5.557 -2.836 -18.174 1.00 34.32 C ATOM 0 H VAL A 11 -3.993 -5.007 -18.669 1.00 64.51 H new ATOM 0 HA VAL A 11 -6.718 -6.079 -18.375 1.00 54.11 H new ATOM 0 HB VAL A 11 -7.509 -3.673 -18.365 1.00 45.44 H new ATOM 0 HG11 VAL A 11 -7.071 -3.318 -15.970 1.00 73.15 H new ATOM 0 HG12 VAL A 11 -7.487 -5.012 -16.322 1.00 73.15 H new ATOM 0 HG13 VAL A 11 -5.793 -4.554 -16.024 1.00 73.15 H new ATOM 0 HG21 VAL A 11 -5.905 -1.940 -17.659 1.00 34.32 H new ATOM 0 HG22 VAL A 11 -4.580 -3.122 -17.784 1.00 34.32 H new ATOM 0 HG23 VAL A 11 -5.476 -2.632 -19.242 1.00 34.32 H new ATOM 162 N TRP A 12 -7.361 -4.653 -20.633 1.00 2.33 N ATOM 163 CA TRP A 12 -7.589 -4.416 -22.054 1.00 23.32 C ATOM 164 C TRP A 12 -7.957 -2.959 -22.311 1.00 73.41 C ATOM 165 O TRP A 12 -8.800 -2.390 -21.616 1.00 51.14 O ATOM 166 CB TRP A 12 -8.696 -5.335 -22.573 1.00 40.24 C ATOM 167 CG TRP A 12 -8.182 -6.628 -23.131 1.00 14.14 C ATOM 168 CD1 TRP A 12 -7.045 -6.810 -23.865 1.00 12.13 C ATOM 169 CD2 TRP A 12 -8.789 -7.918 -23.000 1.00 62.31 C ATOM 170 NE1 TRP A 12 -6.908 -8.136 -24.198 1.00 52.24 N ATOM 171 CE2 TRP A 12 -7.964 -8.837 -23.679 1.00 53.31 C ATOM 172 CE3 TRP A 12 -9.947 -8.388 -22.374 1.00 44.30 C ATOM 173 CZ2 TRP A 12 -8.264 -10.195 -23.749 1.00 45.43 C ATOM 174 CZ3 TRP A 12 -10.242 -9.736 -22.445 1.00 13.32 C ATOM 175 CH2 TRP A 12 -9.403 -10.627 -23.127 1.00 54.45 C ATOM 0 H TRP A 12 -8.179 -4.499 -20.043 1.00 2.33 H new ATOM 0 HA TRP A 12 -6.664 -4.636 -22.587 1.00 23.32 H new ATOM 0 HB2 TRP A 12 -9.391 -5.549 -21.761 1.00 40.24 H new ATOM 0 HB3 TRP A 12 -9.260 -4.812 -23.346 1.00 40.24 H new ATOM 0 HD1 TRP A 12 -6.355 -6.027 -24.143 1.00 12.13 H new ATOM 0 HE1 TRP A 12 -6.143 -8.534 -24.744 1.00 52.24 H new ATOM 0 HE3 TRP A 12 -10.599 -7.710 -21.844 1.00 44.30 H new ATOM 0 HZ2 TRP A 12 -7.620 -10.883 -24.276 1.00 45.43 H new ATOM 0 HZ3 TRP A 12 -11.135 -10.109 -21.966 1.00 13.32 H new ATOM 0 HH2 TRP A 12 -9.661 -11.675 -23.162 1.00 54.45 H new ATOM 186 N LEU A 13 -7.322 -2.361 -23.313 1.00 1.05 N ATOM 187 CA LEU A 13 -7.584 -0.969 -23.662 1.00 2.03 C ATOM 188 C LEU A 13 -8.201 -0.863 -25.053 1.00 31.34 C ATOM 189 O LEU A 13 -7.573 -1.216 -26.051 1.00 41.21 O ATOM 190 CB LEU A 13 -6.290 -0.156 -23.603 1.00 4.45 C ATOM 191 CG LEU A 13 -6.411 1.258 -23.033 1.00 40.43 C ATOM 192 CD1 LEU A 13 -5.569 1.401 -21.775 1.00 42.41 C ATOM 193 CD2 LEU A 13 -5.998 2.289 -24.074 1.00 11.33 C ATOM 0 H LEU A 13 -6.622 -2.818 -23.898 1.00 1.05 H new ATOM 0 HA LEU A 13 -8.293 -0.566 -22.939 1.00 2.03 H new ATOM 0 HB2 LEU A 13 -5.565 -0.707 -23.004 1.00 4.45 H new ATOM 0 HB3 LEU A 13 -5.882 -0.086 -24.611 1.00 4.45 H new ATOM 0 HG LEU A 13 -7.454 1.435 -22.769 1.00 40.43 H new ATOM 0 HD11 LEU A 13 -5.668 2.414 -21.384 1.00 42.41 H new ATOM 0 HD12 LEU A 13 -5.911 0.688 -21.025 1.00 42.41 H new ATOM 0 HD13 LEU A 13 -4.524 1.204 -22.013 1.00 42.41 H new ATOM 0 HD21 LEU A 13 -6.090 3.290 -23.652 1.00 11.33 H new ATOM 0 HD22 LEU A 13 -4.964 2.114 -24.369 1.00 11.33 H new ATOM 0 HD23 LEU A 13 -6.644 2.203 -24.948 1.00 11.33 H new ATOM 205 N LYS A 14 -9.435 -0.374 -25.111 1.00 1.31 N ATOM 206 CA LYS A 14 -10.137 -0.217 -26.379 1.00 73.41 C ATOM 207 C LYS A 14 -10.205 1.251 -26.786 1.00 51.01 C ATOM 208 O LYS A 14 -10.761 2.079 -26.065 1.00 31.33 O ATOM 209 CB LYS A 14 -11.551 -0.795 -26.277 1.00 62.23 C ATOM 210 CG LYS A 14 -12.160 -1.152 -27.622 1.00 54.20 C ATOM 211 CD LYS A 14 -13.054 -0.038 -28.142 1.00 70.30 C ATOM 212 CE LYS A 14 -14.509 -0.477 -28.210 1.00 62.12 C ATOM 213 NZ LYS A 14 -15.213 0.116 -29.380 1.00 41.35 N ATOM 0 H LYS A 14 -9.970 -0.079 -24.294 1.00 1.31 H new ATOM 0 HA LYS A 14 -9.582 -0.762 -27.143 1.00 73.41 H new ATOM 0 HB2 LYS A 14 -11.526 -1.687 -25.651 1.00 62.23 H new ATOM 0 HB3 LYS A 14 -12.195 -0.072 -25.776 1.00 62.23 H new ATOM 0 HG2 LYS A 14 -11.365 -1.348 -28.342 1.00 54.20 H new ATOM 0 HG3 LYS A 14 -12.739 -2.071 -27.528 1.00 54.20 H new ATOM 0 HD2 LYS A 14 -12.966 0.834 -27.493 1.00 70.30 H new ATOM 0 HD3 LYS A 14 -12.718 0.267 -29.133 1.00 70.30 H new ATOM 0 HE2 LYS A 14 -14.558 -1.564 -28.270 1.00 62.12 H new ATOM 0 HE3 LYS A 14 -15.020 -0.185 -27.292 1.00 62.12 H new ATOM 0 HZ1 LYS A 14 -16.201 -0.207 -29.391 1.00 41.35 H new ATOM 0 HZ2 LYS A 14 -15.189 1.153 -29.311 1.00 41.35 H new ATOM 0 HZ3 LYS A 14 -14.741 -0.183 -30.257 1.00 41.35 H new ATOM 227 N GLN A 15 -9.637 1.566 -27.946 1.00 33.21 N ATOM 228 CA GLN A 15 -9.635 2.935 -28.448 1.00 21.30 C ATOM 229 C GLN A 15 -11.015 3.327 -28.966 1.00 2.25 C ATOM 230 O GLN A 15 -11.958 2.538 -28.908 1.00 22.21 O ATOM 231 CB GLN A 15 -8.597 3.090 -29.560 1.00 44.45 C ATOM 232 CG GLN A 15 -7.481 4.065 -29.220 1.00 12.34 C ATOM 233 CD GLN A 15 -6.915 4.755 -30.445 1.00 4.43 C ATOM 234 OE1 GLN A 15 -7.625 4.994 -31.421 1.00 54.14 O ATOM 235 NE2 GLN A 15 -5.628 5.080 -30.399 1.00 41.54 N ATOM 0 H GLN A 15 -9.173 0.892 -28.555 1.00 33.21 H new ATOM 0 HA GLN A 15 -9.375 3.598 -27.623 1.00 21.30 H new ATOM 0 HB2 GLN A 15 -8.162 2.115 -29.778 1.00 44.45 H new ATOM 0 HB3 GLN A 15 -9.097 3.426 -30.468 1.00 44.45 H new ATOM 0 HG2 GLN A 15 -7.859 4.816 -28.527 1.00 12.34 H new ATOM 0 HG3 GLN A 15 -6.681 3.531 -28.707 1.00 12.34 H new ATOM 0 HE21 GLN A 15 -5.076 4.863 -29.569 1.00 41.54 H new ATOM 0 HE22 GLN A 15 -5.191 5.547 -31.194 1.00 41.54 H new ATOM 244 N ASP A 16 -11.126 4.551 -29.470 1.00 63.03 N ATOM 245 CA ASP A 16 -12.391 5.048 -29.999 1.00 5.31 C ATOM 246 C ASP A 16 -12.826 4.240 -31.217 1.00 62.21 C ATOM 247 O ASP A 16 -13.906 3.649 -31.229 1.00 1.14 O ATOM 248 CB ASP A 16 -12.266 6.527 -30.370 1.00 75.23 C ATOM 249 CG ASP A 16 -12.193 7.426 -29.152 1.00 21.32 C ATOM 250 OD1 ASP A 16 -11.552 7.026 -28.157 1.00 41.00 O ATOM 251 OD2 ASP A 16 -12.776 8.529 -29.193 1.00 45.21 O ATOM 0 H ASP A 16 -10.356 5.217 -29.523 1.00 63.03 H new ATOM 0 HA ASP A 16 -13.149 4.938 -29.224 1.00 5.31 H new ATOM 0 HB2 ASP A 16 -11.373 6.672 -30.978 1.00 75.23 H new ATOM 0 HB3 ASP A 16 -13.120 6.818 -30.982 1.00 75.23 H new ATOM 256 N ARG A 17 -11.979 4.219 -32.241 1.00 4.13 N ATOM 257 CA ARG A 17 -12.277 3.485 -33.465 1.00 2.24 C ATOM 258 C ARG A 17 -11.384 2.254 -33.592 1.00 13.14 C ATOM 259 O ARG A 17 -11.720 1.301 -34.294 1.00 72.53 O ATOM 260 CB ARG A 17 -12.093 4.390 -34.685 1.00 21.34 C ATOM 261 CG ARG A 17 -13.112 5.514 -34.768 1.00 41.31 C ATOM 262 CD ARG A 17 -14.215 5.194 -35.765 1.00 22.11 C ATOM 263 NE ARG A 17 -14.008 5.867 -37.045 1.00 33.34 N ATOM 264 CZ ARG A 17 -14.951 5.985 -37.973 1.00 62.12 C ATOM 265 NH1 ARG A 17 -16.158 5.478 -37.765 1.00 53.32 N ATOM 266 NH2 ARG A 17 -14.686 6.611 -39.113 1.00 14.33 N ATOM 0 H ARG A 17 -11.081 4.702 -32.247 1.00 4.13 H new ATOM 0 HA ARG A 17 -13.315 3.156 -33.418 1.00 2.24 H new ATOM 0 HB2 ARG A 17 -11.092 4.820 -34.660 1.00 21.34 H new ATOM 0 HB3 ARG A 17 -12.158 3.785 -35.589 1.00 21.34 H new ATOM 0 HG2 ARG A 17 -13.548 5.685 -33.784 1.00 41.31 H new ATOM 0 HG3 ARG A 17 -12.613 6.438 -35.060 1.00 41.31 H new ATOM 0 HD2 ARG A 17 -14.258 4.117 -35.925 1.00 22.11 H new ATOM 0 HD3 ARG A 17 -15.177 5.493 -35.350 1.00 22.11 H new ATOM 0 HE ARG A 17 -13.090 6.268 -37.236 1.00 33.34 H new ATOM 0 HH11 ARG A 17 -16.365 4.996 -36.890 1.00 53.32 H new ATOM 0 HH12 ARG A 17 -16.880 5.570 -38.480 1.00 53.32 H new ATOM 0 HH21 ARG A 17 -13.758 7.002 -39.277 1.00 14.33 H new ATOM 0 HH22 ARG A 17 -15.410 6.701 -39.825 1.00 14.33 H new ATOM 280 N PHE A 18 -10.245 2.282 -32.907 1.00 54.34 N ATOM 281 CA PHE A 18 -9.303 1.170 -32.945 1.00 34.33 C ATOM 282 C PHE A 18 -9.770 0.031 -32.042 1.00 53.41 C ATOM 283 O PHE A 18 -10.546 0.226 -31.106 1.00 20.20 O ATOM 284 CB PHE A 18 -7.911 1.638 -32.516 1.00 33.24 C ATOM 285 CG PHE A 18 -6.930 1.720 -33.650 1.00 74.10 C ATOM 286 CD1 PHE A 18 -5.656 1.191 -33.521 1.00 52.13 C ATOM 287 CD2 PHE A 18 -7.282 2.326 -34.845 1.00 54.50 C ATOM 288 CE1 PHE A 18 -4.751 1.265 -34.563 1.00 72.34 C ATOM 289 CE2 PHE A 18 -6.382 2.403 -35.891 1.00 22.43 C ATOM 290 CZ PHE A 18 -5.114 1.872 -35.749 1.00 53.23 C ATOM 0 H PHE A 18 -9.953 3.063 -32.319 1.00 54.34 H new ATOM 0 HA PHE A 18 -9.255 0.802 -33.970 1.00 34.33 H new ATOM 0 HB2 PHE A 18 -7.995 2.618 -32.047 1.00 33.24 H new ATOM 0 HB3 PHE A 18 -7.524 0.955 -31.760 1.00 33.24 H new ATOM 0 HD1 PHE A 18 -5.367 0.715 -32.596 1.00 52.13 H new ATOM 0 HD2 PHE A 18 -8.271 2.743 -34.961 1.00 54.50 H new ATOM 0 HE1 PHE A 18 -3.761 0.849 -34.450 1.00 72.34 H new ATOM 0 HE2 PHE A 18 -6.669 2.877 -36.818 1.00 22.43 H new ATOM 0 HZ PHE A 18 -4.408 1.932 -36.564 1.00 53.23 H new ATOM 300 N PRO A 19 -9.288 -1.187 -32.329 1.00 45.31 N ATOM 301 CA PRO A 19 -9.641 -2.381 -31.556 1.00 12.21 C ATOM 302 C PRO A 19 -9.038 -2.364 -30.156 1.00 20.35 C ATOM 303 O PRO A 19 -8.238 -1.489 -29.825 1.00 20.14 O ATOM 304 CB PRO A 19 -9.048 -3.526 -32.380 1.00 43.24 C ATOM 305 CG PRO A 19 -7.929 -2.904 -33.142 1.00 41.34 C ATOM 306 CD PRO A 19 -8.359 -1.492 -33.430 1.00 42.24 C ATOM 0 HA PRO A 19 -10.717 -2.463 -31.401 1.00 12.21 H new ATOM 0 HB2 PRO A 19 -8.691 -4.332 -31.739 1.00 43.24 H new ATOM 0 HB3 PRO A 19 -9.791 -3.958 -33.050 1.00 43.24 H new ATOM 0 HG2 PRO A 19 -7.006 -2.920 -32.563 1.00 41.34 H new ATOM 0 HG3 PRO A 19 -7.735 -3.449 -34.066 1.00 41.34 H new ATOM 0 HD2 PRO A 19 -7.510 -0.808 -33.441 1.00 42.24 H new ATOM 0 HD3 PRO A 19 -8.847 -1.411 -34.401 1.00 42.24 H new ATOM 314 N TRP A 20 -9.426 -3.336 -29.338 1.00 60.31 N ATOM 315 CA TRP A 20 -8.922 -3.433 -27.973 1.00 33.03 C ATOM 316 C TRP A 20 -7.679 -4.314 -27.912 1.00 52.22 C ATOM 317 O TRP A 20 -7.682 -5.442 -28.405 1.00 14.03 O ATOM 318 CB TRP A 20 -10.004 -3.992 -27.047 1.00 1.34 C ATOM 319 CG TRP A 20 -10.472 -5.360 -27.438 1.00 73.54 C ATOM 320 CD1 TRP A 20 -9.967 -6.554 -27.008 1.00 35.04 C ATOM 321 CD2 TRP A 20 -11.538 -5.676 -28.341 1.00 42.33 C ATOM 322 NE1 TRP A 20 -10.655 -7.592 -27.588 1.00 70.43 N ATOM 323 CE2 TRP A 20 -11.624 -7.080 -28.410 1.00 20.11 C ATOM 324 CE3 TRP A 20 -12.429 -4.909 -29.097 1.00 2.34 C ATOM 325 CZ2 TRP A 20 -12.564 -7.730 -29.205 1.00 15.13 C ATOM 326 CZ3 TRP A 20 -13.361 -5.555 -29.885 1.00 75.22 C ATOM 327 CH2 TRP A 20 -13.424 -6.954 -29.934 1.00 32.11 C ATOM 0 H TRP A 20 -10.088 -4.068 -29.596 1.00 60.31 H new ATOM 0 HA TRP A 20 -8.650 -2.431 -27.641 1.00 33.03 H new ATOM 0 HB2 TRP A 20 -9.618 -4.025 -26.028 1.00 1.34 H new ATOM 0 HB3 TRP A 20 -10.856 -3.312 -27.043 1.00 1.34 H new ATOM 0 HD1 TRP A 20 -9.147 -6.666 -26.314 1.00 35.04 H new ATOM 0 HE1 TRP A 20 -10.474 -8.584 -27.432 1.00 70.43 H new ATOM 0 HE3 TRP A 20 -12.389 -3.830 -29.065 1.00 2.34 H new ATOM 0 HZ2 TRP A 20 -12.613 -8.808 -29.245 1.00 15.13 H new ATOM 0 HZ3 TRP A 20 -14.053 -4.972 -30.474 1.00 75.22 H new ATOM 0 HH2 TRP A 20 -14.166 -7.429 -30.559 1.00 32.11 H new ATOM 338 N TRP A 21 -6.619 -3.792 -27.306 1.00 70.10 N ATOM 339 CA TRP A 21 -5.369 -4.533 -27.182 1.00 4.34 C ATOM 340 C TRP A 21 -4.960 -4.669 -25.719 1.00 42.20 C ATOM 341 O TRP A 21 -5.319 -3.852 -24.871 1.00 34.23 O ATOM 342 CB TRP A 21 -4.259 -3.837 -27.971 1.00 51.35 C ATOM 343 CG TRP A 21 -4.305 -4.126 -29.441 1.00 70.33 C ATOM 344 CD1 TRP A 21 -4.547 -5.334 -30.032 1.00 4.14 C ATOM 345 CD2 TRP A 21 -4.102 -3.191 -30.506 1.00 11.42 C ATOM 346 NE1 TRP A 21 -4.506 -5.205 -31.399 1.00 60.30 N ATOM 347 CE2 TRP A 21 -4.236 -3.900 -31.715 1.00 70.13 C ATOM 348 CE3 TRP A 21 -3.823 -1.822 -30.555 1.00 64.32 C ATOM 349 CZ2 TRP A 21 -4.098 -3.286 -32.957 1.00 72.13 C ATOM 350 CZ3 TRP A 21 -3.686 -1.214 -31.789 1.00 22.54 C ATOM 351 CH2 TRP A 21 -3.824 -1.946 -32.976 1.00 14.50 C ATOM 0 H TRP A 21 -6.600 -2.859 -26.893 1.00 70.10 H new ATOM 0 HA TRP A 21 -5.525 -5.531 -27.591 1.00 4.34 H new ATOM 0 HB2 TRP A 21 -4.334 -2.761 -27.817 1.00 51.35 H new ATOM 0 HB3 TRP A 21 -3.292 -4.149 -27.577 1.00 51.35 H new ATOM 0 HD1 TRP A 21 -4.742 -6.255 -29.502 1.00 4.14 H new ATOM 0 HE1 TRP A 21 -4.653 -5.959 -32.070 1.00 60.30 H new ATOM 0 HE3 TRP A 21 -3.716 -1.250 -29.645 1.00 64.32 H new ATOM 0 HZ2 TRP A 21 -4.204 -3.848 -33.873 1.00 72.13 H new ATOM 0 HZ3 TRP A 21 -3.469 -0.157 -31.839 1.00 22.54 H new ATOM 0 HH2 TRP A 21 -3.712 -1.442 -33.925 1.00 14.50 H new ATOM 362 N PRO A 22 -4.190 -5.724 -25.414 1.00 71.13 N ATOM 363 CA PRO A 22 -3.715 -5.991 -24.053 1.00 52.23 C ATOM 364 C PRO A 22 -2.675 -4.975 -23.593 1.00 33.24 C ATOM 365 O PRO A 22 -1.908 -4.450 -24.398 1.00 4.44 O ATOM 366 CB PRO A 22 -3.090 -7.384 -24.162 1.00 55.12 C ATOM 367 CG PRO A 22 -2.698 -7.512 -25.594 1.00 33.33 C ATOM 368 CD PRO A 22 -3.723 -6.738 -26.375 1.00 15.20 C ATOM 0 HA PRO A 22 -4.519 -5.926 -23.320 1.00 52.23 H new ATOM 0 HB2 PRO A 22 -2.226 -7.483 -23.505 1.00 55.12 H new ATOM 0 HB3 PRO A 22 -3.800 -8.160 -23.875 1.00 55.12 H new ATOM 0 HG2 PRO A 22 -1.697 -7.114 -25.762 1.00 33.33 H new ATOM 0 HG3 PRO A 22 -2.681 -8.557 -25.902 1.00 33.33 H new ATOM 0 HD2 PRO A 22 -3.289 -6.280 -27.264 1.00 15.20 H new ATOM 0 HD3 PRO A 22 -4.539 -7.378 -26.712 1.00 15.20 H new ATOM 376 N GLY A 23 -2.656 -4.703 -22.291 1.00 62.41 N ATOM 377 CA GLY A 23 -1.705 -3.752 -21.746 1.00 55.42 C ATOM 378 C GLY A 23 -1.491 -3.934 -20.257 1.00 21.41 C ATOM 379 O GLY A 23 -2.450 -4.052 -19.494 1.00 11.31 O ATOM 0 H GLY A 23 -3.282 -5.124 -21.605 1.00 62.41 H new ATOM 0 HA2 GLY A 23 -0.751 -3.860 -22.263 1.00 55.42 H new ATOM 0 HA3 GLY A 23 -2.059 -2.739 -21.938 1.00 55.42 H new ATOM 383 N PHE A 24 -0.229 -3.961 -19.841 1.00 40.43 N ATOM 384 CA PHE A 24 0.109 -4.133 -18.433 1.00 72.42 C ATOM 385 C PHE A 24 0.078 -2.796 -17.698 1.00 71.54 C ATOM 386 O PHE A 24 0.824 -1.875 -18.031 1.00 35.01 O ATOM 387 CB PHE A 24 1.492 -4.773 -18.293 1.00 74.24 C ATOM 388 CG PHE A 24 1.811 -5.755 -19.384 1.00 72.40 C ATOM 389 CD1 PHE A 24 2.855 -5.519 -20.264 1.00 14.21 C ATOM 390 CD2 PHE A 24 1.067 -6.915 -19.530 1.00 35.03 C ATOM 391 CE1 PHE A 24 3.151 -6.421 -21.268 1.00 42.34 C ATOM 392 CE2 PHE A 24 1.359 -7.821 -20.532 1.00 13.31 C ATOM 393 CZ PHE A 24 2.401 -7.573 -21.403 1.00 45.31 C ATOM 0 H PHE A 24 0.577 -3.866 -20.459 1.00 40.43 H new ATOM 0 HA PHE A 24 -0.635 -4.791 -17.985 1.00 72.42 H new ATOM 0 HB2 PHE A 24 2.248 -3.988 -18.289 1.00 74.24 H new ATOM 0 HB3 PHE A 24 1.553 -5.279 -17.330 1.00 74.24 H new ATOM 0 HD1 PHE A 24 3.444 -4.619 -20.164 1.00 14.21 H new ATOM 0 HD2 PHE A 24 0.249 -7.113 -18.853 1.00 35.03 H new ATOM 0 HE1 PHE A 24 3.968 -6.225 -21.947 1.00 42.34 H new ATOM 0 HE2 PHE A 24 0.773 -8.722 -20.634 1.00 13.31 H new ATOM 0 HZ PHE A 24 2.629 -8.278 -22.188 1.00 45.31 H new ATOM 403 N VAL A 25 -0.791 -2.698 -16.697 1.00 71.23 N ATOM 404 CA VAL A 25 -0.920 -1.475 -15.914 1.00 71.13 C ATOM 405 C VAL A 25 0.284 -1.278 -15.000 1.00 61.23 C ATOM 406 O VAL A 25 0.538 -2.087 -14.109 1.00 21.53 O ATOM 407 CB VAL A 25 -2.202 -1.488 -15.061 1.00 11.34 C ATOM 408 CG1 VAL A 25 -2.278 -0.241 -14.192 1.00 60.13 C ATOM 409 CG2 VAL A 25 -3.432 -1.605 -15.948 1.00 42.35 C ATOM 0 H VAL A 25 -1.416 -3.451 -16.409 1.00 71.23 H new ATOM 0 HA VAL A 25 -0.973 -0.649 -16.623 1.00 71.13 H new ATOM 0 HB VAL A 25 -2.172 -2.358 -14.405 1.00 11.34 H new ATOM 0 HG11 VAL A 25 -3.190 -0.268 -13.596 1.00 60.13 H new ATOM 0 HG12 VAL A 25 -1.413 -0.206 -13.530 1.00 60.13 H new ATOM 0 HG13 VAL A 25 -2.285 0.645 -14.827 1.00 60.13 H new ATOM 0 HG21 VAL A 25 -4.328 -1.613 -15.328 1.00 42.35 H new ATOM 0 HG22 VAL A 25 -3.470 -0.756 -16.631 1.00 42.35 H new ATOM 0 HG23 VAL A 25 -3.380 -2.530 -16.522 1.00 42.35 H new ATOM 419 N MET A 26 1.022 -0.197 -15.228 1.00 43.20 N ATOM 420 CA MET A 26 2.200 0.108 -14.423 1.00 73.43 C ATOM 421 C MET A 26 2.232 1.585 -14.044 1.00 33.33 C ATOM 422 O MET A 26 1.873 2.449 -14.844 1.00 20.21 O ATOM 423 CB MET A 26 3.474 -0.263 -15.185 1.00 31.04 C ATOM 424 CG MET A 26 3.535 -1.726 -15.591 1.00 71.43 C ATOM 425 SD MET A 26 5.202 -2.406 -15.491 1.00 32.43 S ATOM 426 CE MET A 26 5.263 -2.898 -13.770 1.00 24.44 C ATOM 0 H MET A 26 0.826 0.482 -15.963 1.00 43.20 H new ATOM 0 HA MET A 26 2.147 -0.482 -13.508 1.00 73.43 H new ATOM 0 HB2 MET A 26 3.547 0.357 -16.079 1.00 31.04 H new ATOM 0 HB3 MET A 26 4.339 -0.030 -14.565 1.00 31.04 H new ATOM 0 HG2 MET A 26 2.871 -2.305 -14.949 1.00 71.43 H new ATOM 0 HG3 MET A 26 3.164 -1.832 -16.611 1.00 71.43 H new ATOM 0 HE1 MET A 26 6.236 -3.338 -13.552 1.00 24.44 H new ATOM 0 HE2 MET A 26 5.110 -2.025 -13.136 1.00 24.44 H new ATOM 0 HE3 MET A 26 4.481 -3.631 -13.573 1.00 24.44 H new ATOM 436 N ASP A 27 2.663 1.867 -12.819 1.00 73.12 N ATOM 437 CA ASP A 27 2.742 3.240 -12.334 1.00 61.11 C ATOM 438 C ASP A 27 4.063 3.885 -12.741 1.00 63.44 C ATOM 439 O ASP A 27 5.097 3.225 -12.850 1.00 31.52 O ATOM 440 CB ASP A 27 2.591 3.275 -10.813 1.00 13.34 C ATOM 441 CG ASP A 27 3.834 2.786 -10.096 1.00 35.15 C ATOM 442 OD1 ASP A 27 3.813 1.647 -9.582 1.00 42.41 O ATOM 443 OD2 ASP A 27 4.827 3.541 -10.048 1.00 71.15 O ATOM 0 H ASP A 27 2.963 1.163 -12.144 1.00 73.12 H new ATOM 0 HA ASP A 27 1.927 3.806 -12.786 1.00 61.11 H new ATOM 0 HB2 ASP A 27 2.370 4.294 -10.496 1.00 13.34 H new ATOM 0 HB3 ASP A 27 1.741 2.659 -10.521 1.00 13.34 H new ATOM 448 N PRO A 28 4.031 5.205 -12.974 1.00 11.22 N ATOM 449 CA PRO A 28 5.217 5.968 -13.373 1.00 42.05 C ATOM 450 C PRO A 28 6.234 6.093 -12.244 1.00 31.31 C ATOM 451 O PRO A 28 7.440 5.991 -12.468 1.00 22.13 O ATOM 452 CB PRO A 28 4.649 7.343 -13.736 1.00 65.41 C ATOM 453 CG PRO A 28 3.388 7.451 -12.951 1.00 21.42 C ATOM 454 CD PRO A 28 2.834 6.056 -12.864 1.00 33.52 C ATOM 0 HA PRO A 28 5.756 5.485 -14.188 1.00 42.05 H new ATOM 0 HB2 PRO A 28 5.346 8.140 -13.477 1.00 65.41 H new ATOM 0 HB3 PRO A 28 4.457 7.422 -14.806 1.00 65.41 H new ATOM 0 HG2 PRO A 28 3.580 7.857 -11.958 1.00 21.42 H new ATOM 0 HG3 PRO A 28 2.681 8.122 -13.439 1.00 21.42 H new ATOM 0 HD2 PRO A 28 2.309 5.890 -11.923 1.00 33.52 H new ATOM 0 HD3 PRO A 28 2.123 5.855 -13.666 1.00 33.52 H new ATOM 462 N ASP A 29 5.739 6.313 -11.031 1.00 23.12 N ATOM 463 CA ASP A 29 6.605 6.450 -9.865 1.00 62.14 C ATOM 464 C ASP A 29 5.781 6.628 -8.594 1.00 60.10 C ATOM 465 O ASP A 29 6.018 7.549 -7.814 1.00 4.23 O ATOM 466 CB ASP A 29 7.553 7.637 -10.044 1.00 52.01 C ATOM 467 CG ASP A 29 8.907 7.398 -9.407 1.00 23.32 C ATOM 468 OD1 ASP A 29 9.363 8.269 -8.636 1.00 63.34 O ATOM 469 OD2 ASP A 29 9.511 6.339 -9.678 1.00 22.14 O ATOM 0 H ASP A 29 4.743 6.400 -10.829 1.00 23.12 H new ATOM 0 HA ASP A 29 7.193 5.537 -9.770 1.00 62.14 H new ATOM 0 HB2 ASP A 29 7.685 7.835 -11.108 1.00 52.01 H new ATOM 0 HB3 ASP A 29 7.102 8.528 -9.607 1.00 52.01 H new ATOM 474 N GLU A 30 4.812 5.740 -8.394 1.00 13.30 N ATOM 475 CA GLU A 30 3.952 5.802 -7.218 1.00 74.41 C ATOM 476 C GLU A 30 3.113 7.076 -7.223 1.00 52.44 C ATOM 477 O GLU A 30 3.433 8.046 -6.536 1.00 51.52 O ATOM 478 CB GLU A 30 4.791 5.736 -5.941 1.00 22.24 C ATOM 479 CG GLU A 30 5.862 4.658 -5.971 1.00 10.21 C ATOM 480 CD GLU A 30 7.261 5.229 -6.096 1.00 1.31 C ATOM 481 OE1 GLU A 30 8.020 4.753 -6.967 1.00 13.55 O ATOM 482 OE2 GLU A 30 7.597 6.151 -5.324 1.00 4.21 O ATOM 0 H GLU A 30 4.603 4.970 -9.030 1.00 13.30 H new ATOM 0 HA GLU A 30 3.279 4.945 -7.247 1.00 74.41 H new ATOM 0 HB2 GLU A 30 5.266 6.704 -5.778 1.00 22.24 H new ATOM 0 HB3 GLU A 30 4.131 5.557 -5.092 1.00 22.24 H new ATOM 0 HG2 GLU A 30 5.797 4.061 -5.061 1.00 10.21 H new ATOM 0 HG3 GLU A 30 5.672 3.985 -6.808 1.00 10.21 H new ATOM 489 N VAL A 31 2.037 7.067 -8.004 1.00 63.15 N ATOM 490 CA VAL A 31 1.151 8.221 -8.100 1.00 5.11 C ATOM 491 C VAL A 31 -0.017 8.099 -7.128 1.00 71.24 C ATOM 492 O VAL A 31 -1.014 8.811 -7.248 1.00 1.43 O ATOM 493 CB VAL A 31 0.602 8.390 -9.529 1.00 34.14 C ATOM 494 CG1 VAL A 31 1.711 8.807 -10.482 1.00 71.12 C ATOM 495 CG2 VAL A 31 -0.062 7.104 -9.999 1.00 41.41 C ATOM 0 H VAL A 31 1.758 6.273 -8.580 1.00 63.15 H new ATOM 0 HA VAL A 31 1.744 9.098 -7.842 1.00 5.11 H new ATOM 0 HB VAL A 31 -0.150 9.179 -9.520 1.00 34.14 H new ATOM 0 HG11 VAL A 31 1.304 8.921 -11.487 1.00 71.12 H new ATOM 0 HG12 VAL A 31 2.136 9.755 -10.153 1.00 71.12 H new ATOM 0 HG13 VAL A 31 2.489 8.044 -10.491 1.00 71.12 H new ATOM 0 HG21 VAL A 31 -0.445 7.241 -11.010 1.00 41.41 H new ATOM 0 HG22 VAL A 31 0.668 6.295 -9.993 1.00 41.41 H new ATOM 0 HG23 VAL A 31 -0.886 6.854 -9.330 1.00 41.41 H new ATOM 505 N ARG A 32 0.113 7.191 -6.167 1.00 32.05 N ATOM 506 CA ARG A 32 -0.933 6.974 -5.174 1.00 50.51 C ATOM 507 C ARG A 32 -0.666 7.795 -3.915 1.00 74.15 C ATOM 508 O ARG A 32 -1.597 8.249 -3.250 1.00 11.13 O ATOM 509 CB ARG A 32 -1.028 5.490 -4.817 1.00 62.14 C ATOM 510 CG ARG A 32 -1.743 4.656 -5.868 1.00 22.43 C ATOM 511 CD ARG A 32 -3.253 4.778 -5.743 1.00 53.41 C ATOM 512 NE ARG A 32 -3.942 4.295 -6.937 1.00 31.03 N ATOM 513 CZ ARG A 32 -5.201 4.599 -7.232 1.00 70.35 C ATOM 514 NH1 ARG A 32 -5.905 5.381 -6.426 1.00 22.12 N ATOM 515 NH2 ARG A 32 -5.758 4.120 -8.337 1.00 72.05 N ATOM 0 H ARG A 32 0.932 6.594 -6.054 1.00 32.05 H new ATOM 0 HA ARG A 32 -1.880 7.298 -5.605 1.00 50.51 H new ATOM 0 HB2 ARG A 32 -0.023 5.094 -4.673 1.00 62.14 H new ATOM 0 HB3 ARG A 32 -1.550 5.386 -3.866 1.00 62.14 H new ATOM 0 HG2 ARG A 32 -1.432 4.977 -6.862 1.00 22.43 H new ATOM 0 HG3 ARG A 32 -1.452 3.611 -5.765 1.00 22.43 H new ATOM 0 HD2 ARG A 32 -3.592 4.212 -4.875 1.00 53.41 H new ATOM 0 HD3 ARG A 32 -3.519 5.820 -5.568 1.00 53.41 H new ATOM 0 HE ARG A 32 -3.428 3.691 -7.579 1.00 31.03 H new ATOM 0 HH11 ARG A 32 -5.480 5.752 -5.576 1.00 22.12 H new ATOM 0 HH12 ARG A 32 -6.871 5.612 -6.656 1.00 22.12 H new ATOM 0 HH21 ARG A 32 -5.219 3.518 -8.960 1.00 72.05 H new ATOM 0 HH22 ARG A 32 -6.725 4.354 -8.563 1.00 72.05 H new ATOM 529 N ASP A 33 0.610 7.980 -3.596 1.00 14.04 N ATOM 530 CA ASP A 33 0.999 8.746 -2.417 1.00 42.04 C ATOM 531 C ASP A 33 1.513 10.127 -2.813 1.00 13.15 C ATOM 532 O ASP A 33 1.318 11.103 -2.087 1.00 40.14 O ATOM 533 CB ASP A 33 2.073 7.996 -1.627 1.00 74.02 C ATOM 534 CG ASP A 33 1.585 7.557 -0.260 1.00 51.44 C ATOM 535 OD1 ASP A 33 1.060 6.429 -0.151 1.00 54.43 O ATOM 536 OD2 ASP A 33 1.729 8.342 0.700 1.00 21.33 O ATOM 0 H ASP A 33 1.392 7.611 -4.136 1.00 14.04 H new ATOM 0 HA ASP A 33 0.118 8.872 -1.788 1.00 42.04 H new ATOM 0 HB2 ASP A 33 2.393 7.121 -2.194 1.00 74.02 H new ATOM 0 HB3 ASP A 33 2.947 8.636 -1.509 1.00 74.02 H new ATOM 541 N ILE A 34 2.170 10.201 -3.965 1.00 55.01 N ATOM 542 CA ILE A 34 2.711 11.462 -4.456 1.00 13.31 C ATOM 543 C ILE A 34 2.017 11.895 -5.743 1.00 72.51 C ATOM 544 O ILE A 34 2.187 11.273 -6.793 1.00 11.32 O ATOM 545 CB ILE A 34 4.226 11.363 -4.711 1.00 43.23 C ATOM 546 CG1 ILE A 34 4.937 10.797 -3.480 1.00 41.23 C ATOM 547 CG2 ILE A 34 4.792 12.728 -5.076 1.00 22.51 C ATOM 548 CD1 ILE A 34 5.317 9.340 -3.619 1.00 22.31 C ATOM 0 H ILE A 34 2.341 9.402 -4.576 1.00 55.01 H new ATOM 0 HA ILE A 34 2.529 12.206 -3.681 1.00 13.31 H new ATOM 0 HB ILE A 34 4.395 10.686 -5.548 1.00 43.23 H new ATOM 0 HG12 ILE A 34 5.837 11.382 -3.289 1.00 41.23 H new ATOM 0 HG13 ILE A 34 4.290 10.914 -2.611 1.00 41.23 H new ATOM 0 HG21 ILE A 34 5.864 12.642 -5.253 1.00 22.51 H new ATOM 0 HG22 ILE A 34 4.303 13.095 -5.979 1.00 22.51 H new ATOM 0 HG23 ILE A 34 4.615 13.426 -4.258 1.00 22.51 H new ATOM 0 HD11 ILE A 34 5.817 9.006 -2.710 1.00 22.31 H new ATOM 0 HD12 ILE A 34 4.419 8.743 -3.780 1.00 22.31 H new ATOM 0 HD13 ILE A 34 5.990 9.219 -4.468 1.00 22.31 H new ATOM 560 N THR A 35 1.234 12.966 -5.656 1.00 62.22 N ATOM 561 CA THR A 35 0.515 13.483 -6.814 1.00 34.55 C ATOM 562 C THR A 35 1.119 14.797 -7.295 1.00 34.24 C ATOM 563 O THR A 35 0.922 15.845 -6.678 1.00 73.12 O ATOM 564 CB THR A 35 -0.977 13.702 -6.496 1.00 24.21 C ATOM 565 OG1 THR A 35 -1.603 14.424 -7.562 1.00 35.12 O ATOM 566 CG2 THR A 35 -1.145 14.466 -5.191 1.00 74.51 C ATOM 0 H THR A 35 1.082 13.492 -4.796 1.00 62.22 H new ATOM 0 HA THR A 35 0.605 12.736 -7.602 1.00 34.55 H new ATOM 0 HB THR A 35 -1.452 12.726 -6.391 1.00 24.21 H new ATOM 0 HG1 THR A 35 -2.551 14.558 -7.354 1.00 35.12 H new ATOM 0 HG21 THR A 35 -2.206 14.609 -4.987 1.00 74.51 H new ATOM 0 HG22 THR A 35 -0.692 13.900 -4.377 1.00 74.51 H new ATOM 0 HG23 THR A 35 -0.657 15.437 -5.273 1.00 74.51 H new ATOM 574 N LEU A 36 1.854 14.735 -8.399 1.00 42.11 N ATOM 575 CA LEU A 36 2.487 15.922 -8.964 1.00 61.11 C ATOM 576 C LEU A 36 1.915 16.240 -10.342 1.00 3.21 C ATOM 577 O LEU A 36 1.430 15.364 -11.057 1.00 62.54 O ATOM 578 CB LEU A 36 4.000 15.720 -9.062 1.00 22.44 C ATOM 579 CG LEU A 36 4.463 14.457 -9.789 1.00 20.55 C ATOM 580 CD1 LEU A 36 5.039 14.806 -11.152 1.00 3.12 C ATOM 581 CD2 LEU A 36 5.487 13.704 -8.951 1.00 44.54 C ATOM 0 H LEU A 36 2.027 13.876 -8.921 1.00 42.11 H new ATOM 0 HA LEU A 36 2.281 16.763 -8.302 1.00 61.11 H new ATOM 0 HB2 LEU A 36 4.430 16.584 -9.568 1.00 22.44 H new ATOM 0 HB3 LEU A 36 4.411 15.705 -8.052 1.00 22.44 H new ATOM 0 HG LEU A 36 3.599 13.810 -9.938 1.00 20.55 H new ATOM 0 HD11 LEU A 36 5.363 13.895 -11.654 1.00 3.12 H new ATOM 0 HD12 LEU A 36 4.276 15.300 -11.754 1.00 3.12 H new ATOM 0 HD13 LEU A 36 5.891 15.474 -11.027 1.00 3.12 H new ATOM 0 HD21 LEU A 36 5.805 12.808 -9.484 1.00 44.54 H new ATOM 0 HD22 LEU A 36 6.350 14.344 -8.770 1.00 44.54 H new ATOM 0 HD23 LEU A 36 5.040 13.420 -7.999 1.00 44.54 H new ATOM 593 N PRO A 37 1.974 17.524 -10.725 1.00 44.22 N ATOM 594 CA PRO A 37 1.470 17.987 -12.021 1.00 54.52 C ATOM 595 C PRO A 37 2.325 17.499 -13.185 1.00 22.31 C ATOM 596 O PRO A 37 3.550 17.612 -13.156 1.00 41.45 O ATOM 597 CB PRO A 37 1.544 19.512 -11.906 1.00 51.13 C ATOM 598 CG PRO A 37 2.612 19.764 -10.899 1.00 11.52 C ATOM 599 CD PRO A 37 2.539 18.623 -9.923 1.00 61.52 C ATOM 0 HA PRO A 37 0.469 17.609 -12.227 1.00 54.52 H new ATOM 0 HB2 PRO A 37 1.788 19.970 -12.865 1.00 51.13 H new ATOM 0 HB3 PRO A 37 0.590 19.932 -11.585 1.00 51.13 H new ATOM 0 HG2 PRO A 37 3.592 19.810 -11.373 1.00 11.52 H new ATOM 0 HG3 PRO A 37 2.457 20.718 -10.396 1.00 11.52 H new ATOM 0 HD2 PRO A 37 3.523 18.368 -9.528 1.00 61.52 H new ATOM 0 HD3 PRO A 37 1.906 18.864 -9.069 1.00 61.52 H new ATOM 607 N GLU A 38 1.671 16.955 -14.207 1.00 4.21 N ATOM 608 CA GLU A 38 2.374 16.449 -15.380 1.00 41.00 C ATOM 609 C GLU A 38 1.395 16.138 -16.508 1.00 61.53 C ATOM 610 O GLU A 38 1.421 16.774 -17.561 1.00 10.13 O ATOM 611 CB GLU A 38 3.172 15.194 -15.022 1.00 25.23 C ATOM 612 CG GLU A 38 4.022 14.666 -16.165 1.00 71.44 C ATOM 613 CD GLU A 38 5.181 13.813 -15.686 1.00 74.11 C ATOM 614 OE1 GLU A 38 5.034 13.149 -14.638 1.00 41.13 O ATOM 615 OE2 GLU A 38 6.233 13.809 -16.358 1.00 1.31 O ATOM 0 H GLU A 38 0.657 16.854 -14.246 1.00 4.21 H new ATOM 0 HA GLU A 38 3.062 17.223 -15.722 1.00 41.00 H new ATOM 0 HB2 GLU A 38 3.818 15.415 -14.172 1.00 25.23 H new ATOM 0 HB3 GLU A 38 2.481 14.413 -14.703 1.00 25.23 H new ATOM 0 HG2 GLU A 38 3.396 14.078 -16.836 1.00 71.44 H new ATOM 0 HG3 GLU A 38 4.408 15.505 -16.743 1.00 71.44 H new ATOM 622 N GLY A 39 0.532 15.152 -16.280 1.00 41.01 N ATOM 623 CA GLY A 39 -0.443 14.772 -17.286 1.00 1.13 C ATOM 624 C GLY A 39 -0.479 13.275 -17.522 1.00 10.23 C ATOM 625 O GLY A 39 -1.281 12.784 -18.316 1.00 12.40 O ATOM 0 H GLY A 39 0.491 14.610 -15.417 1.00 41.01 H new ATOM 0 HA2 GLY A 39 -1.431 15.112 -16.976 1.00 1.13 H new ATOM 0 HA3 GLY A 39 -0.211 15.279 -18.223 1.00 1.13 H new ATOM 629 N SER A 40 0.393 12.548 -16.832 1.00 23.45 N ATOM 630 CA SER A 40 0.462 11.098 -16.974 1.00 72.02 C ATOM 631 C SER A 40 0.597 10.424 -15.612 1.00 72.12 C ATOM 632 O SER A 40 1.658 10.464 -14.990 1.00 3.01 O ATOM 633 CB SER A 40 1.640 10.707 -17.868 1.00 42.32 C ATOM 634 OG SER A 40 2.715 11.620 -17.723 1.00 31.50 O ATOM 0 H SER A 40 1.062 12.939 -16.169 1.00 23.45 H new ATOM 0 HA SER A 40 -0.465 10.759 -17.437 1.00 72.02 H new ATOM 0 HB2 SER A 40 1.976 9.702 -17.614 1.00 42.32 H new ATOM 0 HB3 SER A 40 1.318 10.682 -18.909 1.00 42.32 H new ATOM 0 HG SER A 40 3.456 11.347 -18.303 1.00 31.50 H new ATOM 640 N ASP A 41 -0.486 9.805 -15.156 1.00 14.14 N ATOM 641 CA ASP A 41 -0.490 9.121 -13.868 1.00 33.31 C ATOM 642 C ASP A 41 -0.443 7.608 -14.056 1.00 70.45 C ATOM 643 O ASP A 41 0.082 6.882 -13.211 1.00 54.24 O ATOM 644 CB ASP A 41 -1.732 9.508 -13.064 1.00 54.30 C ATOM 645 CG ASP A 41 -1.618 10.890 -12.452 1.00 3.44 C ATOM 646 OD1 ASP A 41 -2.367 11.180 -11.496 1.00 14.34 O ATOM 647 OD2 ASP A 41 -0.778 11.682 -12.928 1.00 24.12 O ATOM 0 H ASP A 41 -1.372 9.763 -15.659 1.00 14.14 H new ATOM 0 HA ASP A 41 0.400 9.429 -13.319 1.00 33.31 H new ATOM 0 HB2 ASP A 41 -2.607 9.472 -13.713 1.00 54.30 H new ATOM 0 HB3 ASP A 41 -1.892 8.776 -12.273 1.00 54.30 H new ATOM 652 N VAL A 42 -0.996 7.138 -15.170 1.00 62.43 N ATOM 653 CA VAL A 42 -1.017 5.711 -15.470 1.00 62.11 C ATOM 654 C VAL A 42 -0.185 5.397 -16.709 1.00 0.43 C ATOM 655 O VAL A 42 -0.231 6.126 -17.700 1.00 62.41 O ATOM 656 CB VAL A 42 -2.455 5.205 -15.689 1.00 61.44 C ATOM 657 CG1 VAL A 42 -2.468 3.694 -15.865 1.00 33.32 C ATOM 658 CG2 VAL A 42 -3.349 5.623 -14.532 1.00 1.21 C ATOM 0 H VAL A 42 -1.435 7.725 -15.879 1.00 62.43 H new ATOM 0 HA VAL A 42 -0.587 5.200 -14.608 1.00 62.11 H new ATOM 0 HB VAL A 42 -2.846 5.657 -16.601 1.00 61.44 H new ATOM 0 HG11 VAL A 42 -3.492 3.354 -16.019 1.00 33.32 H new ATOM 0 HG12 VAL A 42 -1.862 3.423 -16.730 1.00 33.32 H new ATOM 0 HG13 VAL A 42 -2.059 3.220 -14.973 1.00 33.32 H new ATOM 0 HG21 VAL A 42 -4.361 5.257 -14.704 1.00 1.21 H new ATOM 0 HG22 VAL A 42 -2.963 5.202 -13.604 1.00 1.21 H new ATOM 0 HG23 VAL A 42 -3.364 6.710 -14.458 1.00 1.21 H new ATOM 668 N TRP A 43 0.574 4.309 -16.645 1.00 11.44 N ATOM 669 CA TRP A 43 1.417 3.899 -17.762 1.00 34.30 C ATOM 670 C TRP A 43 1.055 2.493 -18.229 1.00 30.15 C ATOM 671 O TRP A 43 1.400 1.505 -17.580 1.00 13.13 O ATOM 672 CB TRP A 43 2.892 3.953 -17.362 1.00 32.02 C ATOM 673 CG TRP A 43 3.720 4.821 -18.261 1.00 14.05 C ATOM 674 CD1 TRP A 43 3.384 6.052 -18.748 1.00 74.42 C ATOM 675 CD2 TRP A 43 5.020 4.523 -18.780 1.00 20.20 C ATOM 676 NE1 TRP A 43 4.397 6.536 -19.540 1.00 11.44 N ATOM 677 CE2 TRP A 43 5.412 5.618 -19.574 1.00 64.25 C ATOM 678 CE3 TRP A 43 5.892 3.439 -18.650 1.00 31.43 C ATOM 679 CZ2 TRP A 43 6.637 5.657 -20.235 1.00 24.30 C ATOM 680 CZ3 TRP A 43 7.107 3.479 -19.306 1.00 63.41 C ATOM 681 CH2 TRP A 43 7.471 4.582 -20.090 1.00 24.50 C ATOM 0 H TRP A 43 0.623 3.695 -15.832 1.00 11.44 H new ATOM 0 HA TRP A 43 1.247 4.591 -18.587 1.00 34.30 H new ATOM 0 HB2 TRP A 43 2.970 4.322 -16.339 1.00 32.02 H new ATOM 0 HB3 TRP A 43 3.300 2.942 -17.368 1.00 32.02 H new ATOM 0 HD1 TRP A 43 2.459 6.569 -18.541 1.00 74.42 H new ATOM 0 HE1 TRP A 43 4.393 7.434 -20.024 1.00 11.44 H new ATOM 0 HE3 TRP A 43 5.621 2.585 -18.047 1.00 31.43 H new ATOM 0 HZ2 TRP A 43 6.919 6.506 -20.841 1.00 24.30 H new ATOM 0 HZ3 TRP A 43 7.788 2.646 -19.213 1.00 63.41 H new ATOM 0 HH2 TRP A 43 8.429 4.584 -20.590 1.00 24.50 H new ATOM 692 N VAL A 44 0.358 2.409 -19.358 1.00 5.44 N ATOM 693 CA VAL A 44 -0.049 1.124 -19.912 1.00 25.45 C ATOM 694 C VAL A 44 0.974 0.611 -20.920 1.00 12.14 C ATOM 695 O VAL A 44 1.204 1.234 -21.957 1.00 72.21 O ATOM 696 CB VAL A 44 -1.425 1.218 -20.596 1.00 33.33 C ATOM 697 CG1 VAL A 44 -1.818 -0.125 -21.193 1.00 21.02 C ATOM 698 CG2 VAL A 44 -2.478 1.700 -19.609 1.00 51.24 C ATOM 0 H VAL A 44 0.064 3.217 -19.907 1.00 5.44 H new ATOM 0 HA VAL A 44 -0.114 0.426 -19.077 1.00 25.45 H new ATOM 0 HB VAL A 44 -1.360 1.944 -21.407 1.00 33.33 H new ATOM 0 HG11 VAL A 44 -2.793 -0.039 -21.672 1.00 21.02 H new ATOM 0 HG12 VAL A 44 -1.076 -0.426 -21.932 1.00 21.02 H new ATOM 0 HG13 VAL A 44 -1.867 -0.874 -20.403 1.00 21.02 H new ATOM 0 HG21 VAL A 44 -3.445 1.761 -20.109 1.00 51.24 H new ATOM 0 HG22 VAL A 44 -2.544 1.000 -18.776 1.00 51.24 H new ATOM 0 HG23 VAL A 44 -2.201 2.685 -19.234 1.00 51.24 H new ATOM 708 N CYS A 45 1.584 -0.527 -20.608 1.00 40.13 N ATOM 709 CA CYS A 45 2.583 -1.124 -21.487 1.00 62.14 C ATOM 710 C CYS A 45 1.966 -2.224 -22.344 1.00 34.50 C ATOM 711 O CYS A 45 1.811 -3.361 -21.895 1.00 64.25 O ATOM 712 CB CYS A 45 3.742 -1.690 -20.666 1.00 22.42 C ATOM 713 SG CYS A 45 4.385 -0.554 -19.415 1.00 30.01 S ATOM 0 H CYS A 45 1.404 -1.054 -19.754 1.00 40.13 H new ATOM 0 HA CYS A 45 2.962 -0.344 -22.147 1.00 62.14 H new ATOM 0 HB2 CYS A 45 3.412 -2.605 -20.175 1.00 22.42 H new ATOM 0 HB3 CYS A 45 4.552 -1.965 -21.342 1.00 22.42 H new ATOM 0 HG CYS A 45 5.360 -1.124 -18.772 1.00 30.01 H new ATOM 719 N CYS A 46 1.613 -1.879 -23.577 1.00 73.01 N ATOM 720 CA CYS A 46 1.009 -2.837 -24.496 1.00 60.24 C ATOM 721 C CYS A 46 2.064 -3.774 -25.075 1.00 60.31 C ATOM 722 O CYS A 46 3.262 -3.593 -24.851 1.00 15.40 O ATOM 723 CB CYS A 46 0.285 -2.104 -25.627 1.00 21.42 C ATOM 724 SG CYS A 46 -1.174 -1.181 -25.092 1.00 54.30 S ATOM 0 H CYS A 46 1.735 -0.943 -23.964 1.00 73.01 H new ATOM 0 HA CYS A 46 0.287 -3.433 -23.938 1.00 60.24 H new ATOM 0 HB2 CYS A 46 0.982 -1.416 -26.104 1.00 21.42 H new ATOM 0 HB3 CYS A 46 -0.014 -2.830 -26.383 1.00 21.42 H new ATOM 0 HG CYS A 46 -1.716 -0.594 -26.117 1.00 54.30 H new ATOM 730 N LEU A 47 1.612 -4.778 -25.819 1.00 41.20 N ATOM 731 CA LEU A 47 2.517 -5.746 -26.429 1.00 50.23 C ATOM 732 C LEU A 47 3.368 -5.089 -27.512 1.00 13.24 C ATOM 733 O LEU A 47 3.028 -4.034 -28.047 1.00 41.44 O ATOM 734 CB LEU A 47 1.724 -6.910 -27.025 1.00 34.21 C ATOM 735 CG LEU A 47 1.427 -6.824 -28.522 1.00 51.24 C ATOM 736 CD1 LEU A 47 0.699 -8.073 -28.995 1.00 40.52 C ATOM 737 CD2 LEU A 47 0.610 -5.578 -28.833 1.00 71.12 C ATOM 0 H LEU A 47 0.625 -4.943 -26.014 1.00 41.20 H new ATOM 0 HA LEU A 47 3.180 -6.126 -25.652 1.00 50.23 H new ATOM 0 HB2 LEU A 47 2.274 -7.832 -26.837 1.00 34.21 H new ATOM 0 HB3 LEU A 47 0.777 -6.989 -26.491 1.00 34.21 H new ATOM 0 HG LEU A 47 2.374 -6.756 -29.057 1.00 51.24 H new ATOM 0 HD11 LEU A 47 0.496 -7.993 -30.063 1.00 40.52 H new ATOM 0 HD12 LEU A 47 1.320 -8.949 -28.808 1.00 40.52 H new ATOM 0 HD13 LEU A 47 -0.242 -8.173 -28.453 1.00 40.52 H new ATOM 0 HD21 LEU A 47 0.408 -5.533 -29.903 1.00 71.12 H new ATOM 0 HD22 LEU A 47 -0.333 -5.615 -28.287 1.00 71.12 H new ATOM 0 HD23 LEU A 47 1.169 -4.692 -28.532 1.00 71.12 H new ATOM 749 N PRO A 48 4.500 -5.727 -27.844 1.00 34.13 N ATOM 750 CA PRO A 48 5.421 -5.224 -28.867 1.00 30.30 C ATOM 751 C PRO A 48 4.837 -5.324 -30.272 1.00 40.21 C ATOM 752 O PRO A 48 4.701 -6.417 -30.822 1.00 12.12 O ATOM 753 CB PRO A 48 6.639 -6.140 -28.728 1.00 65.32 C ATOM 754 CG PRO A 48 6.101 -7.400 -28.143 1.00 64.54 C ATOM 755 CD PRO A 48 4.967 -6.989 -27.246 1.00 60.21 C ATOM 0 HA PRO A 48 5.647 -4.167 -28.728 1.00 30.30 H new ATOM 0 HB2 PRO A 48 7.110 -6.322 -29.694 1.00 65.32 H new ATOM 0 HB3 PRO A 48 7.397 -5.696 -28.082 1.00 65.32 H new ATOM 0 HG2 PRO A 48 5.755 -8.076 -28.925 1.00 64.54 H new ATOM 0 HG3 PRO A 48 6.871 -7.929 -27.581 1.00 64.54 H new ATOM 0 HD2 PRO A 48 4.178 -7.741 -27.226 1.00 60.21 H new ATOM 0 HD3 PRO A 48 5.299 -6.848 -26.217 1.00 60.21 H new ATOM 763 N ARG A 49 4.494 -4.176 -30.848 1.00 62.21 N ATOM 764 CA ARG A 49 3.924 -4.135 -32.189 1.00 41.03 C ATOM 765 C ARG A 49 4.108 -2.756 -32.816 1.00 13.22 C ATOM 766 O ARG A 49 4.296 -2.633 -34.026 1.00 43.02 O ATOM 767 CB ARG A 49 2.438 -4.493 -32.146 1.00 34.41 C ATOM 768 CG ARG A 49 1.569 -3.415 -31.520 1.00 10.34 C ATOM 769 CD ARG A 49 0.950 -2.514 -32.577 1.00 44.21 C ATOM 770 NE ARG A 49 0.116 -3.262 -33.514 1.00 22.13 N ATOM 771 CZ ARG A 49 -0.655 -2.689 -34.431 1.00 45.22 C ATOM 772 NH1 ARG A 49 -0.696 -1.368 -34.535 1.00 55.30 N ATOM 773 NH2 ARG A 49 -1.385 -3.437 -35.248 1.00 30.54 N ATOM 0 H ARG A 49 4.601 -3.263 -30.407 1.00 62.21 H new ATOM 0 HA ARG A 49 4.449 -4.867 -32.802 1.00 41.03 H new ATOM 0 HB2 ARG A 49 2.090 -4.684 -33.161 1.00 34.41 H new ATOM 0 HB3 ARG A 49 2.312 -5.420 -31.586 1.00 34.41 H new ATOM 0 HG2 ARG A 49 0.780 -3.880 -30.929 1.00 10.34 H new ATOM 0 HG3 ARG A 49 2.168 -2.815 -30.835 1.00 10.34 H new ATOM 0 HD2 ARG A 49 0.349 -1.745 -32.091 1.00 44.21 H new ATOM 0 HD3 ARG A 49 1.741 -2.002 -33.125 1.00 44.21 H new ATOM 0 HE ARG A 49 0.126 -4.281 -33.461 1.00 22.13 H new ATOM 0 HH11 ARG A 49 -0.135 -0.790 -33.910 1.00 55.30 H new ATOM 0 HH12 ARG A 49 -1.289 -0.930 -35.240 1.00 55.30 H new ATOM 0 HH21 ARG A 49 -1.355 -4.454 -35.172 1.00 30.54 H new ATOM 0 HH22 ARG A 49 -1.977 -2.995 -35.952 1.00 30.54 H new ATOM 787 N ASP A 50 4.051 -1.722 -31.984 1.00 53.40 N ATOM 788 CA ASP A 50 4.211 -0.351 -32.456 1.00 21.11 C ATOM 789 C ASP A 50 5.520 0.248 -31.950 1.00 72.03 C ATOM 790 O ASP A 50 5.728 1.459 -32.021 1.00 51.14 O ATOM 791 CB ASP A 50 3.032 0.509 -31.999 1.00 51.44 C ATOM 792 CG ASP A 50 2.234 1.063 -33.164 1.00 23.03 C ATOM 793 OD1 ASP A 50 0.988 1.071 -33.079 1.00 1.50 O ATOM 794 OD2 ASP A 50 2.856 1.489 -34.159 1.00 61.43 O ATOM 0 H ASP A 50 3.895 -1.807 -30.980 1.00 53.40 H new ATOM 0 HA ASP A 50 4.237 -0.368 -33.546 1.00 21.11 H new ATOM 0 HB2 ASP A 50 2.376 -0.086 -31.364 1.00 51.44 H new ATOM 0 HB3 ASP A 50 3.402 1.334 -31.391 1.00 51.44 H new ATOM 799 N SER A 51 6.398 -0.609 -31.439 1.00 2.52 N ATOM 800 CA SER A 51 7.685 -0.163 -30.917 1.00 31.34 C ATOM 801 C SER A 51 7.504 0.614 -29.616 1.00 52.35 C ATOM 802 O SER A 51 7.796 1.809 -29.548 1.00 53.00 O ATOM 803 CB SER A 51 8.405 0.707 -31.949 1.00 15.04 C ATOM 804 OG SER A 51 9.804 0.713 -31.724 1.00 14.43 O ATOM 0 H SER A 51 6.242 -1.615 -31.375 1.00 2.52 H new ATOM 0 HA SER A 51 8.291 -1.045 -30.711 1.00 31.34 H new ATOM 0 HB2 SER A 51 8.196 0.335 -32.952 1.00 15.04 H new ATOM 0 HB3 SER A 51 8.021 1.726 -31.901 1.00 15.04 H new ATOM 0 HG SER A 51 10.241 1.275 -32.398 1.00 14.43 H new ATOM 810 N LEU A 52 7.020 -0.072 -28.587 1.00 2.21 N ATOM 811 CA LEU A 52 6.799 0.553 -27.287 1.00 63.02 C ATOM 812 C LEU A 52 5.713 1.621 -27.374 1.00 23.53 C ATOM 813 O LEU A 52 6.004 2.816 -27.419 1.00 43.35 O ATOM 814 CB LEU A 52 8.099 1.172 -26.769 1.00 52.05 C ATOM 815 CG LEU A 52 8.805 0.410 -25.647 1.00 54.30 C ATOM 816 CD1 LEU A 52 9.053 -1.033 -26.056 1.00 23.21 C ATOM 817 CD2 LEU A 52 10.113 1.095 -25.278 1.00 55.12 C ATOM 0 H LEU A 52 6.773 -1.061 -28.627 1.00 2.21 H new ATOM 0 HA LEU A 52 6.469 -0.219 -26.592 1.00 63.02 H new ATOM 0 HB2 LEU A 52 8.790 1.269 -27.606 1.00 52.05 H new ATOM 0 HB3 LEU A 52 7.882 2.180 -26.416 1.00 52.05 H new ATOM 0 HG LEU A 52 8.158 0.411 -24.770 1.00 54.30 H new ATOM 0 HD11 LEU A 52 9.556 -1.560 -25.245 1.00 23.21 H new ATOM 0 HD12 LEU A 52 8.101 -1.520 -26.269 1.00 23.21 H new ATOM 0 HD13 LEU A 52 9.680 -1.056 -26.947 1.00 23.21 H new ATOM 0 HD21 LEU A 52 10.602 0.539 -24.478 1.00 55.12 H new ATOM 0 HD22 LEU A 52 10.766 1.126 -26.150 1.00 55.12 H new ATOM 0 HD23 LEU A 52 9.909 2.111 -24.941 1.00 55.12 H new ATOM 829 N THR A 53 4.459 1.181 -27.394 1.00 33.04 N ATOM 830 CA THR A 53 3.329 2.098 -27.473 1.00 72.02 C ATOM 831 C THR A 53 2.793 2.432 -26.086 1.00 0.22 C ATOM 832 O THR A 53 1.581 2.507 -25.878 1.00 62.23 O ATOM 833 CB THR A 53 2.187 1.510 -28.324 1.00 41.20 C ATOM 834 OG1 THR A 53 2.684 0.444 -29.141 1.00 52.20 O ATOM 835 CG2 THR A 53 1.562 2.582 -29.204 1.00 74.55 C ATOM 0 H THR A 53 4.200 0.195 -27.357 1.00 33.04 H new ATOM 0 HA THR A 53 3.694 3.009 -27.947 1.00 72.02 H new ATOM 0 HB THR A 53 1.422 1.124 -27.650 1.00 41.20 H new ATOM 0 HG1 THR A 53 2.029 -0.284 -29.163 1.00 52.20 H new ATOM 0 HG21 THR A 53 0.758 2.144 -29.796 1.00 74.55 H new ATOM 0 HG22 THR A 53 1.159 3.378 -28.577 1.00 74.55 H new ATOM 0 HG23 THR A 53 2.320 2.994 -29.870 1.00 74.55 H new ATOM 843 N LEU A 54 3.702 2.633 -25.138 1.00 43.44 N ATOM 844 CA LEU A 54 3.321 2.961 -23.769 1.00 72.00 C ATOM 845 C LEU A 54 2.379 4.160 -23.738 1.00 54.13 C ATOM 846 O LEU A 54 2.717 5.240 -24.222 1.00 54.41 O ATOM 847 CB LEU A 54 4.565 3.254 -22.928 1.00 73.33 C ATOM 848 CG LEU A 54 5.708 2.245 -23.048 1.00 0.44 C ATOM 849 CD1 LEU A 54 7.017 2.957 -23.352 1.00 64.51 C ATOM 850 CD2 LEU A 54 5.829 1.423 -21.773 1.00 3.32 C ATOM 0 H LEU A 54 4.709 2.574 -25.293 1.00 43.44 H new ATOM 0 HA LEU A 54 2.800 2.101 -23.348 1.00 72.00 H new ATOM 0 HB2 LEU A 54 4.944 4.237 -23.206 1.00 73.33 H new ATOM 0 HB3 LEU A 54 4.266 3.312 -21.881 1.00 73.33 H new ATOM 0 HG LEU A 54 5.486 1.568 -23.873 1.00 0.44 H new ATOM 0 HD11 LEU A 54 7.819 2.224 -23.434 1.00 64.51 H new ATOM 0 HD12 LEU A 54 6.925 3.501 -24.292 1.00 64.51 H new ATOM 0 HD13 LEU A 54 7.246 3.657 -22.548 1.00 64.51 H new ATOM 0 HD21 LEU A 54 6.647 0.710 -21.876 1.00 3.32 H new ATOM 0 HD22 LEU A 54 6.029 2.085 -20.931 1.00 3.32 H new ATOM 0 HD23 LEU A 54 4.898 0.884 -21.598 1.00 3.32 H new ATOM 862 N SER A 55 1.196 3.962 -23.165 1.00 10.55 N ATOM 863 CA SER A 55 0.204 5.027 -23.072 1.00 11.12 C ATOM 864 C SER A 55 0.262 5.706 -21.707 1.00 10.41 C ATOM 865 O SER A 55 0.060 5.068 -20.675 1.00 30.25 O ATOM 866 CB SER A 55 -1.199 4.468 -23.317 1.00 11.43 C ATOM 867 OG SER A 55 -1.711 4.904 -24.564 1.00 63.35 O ATOM 0 H SER A 55 0.901 3.074 -22.758 1.00 10.55 H new ATOM 0 HA SER A 55 0.431 5.769 -23.837 1.00 11.12 H new ATOM 0 HB2 SER A 55 -1.169 3.379 -23.293 1.00 11.43 H new ATOM 0 HB3 SER A 55 -1.866 4.786 -22.515 1.00 11.43 H new ATOM 0 HG SER A 55 -2.608 4.532 -24.698 1.00 63.35 H new ATOM 873 N ALA A 56 0.540 7.006 -21.711 1.00 53.01 N ATOM 874 CA ALA A 56 0.623 7.774 -20.475 1.00 32.53 C ATOM 875 C ALA A 56 -0.484 8.820 -20.403 1.00 1.21 C ATOM 876 O ALA A 56 -0.607 9.669 -21.286 1.00 22.33 O ATOM 877 CB ALA A 56 1.987 8.436 -20.356 1.00 2.25 C ATOM 0 H ALA A 56 0.712 7.549 -22.557 1.00 53.01 H new ATOM 0 HA ALA A 56 0.491 7.087 -19.639 1.00 32.53 H new ATOM 0 HB1 ALA A 56 2.035 9.006 -19.428 1.00 2.25 H new ATOM 0 HB2 ALA A 56 2.764 7.671 -20.352 1.00 2.25 H new ATOM 0 HB3 ALA A 56 2.141 9.106 -21.202 1.00 2.25 H new ATOM 883 N ALA A 57 -1.287 8.753 -19.346 1.00 55.45 N ATOM 884 CA ALA A 57 -2.383 9.696 -19.159 1.00 51.43 C ATOM 885 C ALA A 57 -2.752 9.824 -17.685 1.00 44.21 C ATOM 886 O ALA A 57 -2.707 8.848 -16.938 1.00 3.13 O ATOM 887 CB ALA A 57 -3.595 9.266 -19.973 1.00 23.22 C ATOM 0 H ALA A 57 -1.199 8.056 -18.607 1.00 55.45 H new ATOM 0 HA ALA A 57 -2.052 10.673 -19.510 1.00 51.43 H new ATOM 0 HB1 ALA A 57 -4.405 9.979 -19.824 1.00 23.22 H new ATOM 0 HB2 ALA A 57 -3.331 9.233 -21.030 1.00 23.22 H new ATOM 0 HB3 ALA A 57 -3.918 8.277 -19.649 1.00 23.22 H new ATOM 893 N ASN A 58 -3.115 11.035 -17.274 1.00 33.54 N ATOM 894 CA ASN A 58 -3.490 11.290 -15.888 1.00 34.14 C ATOM 895 C ASN A 58 -4.956 11.702 -15.788 1.00 20.13 C ATOM 896 O ASN A 58 -5.320 12.827 -16.130 1.00 2.14 O ATOM 897 CB ASN A 58 -2.600 12.381 -15.289 1.00 53.13 C ATOM 898 CG ASN A 58 -3.192 12.984 -14.030 1.00 11.00 C ATOM 899 OD1 ASN A 58 -3.890 12.308 -13.273 1.00 45.23 O ATOM 900 ND2 ASN A 58 -2.916 14.262 -13.800 1.00 0.40 N ATOM 0 H ASN A 58 -3.157 11.854 -17.880 1.00 33.54 H new ATOM 0 HA ASN A 58 -3.351 10.367 -15.325 1.00 34.14 H new ATOM 0 HB2 ASN A 58 -1.620 11.962 -15.062 1.00 53.13 H new ATOM 0 HB3 ASN A 58 -2.447 13.168 -16.028 1.00 53.13 H new ATOM 0 HD21 ASN A 58 -3.287 14.722 -12.969 1.00 0.40 H new ATOM 0 HD22 ASN A 58 -2.333 14.784 -14.455 1.00 0.40 H new ATOM 907 N SER A 59 -5.793 10.783 -15.316 1.00 64.14 N ATOM 908 CA SER A 59 -7.219 11.049 -15.174 1.00 73.02 C ATOM 909 C SER A 59 -7.814 11.541 -16.490 1.00 61.03 C ATOM 910 O SER A 59 -8.754 12.335 -16.500 1.00 3.21 O ATOM 911 CB SER A 59 -7.459 12.085 -14.074 1.00 72.22 C ATOM 912 OG SER A 59 -7.021 11.603 -12.816 1.00 35.24 O ATOM 0 H SER A 59 -5.508 9.848 -15.026 1.00 64.14 H new ATOM 0 HA SER A 59 -7.712 10.116 -14.899 1.00 73.02 H new ATOM 0 HB2 SER A 59 -6.932 13.007 -14.317 1.00 72.22 H new ATOM 0 HB3 SER A 59 -8.520 12.328 -14.024 1.00 72.22 H new ATOM 0 HG SER A 59 -6.049 11.709 -12.745 1.00 35.24 H new ATOM 918 N GLU A 60 -7.258 11.062 -17.599 1.00 52.51 N ATOM 919 CA GLU A 60 -7.733 11.454 -18.921 1.00 42.30 C ATOM 920 C GLU A 60 -8.269 10.248 -19.686 1.00 64.34 C ATOM 921 O GLU A 60 -9.142 10.381 -20.544 1.00 20.22 O ATOM 922 CB GLU A 60 -6.606 12.117 -19.716 1.00 40.02 C ATOM 923 CG GLU A 60 -7.028 13.396 -20.419 1.00 51.14 C ATOM 924 CD GLU A 60 -6.039 13.831 -21.483 1.00 64.21 C ATOM 925 OE1 GLU A 60 -5.340 12.955 -22.036 1.00 2.43 O ATOM 926 OE2 GLU A 60 -5.963 15.045 -21.763 1.00 4.33 O ATOM 0 H GLU A 60 -6.479 10.403 -17.608 1.00 52.51 H new ATOM 0 HA GLU A 60 -8.545 12.169 -18.790 1.00 42.30 H new ATOM 0 HB2 GLU A 60 -5.779 12.339 -19.042 1.00 40.02 H new ATOM 0 HB3 GLU A 60 -6.232 11.411 -20.458 1.00 40.02 H new ATOM 0 HG2 GLU A 60 -8.006 13.249 -20.876 1.00 51.14 H new ATOM 0 HG3 GLU A 60 -7.137 14.192 -19.682 1.00 51.14 H new ATOM 933 N ASP A 61 -7.739 9.071 -19.370 1.00 45.34 N ATOM 934 CA ASP A 61 -8.163 7.840 -20.027 1.00 42.31 C ATOM 935 C ASP A 61 -9.313 7.188 -19.267 1.00 73.30 C ATOM 936 O ASP A 61 -9.121 6.643 -18.181 1.00 33.52 O ATOM 937 CB ASP A 61 -6.990 6.865 -20.137 1.00 3.20 C ATOM 938 CG ASP A 61 -7.336 5.631 -20.947 1.00 13.32 C ATOM 939 OD1 ASP A 61 -7.780 5.786 -22.104 1.00 40.11 O ATOM 940 OD2 ASP A 61 -7.163 4.511 -20.424 1.00 30.12 O ATOM 0 H ASP A 61 -7.015 8.944 -18.663 1.00 45.34 H new ATOM 0 HA ASP A 61 -8.510 8.093 -21.029 1.00 42.31 H new ATOM 0 HB2 ASP A 61 -6.142 7.372 -20.597 1.00 3.20 H new ATOM 0 HB3 ASP A 61 -6.677 6.564 -19.137 1.00 3.20 H new ATOM 945 N GLU A 62 -10.509 7.249 -19.846 1.00 25.21 N ATOM 946 CA GLU A 62 -11.690 6.665 -19.221 1.00 42.23 C ATOM 947 C GLU A 62 -12.665 6.151 -20.276 1.00 53.22 C ATOM 948 O GLU A 62 -13.853 5.977 -20.007 1.00 0.02 O ATOM 949 CB GLU A 62 -12.384 7.696 -18.328 1.00 63.23 C ATOM 950 CG GLU A 62 -12.373 7.329 -16.854 1.00 5.43 C ATOM 951 CD GLU A 62 -13.103 8.344 -15.995 1.00 22.50 C ATOM 952 OE1 GLU A 62 -14.306 8.571 -16.240 1.00 72.33 O ATOM 953 OE2 GLU A 62 -12.472 8.910 -15.078 1.00 62.15 O ATOM 0 H GLU A 62 -10.685 7.696 -20.746 1.00 25.21 H new ATOM 0 HA GLU A 62 -11.367 5.823 -18.608 1.00 42.23 H new ATOM 0 HB2 GLU A 62 -11.897 8.663 -18.457 1.00 63.23 H new ATOM 0 HB3 GLU A 62 -13.417 7.813 -18.657 1.00 63.23 H new ATOM 0 HG2 GLU A 62 -12.834 6.350 -16.724 1.00 5.43 H new ATOM 0 HG3 GLU A 62 -11.341 7.244 -16.512 1.00 5.43 H new ATOM 960 N GLY A 63 -12.154 5.911 -21.480 1.00 22.31 N ATOM 961 CA GLY A 63 -12.993 5.420 -22.558 1.00 5.13 C ATOM 962 C GLY A 63 -13.505 4.017 -22.301 1.00 13.04 C ATOM 963 O GLY A 63 -14.471 3.829 -21.562 1.00 34.21 O ATOM 0 H GLY A 63 -11.174 6.048 -21.728 1.00 22.31 H new ATOM 0 HA2 GLY A 63 -13.840 6.094 -22.691 1.00 5.13 H new ATOM 0 HA3 GLY A 63 -12.427 5.432 -23.489 1.00 5.13 H new ATOM 967 N GLN A 64 -12.858 3.031 -22.913 1.00 32.31 N ATOM 968 CA GLN A 64 -13.257 1.638 -22.748 1.00 21.13 C ATOM 969 C GLN A 64 -12.095 0.797 -22.230 1.00 63.31 C ATOM 970 O GLN A 64 -11.018 0.773 -22.828 1.00 14.42 O ATOM 971 CB GLN A 64 -13.762 1.069 -24.075 1.00 12.23 C ATOM 972 CG GLN A 64 -15.272 1.148 -24.235 1.00 1.02 C ATOM 973 CD GLN A 64 -15.890 -0.186 -24.606 1.00 1.34 C ATOM 974 OE1 GLN A 64 -15.544 -1.222 -24.039 1.00 24.54 O ATOM 975 NE2 GLN A 64 -16.811 -0.166 -25.562 1.00 62.31 N ATOM 0 H GLN A 64 -12.056 3.170 -23.527 1.00 32.31 H new ATOM 0 HA GLN A 64 -14.063 1.602 -22.015 1.00 21.13 H new ATOM 0 HB2 GLN A 64 -13.289 1.609 -24.896 1.00 12.23 H new ATOM 0 HB3 GLN A 64 -13.450 0.028 -24.157 1.00 12.23 H new ATOM 0 HG2 GLN A 64 -15.714 1.503 -23.304 1.00 1.02 H new ATOM 0 HG3 GLN A 64 -15.514 1.883 -25.003 1.00 1.02 H new ATOM 0 HE21 GLN A 64 -17.067 0.716 -26.005 1.00 62.31 H new ATOM 0 HE22 GLN A 64 -17.262 -1.033 -25.853 1.00 62.31 H new ATOM 984 N ILE A 65 -12.319 0.108 -21.116 1.00 54.12 N ATOM 985 CA ILE A 65 -11.291 -0.735 -20.519 1.00 41.22 C ATOM 986 C ILE A 65 -11.901 -1.977 -19.880 1.00 32.32 C ATOM 987 O ILE A 65 -12.987 -1.921 -19.302 1.00 42.00 O ATOM 988 CB ILE A 65 -10.482 0.032 -19.456 1.00 33.42 C ATOM 989 CG1 ILE A 65 -9.453 -0.893 -18.803 1.00 5.43 C ATOM 990 CG2 ILE A 65 -11.413 0.622 -18.407 1.00 3.12 C ATOM 991 CD1 ILE A 65 -8.143 -0.207 -18.482 1.00 62.12 C ATOM 0 H ILE A 65 -13.204 0.117 -20.609 1.00 54.12 H new ATOM 0 HA ILE A 65 -10.622 -1.036 -21.325 1.00 41.22 H new ATOM 0 HB ILE A 65 -9.951 0.850 -19.943 1.00 33.42 H new ATOM 0 HG12 ILE A 65 -9.875 -1.302 -17.885 1.00 5.43 H new ATOM 0 HG13 ILE A 65 -9.260 -1.735 -19.467 1.00 5.43 H new ATOM 0 HG21 ILE A 65 -10.827 1.161 -17.662 1.00 3.12 H new ATOM 0 HG22 ILE A 65 -12.112 1.308 -18.885 1.00 3.12 H new ATOM 0 HG23 ILE A 65 -11.968 -0.180 -17.921 1.00 3.12 H new ATOM 0 HD11 ILE A 65 -7.461 -0.922 -18.021 1.00 62.12 H new ATOM 0 HD12 ILE A 65 -7.699 0.178 -19.400 1.00 62.12 H new ATOM 0 HD13 ILE A 65 -8.324 0.618 -17.793 1.00 62.12 H new ATOM 1003 N ARG A 66 -11.195 -3.098 -19.986 1.00 20.22 N ATOM 1004 CA ARG A 66 -11.667 -4.355 -19.417 1.00 63.13 C ATOM 1005 C ARG A 66 -10.586 -5.002 -18.556 1.00 63.14 C ATOM 1006 O ARG A 66 -9.393 -4.858 -18.827 1.00 73.24 O ATOM 1007 CB ARG A 66 -12.090 -5.316 -20.530 1.00 53.41 C ATOM 1008 CG ARG A 66 -13.040 -6.407 -20.064 1.00 13.31 C ATOM 1009 CD ARG A 66 -14.482 -5.924 -20.057 1.00 74.45 C ATOM 1010 NE ARG A 66 -15.249 -6.476 -21.171 1.00 71.33 N ATOM 1011 CZ ARG A 66 -16.573 -6.413 -21.254 1.00 74.54 C ATOM 1012 NH1 ARG A 66 -17.274 -5.826 -20.295 1.00 11.34 N ATOM 1013 NH2 ARG A 66 -17.199 -6.939 -22.300 1.00 13.02 N ATOM 0 H ARG A 66 -10.294 -3.162 -20.460 1.00 20.22 H new ATOM 0 HA ARG A 66 -12.529 -4.138 -18.786 1.00 63.13 H new ATOM 0 HB2 ARG A 66 -12.567 -4.747 -21.328 1.00 53.41 H new ATOM 0 HB3 ARG A 66 -11.200 -5.779 -20.957 1.00 53.41 H new ATOM 0 HG2 ARG A 66 -12.949 -7.274 -20.718 1.00 13.31 H new ATOM 0 HG3 ARG A 66 -12.759 -6.732 -19.062 1.00 13.31 H new ATOM 0 HD2 ARG A 66 -14.954 -6.207 -19.116 1.00 74.45 H new ATOM 0 HD3 ARG A 66 -14.500 -4.835 -20.108 1.00 74.45 H new ATOM 0 HE ARG A 66 -14.740 -6.935 -21.926 1.00 71.33 H new ATOM 0 HH11 ARG A 66 -16.797 -5.421 -19.490 1.00 11.34 H new ATOM 0 HH12 ARG A 66 -18.291 -5.779 -20.362 1.00 11.34 H new ATOM 0 HH21 ARG A 66 -16.663 -7.392 -23.040 1.00 13.02 H new ATOM 0 HH22 ARG A 66 -18.216 -6.890 -22.363 1.00 13.02 H new ATOM 1027 N TYR A 67 -11.011 -5.714 -17.519 1.00 3.14 N ATOM 1028 CA TYR A 67 -10.079 -6.380 -16.616 1.00 74.52 C ATOM 1029 C TYR A 67 -9.725 -7.773 -17.130 1.00 14.23 C ATOM 1030 O TYR A 67 -10.599 -8.622 -17.309 1.00 3.13 O ATOM 1031 CB TYR A 67 -10.679 -6.480 -15.213 1.00 12.44 C ATOM 1032 CG TYR A 67 -10.993 -5.137 -14.592 1.00 22.02 C ATOM 1033 CD1 TYR A 67 -10.024 -4.432 -13.887 1.00 72.44 C ATOM 1034 CD2 TYR A 67 -12.257 -4.574 -14.709 1.00 13.43 C ATOM 1035 CE1 TYR A 67 -10.306 -3.206 -13.318 1.00 11.31 C ATOM 1036 CE2 TYR A 67 -12.548 -3.347 -14.144 1.00 3.12 C ATOM 1037 CZ TYR A 67 -11.569 -2.667 -13.449 1.00 50.03 C ATOM 1038 OH TYR A 67 -11.855 -1.445 -12.884 1.00 22.42 O ATOM 0 H TYR A 67 -11.994 -5.845 -17.282 1.00 3.14 H new ATOM 0 HA TYR A 67 -9.167 -5.785 -16.572 1.00 74.52 H new ATOM 0 HB2 TYR A 67 -11.593 -7.072 -15.259 1.00 12.44 H new ATOM 0 HB3 TYR A 67 -9.984 -7.016 -14.567 1.00 12.44 H new ATOM 0 HD1 TYR A 67 -9.034 -4.850 -13.783 1.00 72.44 H new ATOM 0 HD2 TYR A 67 -13.026 -5.104 -15.251 1.00 13.43 H new ATOM 0 HE1 TYR A 67 -9.542 -2.672 -12.773 1.00 11.31 H new ATOM 0 HE2 TYR A 67 -13.536 -2.923 -14.246 1.00 3.12 H new ATOM 0 HH TYR A 67 -12.788 -1.209 -13.070 1.00 22.42 H new ATOM 1048 N PHE A 68 -8.437 -8.000 -17.364 1.00 52.23 N ATOM 1049 CA PHE A 68 -7.966 -9.289 -17.858 1.00 5.54 C ATOM 1050 C PHE A 68 -7.220 -10.049 -16.765 1.00 62.20 C ATOM 1051 O PHE A 68 -6.512 -9.455 -15.951 1.00 41.51 O ATOM 1052 CB PHE A 68 -7.054 -9.092 -19.071 1.00 10.44 C ATOM 1053 CG PHE A 68 -6.432 -10.366 -19.566 1.00 3.30 C ATOM 1054 CD1 PHE A 68 -7.050 -11.116 -20.554 1.00 4.24 C ATOM 1055 CD2 PHE A 68 -5.229 -10.814 -19.044 1.00 11.45 C ATOM 1056 CE1 PHE A 68 -6.480 -12.289 -21.012 1.00 5.50 C ATOM 1057 CE2 PHE A 68 -4.654 -11.985 -19.498 1.00 71.23 C ATOM 1058 CZ PHE A 68 -5.281 -12.724 -20.483 1.00 24.23 C ATOM 0 H PHE A 68 -7.701 -7.309 -17.220 1.00 52.23 H new ATOM 0 HA PHE A 68 -8.835 -9.876 -18.157 1.00 5.54 H new ATOM 0 HB2 PHE A 68 -7.630 -8.640 -19.879 1.00 10.44 H new ATOM 0 HB3 PHE A 68 -6.263 -8.388 -18.811 1.00 10.44 H new ATOM 0 HD1 PHE A 68 -7.988 -10.780 -20.971 1.00 4.24 H new ATOM 0 HD2 PHE A 68 -4.735 -10.241 -18.273 1.00 11.45 H new ATOM 0 HE1 PHE A 68 -6.972 -12.864 -21.782 1.00 5.50 H new ATOM 0 HE2 PHE A 68 -3.716 -12.323 -19.084 1.00 71.23 H new ATOM 0 HZ PHE A 68 -4.834 -13.641 -20.839 1.00 24.23 H new ATOM 1068 N LEU A 69 -7.384 -11.367 -16.753 1.00 32.31 N ATOM 1069 CA LEU A 69 -6.728 -12.211 -15.760 1.00 65.14 C ATOM 1070 C LEU A 69 -7.029 -13.685 -16.013 1.00 51.24 C ATOM 1071 O LEU A 69 -6.134 -14.493 -16.261 1.00 33.31 O ATOM 1072 CB LEU A 69 -7.179 -11.821 -14.352 1.00 5.12 C ATOM 1073 CG LEU A 69 -6.128 -11.137 -13.476 1.00 52.32 C ATOM 1074 CD1 LEU A 69 -6.796 -10.339 -12.367 1.00 3.13 C ATOM 1075 CD2 LEU A 69 -5.168 -12.164 -12.894 1.00 13.33 C ATOM 0 H LEU A 69 -7.966 -11.875 -17.420 1.00 32.31 H new ATOM 0 HA LEU A 69 -5.652 -12.059 -15.845 1.00 65.14 H new ATOM 0 HB2 LEU A 69 -8.039 -11.157 -14.438 1.00 5.12 H new ATOM 0 HB3 LEU A 69 -7.521 -12.720 -13.839 1.00 5.12 H new ATOM 0 HG LEU A 69 -5.557 -10.448 -14.098 1.00 52.32 H new ATOM 0 HD11 LEU A 69 -6.033 -9.859 -11.754 1.00 3.13 H new ATOM 0 HD12 LEU A 69 -7.441 -9.578 -12.805 1.00 3.13 H new ATOM 0 HD13 LEU A 69 -7.393 -11.007 -11.747 1.00 3.13 H new ATOM 0 HD21 LEU A 69 -4.427 -11.659 -12.274 1.00 13.33 H new ATOM 0 HD22 LEU A 69 -5.724 -12.878 -12.287 1.00 13.33 H new ATOM 0 HD23 LEU A 69 -4.664 -12.691 -13.704 1.00 13.33 H new ATOM 1087 N PRO A 70 -8.320 -14.044 -15.952 1.00 51.23 N ATOM 1088 CA PRO A 70 -8.770 -15.421 -16.175 1.00 30.14 C ATOM 1089 C PRO A 70 -8.617 -15.853 -17.629 1.00 33.20 C ATOM 1090 O PRO A 70 -8.809 -17.023 -17.962 1.00 44.23 O ATOM 1091 CB PRO A 70 -10.249 -15.379 -15.782 1.00 1.21 C ATOM 1092 CG PRO A 70 -10.654 -13.959 -15.984 1.00 30.55 C ATOM 1093 CD PRO A 70 -9.440 -13.133 -15.662 1.00 41.40 C ATOM 0 HA PRO A 70 -8.183 -16.139 -15.603 1.00 30.14 H new ATOM 0 HB2 PRO A 70 -10.842 -16.052 -16.401 1.00 1.21 H new ATOM 0 HB3 PRO A 70 -10.393 -15.688 -14.747 1.00 1.21 H new ATOM 0 HG2 PRO A 70 -10.981 -13.789 -17.010 1.00 30.55 H new ATOM 0 HG3 PRO A 70 -11.489 -13.695 -15.335 1.00 30.55 H new ATOM 0 HD2 PRO A 70 -9.394 -12.232 -16.273 1.00 41.40 H new ATOM 0 HD3 PRO A 70 -9.437 -12.812 -14.620 1.00 41.40 H new ATOM 1101 N ASP A 71 -8.271 -14.903 -18.490 1.00 53.13 N ATOM 1102 CA ASP A 71 -8.091 -15.186 -19.909 1.00 72.15 C ATOM 1103 C ASP A 71 -9.242 -16.033 -20.445 1.00 43.30 C ATOM 1104 O ASP A 71 -9.050 -16.872 -21.325 1.00 74.10 O ATOM 1105 CB ASP A 71 -6.761 -15.904 -20.143 1.00 72.23 C ATOM 1106 CG ASP A 71 -6.748 -17.303 -19.560 1.00 34.41 C ATOM 1107 OD1 ASP A 71 -6.312 -17.459 -18.400 1.00 11.01 O ATOM 1108 OD2 ASP A 71 -7.175 -18.243 -20.263 1.00 14.21 O ATOM 0 H ASP A 71 -8.109 -13.930 -18.230 1.00 53.13 H new ATOM 0 HA ASP A 71 -8.082 -14.237 -20.445 1.00 72.15 H new ATOM 0 HB2 ASP A 71 -6.564 -15.958 -21.214 1.00 72.23 H new ATOM 0 HB3 ASP A 71 -5.954 -15.321 -19.699 1.00 72.23 H new ATOM 1113 N ARG A 72 -10.436 -15.807 -19.907 1.00 41.03 N ATOM 1114 CA ARG A 72 -11.617 -16.551 -20.329 1.00 43.45 C ATOM 1115 C ARG A 72 -12.786 -15.608 -20.598 1.00 0.43 C ATOM 1116 O ARG A 72 -13.948 -16.005 -20.515 1.00 13.44 O ATOM 1117 CB ARG A 72 -12.008 -17.575 -19.263 1.00 74.43 C ATOM 1118 CG ARG A 72 -12.372 -18.937 -19.832 1.00 32.20 C ATOM 1119 CD ARG A 72 -12.476 -19.988 -18.738 1.00 30.12 C ATOM 1120 NE ARG A 72 -11.685 -21.177 -19.044 1.00 73.22 N ATOM 1121 CZ ARG A 72 -11.752 -22.304 -18.344 1.00 65.22 C ATOM 1122 NH1 ARG A 72 -12.568 -22.395 -17.304 1.00 31.24 N ATOM 1123 NH2 ARG A 72 -11.000 -23.343 -18.685 1.00 73.51 N ATOM 0 H ARG A 72 -10.611 -15.115 -19.178 1.00 41.03 H new ATOM 0 HA ARG A 72 -11.375 -17.074 -21.254 1.00 43.45 H new ATOM 0 HB2 ARG A 72 -11.181 -17.692 -18.563 1.00 74.43 H new ATOM 0 HB3 ARG A 72 -12.855 -17.190 -18.694 1.00 74.43 H new ATOM 0 HG2 ARG A 72 -13.321 -18.869 -20.364 1.00 32.20 H new ATOM 0 HG3 ARG A 72 -11.620 -19.241 -20.560 1.00 32.20 H new ATOM 0 HD2 ARG A 72 -12.139 -19.562 -17.793 1.00 30.12 H new ATOM 0 HD3 ARG A 72 -13.520 -20.271 -18.606 1.00 30.12 H new ATOM 0 HE ARG A 72 -11.046 -21.140 -19.838 1.00 73.22 H new ATOM 0 HH11 ARG A 72 -13.147 -21.598 -17.039 1.00 31.24 H new ATOM 0 HH12 ARG A 72 -12.617 -23.262 -16.769 1.00 31.24 H new ATOM 0 HH21 ARG A 72 -10.370 -23.276 -19.485 1.00 73.51 H new ATOM 0 HH22 ARG A 72 -11.052 -24.208 -18.147 1.00 73.51 H new ATOM 1137 N ASP A 73 -12.470 -14.358 -20.919 1.00 64.00 N ATOM 1138 CA ASP A 73 -13.493 -13.358 -21.200 1.00 74.20 C ATOM 1139 C ASP A 73 -13.755 -13.255 -22.699 1.00 41.24 C ATOM 1140 O ASP A 73 -14.046 -12.176 -23.215 1.00 35.23 O ATOM 1141 CB ASP A 73 -13.071 -11.996 -20.648 1.00 40.32 C ATOM 1142 CG ASP A 73 -14.199 -10.983 -20.681 1.00 23.12 C ATOM 1143 OD1 ASP A 73 -15.374 -11.401 -20.617 1.00 30.02 O ATOM 1144 OD2 ASP A 73 -13.906 -9.772 -20.769 1.00 71.53 O ATOM 0 H ASP A 73 -11.513 -14.013 -20.991 1.00 64.00 H new ATOM 0 HA ASP A 73 -14.415 -13.670 -20.709 1.00 74.20 H new ATOM 0 HB2 ASP A 73 -12.723 -12.115 -19.622 1.00 40.32 H new ATOM 0 HB3 ASP A 73 -12.229 -11.617 -21.228 1.00 40.32 H new ATOM 1149 N GLU A 74 -13.647 -14.384 -23.393 1.00 51.31 N ATOM 1150 CA GLU A 74 -13.870 -14.419 -24.834 1.00 12.53 C ATOM 1151 C GLU A 74 -12.899 -13.490 -25.557 1.00 54.32 C ATOM 1152 O GLU A 74 -13.287 -12.753 -26.463 1.00 64.13 O ATOM 1153 CB GLU A 74 -15.312 -14.021 -25.159 1.00 4.03 C ATOM 1154 CG GLU A 74 -16.352 -14.879 -24.459 1.00 12.01 C ATOM 1155 CD GLU A 74 -17.683 -14.890 -25.185 1.00 14.21 C ATOM 1156 OE1 GLU A 74 -18.007 -13.880 -25.844 1.00 51.40 O ATOM 1157 OE2 GLU A 74 -18.401 -15.907 -25.094 1.00 32.51 O ATOM 0 H GLU A 74 -13.407 -15.286 -22.981 1.00 51.31 H new ATOM 0 HA GLU A 74 -13.696 -15.438 -25.179 1.00 12.53 H new ATOM 0 HB2 GLU A 74 -15.464 -12.979 -24.879 1.00 4.03 H new ATOM 0 HB3 GLU A 74 -15.464 -14.087 -26.236 1.00 4.03 H new ATOM 0 HG2 GLU A 74 -15.979 -15.900 -24.376 1.00 12.01 H new ATOM 0 HG3 GLU A 74 -16.499 -14.510 -23.444 1.00 12.01 H new ATOM 1164 N GLY A 75 -11.635 -13.531 -25.149 1.00 4.42 N ATOM 1165 CA GLY A 75 -10.628 -12.688 -25.767 1.00 62.24 C ATOM 1166 C GLY A 75 -9.289 -13.386 -25.899 1.00 23.33 C ATOM 1167 O GLY A 75 -8.575 -13.195 -26.883 1.00 13.41 O ATOM 0 H GLY A 75 -11.290 -14.133 -24.401 1.00 4.42 H new ATOM 0 HA2 GLY A 75 -10.973 -12.380 -26.754 1.00 62.24 H new ATOM 0 HA3 GLY A 75 -10.505 -11.781 -25.175 1.00 62.24 H new ATOM 1171 N MET A 76 -8.946 -14.197 -24.903 1.00 62.32 N ATOM 1172 CA MET A 76 -7.683 -14.926 -24.912 1.00 44.21 C ATOM 1173 C MET A 76 -7.487 -15.658 -26.236 1.00 23.23 C ATOM 1174 O MET A 76 -6.359 -15.839 -26.695 1.00 12.15 O ATOM 1175 CB MET A 76 -7.636 -15.923 -23.752 1.00 41.35 C ATOM 1176 CG MET A 76 -6.454 -16.876 -23.818 1.00 5.34 C ATOM 1177 SD MET A 76 -6.874 -18.453 -24.584 1.00 42.45 S ATOM 1178 CE MET A 76 -6.776 -19.552 -23.174 1.00 10.12 C ATOM 0 H MET A 76 -9.525 -14.366 -24.080 1.00 62.32 H new ATOM 0 HA MET A 76 -6.875 -14.204 -24.793 1.00 44.21 H new ATOM 0 HB2 MET A 76 -7.597 -15.373 -22.812 1.00 41.35 H new ATOM 0 HB3 MET A 76 -8.559 -16.502 -23.744 1.00 41.35 H new ATOM 0 HG2 MET A 76 -5.646 -16.408 -24.380 1.00 5.34 H new ATOM 0 HG3 MET A 76 -6.080 -17.055 -22.810 1.00 5.34 H new ATOM 0 HE1 MET A 76 -6.781 -20.586 -23.518 1.00 10.12 H new ATOM 0 HE2 MET A 76 -5.856 -19.357 -22.624 1.00 10.12 H new ATOM 0 HE3 MET A 76 -7.632 -19.383 -22.521 1.00 10.12 H new ATOM 1188 N MET A 77 -8.591 -16.078 -26.844 1.00 54.50 N ATOM 1189 CA MET A 77 -8.540 -16.790 -28.116 1.00 2.53 C ATOM 1190 C MET A 77 -7.893 -15.928 -29.195 1.00 41.24 C ATOM 1191 O MET A 77 -7.110 -16.419 -30.007 1.00 63.41 O ATOM 1192 CB MET A 77 -9.947 -17.202 -28.551 1.00 52.01 C ATOM 1193 CG MET A 77 -10.923 -16.040 -28.632 1.00 15.44 C ATOM 1194 SD MET A 77 -12.604 -16.569 -29.012 1.00 74.53 S ATOM 1195 CE MET A 77 -13.221 -15.135 -29.891 1.00 23.34 C ATOM 0 H MET A 77 -9.532 -15.938 -26.477 1.00 54.50 H new ATOM 0 HA MET A 77 -7.934 -17.685 -27.979 1.00 2.53 H new ATOM 0 HB2 MET A 77 -9.890 -17.686 -29.526 1.00 52.01 H new ATOM 0 HB3 MET A 77 -10.333 -17.942 -27.850 1.00 52.01 H new ATOM 0 HG2 MET A 77 -10.921 -15.503 -27.684 1.00 15.44 H new ATOM 0 HG3 MET A 77 -10.585 -15.340 -29.396 1.00 15.44 H new ATOM 0 HE1 MET A 77 -14.254 -15.310 -30.193 1.00 23.34 H new ATOM 0 HE2 MET A 77 -13.176 -14.262 -29.240 1.00 23.34 H new ATOM 0 HE3 MET A 77 -12.609 -14.960 -30.776 1.00 23.34 H new ATOM 1205 N GLU A 78 -8.226 -14.641 -29.198 1.00 53.11 N ATOM 1206 CA GLU A 78 -7.678 -13.712 -30.179 1.00 63.45 C ATOM 1207 C GLU A 78 -6.391 -13.074 -29.665 1.00 23.33 C ATOM 1208 O GLU A 78 -5.580 -12.574 -30.443 1.00 63.45 O ATOM 1209 CB GLU A 78 -8.701 -12.625 -30.513 1.00 50.13 C ATOM 1210 CG GLU A 78 -9.483 -12.896 -31.788 1.00 1.53 C ATOM 1211 CD GLU A 78 -10.250 -11.680 -32.271 1.00 12.03 C ATOM 1212 OE1 GLU A 78 -11.260 -11.323 -31.628 1.00 40.12 O ATOM 1213 OE2 GLU A 78 -9.842 -11.086 -33.290 1.00 65.33 O ATOM 0 H GLU A 78 -8.873 -14.218 -28.532 1.00 53.11 H new ATOM 0 HA GLU A 78 -7.448 -14.274 -31.084 1.00 63.45 H new ATOM 0 HB2 GLU A 78 -9.400 -12.528 -29.682 1.00 50.13 H new ATOM 0 HB3 GLU A 78 -8.185 -11.670 -30.609 1.00 50.13 H new ATOM 0 HG2 GLU A 78 -8.796 -13.221 -32.569 1.00 1.53 H new ATOM 0 HG3 GLU A 78 -10.180 -13.716 -31.615 1.00 1.53 H new ATOM 1220 N GLU A 79 -6.212 -13.095 -28.348 1.00 32.55 N ATOM 1221 CA GLU A 79 -5.025 -12.518 -27.729 1.00 1.32 C ATOM 1222 C GLU A 79 -4.027 -13.607 -27.344 1.00 53.52 C ATOM 1223 O GLU A 79 -3.153 -13.394 -26.505 1.00 61.33 O ATOM 1224 CB GLU A 79 -5.412 -11.705 -26.491 1.00 43.04 C ATOM 1225 CG GLU A 79 -4.961 -10.255 -26.550 1.00 24.20 C ATOM 1226 CD GLU A 79 -5.993 -9.348 -27.191 1.00 33.33 C ATOM 1227 OE1 GLU A 79 -7.133 -9.295 -26.682 1.00 23.52 O ATOM 1228 OE2 GLU A 79 -5.663 -8.692 -28.200 1.00 62.22 O ATOM 0 H GLU A 79 -6.874 -13.505 -27.689 1.00 32.55 H new ATOM 0 HA GLU A 79 -4.553 -11.857 -28.456 1.00 1.32 H new ATOM 0 HB2 GLU A 79 -6.495 -11.735 -26.371 1.00 43.04 H new ATOM 0 HB3 GLU A 79 -4.980 -12.176 -25.608 1.00 43.04 H new ATOM 0 HG2 GLU A 79 -4.751 -9.903 -25.540 1.00 24.20 H new ATOM 0 HG3 GLU A 79 -4.028 -10.191 -27.111 1.00 24.20 H new ATOM 1235 N GLY A 80 -4.166 -14.774 -27.965 1.00 33.44 N ATOM 1236 CA GLY A 80 -3.272 -15.880 -27.674 1.00 41.32 C ATOM 1237 C GLY A 80 -3.320 -16.959 -28.737 1.00 60.22 C ATOM 1238 O GLY A 80 -2.292 -17.533 -29.098 1.00 1.23 O ATOM 0 H GLY A 80 -4.881 -14.974 -28.664 1.00 33.44 H new ATOM 0 HA2 GLY A 80 -2.252 -15.505 -27.587 1.00 41.32 H new ATOM 0 HA3 GLY A 80 -3.536 -16.313 -26.709 1.00 41.32 H new ATOM 1242 N LYS A 81 -4.517 -17.239 -29.240 1.00 55.14 N ATOM 1243 CA LYS A 81 -4.697 -18.257 -30.268 1.00 72.24 C ATOM 1244 C LYS A 81 -4.787 -17.623 -31.653 1.00 13.14 C ATOM 1245 O LYS A 81 -5.298 -18.232 -32.594 1.00 10.23 O ATOM 1246 CB LYS A 81 -5.959 -19.077 -29.988 1.00 63.03 C ATOM 1247 CG LYS A 81 -5.746 -20.577 -30.099 1.00 54.11 C ATOM 1248 CD LYS A 81 -6.977 -21.349 -29.652 1.00 44.32 C ATOM 1249 CE LYS A 81 -6.603 -22.530 -28.770 1.00 73.32 C ATOM 1250 NZ LYS A 81 -7.780 -23.392 -28.470 1.00 71.35 N ATOM 0 H LYS A 81 -5.378 -16.775 -28.952 1.00 55.14 H new ATOM 0 HA LYS A 81 -3.830 -18.917 -30.246 1.00 72.24 H new ATOM 0 HB2 LYS A 81 -6.320 -18.843 -28.986 1.00 63.03 H new ATOM 0 HB3 LYS A 81 -6.740 -18.777 -30.687 1.00 63.03 H new ATOM 0 HG2 LYS A 81 -5.507 -20.836 -31.130 1.00 54.11 H new ATOM 0 HG3 LYS A 81 -4.891 -20.870 -29.490 1.00 54.11 H new ATOM 0 HD2 LYS A 81 -7.647 -20.684 -29.107 1.00 44.32 H new ATOM 0 HD3 LYS A 81 -7.522 -21.704 -30.526 1.00 44.32 H new ATOM 0 HE2 LYS A 81 -5.834 -23.124 -29.265 1.00 73.32 H new ATOM 0 HE3 LYS A 81 -6.173 -22.165 -27.837 1.00 73.32 H new ATOM 0 HZ1 LYS A 81 -7.484 -24.186 -27.867 1.00 71.35 H new ATOM 0 HZ2 LYS A 81 -8.503 -22.832 -27.975 1.00 71.35 H new ATOM 0 HZ3 LYS A 81 -8.175 -23.761 -29.358 1.00 71.35 H new ATOM 1264 N LEU A 82 -4.287 -16.398 -31.771 1.00 15.34 N ATOM 1265 CA LEU A 82 -4.310 -15.681 -33.041 1.00 72.21 C ATOM 1266 C LEU A 82 -2.939 -15.093 -33.359 1.00 13.20 C ATOM 1267 O LEU A 82 -2.363 -15.369 -34.411 1.00 62.31 O ATOM 1268 CB LEU A 82 -5.359 -14.568 -33.003 1.00 30.41 C ATOM 1269 CG LEU A 82 -6.609 -14.794 -33.854 1.00 61.53 C ATOM 1270 CD1 LEU A 82 -6.258 -14.771 -35.334 1.00 32.01 C ATOM 1271 CD2 LEU A 82 -7.276 -16.111 -33.483 1.00 40.12 C ATOM 0 H LEU A 82 -3.861 -15.880 -31.002 1.00 15.34 H new ATOM 0 HA LEU A 82 -4.572 -16.391 -33.826 1.00 72.21 H new ATOM 0 HB2 LEU A 82 -5.670 -14.424 -31.968 1.00 30.41 H new ATOM 0 HB3 LEU A 82 -4.887 -13.640 -33.326 1.00 30.41 H new ATOM 0 HG LEU A 82 -7.312 -13.985 -33.655 1.00 61.53 H new ATOM 0 HD11 LEU A 82 -7.160 -14.934 -35.924 1.00 32.01 H new ATOM 0 HD12 LEU A 82 -5.826 -13.804 -35.590 1.00 32.01 H new ATOM 0 HD13 LEU A 82 -5.537 -15.559 -35.549 1.00 32.01 H new ATOM 0 HD21 LEU A 82 -8.164 -16.255 -34.099 1.00 40.12 H new ATOM 0 HD22 LEU A 82 -6.579 -16.932 -33.653 1.00 40.12 H new ATOM 0 HD23 LEU A 82 -7.563 -16.090 -32.432 1.00 40.12 H new ATOM 1283 N ASP A 83 -2.422 -14.282 -32.442 1.00 72.32 N ATOM 1284 CA ASP A 83 -1.117 -13.657 -32.623 1.00 31.20 C ATOM 1285 C ASP A 83 -0.138 -14.124 -31.550 1.00 41.13 C ATOM 1286 O ASP A 83 -0.403 -13.995 -30.356 1.00 32.24 O ATOM 1287 CB ASP A 83 -1.248 -12.134 -32.584 1.00 3.10 C ATOM 1288 CG ASP A 83 -2.552 -11.649 -33.185 1.00 73.00 C ATOM 1289 OD1 ASP A 83 -3.422 -11.184 -32.419 1.00 34.01 O ATOM 1290 OD2 ASP A 83 -2.703 -11.734 -34.422 1.00 10.34 O ATOM 0 H ASP A 83 -2.887 -14.042 -31.566 1.00 72.32 H new ATOM 0 HA ASP A 83 -0.730 -13.955 -33.597 1.00 31.20 H new ATOM 0 HB2 ASP A 83 -1.178 -11.793 -31.551 1.00 3.10 H new ATOM 0 HB3 ASP A 83 -0.414 -11.687 -33.124 1.00 3.10 H new ATOM 1295 N ALA A 84 0.994 -14.667 -31.986 1.00 22.12 N ATOM 1296 CA ALA A 84 2.013 -15.152 -31.063 1.00 61.12 C ATOM 1297 C ALA A 84 2.483 -14.041 -30.131 1.00 0.23 C ATOM 1298 O ALA A 84 2.931 -14.302 -29.014 1.00 63.25 O ATOM 1299 CB ALA A 84 3.191 -15.730 -31.834 1.00 33.21 C ATOM 0 H ALA A 84 1.228 -14.782 -32.972 1.00 22.12 H new ATOM 0 HA ALA A 84 1.570 -15.939 -30.453 1.00 61.12 H new ATOM 0 HB1 ALA A 84 3.944 -16.088 -31.132 1.00 33.21 H new ATOM 0 HB2 ALA A 84 2.849 -16.559 -32.454 1.00 33.21 H new ATOM 0 HB3 ALA A 84 3.625 -14.957 -32.469 1.00 33.21 H new ATOM 1305 N SER A 85 2.378 -12.800 -30.596 1.00 62.11 N ATOM 1306 CA SER A 85 2.797 -11.649 -29.805 1.00 11.00 C ATOM 1307 C SER A 85 1.900 -11.474 -28.583 1.00 60.32 C ATOM 1308 O SER A 85 2.375 -11.165 -27.490 1.00 22.02 O ATOM 1309 CB SER A 85 2.768 -10.379 -30.658 1.00 65.53 C ATOM 1310 OG SER A 85 3.978 -10.222 -31.379 1.00 63.43 O ATOM 0 H SER A 85 2.006 -12.566 -31.517 1.00 62.11 H new ATOM 0 HA SER A 85 3.817 -11.826 -29.464 1.00 11.00 H new ATOM 0 HB2 SER A 85 1.930 -10.423 -31.353 1.00 65.53 H new ATOM 0 HB3 SER A 85 2.607 -9.511 -30.019 1.00 65.53 H new ATOM 0 HG SER A 85 3.934 -9.404 -31.918 1.00 63.43 H new ATOM 1316 N CYS A 86 0.601 -11.674 -28.777 1.00 63.53 N ATOM 1317 CA CYS A 86 -0.364 -11.539 -27.692 1.00 42.41 C ATOM 1318 C CYS A 86 -0.208 -12.670 -26.681 1.00 50.11 C ATOM 1319 O CYS A 86 -0.251 -12.445 -25.472 1.00 31.31 O ATOM 1320 CB CYS A 86 -1.789 -11.527 -28.247 1.00 63.35 C ATOM 1321 SG CYS A 86 -2.104 -10.209 -29.444 1.00 13.32 S ATOM 0 H CYS A 86 0.192 -11.930 -29.676 1.00 63.53 H new ATOM 0 HA CYS A 86 -0.172 -10.594 -27.184 1.00 42.41 H new ATOM 0 HB2 CYS A 86 -1.992 -12.488 -28.719 1.00 63.35 H new ATOM 0 HB3 CYS A 86 -2.489 -11.425 -27.418 1.00 63.35 H new ATOM 0 HG CYS A 86 -2.699 -10.704 -30.488 1.00 13.32 H new ATOM 1327 N ALA A 87 -0.029 -13.886 -27.185 1.00 65.42 N ATOM 1328 CA ALA A 87 0.134 -15.053 -26.326 1.00 51.13 C ATOM 1329 C ALA A 87 1.401 -14.943 -25.485 1.00 13.24 C ATOM 1330 O ALA A 87 1.403 -15.282 -24.301 1.00 42.12 O ATOM 1331 CB ALA A 87 0.162 -16.324 -27.162 1.00 41.12 C ATOM 0 H ALA A 87 0.007 -14.089 -28.184 1.00 65.42 H new ATOM 0 HA ALA A 87 -0.718 -15.096 -25.648 1.00 51.13 H new ATOM 0 HB1 ALA A 87 0.284 -17.187 -26.508 1.00 41.12 H new ATOM 0 HB2 ALA A 87 -0.773 -16.417 -27.714 1.00 41.12 H new ATOM 0 HB3 ALA A 87 0.995 -16.280 -27.864 1.00 41.12 H new ATOM 1337 N VAL A 88 2.477 -14.467 -26.103 1.00 20.11 N ATOM 1338 CA VAL A 88 3.751 -14.312 -25.410 1.00 74.12 C ATOM 1339 C VAL A 88 3.688 -13.178 -24.393 1.00 23.42 C ATOM 1340 O VAL A 88 4.230 -13.287 -23.293 1.00 71.22 O ATOM 1341 CB VAL A 88 4.898 -14.036 -26.400 1.00 70.40 C ATOM 1342 CG1 VAL A 88 6.183 -13.716 -25.652 1.00 63.52 C ATOM 1343 CG2 VAL A 88 5.094 -15.223 -27.331 1.00 65.21 C ATOM 0 H VAL A 88 2.492 -14.182 -27.082 1.00 20.11 H new ATOM 0 HA VAL A 88 3.946 -15.251 -24.892 1.00 74.12 H new ATOM 0 HB VAL A 88 4.633 -13.169 -27.005 1.00 70.40 H new ATOM 0 HG11 VAL A 88 6.982 -13.524 -26.368 1.00 63.52 H new ATOM 0 HG12 VAL A 88 6.032 -12.833 -25.031 1.00 63.52 H new ATOM 0 HG13 VAL A 88 6.457 -14.561 -25.021 1.00 63.52 H new ATOM 0 HG21 VAL A 88 5.908 -15.011 -28.024 1.00 65.21 H new ATOM 0 HG22 VAL A 88 5.338 -16.109 -26.745 1.00 65.21 H new ATOM 0 HG23 VAL A 88 4.177 -15.400 -27.892 1.00 65.21 H new ATOM 1353 N ALA A 89 3.024 -12.090 -24.768 1.00 35.35 N ATOM 1354 CA ALA A 89 2.888 -10.937 -23.887 1.00 11.22 C ATOM 1355 C ALA A 89 2.114 -11.298 -22.624 1.00 34.52 C ATOM 1356 O ALA A 89 2.509 -10.933 -21.516 1.00 62.43 O ATOM 1357 CB ALA A 89 2.203 -9.792 -24.618 1.00 41.13 C ATOM 0 H ALA A 89 2.572 -11.983 -25.676 1.00 35.35 H new ATOM 0 HA ALA A 89 3.887 -10.619 -23.590 1.00 11.22 H new ATOM 0 HB1 ALA A 89 2.108 -8.938 -23.948 1.00 41.13 H new ATOM 0 HB2 ALA A 89 2.797 -9.508 -25.487 1.00 41.13 H new ATOM 0 HB3 ALA A 89 1.212 -10.109 -24.944 1.00 41.13 H new ATOM 1363 N ILE A 90 1.009 -12.017 -22.798 1.00 3.43 N ATOM 1364 CA ILE A 90 0.180 -12.427 -21.671 1.00 65.32 C ATOM 1365 C ILE A 90 0.900 -13.456 -20.805 1.00 42.43 C ATOM 1366 O ILE A 90 0.944 -13.329 -19.582 1.00 75.31 O ATOM 1367 CB ILE A 90 -1.160 -13.020 -22.145 1.00 41.30 C ATOM 1368 CG1 ILE A 90 -1.946 -11.981 -22.948 1.00 62.43 C ATOM 1369 CG2 ILE A 90 -1.975 -13.505 -20.955 1.00 43.42 C ATOM 1370 CD1 ILE A 90 -3.100 -12.569 -23.729 1.00 73.23 C ATOM 0 H ILE A 90 0.668 -12.327 -23.708 1.00 3.43 H new ATOM 0 HA ILE A 90 -0.016 -11.532 -21.081 1.00 65.32 H new ATOM 0 HB ILE A 90 -0.955 -13.873 -22.792 1.00 41.30 H new ATOM 0 HG12 ILE A 90 -2.328 -11.221 -22.267 1.00 62.43 H new ATOM 0 HG13 ILE A 90 -1.269 -11.479 -23.639 1.00 62.43 H new ATOM 0 HG21 ILE A 90 -2.919 -13.921 -21.306 1.00 43.42 H new ATOM 0 HG22 ILE A 90 -1.416 -14.273 -20.420 1.00 43.42 H new ATOM 0 HG23 ILE A 90 -2.174 -12.668 -20.285 1.00 43.42 H new ATOM 0 HD11 ILE A 90 -3.612 -11.776 -24.274 1.00 73.23 H new ATOM 0 HD12 ILE A 90 -2.722 -13.309 -24.435 1.00 73.23 H new ATOM 0 HD13 ILE A 90 -3.799 -13.047 -23.042 1.00 73.23 H new ATOM 1382 N GLU A 91 1.465 -14.472 -21.449 1.00 62.13 N ATOM 1383 CA GLU A 91 2.184 -15.522 -20.737 1.00 3.20 C ATOM 1384 C GLU A 91 3.324 -14.935 -19.909 1.00 13.13 C ATOM 1385 O GLU A 91 3.607 -15.402 -18.806 1.00 13.20 O ATOM 1386 CB GLU A 91 2.735 -16.553 -21.724 1.00 23.22 C ATOM 1387 CG GLU A 91 1.732 -17.630 -22.102 1.00 42.02 C ATOM 1388 CD GLU A 91 2.373 -18.794 -22.832 1.00 64.03 C ATOM 1389 OE1 GLU A 91 1.936 -19.099 -23.962 1.00 11.42 O ATOM 1390 OE2 GLU A 91 3.312 -19.400 -22.275 1.00 31.31 O ATOM 0 H GLU A 91 1.439 -14.590 -22.462 1.00 62.13 H new ATOM 0 HA GLU A 91 1.483 -16.014 -20.062 1.00 3.20 H new ATOM 0 HB2 GLU A 91 3.062 -16.039 -22.628 1.00 23.22 H new ATOM 0 HB3 GLU A 91 3.616 -17.025 -21.289 1.00 23.22 H new ATOM 0 HG2 GLU A 91 1.242 -17.997 -21.200 1.00 42.02 H new ATOM 0 HG3 GLU A 91 0.956 -17.194 -22.732 1.00 42.02 H new ATOM 1397 N GLU A 92 3.973 -13.909 -20.450 1.00 24.13 N ATOM 1398 CA GLU A 92 5.083 -13.260 -19.761 1.00 53.43 C ATOM 1399 C GLU A 92 4.581 -12.434 -18.580 1.00 43.52 C ATOM 1400 O GLU A 92 5.144 -12.489 -17.487 1.00 74.21 O ATOM 1401 CB GLU A 92 5.860 -12.365 -20.730 1.00 33.42 C ATOM 1402 CG GLU A 92 7.170 -11.846 -20.161 1.00 74.32 C ATOM 1403 CD GLU A 92 8.330 -12.013 -21.123 1.00 51.23 C ATOM 1404 OE1 GLU A 92 8.088 -12.019 -22.348 1.00 54.25 O ATOM 1405 OE2 GLU A 92 9.479 -12.137 -20.652 1.00 23.34 O ATOM 0 H GLU A 92 3.750 -13.510 -21.362 1.00 24.13 H new ATOM 0 HA GLU A 92 5.747 -14.037 -19.383 1.00 53.43 H new ATOM 0 HB2 GLU A 92 6.066 -12.925 -21.642 1.00 33.42 H new ATOM 0 HB3 GLU A 92 5.234 -11.518 -21.010 1.00 33.42 H new ATOM 0 HG2 GLU A 92 7.060 -10.791 -19.910 1.00 74.32 H new ATOM 0 HG3 GLU A 92 7.393 -12.373 -19.233 1.00 74.32 H new ATOM 1412 N ALA A 93 3.520 -11.667 -18.810 1.00 31.32 N ATOM 1413 CA ALA A 93 2.941 -10.831 -17.766 1.00 4.14 C ATOM 1414 C ALA A 93 2.546 -11.664 -16.551 1.00 4.21 C ATOM 1415 O ALA A 93 2.809 -11.279 -15.411 1.00 62.10 O ATOM 1416 CB ALA A 93 1.736 -10.074 -18.303 1.00 42.43 C ATOM 0 H ALA A 93 3.044 -11.608 -19.710 1.00 31.32 H new ATOM 0 HA ALA A 93 3.697 -10.112 -17.451 1.00 4.14 H new ATOM 0 HB1 ALA A 93 1.314 -9.454 -17.512 1.00 42.43 H new ATOM 0 HB2 ALA A 93 2.045 -9.441 -19.135 1.00 42.43 H new ATOM 0 HB3 ALA A 93 0.984 -10.784 -18.647 1.00 42.43 H new ATOM 1422 N ILE A 94 1.914 -12.805 -16.802 1.00 51.11 N ATOM 1423 CA ILE A 94 1.483 -13.692 -15.728 1.00 44.43 C ATOM 1424 C ILE A 94 2.667 -14.443 -15.128 1.00 52.10 C ATOM 1425 O ILE A 94 2.692 -14.725 -13.930 1.00 50.43 O ATOM 1426 CB ILE A 94 0.441 -14.711 -16.224 1.00 14.12 C ATOM 1427 CG1 ILE A 94 1.051 -15.619 -17.293 1.00 23.42 C ATOM 1428 CG2 ILE A 94 -0.785 -13.993 -16.769 1.00 0.45 C ATOM 1429 CD1 ILE A 94 0.071 -16.616 -17.870 1.00 62.34 C ATOM 0 H ILE A 94 1.689 -13.137 -17.740 1.00 51.11 H new ATOM 0 HA ILE A 94 1.028 -13.064 -14.962 1.00 44.43 H new ATOM 0 HB ILE A 94 0.132 -15.330 -15.382 1.00 14.12 H new ATOM 0 HG12 ILE A 94 1.446 -15.002 -18.100 1.00 23.42 H new ATOM 0 HG13 ILE A 94 1.894 -16.159 -16.862 1.00 23.42 H new ATOM 0 HG21 ILE A 94 -1.512 -14.727 -17.116 1.00 0.45 H new ATOM 0 HG22 ILE A 94 -1.230 -13.385 -15.982 1.00 0.45 H new ATOM 0 HG23 ILE A 94 -0.492 -13.352 -17.601 1.00 0.45 H new ATOM 0 HD11 ILE A 94 0.572 -17.226 -18.621 1.00 62.34 H new ATOM 0 HD12 ILE A 94 -0.306 -17.258 -17.074 1.00 62.34 H new ATOM 0 HD13 ILE A 94 -0.761 -16.083 -18.331 1.00 62.34 H new ATOM 1441 N GLN A 95 3.646 -14.762 -15.968 1.00 73.44 N ATOM 1442 CA GLN A 95 4.833 -15.480 -15.520 1.00 20.12 C ATOM 1443 C GLN A 95 5.649 -14.631 -14.551 1.00 13.14 C ATOM 1444 O GLN A 95 6.313 -15.156 -13.656 1.00 11.00 O ATOM 1445 CB GLN A 95 5.696 -15.879 -16.718 1.00 24.32 C ATOM 1446 CG GLN A 95 6.928 -16.685 -16.338 1.00 45.23 C ATOM 1447 CD GLN A 95 7.368 -17.632 -17.437 1.00 51.14 C ATOM 1448 OE1 GLN A 95 6.986 -17.475 -18.597 1.00 71.04 O ATOM 1449 NE2 GLN A 95 8.176 -18.623 -17.078 1.00 13.53 N ATOM 0 H GLN A 95 3.641 -14.535 -16.962 1.00 73.44 H new ATOM 0 HA GLN A 95 4.507 -16.381 -15.000 1.00 20.12 H new ATOM 0 HB2 GLN A 95 5.091 -16.461 -17.413 1.00 24.32 H new ATOM 0 HB3 GLN A 95 6.010 -14.978 -17.246 1.00 24.32 H new ATOM 0 HG2 GLN A 95 7.745 -16.003 -16.103 1.00 45.23 H new ATOM 0 HG3 GLN A 95 6.719 -17.256 -15.434 1.00 45.23 H new ATOM 0 HE21 GLN A 95 8.468 -18.716 -16.105 1.00 13.53 H new ATOM 0 HE22 GLN A 95 8.505 -19.291 -17.775 1.00 13.53 H new ATOM 1458 N LEU A 96 5.595 -13.316 -14.734 1.00 72.32 N ATOM 1459 CA LEU A 96 6.329 -12.393 -13.876 1.00 22.21 C ATOM 1460 C LEU A 96 5.511 -12.031 -12.640 1.00 44.45 C ATOM 1461 O LEU A 96 6.035 -11.991 -11.527 1.00 34.44 O ATOM 1462 CB LEU A 96 6.693 -11.125 -14.651 1.00 23.54 C ATOM 1463 CG LEU A 96 7.767 -11.282 -15.728 1.00 72.42 C ATOM 1464 CD1 LEU A 96 7.604 -10.218 -16.802 1.00 64.14 C ATOM 1465 CD2 LEU A 96 9.156 -11.212 -15.111 1.00 60.42 C ATOM 0 H LEU A 96 5.050 -12.865 -15.469 1.00 72.32 H new ATOM 0 HA LEU A 96 7.244 -12.888 -13.551 1.00 22.21 H new ATOM 0 HB2 LEU A 96 5.789 -10.739 -15.121 1.00 23.54 H new ATOM 0 HB3 LEU A 96 7.029 -10.371 -13.939 1.00 23.54 H new ATOM 0 HG LEU A 96 7.648 -12.260 -16.193 1.00 72.42 H new ATOM 0 HD11 LEU A 96 8.377 -10.345 -17.560 1.00 64.14 H new ATOM 0 HD12 LEU A 96 6.622 -10.316 -17.265 1.00 64.14 H new ATOM 0 HD13 LEU A 96 7.696 -9.230 -16.352 1.00 64.14 H new ATOM 0 HD21 LEU A 96 9.907 -11.326 -15.892 1.00 60.42 H new ATOM 0 HD22 LEU A 96 9.287 -10.248 -14.619 1.00 60.42 H new ATOM 0 HD23 LEU A 96 9.270 -12.012 -14.379 1.00 60.42 H new ATOM 1477 N TYR A 97 4.225 -11.769 -12.845 1.00 3.50 N ATOM 1478 CA TYR A 97 3.335 -11.409 -11.748 1.00 33.11 C ATOM 1479 C TYR A 97 3.283 -12.519 -10.702 1.00 5.41 C ATOM 1480 O TYR A 97 3.326 -12.256 -9.501 1.00 11.34 O ATOM 1481 CB TYR A 97 1.928 -11.127 -12.277 1.00 53.51 C ATOM 1482 CG TYR A 97 0.971 -10.630 -11.217 1.00 55.12 C ATOM 1483 CD1 TYR A 97 1.152 -9.391 -10.616 1.00 12.54 C ATOM 1484 CD2 TYR A 97 -0.114 -11.400 -10.817 1.00 12.03 C ATOM 1485 CE1 TYR A 97 0.280 -8.933 -9.646 1.00 43.23 C ATOM 1486 CE2 TYR A 97 -0.992 -10.950 -9.849 1.00 44.33 C ATOM 1487 CZ TYR A 97 -0.790 -9.716 -9.267 1.00 0.31 C ATOM 1488 OH TYR A 97 -1.661 -9.264 -8.302 1.00 21.21 O ATOM 0 H TYR A 97 3.776 -11.799 -13.760 1.00 3.50 H new ATOM 0 HA TYR A 97 3.727 -10.508 -11.277 1.00 33.11 H new ATOM 0 HB2 TYR A 97 1.990 -10.386 -13.074 1.00 53.51 H new ATOM 0 HB3 TYR A 97 1.526 -12.038 -12.719 1.00 53.51 H new ATOM 0 HD1 TYR A 97 1.988 -8.775 -10.912 1.00 12.54 H new ATOM 0 HD2 TYR A 97 -0.274 -12.367 -11.270 1.00 12.03 H new ATOM 0 HE1 TYR A 97 0.436 -7.968 -9.188 1.00 43.23 H new ATOM 0 HE2 TYR A 97 -1.831 -11.561 -9.550 1.00 44.33 H new ATOM 0 HH TYR A 97 -2.360 -9.935 -8.152 1.00 21.21 H new ATOM 1498 N GLU A 98 3.193 -13.760 -11.169 1.00 54.23 N ATOM 1499 CA GLU A 98 3.135 -14.910 -10.275 1.00 4.13 C ATOM 1500 C GLU A 98 4.514 -15.220 -9.698 1.00 50.13 C ATOM 1501 O GLU A 98 4.633 -15.908 -8.685 1.00 64.14 O ATOM 1502 CB GLU A 98 2.593 -16.134 -11.016 1.00 3.04 C ATOM 1503 CG GLU A 98 1.083 -16.279 -10.928 1.00 43.13 C ATOM 1504 CD GLU A 98 0.610 -17.677 -11.276 1.00 23.11 C ATOM 1505 OE1 GLU A 98 -0.586 -17.835 -11.599 1.00 44.24 O ATOM 1506 OE2 GLU A 98 1.435 -18.613 -11.224 1.00 62.01 O ATOM 0 H GLU A 98 3.159 -13.995 -12.161 1.00 54.23 H new ATOM 0 HA GLU A 98 2.462 -14.665 -9.453 1.00 4.13 H new ATOM 0 HB2 GLU A 98 2.883 -16.071 -12.065 1.00 3.04 H new ATOM 0 HB3 GLU A 98 3.060 -17.031 -10.609 1.00 3.04 H new ATOM 0 HG2 GLU A 98 0.756 -16.030 -9.919 1.00 43.13 H new ATOM 0 HG3 GLU A 98 0.613 -15.562 -11.601 1.00 43.13 H new ATOM 1513 N GLU A 99 5.551 -14.707 -10.352 1.00 45.04 N ATOM 1514 CA GLU A 99 6.921 -14.930 -9.906 1.00 24.43 C ATOM 1515 C GLU A 99 7.309 -13.932 -8.818 1.00 73.42 C ATOM 1516 O GLU A 99 8.140 -14.227 -7.960 1.00 44.52 O ATOM 1517 CB GLU A 99 7.890 -14.818 -11.085 1.00 25.24 C ATOM 1518 CG GLU A 99 9.353 -14.852 -10.675 1.00 64.33 C ATOM 1519 CD GLU A 99 10.271 -15.231 -11.821 1.00 61.54 C ATOM 1520 OE1 GLU A 99 11.483 -15.407 -11.577 1.00 3.42 O ATOM 1521 OE2 GLU A 99 9.778 -15.353 -12.962 1.00 52.20 O ATOM 0 H GLU A 99 5.469 -14.134 -11.192 1.00 45.04 H new ATOM 0 HA GLU A 99 6.981 -15.936 -9.490 1.00 24.43 H new ATOM 0 HB2 GLU A 99 7.697 -15.634 -11.782 1.00 25.24 H new ATOM 0 HB3 GLU A 99 7.693 -13.889 -11.620 1.00 25.24 H new ATOM 0 HG2 GLU A 99 9.642 -13.873 -10.291 1.00 64.33 H new ATOM 0 HG3 GLU A 99 9.482 -15.565 -9.860 1.00 64.33 H new ATOM 1528 N GLN A 100 6.699 -12.752 -8.862 1.00 45.04 N ATOM 1529 CA GLN A 100 6.981 -11.710 -7.882 1.00 24.21 C ATOM 1530 C GLN A 100 5.927 -11.700 -6.780 1.00 51.01 C ATOM 1531 O GLN A 100 6.213 -11.347 -5.635 1.00 43.33 O ATOM 1532 CB GLN A 100 7.038 -10.342 -8.563 1.00 1.44 C ATOM 1533 CG GLN A 100 8.410 -9.994 -9.117 1.00 61.44 C ATOM 1534 CD GLN A 100 8.933 -8.670 -8.596 1.00 34.31 C ATOM 1535 OE1 GLN A 100 9.348 -8.565 -7.441 1.00 52.15 O ATOM 1536 NE2 GLN A 100 8.915 -7.650 -9.446 1.00 60.41 N ATOM 0 H GLN A 100 6.007 -12.494 -9.565 1.00 45.04 H new ATOM 0 HA GLN A 100 7.950 -11.923 -7.430 1.00 24.21 H new ATOM 0 HB2 GLN A 100 6.311 -10.319 -9.375 1.00 1.44 H new ATOM 0 HB3 GLN A 100 6.740 -9.576 -7.847 1.00 1.44 H new ATOM 0 HG2 GLN A 100 9.113 -10.785 -8.857 1.00 61.44 H new ATOM 0 HG3 GLN A 100 8.359 -9.957 -10.205 1.00 61.44 H new ATOM 0 HE21 GLN A 100 8.562 -7.782 -10.394 1.00 60.41 H new ATOM 0 HE22 GLN A 100 9.254 -6.734 -9.151 1.00 60.41 H new ATOM 1545 N LEU A 101 4.707 -12.089 -7.132 1.00 54.15 N ATOM 1546 CA LEU A 101 3.608 -12.124 -6.173 1.00 70.43 C ATOM 1547 C LEU A 101 4.001 -12.907 -4.924 1.00 74.14 C ATOM 1548 O LEU A 101 3.791 -12.450 -3.800 1.00 64.14 O ATOM 1549 CB LEU A 101 2.367 -12.750 -6.812 1.00 61.32 C ATOM 1550 CG LEU A 101 1.180 -12.991 -5.878 1.00 43.14 C ATOM 1551 CD1 LEU A 101 0.603 -11.669 -5.398 1.00 12.33 C ATOM 1552 CD2 LEU A 101 0.112 -13.819 -6.577 1.00 33.33 C ATOM 0 H LEU A 101 4.453 -12.385 -8.075 1.00 54.15 H new ATOM 0 HA LEU A 101 3.380 -11.099 -5.881 1.00 70.43 H new ATOM 0 HB2 LEU A 101 2.038 -12.105 -7.626 1.00 61.32 H new ATOM 0 HB3 LEU A 101 2.653 -13.703 -7.256 1.00 61.32 H new ATOM 0 HG LEU A 101 1.532 -13.547 -5.009 1.00 43.14 H new ATOM 0 HD11 LEU A 101 -0.241 -11.860 -4.735 1.00 12.33 H new ATOM 0 HD12 LEU A 101 1.369 -11.112 -4.859 1.00 12.33 H new ATOM 0 HD13 LEU A 101 0.266 -11.086 -6.255 1.00 12.33 H new ATOM 0 HD21 LEU A 101 -0.725 -13.981 -5.898 1.00 33.33 H new ATOM 0 HD22 LEU A 101 -0.237 -13.289 -7.463 1.00 33.33 H new ATOM 0 HD23 LEU A 101 0.532 -14.781 -6.871 1.00 33.33 H new ATOM 1564 N LYS A 102 4.573 -14.089 -5.129 1.00 1.44 N ATOM 1565 CA LYS A 102 4.999 -14.935 -4.020 1.00 42.32 C ATOM 1566 C LYS A 102 6.197 -14.325 -3.299 1.00 52.50 C ATOM 1567 O LYS A 102 6.370 -14.513 -2.095 1.00 64.14 O ATOM 1568 CB LYS A 102 5.355 -16.334 -4.527 1.00 74.23 C ATOM 1569 CG LYS A 102 4.159 -17.115 -5.046 1.00 45.34 C ATOM 1570 CD LYS A 102 4.593 -18.343 -5.828 1.00 71.44 C ATOM 1571 CE LYS A 102 3.436 -18.939 -6.617 1.00 5.21 C ATOM 1572 NZ LYS A 102 2.653 -19.910 -5.804 1.00 62.34 N ATOM 0 H LYS A 102 4.752 -14.483 -6.053 1.00 1.44 H new ATOM 0 HA LYS A 102 4.172 -15.010 -3.314 1.00 42.32 H new ATOM 0 HB2 LYS A 102 6.094 -16.246 -5.323 1.00 74.23 H new ATOM 0 HB3 LYS A 102 5.823 -16.896 -3.719 1.00 74.23 H new ATOM 0 HG2 LYS A 102 3.530 -17.419 -4.209 1.00 45.34 H new ATOM 0 HG3 LYS A 102 3.552 -16.472 -5.683 1.00 45.34 H new ATOM 0 HD2 LYS A 102 5.400 -18.075 -6.510 1.00 71.44 H new ATOM 0 HD3 LYS A 102 4.991 -19.091 -5.142 1.00 71.44 H new ATOM 0 HE2 LYS A 102 2.779 -18.139 -6.959 1.00 5.21 H new ATOM 0 HE3 LYS A 102 3.821 -19.437 -7.506 1.00 5.21 H new ATOM 0 HZ1 LYS A 102 1.874 -20.294 -6.377 1.00 62.34 H new ATOM 0 HZ2 LYS A 102 3.273 -20.687 -5.498 1.00 62.34 H new ATOM 0 HZ3 LYS A 102 2.264 -19.429 -4.968 1.00 62.34 H new ATOM 1586 N ALA A 103 7.019 -13.592 -4.043 1.00 0.44 N ATOM 1587 CA ALA A 103 8.198 -12.951 -3.473 1.00 11.11 C ATOM 1588 C ALA A 103 7.806 -11.906 -2.433 1.00 65.24 C ATOM 1589 O ALA A 103 8.508 -11.712 -1.441 1.00 63.32 O ATOM 1590 CB ALA A 103 9.037 -12.316 -4.572 1.00 73.12 C ATOM 0 H ALA A 103 6.890 -13.427 -5.041 1.00 0.44 H new ATOM 0 HA ALA A 103 8.792 -13.717 -2.974 1.00 11.11 H new ATOM 0 HB1 ALA A 103 9.914 -11.841 -4.132 1.00 73.12 H new ATOM 0 HB2 ALA A 103 9.356 -13.084 -5.276 1.00 73.12 H new ATOM 0 HB3 ALA A 103 8.443 -11.567 -5.096 1.00 73.12 H new ATOM 1596 N GLN A 104 6.683 -11.236 -2.668 1.00 60.15 N ATOM 1597 CA GLN A 104 6.200 -10.210 -1.752 1.00 42.10 C ATOM 1598 C GLN A 104 5.043 -10.734 -0.908 1.00 60.33 C ATOM 1599 O GLN A 104 4.261 -9.959 -0.359 1.00 50.24 O ATOM 1600 CB GLN A 104 5.759 -8.969 -2.530 1.00 15.25 C ATOM 1601 CG GLN A 104 4.516 -9.192 -3.377 1.00 44.10 C ATOM 1602 CD GLN A 104 3.324 -8.394 -2.887 1.00 45.40 C ATOM 1603 OE1 GLN A 104 2.333 -8.958 -2.423 1.00 40.24 O ATOM 1604 NE2 GLN A 104 3.415 -7.073 -2.987 1.00 51.40 N ATOM 0 H GLN A 104 6.091 -11.385 -3.485 1.00 60.15 H new ATOM 0 HA GLN A 104 7.018 -9.940 -1.085 1.00 42.10 H new ATOM 0 HB2 GLN A 104 5.569 -8.158 -1.827 1.00 15.25 H new ATOM 0 HB3 GLN A 104 6.576 -8.646 -3.176 1.00 15.25 H new ATOM 0 HG2 GLN A 104 4.731 -8.919 -4.410 1.00 44.10 H new ATOM 0 HG3 GLN A 104 4.264 -10.253 -3.374 1.00 44.10 H new ATOM 0 HE21 GLN A 104 4.256 -6.648 -3.378 1.00 51.40 H new ATOM 0 HE22 GLN A 104 2.644 -6.483 -2.673 1.00 51.40 H new ATOM 1613 N ALA A 105 4.940 -12.056 -0.810 1.00 3.32 N ATOM 1614 CA ALA A 105 3.880 -12.684 -0.032 1.00 13.43 C ATOM 1615 C ALA A 105 4.453 -13.474 1.140 1.00 54.02 C ATOM 1616 O ALA A 105 3.825 -14.408 1.637 1.00 64.43 O ATOM 1617 CB ALA A 105 3.038 -13.588 -0.920 1.00 22.01 C ATOM 0 H ALA A 105 5.578 -12.712 -1.260 1.00 3.32 H new ATOM 0 HA ALA A 105 3.244 -11.896 0.372 1.00 13.43 H new ATOM 0 HB1 ALA A 105 2.250 -14.050 -0.325 1.00 22.01 H new ATOM 0 HB2 ALA A 105 2.590 -12.998 -1.720 1.00 22.01 H new ATOM 0 HB3 ALA A 105 3.670 -14.364 -1.352 1.00 22.01 H new ATOM 1623 N GLY A 106 5.649 -13.093 1.576 1.00 3.34 N ATOM 1624 CA GLY A 106 6.287 -13.777 2.686 1.00 71.42 C ATOM 1625 C GLY A 106 7.506 -14.568 2.255 1.00 24.14 C ATOM 1626 O GLY A 106 8.416 -14.800 3.050 1.00 64.41 O ATOM 0 H GLY A 106 6.188 -12.323 1.181 1.00 3.34 H new ATOM 0 HA2 GLY A 106 6.580 -13.046 3.440 1.00 71.42 H new ATOM 0 HA3 GLY A 106 5.569 -14.449 3.156 1.00 71.42 H new ATOM 1630 N GLY A 107 7.525 -14.985 0.993 1.00 53.43 N ATOM 1631 CA GLY A 107 8.645 -15.751 0.481 1.00 65.14 C ATOM 1632 C GLY A 107 8.316 -17.221 0.316 1.00 34.42 C ATOM 1633 O GLY A 107 8.889 -18.074 0.994 1.00 23.53 O ATOM 0 H GLY A 107 6.784 -14.806 0.316 1.00 53.43 H new ATOM 0 HA2 GLY A 107 8.952 -15.341 -0.481 1.00 65.14 H new ATOM 0 HA3 GLY A 107 9.493 -15.646 1.158 1.00 65.14 H new ATOM 1637 N THR A 108 7.386 -17.521 -0.586 1.00 43.43 N ATOM 1638 CA THR A 108 6.978 -18.897 -0.836 1.00 24.42 C ATOM 1639 C THR A 108 6.271 -19.490 0.378 1.00 43.22 C ATOM 1640 O THR A 108 6.748 -20.453 0.977 1.00 50.33 O ATOM 1641 CB THR A 108 8.185 -19.784 -1.196 1.00 62.31 C ATOM 1642 OG1 THR A 108 9.148 -19.025 -1.935 1.00 50.34 O ATOM 1643 CG2 THR A 108 7.746 -20.989 -2.014 1.00 71.32 C ATOM 0 H THR A 108 6.901 -16.828 -1.156 1.00 43.43 H new ATOM 0 HA THR A 108 6.288 -18.874 -1.680 1.00 24.42 H new ATOM 0 HB THR A 108 8.636 -20.138 -0.269 1.00 62.31 H new ATOM 0 HG1 THR A 108 9.913 -19.596 -2.158 1.00 50.34 H new ATOM 0 HG21 THR A 108 8.615 -21.600 -2.256 1.00 71.32 H new ATOM 0 HG22 THR A 108 7.035 -21.581 -1.437 1.00 71.32 H new ATOM 0 HG23 THR A 108 7.272 -20.650 -2.935 1.00 71.32 H new ATOM 1651 N ASN A 109 5.131 -18.908 0.735 1.00 52.02 N ATOM 1652 CA ASN A 109 4.357 -19.379 1.878 1.00 65.31 C ATOM 1653 C ASN A 109 5.194 -19.343 3.153 1.00 24.30 C ATOM 1654 O ASN A 109 5.088 -20.228 4.001 1.00 25.33 O ATOM 1655 CB ASN A 109 3.852 -20.801 1.627 1.00 73.25 C ATOM 1656 CG ASN A 109 2.894 -20.875 0.453 1.00 61.31 C ATOM 1657 OD1 ASN A 109 3.209 -20.425 -0.649 1.00 11.23 O ATOM 1658 ND2 ASN A 109 1.717 -21.445 0.685 1.00 64.54 N ATOM 0 H ASN A 109 4.723 -18.109 0.249 1.00 52.02 H new ATOM 0 HA ASN A 109 3.503 -18.714 2.006 1.00 65.31 H new ATOM 0 HB2 ASN A 109 4.702 -21.458 1.441 1.00 73.25 H new ATOM 0 HB3 ASN A 109 3.353 -21.170 2.523 1.00 73.25 H new ATOM 0 HD21 ASN A 109 1.031 -21.524 -0.066 1.00 64.54 H new ATOM 0 HD22 ASN A 109 1.499 -21.804 1.614 1.00 64.54 H new ATOM 1665 N GLU A 110 6.025 -18.313 3.280 1.00 23.32 N ATOM 1666 CA GLU A 110 6.880 -18.163 4.452 1.00 43.42 C ATOM 1667 C GLU A 110 7.699 -19.427 4.694 1.00 31.43 C ATOM 1668 O GLU A 110 7.280 -20.317 5.435 1.00 43.34 O ATOM 1669 CB GLU A 110 6.037 -17.843 5.688 1.00 3.30 C ATOM 1670 CG GLU A 110 6.142 -16.395 6.138 1.00 74.11 C ATOM 1671 CD GLU A 110 4.834 -15.860 6.688 1.00 1.45 C ATOM 1672 OE1 GLU A 110 4.233 -14.980 6.037 1.00 12.11 O ATOM 1673 OE2 GLU A 110 4.412 -16.320 7.770 1.00 5.40 O ATOM 0 H GLU A 110 6.124 -17.571 2.587 1.00 23.32 H new ATOM 0 HA GLU A 110 7.566 -17.337 4.266 1.00 43.42 H new ATOM 0 HB2 GLU A 110 4.993 -18.074 5.475 1.00 3.30 H new ATOM 0 HB3 GLU A 110 6.347 -18.493 6.507 1.00 3.30 H new ATOM 0 HG2 GLU A 110 6.915 -16.311 6.902 1.00 74.11 H new ATOM 0 HG3 GLU A 110 6.457 -15.779 5.296 1.00 74.11 H new TER 1680 GLU A 110