USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=16 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 93:sc= 1.09 USER MOD Single : A 9 THR OG1 : rot 79:sc= 0.716 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl -145:sc= -0.189 (180deg=-1.63!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 45:sc= 0.316 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 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= -0.93 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.51 K(o=-1.5,f=-3.9!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.451 X(o=-0.45,f=-0.21) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) 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= -0.0441 USER MOD Single : A 95 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.19) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc=-0.00804 X(o=-0.008,f=-0.17) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc=-0.00997 K(o=-0.01,f=-0.52) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0599 USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.380 0.751 0.237 1.00 4.11 N ATOM 2 CA MET A 1 2.286 0.540 -0.886 1.00 60.23 C ATOM 3 C MET A 1 1.566 -0.145 -2.044 1.00 10.23 C ATOM 4 O MET A 1 1.988 -1.203 -2.510 1.00 63.24 O ATOM 5 CB MET A 1 3.488 -0.300 -0.449 1.00 75.53 C ATOM 6 CG MET A 1 4.704 -0.133 -1.345 1.00 4.43 C ATOM 7 SD MET A 1 5.880 1.072 -0.700 1.00 5.24 S ATOM 8 CE MET A 1 7.318 0.036 -0.439 1.00 42.14 C ATOM 0 H1 MET A 1 1.892 1.218 1.013 1.00 4.11 H new ATOM 0 H2 MET A 1 0.586 1.351 -0.065 1.00 4.11 H new ATOM 0 H3 MET A 1 1.015 -0.166 0.566 1.00 4.11 H new ATOM 0 HA MET A 1 2.637 1.515 -1.225 1.00 60.23 H new ATOM 0 HB2 MET A 1 3.759 -0.029 0.571 1.00 75.53 H new ATOM 0 HB3 MET A 1 3.200 -1.351 -0.434 1.00 75.53 H new ATOM 0 HG2 MET A 1 5.202 -1.096 -1.459 1.00 4.43 H new ATOM 0 HG3 MET A 1 4.379 0.177 -2.338 1.00 4.43 H new ATOM 0 HE1 MET A 1 8.134 0.639 -0.041 1.00 42.14 H new ATOM 0 HE2 MET A 1 7.073 -0.755 0.269 1.00 42.14 H new ATOM 0 HE3 MET A 1 7.624 -0.407 -1.387 1.00 42.14 H new ATOM 18 N ILE A 2 0.478 0.465 -2.502 1.00 0.34 N ATOM 19 CA ILE A 2 -0.299 -0.086 -3.605 1.00 11.13 C ATOM 20 C ILE A 2 -0.633 0.989 -4.633 1.00 50.41 C ATOM 21 O ILE A 2 -1.773 1.441 -4.748 1.00 63.34 O ATOM 22 CB ILE A 2 -1.607 -0.728 -3.106 1.00 55.52 C ATOM 23 CG1 ILE A 2 -2.343 0.227 -2.163 1.00 44.45 C ATOM 24 CG2 ILE A 2 -1.318 -2.049 -2.410 1.00 43.02 C ATOM 25 CD1 ILE A 2 -3.813 0.380 -2.484 1.00 30.01 C ATOM 0 H ILE A 2 0.115 1.341 -2.126 1.00 0.34 H new ATOM 0 HA ILE A 2 0.317 -0.853 -4.073 1.00 11.13 H new ATOM 0 HB ILE A 2 -2.247 -0.925 -3.966 1.00 55.52 H new ATOM 0 HG12 ILE A 2 -2.239 -0.134 -1.140 1.00 44.45 H new ATOM 0 HG13 ILE A 2 -1.866 1.206 -2.206 1.00 44.45 H new ATOM 0 HG21 ILE A 2 -2.253 -2.490 -2.063 1.00 43.02 H new ATOM 0 HG22 ILE A 2 -0.833 -2.730 -3.109 1.00 43.02 H new ATOM 0 HG23 ILE A 2 -0.661 -1.875 -1.558 1.00 43.02 H new ATOM 0 HD11 ILE A 2 -4.270 1.071 -1.776 1.00 30.01 H new ATOM 0 HD12 ILE A 2 -3.926 0.770 -3.496 1.00 30.01 H new ATOM 0 HD13 ILE A 2 -4.304 -0.591 -2.413 1.00 30.01 H new ATOM 37 N PRO A 3 0.383 1.410 -5.401 1.00 23.22 N ATOM 38 CA PRO A 3 0.222 2.436 -6.436 1.00 20.54 C ATOM 39 C PRO A 3 -0.597 1.939 -7.622 1.00 32.52 C ATOM 40 O PRO A 3 -0.480 0.783 -8.029 1.00 21.33 O ATOM 41 CB PRO A 3 1.660 2.734 -6.867 1.00 22.25 C ATOM 42 CG PRO A 3 2.417 1.491 -6.547 1.00 1.25 C ATOM 43 CD PRO A 3 1.768 0.916 -5.318 1.00 60.22 C ATOM 0 HA PRO A 3 -0.316 3.308 -6.065 1.00 20.54 H new ATOM 0 HB2 PRO A 3 1.714 2.968 -7.930 1.00 22.25 H new ATOM 0 HB3 PRO A 3 2.064 3.593 -6.331 1.00 22.25 H new ATOM 0 HG2 PRO A 3 2.376 0.785 -7.376 1.00 1.25 H new ATOM 0 HG3 PRO A 3 3.469 1.710 -6.366 1.00 1.25 H new ATOM 0 HD2 PRO A 3 1.807 -0.173 -5.315 1.00 60.22 H new ATOM 0 HD3 PRO A 3 2.262 1.255 -4.407 1.00 60.22 H new ATOM 51 N SER A 4 -1.426 2.819 -8.173 1.00 15.11 N ATOM 52 CA SER A 4 -2.268 2.468 -9.311 1.00 0.21 C ATOM 53 C SER A 4 -3.183 1.296 -8.969 1.00 42.12 C ATOM 54 O SER A 4 -3.520 0.485 -9.832 1.00 32.13 O ATOM 55 CB SER A 4 -1.403 2.118 -10.523 1.00 42.12 C ATOM 56 OG SER A 4 -1.821 2.834 -11.672 1.00 40.51 O ATOM 0 H SER A 4 -1.533 3.781 -7.850 1.00 15.11 H new ATOM 0 HA SER A 4 -2.888 3.331 -9.553 1.00 0.21 H new ATOM 0 HB2 SER A 4 -0.359 2.348 -10.307 1.00 42.12 H new ATOM 0 HB3 SER A 4 -1.460 1.047 -10.717 1.00 42.12 H new ATOM 0 HG SER A 4 -1.308 3.666 -11.744 1.00 40.51 H new ATOM 62 N PHE A 5 -3.581 1.214 -7.704 1.00 21.20 N ATOM 63 CA PHE A 5 -4.456 0.141 -7.246 1.00 60.21 C ATOM 64 C PHE A 5 -3.943 -1.217 -7.716 1.00 23.34 C ATOM 65 O PHE A 5 -4.356 -1.722 -8.759 1.00 32.21 O ATOM 66 CB PHE A 5 -5.881 0.364 -7.756 1.00 33.02 C ATOM 67 CG PHE A 5 -6.939 -0.166 -6.830 1.00 2.31 C ATOM 68 CD1 PHE A 5 -7.067 0.336 -5.545 1.00 35.32 C ATOM 69 CD2 PHE A 5 -7.804 -1.166 -7.245 1.00 2.52 C ATOM 70 CE1 PHE A 5 -8.040 -0.149 -4.690 1.00 62.33 C ATOM 71 CE2 PHE A 5 -8.778 -1.654 -6.395 1.00 72.00 C ATOM 72 CZ PHE A 5 -8.896 -1.146 -5.116 1.00 25.21 C ATOM 0 H PHE A 5 -3.312 1.878 -6.978 1.00 21.20 H new ATOM 0 HA PHE A 5 -4.461 0.151 -6.156 1.00 60.21 H new ATOM 0 HB2 PHE A 5 -6.042 1.432 -7.905 1.00 33.02 H new ATOM 0 HB3 PHE A 5 -5.989 -0.114 -8.730 1.00 33.02 H new ATOM 0 HD1 PHE A 5 -6.399 1.115 -5.207 1.00 35.32 H new ATOM 0 HD2 PHE A 5 -7.716 -1.568 -8.243 1.00 2.52 H new ATOM 0 HE1 PHE A 5 -8.130 0.251 -3.691 1.00 62.33 H new ATOM 0 HE2 PHE A 5 -9.447 -2.433 -6.731 1.00 72.00 H new ATOM 0 HZ PHE A 5 -9.656 -1.528 -4.450 1.00 25.21 H new ATOM 82 N ALA A 6 -3.039 -1.803 -6.937 1.00 45.31 N ATOM 83 CA ALA A 6 -2.469 -3.102 -7.271 1.00 74.34 C ATOM 84 C ALA A 6 -1.666 -3.033 -8.566 1.00 21.23 C ATOM 85 O ALA A 6 -2.147 -3.386 -9.643 1.00 21.03 O ATOM 86 CB ALA A 6 -3.570 -4.147 -7.386 1.00 42.31 C ATOM 0 H ALA A 6 -2.686 -1.398 -6.070 1.00 45.31 H new ATOM 0 HA ALA A 6 -1.790 -3.391 -6.468 1.00 74.34 H new ATOM 0 HB1 ALA A 6 -3.130 -5.113 -7.636 1.00 42.31 H new ATOM 0 HB2 ALA A 6 -4.099 -4.224 -6.436 1.00 42.31 H new ATOM 0 HB3 ALA A 6 -4.270 -3.854 -8.168 1.00 42.31 H new ATOM 92 N PRO A 7 -0.412 -2.567 -8.461 1.00 35.51 N ATOM 93 CA PRO A 7 0.484 -2.441 -9.614 1.00 20.12 C ATOM 94 C PRO A 7 0.928 -3.796 -10.154 1.00 23.11 C ATOM 95 O PRO A 7 1.407 -4.647 -9.406 1.00 5.25 O ATOM 96 CB PRO A 7 1.681 -1.672 -9.050 1.00 1.24 C ATOM 97 CG PRO A 7 1.672 -1.974 -7.591 1.00 24.31 C ATOM 98 CD PRO A 7 0.226 -2.129 -7.209 1.00 3.13 C ATOM 0 HA PRO A 7 -0.001 -1.945 -10.455 1.00 20.12 H new ATOM 0 HB2 PRO A 7 2.613 -1.994 -9.515 1.00 1.24 H new ATOM 0 HB3 PRO A 7 1.586 -0.602 -9.233 1.00 1.24 H new ATOM 0 HG2 PRO A 7 2.232 -2.885 -7.378 1.00 24.31 H new ATOM 0 HG3 PRO A 7 2.142 -1.171 -7.023 1.00 24.31 H new ATOM 0 HD2 PRO A 7 0.097 -2.863 -6.414 1.00 3.13 H new ATOM 0 HD3 PRO A 7 -0.197 -1.191 -6.849 1.00 3.13 H new ATOM 106 N GLY A 8 0.766 -3.990 -11.459 1.00 41.04 N ATOM 107 CA GLY A 8 1.156 -5.244 -12.077 1.00 51.02 C ATOM 108 C GLY A 8 -0.030 -6.017 -12.618 1.00 34.31 C ATOM 109 O GLY A 8 0.048 -7.229 -12.821 1.00 24.55 O ATOM 0 H GLY A 8 0.372 -3.301 -12.100 1.00 41.04 H new ATOM 0 HA2 GLY A 8 1.856 -5.044 -12.888 1.00 51.02 H new ATOM 0 HA3 GLY A 8 1.683 -5.857 -11.346 1.00 51.02 H new ATOM 113 N THR A 9 -1.135 -5.316 -12.852 1.00 15.04 N ATOM 114 CA THR A 9 -2.344 -5.944 -13.369 1.00 73.31 C ATOM 115 C THR A 9 -2.468 -5.741 -14.875 1.00 13.23 C ATOM 116 O THR A 9 -2.303 -4.628 -15.377 1.00 20.20 O ATOM 117 CB THR A 9 -3.605 -5.387 -12.682 1.00 33.53 C ATOM 118 OG1 THR A 9 -3.366 -5.221 -11.280 1.00 31.23 O ATOM 119 CG2 THR A 9 -4.791 -6.317 -12.892 1.00 53.42 C ATOM 0 H THR A 9 -1.217 -4.312 -12.691 1.00 15.04 H new ATOM 0 HA THR A 9 -2.263 -7.009 -13.154 1.00 73.31 H new ATOM 0 HB THR A 9 -3.838 -4.420 -13.128 1.00 33.53 H new ATOM 0 HG1 THR A 9 -2.858 -4.397 -11.130 1.00 31.23 H new ATOM 0 HG21 THR A 9 -5.670 -5.903 -12.398 1.00 53.42 H new ATOM 0 HG22 THR A 9 -4.989 -6.419 -13.959 1.00 53.42 H new ATOM 0 HG23 THR A 9 -4.565 -7.296 -12.470 1.00 53.42 H new ATOM 127 N LEU A 10 -2.761 -6.821 -15.591 1.00 1.22 N ATOM 128 CA LEU A 10 -2.908 -6.761 -17.041 1.00 11.51 C ATOM 129 C LEU A 10 -4.371 -6.574 -17.432 1.00 65.34 C ATOM 130 O LEU A 10 -5.244 -7.318 -16.984 1.00 44.35 O ATOM 131 CB LEU A 10 -2.355 -8.034 -17.683 1.00 4.12 C ATOM 132 CG LEU A 10 -1.908 -7.911 -19.140 1.00 71.51 C ATOM 133 CD1 LEU A 10 -1.161 -9.162 -19.576 1.00 60.24 C ATOM 134 CD2 LEU A 10 -3.105 -7.660 -20.045 1.00 72.14 C ATOM 0 H LEU A 10 -2.901 -7.749 -15.191 1.00 1.22 H new ATOM 0 HA LEU A 10 -2.341 -5.904 -17.404 1.00 11.51 H new ATOM 0 HB2 LEU A 10 -1.506 -8.376 -17.091 1.00 4.12 H new ATOM 0 HB3 LEU A 10 -3.119 -8.809 -17.622 1.00 4.12 H new ATOM 0 HG LEU A 10 -1.231 -7.061 -19.222 1.00 71.51 H new ATOM 0 HD11 LEU A 10 -0.850 -9.057 -20.616 1.00 60.24 H new ATOM 0 HD12 LEU A 10 -0.282 -9.299 -18.947 1.00 60.24 H new ATOM 0 HD13 LEU A 10 -1.815 -10.029 -19.479 1.00 60.24 H new ATOM 0 HD21 LEU A 10 -2.768 -7.575 -21.078 1.00 72.14 H new ATOM 0 HD22 LEU A 10 -3.807 -8.490 -19.959 1.00 72.14 H new ATOM 0 HD23 LEU A 10 -3.599 -6.735 -19.747 1.00 72.14 H new ATOM 146 N VAL A 11 -4.631 -5.578 -18.273 1.00 64.02 N ATOM 147 CA VAL A 11 -5.987 -5.296 -18.728 1.00 43.03 C ATOM 148 C VAL A 11 -6.026 -5.077 -20.237 1.00 21.35 C ATOM 149 O VAL A 11 -5.016 -5.232 -20.923 1.00 23.23 O ATOM 150 CB VAL A 11 -6.568 -4.055 -18.025 1.00 42.23 C ATOM 151 CG1 VAL A 11 -6.527 -4.228 -16.515 1.00 25.13 C ATOM 152 CG2 VAL A 11 -5.814 -2.802 -18.447 1.00 74.43 C ATOM 0 H VAL A 11 -3.920 -4.953 -18.653 1.00 64.02 H new ATOM 0 HA VAL A 11 -6.593 -6.165 -18.474 1.00 43.03 H new ATOM 0 HB VAL A 11 -7.610 -3.943 -18.325 1.00 42.23 H new ATOM 0 HG11 VAL A 11 -6.942 -3.341 -16.036 1.00 25.13 H new ATOM 0 HG12 VAL A 11 -7.115 -5.101 -16.233 1.00 25.13 H new ATOM 0 HG13 VAL A 11 -5.495 -4.366 -16.192 1.00 25.13 H new ATOM 0 HG21 VAL A 11 -6.238 -1.935 -17.941 1.00 74.43 H new ATOM 0 HG22 VAL A 11 -4.763 -2.902 -18.177 1.00 74.43 H new ATOM 0 HG23 VAL A 11 -5.901 -2.671 -19.526 1.00 74.43 H new ATOM 162 N TRP A 12 -7.198 -4.716 -20.746 1.00 20.12 N ATOM 163 CA TRP A 12 -7.369 -4.475 -22.174 1.00 61.31 C ATOM 164 C TRP A 12 -7.771 -3.028 -22.438 1.00 23.30 C ATOM 165 O TRP A 12 -8.661 -2.491 -21.778 1.00 50.41 O ATOM 166 CB TRP A 12 -8.422 -5.423 -22.750 1.00 34.14 C ATOM 167 CG TRP A 12 -7.846 -6.701 -23.280 1.00 4.05 C ATOM 168 CD1 TRP A 12 -6.670 -6.850 -23.957 1.00 65.24 C ATOM 169 CD2 TRP A 12 -8.421 -8.008 -23.177 1.00 25.22 C ATOM 170 NE1 TRP A 12 -6.479 -8.172 -24.282 1.00 44.44 N ATOM 171 CE2 TRP A 12 -7.538 -8.903 -23.814 1.00 12.51 C ATOM 172 CE3 TRP A 12 -9.593 -8.511 -22.607 1.00 13.41 C ATOM 173 CZ2 TRP A 12 -7.795 -10.269 -23.897 1.00 4.54 C ATOM 174 CZ3 TRP A 12 -9.847 -9.867 -22.690 1.00 44.51 C ATOM 175 CH2 TRP A 12 -8.950 -10.733 -23.330 1.00 75.02 C ATOM 0 H TRP A 12 -8.044 -4.584 -20.192 1.00 20.12 H new ATOM 0 HA TRP A 12 -6.414 -4.662 -22.665 1.00 61.31 H new ATOM 0 HB2 TRP A 12 -9.153 -5.656 -21.976 1.00 34.14 H new ATOM 0 HB3 TRP A 12 -8.958 -4.915 -23.552 1.00 34.14 H new ATOM 0 HD1 TRP A 12 -5.990 -6.047 -24.201 1.00 65.24 H new ATOM 0 HE1 TRP A 12 -5.678 -8.548 -24.790 1.00 44.44 H new ATOM 0 HE3 TRP A 12 -10.289 -7.851 -22.110 1.00 13.41 H new ATOM 0 HZ2 TRP A 12 -7.107 -10.938 -24.392 1.00 4.54 H new ATOM 0 HZ3 TRP A 12 -10.751 -10.266 -22.255 1.00 44.51 H new ATOM 0 HH2 TRP A 12 -9.175 -11.788 -23.376 1.00 75.02 H new ATOM 186 N LEU A 13 -7.110 -2.403 -23.406 1.00 11.42 N ATOM 187 CA LEU A 13 -7.399 -1.016 -23.757 1.00 72.51 C ATOM 188 C LEU A 13 -7.942 -0.917 -25.179 1.00 71.00 C ATOM 189 O LEU A 13 -7.249 -1.239 -26.144 1.00 44.31 O ATOM 190 CB LEU A 13 -6.139 -0.161 -23.619 1.00 65.23 C ATOM 191 CG LEU A 13 -6.324 1.207 -22.963 1.00 13.32 C ATOM 192 CD1 LEU A 13 -6.018 1.132 -21.475 1.00 70.51 C ATOM 193 CD2 LEU A 13 -5.442 2.247 -23.639 1.00 13.15 C ATOM 0 H LEU A 13 -6.371 -2.834 -23.962 1.00 11.42 H new ATOM 0 HA LEU A 13 -8.159 -0.644 -23.070 1.00 72.51 H new ATOM 0 HB2 LEU A 13 -5.405 -0.722 -23.041 1.00 65.23 H new ATOM 0 HB3 LEU A 13 -5.716 -0.011 -24.612 1.00 65.23 H new ATOM 0 HG LEU A 13 -7.365 1.508 -23.084 1.00 13.32 H new ATOM 0 HD11 LEU A 13 -6.155 2.115 -21.025 1.00 70.51 H new ATOM 0 HD12 LEU A 13 -6.692 0.419 -21.000 1.00 70.51 H new ATOM 0 HD13 LEU A 13 -4.987 0.808 -21.331 1.00 70.51 H new ATOM 0 HD21 LEU A 13 -5.587 3.215 -23.159 1.00 13.15 H new ATOM 0 HD22 LEU A 13 -4.397 1.951 -23.550 1.00 13.15 H new ATOM 0 HD23 LEU A 13 -5.710 2.321 -24.693 1.00 13.15 H new ATOM 205 N LYS A 14 -9.186 -0.467 -25.302 1.00 34.44 N ATOM 206 CA LYS A 14 -9.823 -0.321 -26.605 1.00 62.33 C ATOM 207 C LYS A 14 -9.916 1.148 -27.004 1.00 3.12 C ATOM 208 O LYS A 14 -10.531 1.952 -26.304 1.00 23.02 O ATOM 209 CB LYS A 14 -11.220 -0.945 -26.586 1.00 52.14 C ATOM 210 CG LYS A 14 -11.816 -1.143 -27.969 1.00 75.22 C ATOM 211 CD LYS A 14 -13.257 -1.621 -27.892 1.00 62.11 C ATOM 212 CE LYS A 14 -14.236 -0.475 -28.098 1.00 21.44 C ATOM 213 NZ LYS A 14 -15.545 -0.952 -28.624 1.00 21.01 N ATOM 0 H LYS A 14 -9.774 -0.197 -24.513 1.00 34.44 H new ATOM 0 HA LYS A 14 -9.210 -0.841 -27.341 1.00 62.33 H new ATOM 0 HB2 LYS A 14 -11.172 -1.909 -26.079 1.00 52.14 H new ATOM 0 HB3 LYS A 14 -11.885 -0.310 -26.001 1.00 52.14 H new ATOM 0 HG2 LYS A 14 -11.772 -0.205 -28.523 1.00 75.22 H new ATOM 0 HG3 LYS A 14 -11.220 -1.869 -28.523 1.00 75.22 H new ATOM 0 HD2 LYS A 14 -13.428 -2.387 -28.648 1.00 62.11 H new ATOM 0 HD3 LYS A 14 -13.436 -2.084 -26.922 1.00 62.11 H new ATOM 0 HE2 LYS A 14 -14.392 0.044 -27.152 1.00 21.44 H new ATOM 0 HE3 LYS A 14 -13.808 0.248 -28.792 1.00 21.44 H new ATOM 0 HZ1 LYS A 14 -16.184 -0.142 -28.751 1.00 21.01 H new ATOM 0 HZ2 LYS A 14 -15.400 -1.425 -29.539 1.00 21.01 H new ATOM 0 HZ3 LYS A 14 -15.966 -1.623 -27.950 1.00 21.01 H new ATOM 227 N GLN A 15 -9.302 1.490 -28.132 1.00 55.52 N ATOM 228 CA GLN A 15 -9.318 2.863 -28.623 1.00 44.41 C ATOM 229 C GLN A 15 -10.673 3.210 -29.230 1.00 72.30 C ATOM 230 O GLN A 15 -11.591 2.389 -29.233 1.00 63.34 O ATOM 231 CB GLN A 15 -8.213 3.068 -29.662 1.00 13.34 C ATOM 232 CG GLN A 15 -7.246 4.186 -29.308 1.00 41.55 C ATOM 233 CD GLN A 15 -5.797 3.746 -29.373 1.00 3.42 C ATOM 234 OE1 GLN A 15 -5.293 3.094 -28.458 1.00 61.43 O ATOM 235 NE2 GLN A 15 -5.117 4.102 -30.457 1.00 12.12 N ATOM 0 H GLN A 15 -8.788 0.836 -28.722 1.00 55.52 H new ATOM 0 HA GLN A 15 -9.140 3.526 -27.777 1.00 44.41 H new ATOM 0 HB2 GLN A 15 -7.655 2.138 -29.775 1.00 13.34 H new ATOM 0 HB3 GLN A 15 -8.669 3.286 -30.628 1.00 13.34 H new ATOM 0 HG2 GLN A 15 -7.399 5.023 -29.990 1.00 41.55 H new ATOM 0 HG3 GLN A 15 -7.467 4.548 -28.304 1.00 41.55 H new ATOM 0 HE21 GLN A 15 -5.574 4.642 -31.191 1.00 12.12 H new ATOM 0 HE22 GLN A 15 -4.137 3.835 -30.555 1.00 12.12 H new ATOM 244 N ASP A 16 -10.792 4.430 -29.742 1.00 73.40 N ATOM 245 CA ASP A 16 -12.036 4.885 -30.353 1.00 30.44 C ATOM 246 C ASP A 16 -12.364 4.063 -31.595 1.00 64.24 C ATOM 247 O ASP A 16 -13.392 3.389 -31.652 1.00 73.25 O ATOM 248 CB ASP A 16 -11.938 6.367 -30.717 1.00 62.32 C ATOM 249 CG ASP A 16 -12.958 7.213 -29.981 1.00 61.11 C ATOM 250 OD1 ASP A 16 -14.102 6.744 -29.805 1.00 52.13 O ATOM 251 OD2 ASP A 16 -12.612 8.343 -29.580 1.00 43.51 O ATOM 0 H ASP A 16 -10.042 5.122 -29.746 1.00 73.40 H new ATOM 0 HA ASP A 16 -12.839 4.750 -29.628 1.00 30.44 H new ATOM 0 HB2 ASP A 16 -10.936 6.729 -30.487 1.00 62.32 H new ATOM 0 HB3 ASP A 16 -12.080 6.484 -31.791 1.00 62.32 H new ATOM 256 N ARG A 17 -11.483 4.125 -32.589 1.00 22.23 N ATOM 257 CA ARG A 17 -11.680 3.388 -33.831 1.00 43.44 C ATOM 258 C ARG A 17 -10.805 2.138 -33.867 1.00 52.51 C ATOM 259 O ARG A 17 -11.118 1.169 -34.558 1.00 71.30 O ATOM 260 CB ARG A 17 -11.362 4.280 -35.033 1.00 55.23 C ATOM 261 CG ARG A 17 -12.531 5.145 -35.475 1.00 14.50 C ATOM 262 CD ARG A 17 -13.164 4.617 -36.753 1.00 43.42 C ATOM 263 NE ARG A 17 -14.015 5.615 -37.395 1.00 75.12 N ATOM 264 CZ ARG A 17 -14.660 5.405 -38.538 1.00 1.33 C ATOM 265 NH1 ARG A 17 -14.550 4.240 -39.160 1.00 72.14 N ATOM 266 NH2 ARG A 17 -15.416 6.362 -39.059 1.00 55.53 N ATOM 0 H ARG A 17 -10.626 4.678 -32.558 1.00 22.23 H new ATOM 0 HA ARG A 17 -12.725 3.081 -33.880 1.00 43.44 H new ATOM 0 HB2 ARG A 17 -10.518 4.924 -34.784 1.00 55.23 H new ATOM 0 HB3 ARG A 17 -11.049 3.653 -35.868 1.00 55.23 H new ATOM 0 HG2 ARG A 17 -13.280 5.178 -34.684 1.00 14.50 H new ATOM 0 HG3 ARG A 17 -12.189 6.168 -35.633 1.00 14.50 H new ATOM 0 HD2 ARG A 17 -12.380 4.309 -37.445 1.00 43.42 H new ATOM 0 HD3 ARG A 17 -13.754 3.730 -36.525 1.00 43.42 H new ATOM 0 HE ARG A 17 -14.120 6.523 -36.942 1.00 75.12 H new ATOM 0 HH11 ARG A 17 -13.969 3.502 -38.762 1.00 72.14 H new ATOM 0 HH12 ARG A 17 -15.046 4.081 -40.037 1.00 72.14 H new ATOM 0 HH21 ARG A 17 -15.503 7.260 -38.583 1.00 55.53 H new ATOM 0 HH22 ARG A 17 -15.911 6.200 -39.936 1.00 55.53 H new ATOM 280 N PHE A 18 -9.708 2.169 -33.118 1.00 62.13 N ATOM 281 CA PHE A 18 -8.787 1.039 -33.065 1.00 41.43 C ATOM 282 C PHE A 18 -9.326 -0.059 -32.154 1.00 22.23 C ATOM 283 O PHE A 18 -10.149 0.181 -31.270 1.00 24.52 O ATOM 284 CB PHE A 18 -7.412 1.497 -32.573 1.00 54.43 C ATOM 285 CG PHE A 18 -6.374 1.546 -33.657 1.00 4.50 C ATOM 286 CD1 PHE A 18 -5.138 0.945 -33.478 1.00 51.44 C ATOM 287 CD2 PHE A 18 -6.632 2.194 -34.854 1.00 55.22 C ATOM 288 CE1 PHE A 18 -4.180 0.988 -34.474 1.00 0.42 C ATOM 289 CE2 PHE A 18 -5.679 2.240 -35.853 1.00 44.12 C ATOM 290 CZ PHE A 18 -4.450 1.638 -35.662 1.00 74.44 C ATOM 0 H PHE A 18 -9.435 2.964 -32.540 1.00 62.13 H new ATOM 0 HA PHE A 18 -8.688 0.635 -34.073 1.00 41.43 H new ATOM 0 HB2 PHE A 18 -7.506 2.487 -32.126 1.00 54.43 H new ATOM 0 HB3 PHE A 18 -7.073 0.823 -31.787 1.00 54.43 H new ATOM 0 HD1 PHE A 18 -4.921 0.437 -32.550 1.00 51.44 H new ATOM 0 HD2 PHE A 18 -7.590 2.669 -35.008 1.00 55.22 H new ATOM 0 HE1 PHE A 18 -3.222 0.514 -34.323 1.00 0.42 H new ATOM 0 HE2 PHE A 18 -5.894 2.746 -36.782 1.00 44.12 H new ATOM 0 HZ PHE A 18 -3.702 1.676 -36.440 1.00 74.44 H new ATOM 300 N PRO A 19 -8.852 -1.295 -32.373 1.00 41.30 N ATOM 301 CA PRO A 19 -9.272 -2.456 -31.582 1.00 43.53 C ATOM 302 C PRO A 19 -8.747 -2.402 -30.151 1.00 74.54 C ATOM 303 O PRO A 19 -8.172 -1.400 -29.728 1.00 52.21 O ATOM 304 CB PRO A 19 -8.656 -3.638 -32.334 1.00 62.20 C ATOM 305 CG PRO A 19 -7.484 -3.062 -33.052 1.00 31.24 C ATOM 306 CD PRO A 19 -7.869 -1.653 -33.409 1.00 73.55 C ATOM 0 HA PRO A 19 -10.356 -2.514 -31.485 1.00 43.53 H new ATOM 0 HB2 PRO A 19 -8.351 -4.428 -31.648 1.00 62.20 H new ATOM 0 HB3 PRO A 19 -9.369 -4.079 -33.030 1.00 62.20 H new ATOM 0 HG2 PRO A 19 -6.595 -3.076 -32.422 1.00 31.24 H new ATOM 0 HG3 PRO A 19 -7.250 -3.641 -33.945 1.00 31.24 H new ATOM 0 HD2 PRO A 19 -7.008 -0.985 -33.394 1.00 73.55 H new ATOM 0 HD3 PRO A 19 -8.300 -1.595 -34.409 1.00 73.55 H new ATOM 314 N TRP A 20 -8.949 -3.487 -29.412 1.00 53.00 N ATOM 315 CA TRP A 20 -8.496 -3.563 -28.028 1.00 21.32 C ATOM 316 C TRP A 20 -7.220 -4.391 -27.918 1.00 34.43 C ATOM 317 O TRP A 20 -7.170 -5.534 -28.373 1.00 53.11 O ATOM 318 CB TRP A 20 -9.589 -4.167 -27.144 1.00 64.33 C ATOM 319 CG TRP A 20 -10.027 -5.530 -27.589 1.00 44.11 C ATOM 320 CD1 TRP A 20 -9.530 -6.729 -27.165 1.00 62.44 C ATOM 321 CD2 TRP A 20 -11.049 -5.832 -28.545 1.00 43.21 C ATOM 322 NE1 TRP A 20 -10.182 -7.759 -27.801 1.00 4.15 N ATOM 323 CE2 TRP A 20 -11.119 -7.235 -28.651 1.00 45.22 C ATOM 324 CE3 TRP A 20 -11.913 -5.054 -29.320 1.00 71.11 C ATOM 325 CZ2 TRP A 20 -12.017 -7.873 -29.502 1.00 13.21 C ATOM 326 CZ3 TRP A 20 -12.804 -5.689 -30.164 1.00 54.21 C ATOM 327 CH2 TRP A 20 -12.852 -7.087 -30.249 1.00 43.41 C ATOM 0 H TRP A 20 -9.423 -4.325 -29.748 1.00 53.00 H new ATOM 0 HA TRP A 20 -8.281 -2.551 -27.686 1.00 21.32 H new ATOM 0 HB2 TRP A 20 -9.225 -4.227 -26.118 1.00 64.33 H new ATOM 0 HB3 TRP A 20 -10.451 -3.500 -27.138 1.00 64.33 H new ATOM 0 HD1 TRP A 20 -8.741 -6.850 -26.437 1.00 62.44 H new ATOM 0 HE1 TRP A 20 -9.998 -8.753 -27.662 1.00 4.15 H new ATOM 0 HE3 TRP A 20 -11.885 -3.976 -29.260 1.00 71.11 H new ATOM 0 HZ2 TRP A 20 -12.054 -8.950 -29.570 1.00 13.21 H new ATOM 0 HZ3 TRP A 20 -13.475 -5.097 -30.769 1.00 54.21 H new ATOM 0 HH2 TRP A 20 -13.561 -7.553 -30.917 1.00 43.41 H new ATOM 338 N TRP A 21 -6.193 -3.809 -27.311 1.00 43.31 N ATOM 339 CA TRP A 21 -4.917 -4.494 -27.142 1.00 24.34 C ATOM 340 C TRP A 21 -4.563 -4.629 -25.665 1.00 1.24 C ATOM 341 O TRP A 21 -4.945 -3.806 -24.833 1.00 14.42 O ATOM 342 CB TRP A 21 -3.808 -3.741 -27.878 1.00 4.23 C ATOM 343 CG TRP A 21 -3.218 -4.516 -29.017 1.00 54.44 C ATOM 344 CD1 TRP A 21 -1.924 -4.932 -29.143 1.00 3.40 C ATOM 345 CD2 TRP A 21 -3.902 -4.965 -30.192 1.00 70.03 C ATOM 346 NE1 TRP A 21 -1.761 -5.613 -30.325 1.00 53.44 N ATOM 347 CE2 TRP A 21 -2.960 -5.648 -30.987 1.00 12.31 C ATOM 348 CE3 TRP A 21 -5.218 -4.859 -30.650 1.00 33.14 C ATOM 349 CZ2 TRP A 21 -3.295 -6.219 -32.212 1.00 2.03 C ATOM 350 CZ3 TRP A 21 -5.549 -5.426 -31.866 1.00 24.44 C ATOM 351 CH2 TRP A 21 -4.591 -6.100 -32.635 1.00 24.00 C ATOM 0 H TRP A 21 -6.219 -2.864 -26.927 1.00 43.31 H new ATOM 0 HA TRP A 21 -5.011 -5.493 -27.567 1.00 24.34 H new ATOM 0 HB2 TRP A 21 -4.207 -2.800 -28.257 1.00 4.23 H new ATOM 0 HB3 TRP A 21 -3.018 -3.490 -27.171 1.00 4.23 H new ATOM 0 HD1 TRP A 21 -1.143 -4.752 -28.419 1.00 3.40 H new ATOM 0 HE1 TRP A 21 -0.889 -6.026 -30.656 1.00 53.44 H new ATOM 0 HE3 TRP A 21 -5.964 -4.343 -30.064 1.00 33.14 H new ATOM 0 HZ2 TRP A 21 -2.558 -6.738 -32.807 1.00 2.03 H new ATOM 0 HZ3 TRP A 21 -6.563 -5.348 -32.230 1.00 24.44 H new ATOM 0 HH2 TRP A 21 -4.881 -6.534 -33.580 1.00 24.00 H new ATOM 362 N PRO A 22 -3.815 -5.690 -25.328 1.00 72.32 N ATOM 363 CA PRO A 22 -3.393 -5.956 -23.950 1.00 31.51 C ATOM 364 C PRO A 22 -2.361 -4.949 -23.455 1.00 21.21 C ATOM 365 O PRO A 22 -1.554 -4.440 -24.232 1.00 21.25 O ATOM 366 CB PRO A 22 -2.778 -7.356 -24.031 1.00 54.01 C ATOM 367 CG PRO A 22 -2.335 -7.494 -25.447 1.00 14.42 C ATOM 368 CD PRO A 22 -3.324 -6.712 -26.268 1.00 23.23 C ATOM 0 HA PRO A 22 -4.223 -5.880 -23.248 1.00 31.51 H new ATOM 0 HB2 PRO A 22 -1.940 -7.461 -23.342 1.00 54.01 H new ATOM 0 HB3 PRO A 22 -3.505 -8.124 -23.767 1.00 54.01 H new ATOM 0 HG2 PRO A 22 -1.325 -7.107 -25.579 1.00 14.42 H new ATOM 0 HG3 PRO A 22 -2.317 -8.541 -25.750 1.00 14.42 H new ATOM 0 HD2 PRO A 22 -2.854 -6.261 -27.142 1.00 23.23 H new ATOM 0 HD3 PRO A 22 -4.133 -7.345 -26.632 1.00 23.23 H new ATOM 376 N GLY A 23 -2.392 -4.666 -22.156 1.00 53.11 N ATOM 377 CA GLY A 23 -1.454 -3.721 -21.580 1.00 41.52 C ATOM 378 C GLY A 23 -1.319 -3.879 -20.079 1.00 31.13 C ATOM 379 O GLY A 23 -2.317 -3.996 -19.367 1.00 71.34 O ATOM 0 H GLY A 23 -3.050 -5.075 -21.493 1.00 53.11 H new ATOM 0 HA2 GLY A 23 -0.477 -3.854 -22.045 1.00 41.52 H new ATOM 0 HA3 GLY A 23 -1.780 -2.706 -21.807 1.00 41.52 H new ATOM 383 N PHE A 24 -0.081 -3.885 -19.595 1.00 15.43 N ATOM 384 CA PHE A 24 0.181 -4.033 -18.168 1.00 13.11 C ATOM 385 C PHE A 24 0.083 -2.688 -17.454 1.00 52.22 C ATOM 386 O PHE A 24 0.821 -1.752 -17.764 1.00 73.44 O ATOM 387 CB PHE A 24 1.566 -4.643 -17.943 1.00 11.31 C ATOM 388 CG PHE A 24 1.565 -5.793 -16.978 1.00 33.43 C ATOM 389 CD1 PHE A 24 0.985 -7.004 -17.323 1.00 12.45 C ATOM 390 CD2 PHE A 24 2.143 -5.665 -15.725 1.00 42.22 C ATOM 391 CE1 PHE A 24 0.982 -8.065 -16.437 1.00 3.32 C ATOM 392 CE2 PHE A 24 2.144 -6.722 -14.836 1.00 22.44 C ATOM 393 CZ PHE A 24 1.562 -7.923 -15.191 1.00 71.42 C ATOM 0 H PHE A 24 0.756 -3.789 -20.170 1.00 15.43 H new ATOM 0 HA PHE A 24 -0.574 -4.700 -17.753 1.00 13.11 H new ATOM 0 HB2 PHE A 24 1.965 -4.982 -18.899 1.00 11.31 H new ATOM 0 HB3 PHE A 24 2.239 -3.869 -17.573 1.00 11.31 H new ATOM 0 HD1 PHE A 24 0.530 -7.120 -18.296 1.00 12.45 H new ATOM 0 HD2 PHE A 24 2.598 -4.728 -15.440 1.00 42.22 H new ATOM 0 HE1 PHE A 24 0.527 -9.003 -16.718 1.00 3.32 H new ATOM 0 HE2 PHE A 24 2.600 -6.609 -13.863 1.00 22.44 H new ATOM 0 HZ PHE A 24 1.560 -8.750 -14.496 1.00 71.42 H new ATOM 403 N VAL A 25 -0.834 -2.598 -16.496 1.00 75.23 N ATOM 404 CA VAL A 25 -1.030 -1.369 -15.737 1.00 42.34 C ATOM 405 C VAL A 25 0.106 -1.149 -14.745 1.00 24.11 C ATOM 406 O VAL A 25 0.303 -1.944 -13.826 1.00 5.40 O ATOM 407 CB VAL A 25 -2.367 -1.387 -14.974 1.00 14.11 C ATOM 408 CG1 VAL A 25 -2.515 -0.133 -14.125 1.00 71.23 C ATOM 409 CG2 VAL A 25 -3.532 -1.525 -15.943 1.00 43.21 C ATOM 0 H VAL A 25 -1.453 -3.363 -16.227 1.00 75.23 H new ATOM 0 HA VAL A 25 -1.043 -0.551 -16.457 1.00 42.34 H new ATOM 0 HB VAL A 25 -2.373 -2.250 -14.308 1.00 14.11 H new ATOM 0 HG11 VAL A 25 -3.466 -0.164 -13.593 1.00 71.23 H new ATOM 0 HG12 VAL A 25 -1.698 -0.083 -13.405 1.00 71.23 H new ATOM 0 HG13 VAL A 25 -2.487 0.747 -14.768 1.00 71.23 H new ATOM 0 HG21 VAL A 25 -4.469 -1.536 -15.386 1.00 43.21 H new ATOM 0 HG22 VAL A 25 -3.531 -0.683 -16.635 1.00 43.21 H new ATOM 0 HG23 VAL A 25 -3.432 -2.455 -16.503 1.00 43.21 H new ATOM 419 N MET A 26 0.851 -0.065 -14.937 1.00 20.14 N ATOM 420 CA MET A 26 1.967 0.260 -14.057 1.00 4.15 C ATOM 421 C MET A 26 1.971 1.745 -13.709 1.00 13.42 C ATOM 422 O MET A 26 1.670 2.591 -14.552 1.00 60.51 O ATOM 423 CB MET A 26 3.293 -0.124 -14.716 1.00 23.20 C ATOM 424 CG MET A 26 3.336 -1.564 -15.200 1.00 62.42 C ATOM 425 SD MET A 26 5.017 -2.202 -15.334 1.00 64.33 S ATOM 426 CE MET A 26 4.905 -3.670 -14.314 1.00 72.44 C ATOM 0 H MET A 26 0.702 0.603 -15.694 1.00 20.14 H new ATOM 0 HA MET A 26 1.848 -0.311 -13.136 1.00 4.15 H new ATOM 0 HB2 MET A 26 3.475 0.540 -15.561 1.00 23.20 H new ATOM 0 HB3 MET A 26 4.103 0.036 -14.004 1.00 23.20 H new ATOM 0 HG2 MET A 26 2.767 -2.191 -14.513 1.00 62.42 H new ATOM 0 HG3 MET A 26 2.847 -1.631 -16.172 1.00 62.42 H new ATOM 0 HE1 MET A 26 5.849 -3.823 -13.791 1.00 72.44 H new ATOM 0 HE2 MET A 26 4.103 -3.547 -13.586 1.00 72.44 H new ATOM 0 HE3 MET A 26 4.695 -4.535 -14.943 1.00 72.44 H new ATOM 436 N ASP A 27 2.312 2.056 -12.463 1.00 71.11 N ATOM 437 CA ASP A 27 2.355 3.440 -12.004 1.00 71.45 C ATOM 438 C ASP A 27 3.697 4.082 -12.341 1.00 52.21 C ATOM 439 O ASP A 27 4.742 3.431 -12.342 1.00 12.22 O ATOM 440 CB ASP A 27 2.107 3.507 -10.497 1.00 13.42 C ATOM 441 CG ASP A 27 0.983 4.460 -10.137 1.00 63.22 C ATOM 442 OD1 ASP A 27 0.036 4.591 -10.941 1.00 21.12 O ATOM 443 OD2 ASP A 27 1.051 5.073 -9.052 1.00 12.41 O ATOM 0 H ASP A 27 2.563 1.368 -11.753 1.00 71.11 H new ATOM 0 HA ASP A 27 1.569 3.993 -12.518 1.00 71.45 H new ATOM 0 HB2 ASP A 27 1.867 2.510 -10.126 1.00 13.42 H new ATOM 0 HB3 ASP A 27 3.022 3.822 -9.995 1.00 13.42 H new ATOM 448 N PRO A 28 3.670 5.390 -12.635 1.00 55.55 N ATOM 449 CA PRO A 28 4.875 6.150 -12.980 1.00 23.30 C ATOM 450 C PRO A 28 5.803 6.338 -11.785 1.00 21.04 C ATOM 451 O PRO A 28 7.025 6.267 -11.918 1.00 11.22 O ATOM 452 CB PRO A 28 4.324 7.499 -13.446 1.00 54.24 C ATOM 453 CG PRO A 28 3.006 7.626 -12.763 1.00 52.22 C ATOM 454 CD PRO A 28 2.460 6.230 -12.654 1.00 75.51 C ATOM 0 HA PRO A 28 5.478 5.639 -13.731 1.00 23.30 H new ATOM 0 HB2 PRO A 28 4.992 8.316 -13.172 1.00 54.24 H new ATOM 0 HB3 PRO A 28 4.213 7.528 -14.530 1.00 54.24 H new ATOM 0 HG2 PRO A 28 3.119 8.079 -11.778 1.00 52.22 H new ATOM 0 HG3 PRO A 28 2.331 8.265 -13.332 1.00 52.22 H new ATOM 0 HD2 PRO A 28 1.867 6.100 -11.749 1.00 75.51 H new ATOM 0 HD3 PRO A 28 1.814 5.984 -13.497 1.00 75.51 H new ATOM 462 N ASP A 29 5.215 6.577 -10.618 1.00 4.45 N ATOM 463 CA ASP A 29 5.990 6.774 -9.398 1.00 12.34 C ATOM 464 C ASP A 29 5.071 6.981 -8.198 1.00 14.01 C ATOM 465 O ASP A 29 5.271 7.897 -7.402 1.00 0.54 O ATOM 466 CB ASP A 29 6.926 7.974 -9.551 1.00 25.32 C ATOM 467 CG ASP A 29 8.257 7.762 -8.855 1.00 71.34 C ATOM 468 OD1 ASP A 29 8.821 6.654 -8.977 1.00 75.22 O ATOM 469 OD2 ASP A 29 8.735 8.704 -8.190 1.00 51.12 O ATOM 0 H ASP A 29 4.205 6.639 -10.491 1.00 4.45 H new ATOM 0 HA ASP A 29 6.586 5.877 -9.227 1.00 12.34 H new ATOM 0 HB2 ASP A 29 7.099 8.163 -10.610 1.00 25.32 H new ATOM 0 HB3 ASP A 29 6.443 8.862 -9.143 1.00 25.32 H new ATOM 474 N GLU A 30 4.062 6.123 -8.077 1.00 1.44 N ATOM 475 CA GLU A 30 3.111 6.214 -6.975 1.00 2.22 C ATOM 476 C GLU A 30 2.326 7.521 -7.040 1.00 3.21 C ATOM 477 O GLU A 30 2.600 8.460 -6.292 1.00 53.55 O ATOM 478 CB GLU A 30 3.840 6.110 -5.633 1.00 52.23 C ATOM 479 CG GLU A 30 4.874 4.998 -5.587 1.00 34.33 C ATOM 480 CD GLU A 30 6.293 5.524 -5.497 1.00 60.35 C ATOM 481 OE1 GLU A 30 7.167 4.997 -6.218 1.00 54.13 O ATOM 482 OE2 GLU A 30 6.530 6.461 -4.707 1.00 65.04 O ATOM 0 H GLU A 30 3.882 5.358 -8.728 1.00 1.44 H new ATOM 0 HA GLU A 30 2.410 5.384 -7.065 1.00 2.22 H new ATOM 0 HB2 GLU A 30 4.331 7.060 -5.421 1.00 52.23 H new ATOM 0 HB3 GLU A 30 3.107 5.946 -4.843 1.00 52.23 H new ATOM 0 HG2 GLU A 30 4.674 4.356 -4.729 1.00 34.33 H new ATOM 0 HG3 GLU A 30 4.776 4.379 -6.479 1.00 34.33 H new ATOM 489 N VAL A 31 1.349 7.574 -7.940 1.00 24.22 N ATOM 490 CA VAL A 31 0.524 8.764 -8.103 1.00 52.42 C ATOM 491 C VAL A 31 -0.736 8.681 -7.249 1.00 72.10 C ATOM 492 O VAL A 31 -1.688 9.435 -7.453 1.00 5.34 O ATOM 493 CB VAL A 31 0.120 8.970 -9.575 1.00 61.34 C ATOM 494 CG1 VAL A 31 1.334 9.333 -10.417 1.00 23.35 C ATOM 495 CG2 VAL A 31 -0.562 7.724 -10.119 1.00 72.41 C ATOM 0 H VAL A 31 1.110 6.806 -8.567 1.00 24.22 H new ATOM 0 HA VAL A 31 1.125 9.612 -7.777 1.00 52.42 H new ATOM 0 HB VAL A 31 -0.588 9.797 -9.627 1.00 61.34 H new ATOM 0 HG11 VAL A 31 1.029 9.475 -11.454 1.00 23.35 H new ATOM 0 HG12 VAL A 31 1.776 10.255 -10.040 1.00 23.35 H new ATOM 0 HG13 VAL A 31 2.069 8.530 -10.362 1.00 23.35 H new ATOM 0 HG21 VAL A 31 -0.841 7.887 -11.160 1.00 72.41 H new ATOM 0 HG22 VAL A 31 0.122 6.878 -10.055 1.00 72.41 H new ATOM 0 HG23 VAL A 31 -1.456 7.513 -9.533 1.00 72.41 H new ATOM 505 N ARG A 32 -0.736 7.759 -6.292 1.00 25.02 N ATOM 506 CA ARG A 32 -1.879 7.576 -5.406 1.00 52.14 C ATOM 507 C ARG A 32 -1.744 8.442 -4.157 1.00 64.12 C ATOM 508 O ARG A 32 -2.738 8.915 -3.606 1.00 60.44 O ATOM 509 CB ARG A 32 -2.013 6.105 -5.008 1.00 40.13 C ATOM 510 CG ARG A 32 -2.619 5.233 -6.095 1.00 63.45 C ATOM 511 CD ARG A 32 -4.138 5.298 -6.081 1.00 1.52 C ATOM 512 NE ARG A 32 -4.700 4.695 -4.876 1.00 33.23 N ATOM 513 CZ ARG A 32 -5.993 4.429 -4.721 1.00 44.22 C ATOM 514 NH1 ARG A 32 -6.851 4.712 -5.691 1.00 14.01 N ATOM 515 NH2 ARG A 32 -6.428 3.879 -3.595 1.00 71.21 N ATOM 0 H ARG A 32 0.043 7.127 -6.110 1.00 25.02 H new ATOM 0 HA ARG A 32 -2.776 7.883 -5.944 1.00 52.14 H new ATOM 0 HB2 ARG A 32 -1.028 5.716 -4.749 1.00 40.13 H new ATOM 0 HB3 ARG A 32 -2.629 6.035 -4.112 1.00 40.13 H new ATOM 0 HG2 ARG A 32 -2.249 5.554 -7.069 1.00 63.45 H new ATOM 0 HG3 ARG A 32 -2.297 4.201 -5.956 1.00 63.45 H new ATOM 0 HD2 ARG A 32 -4.457 6.338 -6.149 1.00 1.52 H new ATOM 0 HD3 ARG A 32 -4.531 4.786 -6.960 1.00 1.52 H new ATOM 0 HE ARG A 32 -4.066 4.465 -4.111 1.00 33.23 H new ATOM 0 HH11 ARG A 32 -6.519 5.135 -6.558 1.00 14.01 H new ATOM 0 HH12 ARG A 32 -7.843 4.507 -5.570 1.00 14.01 H new ATOM 0 HH21 ARG A 32 -5.770 3.660 -2.847 1.00 71.21 H new ATOM 0 HH22 ARG A 32 -7.420 3.675 -3.477 1.00 71.21 H new ATOM 529 N ASP A 33 -0.507 8.645 -3.716 1.00 31.42 N ATOM 530 CA ASP A 33 -0.241 9.454 -2.532 1.00 61.31 C ATOM 531 C ASP A 33 0.310 10.822 -2.922 1.00 31.13 C ATOM 532 O ASP A 33 0.063 11.818 -2.241 1.00 23.22 O ATOM 533 CB ASP A 33 0.746 8.737 -1.609 1.00 70.25 C ATOM 534 CG ASP A 33 0.058 8.057 -0.442 1.00 10.32 C ATOM 535 OD1 ASP A 33 -0.572 8.767 0.371 1.00 60.33 O ATOM 536 OD2 ASP A 33 0.149 6.816 -0.341 1.00 13.11 O ATOM 0 H ASP A 33 0.327 8.261 -4.160 1.00 31.42 H new ATOM 0 HA ASP A 33 -1.182 9.599 -2.002 1.00 61.31 H new ATOM 0 HB2 ASP A 33 1.301 7.995 -2.182 1.00 70.25 H new ATOM 0 HB3 ASP A 33 1.472 9.456 -1.230 1.00 70.25 H new ATOM 541 N ILE A 34 1.057 10.862 -4.020 1.00 11.52 N ATOM 542 CA ILE A 34 1.642 12.108 -4.499 1.00 42.23 C ATOM 543 C ILE A 34 1.057 12.507 -5.850 1.00 21.50 C ATOM 544 O ILE A 34 1.273 11.831 -6.857 1.00 32.01 O ATOM 545 CB ILE A 34 3.173 11.998 -4.628 1.00 40.11 C ATOM 546 CG1 ILE A 34 3.775 11.428 -3.342 1.00 42.50 C ATOM 547 CG2 ILE A 34 3.777 13.358 -4.945 1.00 61.13 C ATOM 548 CD1 ILE A 34 3.955 9.927 -3.372 1.00 61.24 C ATOM 0 H ILE A 34 1.271 10.047 -4.594 1.00 11.52 H new ATOM 0 HA ILE A 34 1.401 12.873 -3.761 1.00 42.23 H new ATOM 0 HB ILE A 34 3.406 11.319 -5.448 1.00 40.11 H new ATOM 0 HG12 ILE A 34 4.742 11.898 -3.164 1.00 42.50 H new ATOM 0 HG13 ILE A 34 3.133 11.692 -2.502 1.00 42.50 H new ATOM 0 HG21 ILE A 34 4.859 13.264 -5.033 1.00 61.13 H new ATOM 0 HG22 ILE A 34 3.367 13.728 -5.885 1.00 61.13 H new ATOM 0 HG23 ILE A 34 3.538 14.058 -4.144 1.00 61.13 H new ATOM 0 HD11 ILE A 34 4.386 9.593 -2.428 1.00 61.24 H new ATOM 0 HD12 ILE A 34 2.987 9.447 -3.519 1.00 61.24 H new ATOM 0 HD13 ILE A 34 4.622 9.657 -4.191 1.00 61.24 H new ATOM 560 N THR A 35 0.316 13.610 -5.865 1.00 53.05 N ATOM 561 CA THR A 35 -0.300 14.100 -7.092 1.00 74.31 C ATOM 562 C THR A 35 0.376 15.377 -7.575 1.00 45.24 C ATOM 563 O THR A 35 0.158 16.455 -7.021 1.00 45.43 O ATOM 564 CB THR A 35 -1.804 14.372 -6.896 1.00 21.51 C ATOM 565 OG1 THR A 35 -2.327 15.072 -8.030 1.00 31.01 O ATOM 566 CG2 THR A 35 -2.046 15.186 -5.634 1.00 74.02 C ATOM 0 H THR A 35 0.128 14.181 -5.041 1.00 53.05 H new ATOM 0 HA THR A 35 -0.174 13.319 -7.842 1.00 74.31 H new ATOM 0 HB THR A 35 -2.314 13.414 -6.795 1.00 21.51 H new ATOM 0 HG1 THR A 35 -3.284 15.240 -7.898 1.00 31.01 H new ATOM 0 HG21 THR A 35 -3.115 15.366 -5.516 1.00 74.02 H new ATOM 0 HG22 THR A 35 -1.673 14.637 -4.770 1.00 74.02 H new ATOM 0 HG23 THR A 35 -1.524 16.140 -5.711 1.00 74.02 H new ATOM 574 N LEU A 36 1.198 15.250 -8.612 1.00 11.14 N ATOM 575 CA LEU A 36 1.907 16.396 -9.171 1.00 30.11 C ATOM 576 C LEU A 36 1.460 16.667 -10.604 1.00 33.42 C ATOM 577 O LEU A 36 1.013 15.771 -11.320 1.00 75.13 O ATOM 578 CB LEU A 36 3.417 16.154 -9.133 1.00 10.21 C ATOM 579 CG LEU A 36 4.057 16.125 -7.745 1.00 23.43 C ATOM 580 CD1 LEU A 36 5.482 15.600 -7.825 1.00 65.03 C ATOM 581 CD2 LEU A 36 4.032 17.510 -7.116 1.00 12.11 C ATOM 0 H LEU A 36 1.390 14.365 -9.082 1.00 11.14 H new ATOM 0 HA LEU A 36 1.670 17.270 -8.565 1.00 30.11 H new ATOM 0 HB2 LEU A 36 3.625 15.205 -9.627 1.00 10.21 H new ATOM 0 HB3 LEU A 36 3.904 16.933 -9.720 1.00 10.21 H new ATOM 0 HG LEU A 36 3.478 15.451 -7.114 1.00 23.43 H new ATOM 0 HD11 LEU A 36 5.921 15.587 -6.828 1.00 65.03 H new ATOM 0 HD12 LEU A 36 5.475 14.589 -8.232 1.00 65.03 H new ATOM 0 HD13 LEU A 36 6.073 16.248 -8.473 1.00 65.03 H new ATOM 0 HD21 LEU A 36 4.492 17.470 -6.129 1.00 12.11 H new ATOM 0 HD22 LEU A 36 4.586 18.206 -7.746 1.00 12.11 H new ATOM 0 HD23 LEU A 36 3.000 17.848 -7.022 1.00 12.11 H new ATOM 593 N PRO A 37 1.584 17.931 -11.034 1.00 1.01 N ATOM 594 CA PRO A 37 1.201 18.349 -12.386 1.00 34.33 C ATOM 595 C PRO A 37 2.136 17.790 -13.452 1.00 43.23 C ATOM 596 O PRO A 37 3.357 17.878 -13.327 1.00 22.25 O ATOM 597 CB PRO A 37 1.305 19.875 -12.328 1.00 61.35 C ATOM 598 CG PRO A 37 2.292 20.147 -11.246 1.00 65.55 C ATOM 599 CD PRO A 37 2.109 19.050 -10.234 1.00 2.12 C ATOM 0 HA PRO A 37 0.210 17.986 -12.660 1.00 34.33 H new ATOM 0 HB2 PRO A 37 1.639 20.285 -13.281 1.00 61.35 H new ATOM 0 HB3 PRO A 37 0.339 20.329 -12.106 1.00 61.35 H new ATOM 0 HG2 PRO A 37 3.309 20.151 -11.638 1.00 65.55 H new ATOM 0 HG3 PRO A 37 2.119 21.125 -10.797 1.00 65.55 H new ATOM 0 HD2 PRO A 37 3.050 18.790 -9.749 1.00 2.12 H new ATOM 0 HD3 PRO A 37 1.414 19.342 -9.447 1.00 2.12 H new ATOM 607 N GLU A 38 1.555 17.217 -14.502 1.00 22.15 N ATOM 608 CA GLU A 38 2.339 16.644 -15.590 1.00 10.14 C ATOM 609 C GLU A 38 1.440 16.249 -16.758 1.00 45.31 C ATOM 610 O GLU A 38 1.543 16.806 -17.850 1.00 43.42 O ATOM 611 CB GLU A 38 3.120 15.424 -15.098 1.00 21.23 C ATOM 612 CG GLU A 38 4.334 15.094 -15.950 1.00 71.10 C ATOM 613 CD GLU A 38 5.279 14.123 -15.269 1.00 34.12 C ATOM 614 OE1 GLU A 38 4.793 13.117 -14.711 1.00 21.42 O ATOM 615 OE2 GLU A 38 6.503 14.369 -15.293 1.00 55.04 O ATOM 0 H GLU A 38 0.545 17.137 -14.622 1.00 22.15 H new ATOM 0 HA GLU A 38 3.043 17.402 -15.935 1.00 10.14 H new ATOM 0 HB2 GLU A 38 3.444 15.600 -14.072 1.00 21.23 H new ATOM 0 HB3 GLU A 38 2.455 14.561 -15.079 1.00 21.23 H new ATOM 0 HG2 GLU A 38 4.003 14.669 -16.898 1.00 71.10 H new ATOM 0 HG3 GLU A 38 4.870 16.014 -16.183 1.00 71.10 H new ATOM 622 N GLY A 39 0.559 15.283 -16.519 1.00 61.23 N ATOM 623 CA GLY A 39 -0.344 14.829 -17.560 1.00 73.24 C ATOM 624 C GLY A 39 -0.320 13.323 -17.733 1.00 44.14 C ATOM 625 O GLY A 39 -1.002 12.780 -18.602 1.00 35.13 O ATOM 0 H GLY A 39 0.454 14.807 -15.623 1.00 61.23 H new ATOM 0 HA2 GLY A 39 -1.359 15.148 -17.321 1.00 73.24 H new ATOM 0 HA3 GLY A 39 -0.074 15.304 -18.503 1.00 73.24 H new ATOM 629 N SER A 40 0.471 12.647 -16.906 1.00 35.32 N ATOM 630 CA SER A 40 0.586 11.195 -16.975 1.00 32.32 C ATOM 631 C SER A 40 0.551 10.580 -15.579 1.00 2.01 C ATOM 632 O SER A 40 1.520 10.670 -14.825 1.00 2.13 O ATOM 633 CB SER A 40 1.880 10.798 -17.687 1.00 44.01 C ATOM 634 OG SER A 40 2.996 11.471 -17.130 1.00 30.13 O ATOM 0 H SER A 40 1.042 13.081 -16.181 1.00 35.32 H new ATOM 0 HA SER A 40 -0.264 10.815 -17.542 1.00 32.32 H new ATOM 0 HB2 SER A 40 2.025 9.721 -17.610 1.00 44.01 H new ATOM 0 HB3 SER A 40 1.802 11.034 -18.748 1.00 44.01 H new ATOM 0 HG SER A 40 2.945 11.434 -16.152 1.00 30.13 H new ATOM 640 N ASP A 41 -0.572 9.955 -15.242 1.00 42.52 N ATOM 641 CA ASP A 41 -0.734 9.324 -13.938 1.00 11.23 C ATOM 642 C ASP A 41 -0.674 7.805 -14.058 1.00 24.31 C ATOM 643 O ASP A 41 -0.259 7.114 -13.127 1.00 61.21 O ATOM 644 CB ASP A 41 -2.061 9.746 -13.305 1.00 33.30 C ATOM 645 CG ASP A 41 -1.912 10.124 -11.845 1.00 11.15 C ATOM 646 OD1 ASP A 41 -1.065 10.989 -11.539 1.00 2.50 O ATOM 647 OD2 ASP A 41 -2.643 9.556 -11.007 1.00 72.51 O ATOM 0 H ASP A 41 -1.384 9.872 -15.854 1.00 42.52 H new ATOM 0 HA ASP A 41 0.085 9.652 -13.299 1.00 11.23 H new ATOM 0 HB2 ASP A 41 -2.470 10.593 -13.856 1.00 33.30 H new ATOM 0 HB3 ASP A 41 -2.779 8.930 -13.395 1.00 33.30 H new ATOM 652 N VAL A 42 -1.091 7.290 -15.210 1.00 40.23 N ATOM 653 CA VAL A 42 -1.084 5.852 -15.453 1.00 14.53 C ATOM 654 C VAL A 42 -0.212 5.501 -16.653 1.00 11.52 C ATOM 655 O VAL A 42 -0.236 6.190 -17.673 1.00 13.12 O ATOM 656 CB VAL A 42 -2.508 5.317 -15.693 1.00 15.21 C ATOM 657 CG1 VAL A 42 -2.495 3.801 -15.819 1.00 12.41 C ATOM 658 CG2 VAL A 42 -3.439 5.759 -14.574 1.00 12.32 C ATOM 0 H VAL A 42 -1.438 7.847 -15.990 1.00 40.23 H new ATOM 0 HA VAL A 42 -0.673 5.382 -14.560 1.00 14.53 H new ATOM 0 HB VAL A 42 -2.880 5.732 -16.630 1.00 15.21 H new ATOM 0 HG11 VAL A 42 -3.510 3.441 -15.988 1.00 12.41 H new ATOM 0 HG12 VAL A 42 -1.863 3.511 -16.658 1.00 12.41 H new ATOM 0 HG13 VAL A 42 -2.103 3.363 -14.901 1.00 12.41 H new ATOM 0 HG21 VAL A 42 -4.441 5.372 -14.760 1.00 12.32 H new ATOM 0 HG22 VAL A 42 -3.072 5.374 -13.622 1.00 12.32 H new ATOM 0 HG23 VAL A 42 -3.472 6.848 -14.537 1.00 12.32 H new ATOM 668 N TRP A 43 0.557 4.426 -16.524 1.00 14.32 N ATOM 669 CA TRP A 43 1.437 3.983 -17.599 1.00 1.12 C ATOM 670 C TRP A 43 1.100 2.559 -18.026 1.00 62.21 C ATOM 671 O TRP A 43 1.353 1.604 -17.292 1.00 22.33 O ATOM 672 CB TRP A 43 2.899 4.063 -17.155 1.00 15.34 C ATOM 673 CG TRP A 43 3.794 4.702 -18.172 1.00 44.32 C ATOM 674 CD1 TRP A 43 3.646 4.671 -19.529 1.00 64.25 C ATOM 675 CD2 TRP A 43 4.977 5.466 -17.913 1.00 64.02 C ATOM 676 NE1 TRP A 43 4.666 5.369 -20.130 1.00 23.11 N ATOM 677 CE2 TRP A 43 5.496 5.867 -19.160 1.00 55.22 C ATOM 678 CE3 TRP A 43 5.648 5.852 -16.750 1.00 23.33 C ATOM 679 CZ2 TRP A 43 6.653 6.633 -19.273 1.00 53.15 C ATOM 680 CZ3 TRP A 43 6.797 6.612 -16.864 1.00 32.42 C ATOM 681 CH2 TRP A 43 7.289 6.996 -18.118 1.00 3.51 C ATOM 0 H TRP A 43 0.589 3.845 -15.686 1.00 14.32 H new ATOM 0 HA TRP A 43 1.287 4.644 -18.453 1.00 1.12 H new ATOM 0 HB2 TRP A 43 2.958 4.627 -16.224 1.00 15.34 H new ATOM 0 HB3 TRP A 43 3.262 3.058 -16.942 1.00 15.34 H new ATOM 0 HD1 TRP A 43 2.845 4.171 -20.053 1.00 64.25 H new ATOM 0 HE1 TRP A 43 4.786 5.496 -21.135 1.00 23.11 H new ATOM 0 HE3 TRP A 43 5.275 5.562 -15.779 1.00 23.33 H new ATOM 0 HZ2 TRP A 43 7.035 6.930 -20.239 1.00 53.15 H new ATOM 0 HZ3 TRP A 43 7.324 6.915 -15.971 1.00 32.42 H new ATOM 0 HH2 TRP A 43 8.189 7.591 -18.174 1.00 3.51 H new ATOM 692 N VAL A 44 0.528 2.423 -19.218 1.00 60.32 N ATOM 693 CA VAL A 44 0.158 1.114 -19.744 1.00 32.05 C ATOM 694 C VAL A 44 1.225 0.581 -20.693 1.00 30.23 C ATOM 695 O VAL A 44 1.501 1.181 -21.732 1.00 62.44 O ATOM 696 CB VAL A 44 -1.192 1.168 -20.484 1.00 63.20 C ATOM 697 CG1 VAL A 44 -1.540 -0.197 -21.059 1.00 15.34 C ATOM 698 CG2 VAL A 44 -2.290 1.660 -19.554 1.00 11.31 C ATOM 0 H VAL A 44 0.311 3.203 -19.838 1.00 60.32 H new ATOM 0 HA VAL A 44 0.069 0.443 -18.890 1.00 32.05 H new ATOM 0 HB VAL A 44 -1.106 1.873 -21.311 1.00 63.20 H new ATOM 0 HG11 VAL A 44 -2.497 -0.140 -21.578 1.00 15.34 H new ATOM 0 HG12 VAL A 44 -0.764 -0.505 -21.760 1.00 15.34 H new ATOM 0 HG13 VAL A 44 -1.609 -0.925 -20.251 1.00 15.34 H new ATOM 0 HG21 VAL A 44 -3.237 1.692 -20.093 1.00 11.31 H new ATOM 0 HG22 VAL A 44 -2.379 0.982 -18.705 1.00 11.31 H new ATOM 0 HG23 VAL A 44 -2.043 2.659 -19.196 1.00 11.31 H new ATOM 708 N CYS A 45 1.821 -0.549 -20.329 1.00 2.02 N ATOM 709 CA CYS A 45 2.859 -1.164 -21.148 1.00 45.03 C ATOM 710 C CYS A 45 2.282 -2.285 -22.006 1.00 61.11 C ATOM 711 O CYS A 45 2.106 -3.411 -21.538 1.00 1.40 O ATOM 712 CB CYS A 45 3.981 -1.709 -20.263 1.00 1.22 C ATOM 713 SG CYS A 45 5.243 -2.642 -21.161 1.00 1.13 S ATOM 0 H CYS A 45 1.603 -1.058 -19.472 1.00 2.02 H new ATOM 0 HA CYS A 45 3.267 -0.399 -21.808 1.00 45.03 H new ATOM 0 HB2 CYS A 45 4.459 -0.876 -19.747 1.00 1.22 H new ATOM 0 HB3 CYS A 45 3.546 -2.351 -19.497 1.00 1.22 H new ATOM 0 HG CYS A 45 6.149 -3.060 -20.328 1.00 1.13 H new ATOM 719 N CYS A 46 1.988 -1.970 -23.263 1.00 0.25 N ATOM 720 CA CYS A 46 1.428 -2.950 -24.186 1.00 33.22 C ATOM 721 C CYS A 46 2.507 -3.905 -24.685 1.00 73.52 C ATOM 722 O CYS A 46 3.692 -3.720 -24.407 1.00 63.21 O ATOM 723 CB CYS A 46 0.765 -2.246 -25.370 1.00 42.54 C ATOM 724 SG CYS A 46 -0.646 -1.209 -24.918 1.00 23.11 S ATOM 0 H CYS A 46 2.128 -1.043 -23.666 1.00 0.25 H new ATOM 0 HA CYS A 46 0.676 -3.529 -23.650 1.00 33.22 H new ATOM 0 HB2 CYS A 46 1.509 -1.629 -25.875 1.00 42.54 H new ATOM 0 HB3 CYS A 46 0.435 -2.998 -26.087 1.00 42.54 H new ATOM 0 HG CYS A 46 -1.137 -0.655 -25.987 1.00 23.11 H new ATOM 730 N LEU A 47 2.089 -4.928 -25.423 1.00 34.35 N ATOM 731 CA LEU A 47 3.019 -5.915 -25.960 1.00 41.11 C ATOM 732 C LEU A 47 3.923 -5.291 -27.019 1.00 11.25 C ATOM 733 O LEU A 47 3.607 -4.257 -27.608 1.00 65.34 O ATOM 734 CB LEU A 47 2.252 -7.095 -26.559 1.00 41.14 C ATOM 735 CG LEU A 47 2.013 -7.043 -28.069 1.00 1.02 C ATOM 736 CD1 LEU A 47 1.290 -8.296 -28.538 1.00 51.21 C ATOM 737 CD2 LEU A 47 1.222 -5.797 -28.441 1.00 62.31 C ATOM 0 H LEU A 47 1.112 -5.095 -25.663 1.00 34.35 H new ATOM 0 HA LEU A 47 3.643 -6.274 -25.141 1.00 41.11 H new ATOM 0 HB2 LEU A 47 2.796 -8.011 -26.329 1.00 41.14 H new ATOM 0 HB3 LEU A 47 1.285 -7.165 -26.060 1.00 41.14 H new ATOM 0 HG LEU A 47 2.980 -6.998 -28.570 1.00 1.02 H new ATOM 0 HD11 LEU A 47 1.129 -8.241 -29.615 1.00 51.21 H new ATOM 0 HD12 LEU A 47 1.894 -9.173 -28.306 1.00 51.21 H new ATOM 0 HD13 LEU A 47 0.328 -8.373 -28.030 1.00 51.21 H new ATOM 0 HD21 LEU A 47 1.061 -5.776 -29.519 1.00 62.31 H new ATOM 0 HD22 LEU A 47 0.259 -5.812 -27.931 1.00 62.31 H new ATOM 0 HD23 LEU A 47 1.779 -4.909 -28.140 1.00 62.31 H new ATOM 749 N PRO A 48 5.074 -5.933 -27.268 1.00 32.23 N ATOM 750 CA PRO A 48 6.046 -5.461 -28.258 1.00 53.31 C ATOM 751 C PRO A 48 5.537 -5.613 -29.688 1.00 24.14 C ATOM 752 O PRO A 48 5.435 -6.726 -30.205 1.00 3.42 O ATOM 753 CB PRO A 48 7.259 -6.364 -28.023 1.00 2.41 C ATOM 754 CG PRO A 48 6.697 -7.606 -27.423 1.00 54.22 C ATOM 755 CD PRO A 48 5.514 -7.171 -26.602 1.00 45.41 C ATOM 0 HA PRO A 48 6.261 -4.398 -28.144 1.00 53.31 H new ATOM 0 HB2 PRO A 48 7.781 -6.576 -28.956 1.00 2.41 H new ATOM 0 HB3 PRO A 48 7.980 -5.893 -27.355 1.00 2.41 H new ATOM 0 HG2 PRO A 48 6.396 -8.312 -28.197 1.00 54.22 H new ATOM 0 HG3 PRO A 48 7.438 -8.110 -26.803 1.00 54.22 H new ATOM 0 HD2 PRO A 48 4.728 -7.926 -26.598 1.00 45.41 H new ATOM 0 HD3 PRO A 48 5.790 -6.992 -25.563 1.00 45.41 H new ATOM 763 N ARG A 49 5.221 -4.489 -30.321 1.00 54.41 N ATOM 764 CA ARG A 49 4.722 -4.498 -31.691 1.00 41.11 C ATOM 765 C ARG A 49 4.934 -3.141 -32.356 1.00 64.02 C ATOM 766 O ARG A 49 5.188 -3.061 -33.558 1.00 51.42 O ATOM 767 CB ARG A 49 3.236 -4.862 -31.713 1.00 45.15 C ATOM 768 CG ARG A 49 2.334 -3.770 -31.163 1.00 55.03 C ATOM 769 CD ARG A 49 1.812 -2.868 -32.271 1.00 10.22 C ATOM 770 NE ARG A 49 0.403 -2.531 -32.085 1.00 20.52 N ATOM 771 CZ ARG A 49 -0.596 -3.347 -32.404 1.00 24.45 C ATOM 772 NH1 ARG A 49 -0.341 -4.541 -32.921 1.00 31.42 N ATOM 773 NH2 ARG A 49 -1.852 -2.970 -32.204 1.00 41.34 N ATOM 0 H ARG A 49 5.301 -3.560 -29.907 1.00 54.41 H new ATOM 0 HA ARG A 49 5.281 -5.248 -32.250 1.00 41.11 H new ATOM 0 HB2 ARG A 49 2.940 -5.084 -32.738 1.00 45.15 H new ATOM 0 HB3 ARG A 49 3.085 -5.773 -31.133 1.00 45.15 H new ATOM 0 HG2 ARG A 49 1.495 -4.222 -30.634 1.00 55.03 H new ATOM 0 HG3 ARG A 49 2.885 -3.173 -30.436 1.00 55.03 H new ATOM 0 HD2 ARG A 49 2.403 -1.952 -32.301 1.00 10.22 H new ATOM 0 HD3 ARG A 49 1.942 -3.363 -33.233 1.00 10.22 H new ATOM 0 HE ARG A 49 0.173 -1.620 -31.689 1.00 20.52 H new ATOM 0 HH11 ARG A 49 0.624 -4.835 -33.075 1.00 31.42 H new ATOM 0 HH12 ARG A 49 -1.109 -5.166 -33.165 1.00 31.42 H new ATOM 0 HH21 ARG A 49 -2.052 -2.053 -31.805 1.00 41.34 H new ATOM 0 HH22 ARG A 49 -2.618 -3.597 -32.449 1.00 41.34 H new ATOM 787 N ASP A 50 4.829 -2.078 -31.566 1.00 74.14 N ATOM 788 CA ASP A 50 5.009 -0.724 -32.078 1.00 64.50 C ATOM 789 C ASP A 50 6.291 -0.104 -31.532 1.00 4.24 C ATOM 790 O ASP A 50 6.500 1.105 -31.633 1.00 53.21 O ATOM 791 CB ASP A 50 3.808 0.148 -31.709 1.00 63.32 C ATOM 792 CG ASP A 50 3.086 0.685 -32.929 1.00 63.44 C ATOM 793 OD1 ASP A 50 2.606 1.836 -32.876 1.00 43.52 O ATOM 794 OD2 ASP A 50 3.002 -0.047 -33.938 1.00 1.31 O ATOM 0 H ASP A 50 4.620 -2.128 -30.569 1.00 74.14 H new ATOM 0 HA ASP A 50 5.087 -0.779 -33.164 1.00 64.50 H new ATOM 0 HB2 ASP A 50 3.112 -0.434 -31.105 1.00 63.32 H new ATOM 0 HB3 ASP A 50 4.144 0.982 -31.093 1.00 63.32 H new ATOM 799 N SER A 51 7.147 -0.939 -30.951 1.00 73.32 N ATOM 800 CA SER A 51 8.406 -0.472 -30.384 1.00 42.00 C ATOM 801 C SER A 51 8.162 0.348 -29.121 1.00 22.55 C ATOM 802 O SER A 51 8.445 1.546 -29.079 1.00 71.31 O ATOM 803 CB SER A 51 9.172 0.367 -31.409 1.00 73.45 C ATOM 804 OG SER A 51 10.567 0.320 -31.167 1.00 21.11 O ATOM 0 H SER A 51 6.991 -1.943 -30.861 1.00 73.32 H new ATOM 0 HA SER A 51 9.003 -1.345 -30.121 1.00 42.00 H new ATOM 0 HB2 SER A 51 8.962 0.000 -32.414 1.00 73.45 H new ATOM 0 HB3 SER A 51 8.827 1.400 -31.368 1.00 73.45 H new ATOM 0 HG SER A 51 11.034 0.863 -31.836 1.00 21.11 H new ATOM 810 N LEU A 52 7.635 -0.307 -28.091 1.00 42.35 N ATOM 811 CA LEU A 52 7.352 0.360 -26.825 1.00 22.30 C ATOM 812 C LEU A 52 6.270 1.420 -26.998 1.00 14.22 C ATOM 813 O LEU A 52 6.560 2.615 -27.068 1.00 22.14 O ATOM 814 CB LEU A 52 8.625 1.000 -26.267 1.00 73.33 C ATOM 815 CG LEU A 52 9.294 0.262 -25.107 1.00 42.13 C ATOM 816 CD1 LEU A 52 8.325 0.101 -23.947 1.00 13.04 C ATOM 817 CD2 LEU A 52 9.811 -1.094 -25.565 1.00 21.01 C ATOM 0 H LEU A 52 7.395 -1.298 -28.108 1.00 42.35 H new ATOM 0 HA LEU A 52 6.991 -0.389 -26.121 1.00 22.30 H new ATOM 0 HB2 LEU A 52 9.347 1.091 -27.078 1.00 73.33 H new ATOM 0 HB3 LEU A 52 8.385 2.011 -25.938 1.00 73.33 H new ATOM 0 HG LEU A 52 10.142 0.855 -24.765 1.00 42.13 H new ATOM 0 HD11 LEU A 52 8.819 -0.426 -23.131 1.00 13.04 H new ATOM 0 HD12 LEU A 52 8.004 1.084 -23.602 1.00 13.04 H new ATOM 0 HD13 LEU A 52 7.456 -0.470 -24.275 1.00 13.04 H new ATOM 0 HD21 LEU A 52 10.284 -1.605 -24.727 1.00 21.01 H new ATOM 0 HD22 LEU A 52 8.980 -1.695 -25.934 1.00 21.01 H new ATOM 0 HD23 LEU A 52 10.540 -0.955 -26.363 1.00 21.01 H new ATOM 829 N THR A 53 5.018 0.976 -27.064 1.00 62.02 N ATOM 830 CA THR A 53 3.892 1.886 -27.228 1.00 13.15 C ATOM 831 C THR A 53 3.278 2.248 -25.880 1.00 55.01 C ATOM 832 O THR A 53 2.056 2.327 -25.744 1.00 52.02 O ATOM 833 CB THR A 53 2.802 1.275 -28.128 1.00 52.02 C ATOM 834 OG1 THR A 53 3.340 0.176 -28.871 1.00 71.34 O ATOM 835 CG2 THR A 53 2.245 2.317 -29.086 1.00 55.02 C ATOM 0 H THR A 53 4.759 -0.009 -27.006 1.00 62.02 H new ATOM 0 HA THR A 53 4.280 2.787 -27.702 1.00 13.15 H new ATOM 0 HB THR A 53 1.992 0.920 -27.491 1.00 52.02 H new ATOM 0 HG1 THR A 53 2.680 -0.548 -28.908 1.00 71.34 H new ATOM 0 HG21 THR A 53 1.477 1.862 -29.712 1.00 55.02 H new ATOM 0 HG22 THR A 53 1.810 3.139 -28.517 1.00 55.02 H new ATOM 0 HG23 THR A 53 3.048 2.698 -29.717 1.00 55.02 H new ATOM 843 N LEU A 54 4.131 2.468 -24.886 1.00 60.12 N ATOM 844 CA LEU A 54 3.672 2.823 -23.548 1.00 32.22 C ATOM 845 C LEU A 54 2.731 4.022 -23.595 1.00 51.42 C ATOM 846 O LEU A 54 3.096 5.092 -24.083 1.00 63.34 O ATOM 847 CB LEU A 54 4.866 3.132 -22.643 1.00 13.21 C ATOM 848 CG LEU A 54 5.797 1.959 -22.336 1.00 31.23 C ATOM 849 CD1 LEU A 54 7.213 2.453 -22.085 1.00 21.14 C ATOM 850 CD2 LEU A 54 5.285 1.171 -21.139 1.00 32.21 C ATOM 0 H LEU A 54 5.145 2.407 -24.981 1.00 60.12 H new ATOM 0 HA LEU A 54 3.126 1.972 -23.141 1.00 32.22 H new ATOM 0 HB2 LEU A 54 5.453 3.924 -23.108 1.00 13.21 H new ATOM 0 HB3 LEU A 54 4.489 3.527 -21.700 1.00 13.21 H new ATOM 0 HG LEU A 54 5.813 1.297 -23.202 1.00 31.23 H new ATOM 0 HD11 LEU A 54 7.861 1.604 -21.868 1.00 21.14 H new ATOM 0 HD12 LEU A 54 7.579 2.973 -22.970 1.00 21.14 H new ATOM 0 HD13 LEU A 54 7.215 3.137 -21.236 1.00 21.14 H new ATOM 0 HD21 LEU A 54 5.960 0.340 -20.935 1.00 32.21 H new ATOM 0 HD22 LEU A 54 5.238 1.823 -20.267 1.00 32.21 H new ATOM 0 HD23 LEU A 54 4.289 0.785 -21.357 1.00 32.21 H new ATOM 862 N SER A 55 1.518 3.838 -23.083 1.00 24.40 N ATOM 863 CA SER A 55 0.524 4.904 -23.068 1.00 40.13 C ATOM 864 C SER A 55 0.502 5.607 -21.715 1.00 12.54 C ATOM 865 O SER A 55 0.197 4.997 -20.690 1.00 64.25 O ATOM 866 CB SER A 55 -0.863 4.342 -23.386 1.00 63.33 C ATOM 867 OG SER A 55 -1.572 5.200 -24.263 1.00 72.30 O ATOM 0 H SER A 55 1.200 2.960 -22.673 1.00 24.40 H new ATOM 0 HA SER A 55 0.797 5.632 -23.832 1.00 40.13 H new ATOM 0 HB2 SER A 55 -0.764 3.355 -23.839 1.00 63.33 H new ATOM 0 HB3 SER A 55 -1.427 4.214 -22.462 1.00 63.33 H new ATOM 0 HG SER A 55 -2.454 4.818 -24.452 1.00 72.30 H new ATOM 873 N ALA A 56 0.827 6.896 -21.719 1.00 51.10 N ATOM 874 CA ALA A 56 0.843 7.684 -20.493 1.00 13.21 C ATOM 875 C ALA A 56 -0.242 8.755 -20.515 1.00 14.32 C ATOM 876 O ALA A 56 -0.306 9.569 -21.435 1.00 42.35 O ATOM 877 CB ALA A 56 2.210 8.320 -20.292 1.00 24.23 C ATOM 0 H ALA A 56 1.083 7.416 -22.558 1.00 51.10 H new ATOM 0 HA ALA A 56 0.640 7.014 -19.657 1.00 13.21 H new ATOM 0 HB1 ALA A 56 2.207 8.905 -19.373 1.00 24.23 H new ATOM 0 HB2 ALA A 56 2.968 7.540 -20.223 1.00 24.23 H new ATOM 0 HB3 ALA A 56 2.436 8.971 -21.136 1.00 24.23 H new ATOM 883 N ALA A 57 -1.095 8.748 -19.495 1.00 41.33 N ATOM 884 CA ALA A 57 -2.177 9.720 -19.397 1.00 43.23 C ATOM 885 C ALA A 57 -2.610 9.915 -17.948 1.00 42.53 C ATOM 886 O ALA A 57 -2.614 8.972 -17.159 1.00 65.34 O ATOM 887 CB ALA A 57 -3.359 9.282 -20.249 1.00 61.20 C ATOM 0 H ALA A 57 -1.057 8.080 -18.725 1.00 41.33 H new ATOM 0 HA ALA A 57 -1.809 10.676 -19.770 1.00 43.23 H new ATOM 0 HB1 ALA A 57 -4.159 10.017 -20.166 1.00 61.20 H new ATOM 0 HB2 ALA A 57 -3.047 9.201 -21.290 1.00 61.20 H new ATOM 0 HB3 ALA A 57 -3.719 8.313 -19.902 1.00 61.20 H new ATOM 893 N ASN A 58 -2.974 11.147 -17.605 1.00 64.11 N ATOM 894 CA ASN A 58 -3.407 11.466 -16.250 1.00 33.13 C ATOM 895 C ASN A 58 -4.870 11.899 -16.234 1.00 50.45 C ATOM 896 O ASN A 58 -5.203 13.013 -16.641 1.00 25.31 O ATOM 897 CB ASN A 58 -2.530 12.571 -15.658 1.00 51.10 C ATOM 898 CG ASN A 58 -3.050 13.070 -14.324 1.00 13.12 C ATOM 899 OD1 ASN A 58 -3.861 12.409 -13.674 1.00 42.05 O ATOM 900 ND2 ASN A 58 -2.585 14.243 -13.909 1.00 31.43 N ATOM 0 H ASN A 58 -2.978 11.940 -18.247 1.00 64.11 H new ATOM 0 HA ASN A 58 -3.306 10.567 -15.642 1.00 33.13 H new ATOM 0 HB2 ASN A 58 -1.514 12.196 -15.532 1.00 51.10 H new ATOM 0 HB3 ASN A 58 -2.478 13.404 -16.359 1.00 51.10 H new ATOM 0 HD21 ASN A 58 -2.899 14.630 -13.019 1.00 31.43 H new ATOM 0 HD22 ASN A 58 -1.914 14.757 -14.480 1.00 31.43 H new ATOM 907 N SER A 59 -5.740 11.012 -15.762 1.00 63.13 N ATOM 908 CA SER A 59 -7.167 11.301 -15.697 1.00 34.03 C ATOM 909 C SER A 59 -7.696 11.740 -17.059 1.00 1.22 C ATOM 910 O SER A 59 -8.623 12.544 -17.146 1.00 54.02 O ATOM 911 CB SER A 59 -7.442 12.388 -14.656 1.00 1.12 C ATOM 912 OG SER A 59 -7.432 11.852 -13.344 1.00 14.10 O ATOM 0 H SER A 59 -5.481 10.087 -15.419 1.00 63.13 H new ATOM 0 HA SER A 59 -7.684 10.387 -15.404 1.00 34.03 H new ATOM 0 HB2 SER A 59 -6.690 13.173 -14.737 1.00 1.12 H new ATOM 0 HB3 SER A 59 -8.408 12.851 -14.856 1.00 1.12 H new ATOM 0 HG SER A 59 -7.608 12.567 -12.697 1.00 14.10 H new ATOM 918 N GLU A 60 -7.098 11.206 -18.119 1.00 44.00 N ATOM 919 CA GLU A 60 -7.507 11.543 -19.477 1.00 53.52 C ATOM 920 C GLU A 60 -8.024 10.310 -20.212 1.00 31.11 C ATOM 921 O GLU A 60 -8.856 10.414 -21.114 1.00 3.42 O ATOM 922 CB GLU A 60 -6.337 12.157 -20.249 1.00 13.31 C ATOM 923 CG GLU A 60 -6.059 13.605 -19.882 1.00 50.31 C ATOM 924 CD GLU A 60 -4.888 14.187 -20.650 1.00 51.01 C ATOM 925 OE1 GLU A 60 -3.883 13.468 -20.832 1.00 52.25 O ATOM 926 OE2 GLU A 60 -4.976 15.360 -21.068 1.00 52.23 O ATOM 0 H GLU A 60 -6.329 10.538 -18.063 1.00 44.00 H new ATOM 0 HA GLU A 60 -8.314 12.273 -19.415 1.00 53.52 H new ATOM 0 HB2 GLU A 60 -5.440 11.566 -20.064 1.00 13.31 H new ATOM 0 HB3 GLU A 60 -6.545 12.095 -21.317 1.00 13.31 H new ATOM 0 HG2 GLU A 60 -6.949 14.203 -20.077 1.00 50.31 H new ATOM 0 HG3 GLU A 60 -5.857 13.673 -18.813 1.00 50.31 H new ATOM 933 N ASP A 61 -7.525 9.143 -19.820 1.00 31.12 N ATOM 934 CA ASP A 61 -7.936 7.889 -20.440 1.00 21.51 C ATOM 935 C ASP A 61 -9.135 7.289 -19.711 1.00 43.24 C ATOM 936 O ASP A 61 -9.008 6.794 -18.592 1.00 51.01 O ATOM 937 CB ASP A 61 -6.775 6.892 -20.443 1.00 52.42 C ATOM 938 CG ASP A 61 -7.103 5.624 -21.206 1.00 40.12 C ATOM 939 OD1 ASP A 61 -6.908 4.526 -20.644 1.00 30.11 O ATOM 940 OD2 ASP A 61 -7.555 5.730 -22.365 1.00 73.52 O ATOM 0 H ASP A 61 -6.835 9.039 -19.076 1.00 31.12 H new ATOM 0 HA ASP A 61 -8.227 8.100 -21.469 1.00 21.51 H new ATOM 0 HB2 ASP A 61 -5.897 7.362 -20.886 1.00 52.42 H new ATOM 0 HB3 ASP A 61 -6.516 6.637 -19.415 1.00 52.42 H new ATOM 945 N GLU A 62 -10.297 7.339 -20.354 1.00 52.33 N ATOM 946 CA GLU A 62 -11.519 6.803 -19.766 1.00 24.23 C ATOM 947 C GLU A 62 -12.449 6.258 -20.845 1.00 60.55 C ATOM 948 O GLU A 62 -13.660 6.165 -20.648 1.00 62.01 O ATOM 949 CB GLU A 62 -12.238 7.883 -18.955 1.00 41.13 C ATOM 950 CG GLU A 62 -12.543 7.469 -17.526 1.00 15.34 C ATOM 951 CD GLU A 62 -13.781 8.150 -16.973 1.00 61.21 C ATOM 952 OE1 GLU A 62 -13.677 9.324 -16.562 1.00 14.52 O ATOM 953 OE2 GLU A 62 -14.852 7.508 -16.952 1.00 1.33 O ATOM 0 H GLU A 62 -10.418 7.745 -21.282 1.00 52.33 H new ATOM 0 HA GLU A 62 -11.243 5.984 -19.102 1.00 24.23 H new ATOM 0 HB2 GLU A 62 -11.624 8.783 -18.940 1.00 41.13 H new ATOM 0 HB3 GLU A 62 -13.171 8.141 -19.456 1.00 41.13 H new ATOM 0 HG2 GLU A 62 -12.679 6.388 -17.486 1.00 15.34 H new ATOM 0 HG3 GLU A 62 -11.688 7.707 -16.892 1.00 15.34 H new ATOM 960 N GLY A 63 -11.873 5.898 -21.989 1.00 1.23 N ATOM 961 CA GLY A 63 -12.664 5.368 -23.083 1.00 72.54 C ATOM 962 C GLY A 63 -13.246 4.003 -22.770 1.00 43.22 C ATOM 963 O GLY A 63 -14.303 3.901 -22.149 1.00 71.52 O ATOM 0 H GLY A 63 -10.873 5.964 -22.177 1.00 1.23 H new ATOM 0 HA2 GLY A 63 -13.474 6.061 -23.311 1.00 72.54 H new ATOM 0 HA3 GLY A 63 -12.043 5.299 -23.976 1.00 72.54 H new ATOM 967 N GLN A 64 -12.554 2.954 -23.202 1.00 73.54 N ATOM 968 CA GLN A 64 -13.011 1.589 -22.966 1.00 64.01 C ATOM 969 C GLN A 64 -11.877 0.721 -22.430 1.00 61.14 C ATOM 970 O GLN A 64 -10.810 0.631 -23.039 1.00 75.34 O ATOM 971 CB GLN A 64 -13.566 0.984 -24.257 1.00 31.15 C ATOM 972 CG GLN A 64 -15.060 1.200 -24.436 1.00 32.53 C ATOM 973 CD GLN A 64 -15.402 2.625 -24.822 1.00 62.04 C ATOM 974 OE1 GLN A 64 -14.902 3.147 -25.820 1.00 31.35 O ATOM 975 NE2 GLN A 64 -16.258 3.264 -24.033 1.00 62.33 N ATOM 0 H GLN A 64 -11.676 3.022 -23.717 1.00 73.54 H new ATOM 0 HA GLN A 64 -13.804 1.622 -22.219 1.00 64.01 H new ATOM 0 HB2 GLN A 64 -13.040 1.418 -25.107 1.00 31.15 H new ATOM 0 HB3 GLN A 64 -13.358 -0.086 -24.266 1.00 31.15 H new ATOM 0 HG2 GLN A 64 -15.432 0.521 -25.203 1.00 32.53 H new ATOM 0 HG3 GLN A 64 -15.574 0.946 -23.509 1.00 32.53 H new ATOM 0 HE21 GLN A 64 -16.648 2.793 -23.216 1.00 62.33 H new ATOM 0 HE22 GLN A 64 -16.526 4.226 -24.244 1.00 62.33 H new ATOM 984 N ILE A 65 -12.114 0.085 -21.288 1.00 74.23 N ATOM 985 CA ILE A 65 -11.113 -0.776 -20.672 1.00 32.45 C ATOM 986 C ILE A 65 -11.759 -2.003 -20.037 1.00 31.15 C ATOM 987 O ILE A 65 -12.863 -1.926 -19.496 1.00 24.41 O ATOM 988 CB ILE A 65 -10.306 -0.022 -19.599 1.00 24.12 C ATOM 989 CG1 ILE A 65 -9.268 -0.950 -18.964 1.00 64.03 C ATOM 990 CG2 ILE A 65 -11.236 0.545 -18.537 1.00 41.52 C ATOM 991 CD1 ILE A 65 -7.946 -0.272 -18.677 1.00 72.15 C ATOM 0 H ILE A 65 -12.991 0.150 -20.771 1.00 74.23 H new ATOM 0 HA ILE A 65 -10.438 -1.094 -21.467 1.00 32.45 H new ATOM 0 HB ILE A 65 -9.782 0.807 -20.076 1.00 24.12 H new ATOM 0 HG12 ILE A 65 -9.671 -1.350 -18.034 1.00 64.03 H new ATOM 0 HG13 ILE A 65 -9.096 -1.797 -19.628 1.00 64.03 H new ATOM 0 HG21 ILE A 65 -10.650 1.075 -17.786 1.00 41.52 H new ATOM 0 HG22 ILE A 65 -11.940 1.235 -19.001 1.00 41.52 H new ATOM 0 HG23 ILE A 65 -11.785 -0.268 -18.062 1.00 41.52 H new ATOM 0 HD11 ILE A 65 -7.259 -0.989 -18.228 1.00 72.15 H new ATOM 0 HD12 ILE A 65 -7.521 0.104 -19.607 1.00 72.15 H new ATOM 0 HD13 ILE A 65 -8.105 0.558 -17.989 1.00 72.15 H new ATOM 1003 N ARG A 66 -11.063 -3.133 -20.104 1.00 73.43 N ATOM 1004 CA ARG A 66 -11.569 -4.377 -19.535 1.00 43.14 C ATOM 1005 C ARG A 66 -10.486 -5.084 -18.725 1.00 41.32 C ATOM 1006 O ARG A 66 -9.340 -5.193 -19.163 1.00 75.13 O ATOM 1007 CB ARG A 66 -12.076 -5.301 -20.644 1.00 42.12 C ATOM 1008 CG ARG A 66 -13.324 -6.080 -20.264 1.00 72.21 C ATOM 1009 CD ARG A 66 -14.524 -5.161 -20.093 1.00 61.52 C ATOM 1010 NE ARG A 66 -15.666 -5.599 -20.891 1.00 53.21 N ATOM 1011 CZ ARG A 66 -16.408 -6.660 -20.593 1.00 65.13 C ATOM 1012 NH1 ARG A 66 -16.128 -7.388 -19.521 1.00 71.31 N ATOM 1013 NH2 ARG A 66 -17.431 -6.995 -21.368 1.00 53.54 N ATOM 0 H ARG A 66 -10.147 -3.213 -20.546 1.00 73.43 H new ATOM 0 HA ARG A 66 -12.396 -4.133 -18.869 1.00 43.14 H new ATOM 0 HB2 ARG A 66 -12.286 -4.706 -21.533 1.00 42.12 H new ATOM 0 HB3 ARG A 66 -11.286 -6.004 -20.909 1.00 42.12 H new ATOM 0 HG2 ARG A 66 -13.539 -6.822 -21.033 1.00 72.21 H new ATOM 0 HG3 ARG A 66 -13.146 -6.624 -19.337 1.00 72.21 H new ATOM 0 HD2 ARG A 66 -14.808 -5.127 -19.041 1.00 61.52 H new ATOM 0 HD3 ARG A 66 -14.248 -4.147 -20.381 1.00 61.52 H new ATOM 0 HE ARG A 66 -15.907 -5.061 -21.723 1.00 53.21 H new ATOM 0 HH11 ARG A 66 -15.342 -7.134 -18.923 1.00 71.31 H new ATOM 0 HH12 ARG A 66 -16.699 -8.202 -19.294 1.00 71.31 H new ATOM 0 HH21 ARG A 66 -17.649 -6.438 -22.194 1.00 53.54 H new ATOM 0 HH22 ARG A 66 -18.000 -7.810 -21.138 1.00 53.54 H new ATOM 1027 N TYR A 67 -10.856 -5.561 -17.542 1.00 53.32 N ATOM 1028 CA TYR A 67 -9.916 -6.254 -16.669 1.00 74.14 C ATOM 1029 C TYR A 67 -9.605 -7.649 -17.203 1.00 44.12 C ATOM 1030 O TYR A 67 -10.509 -8.432 -17.493 1.00 73.12 O ATOM 1031 CB TYR A 67 -10.482 -6.353 -15.252 1.00 34.23 C ATOM 1032 CG TYR A 67 -11.063 -5.054 -14.739 1.00 64.42 C ATOM 1033 CD1 TYR A 67 -12.404 -4.960 -14.390 1.00 32.42 C ATOM 1034 CD2 TYR A 67 -10.270 -3.921 -14.605 1.00 61.33 C ATOM 1035 CE1 TYR A 67 -12.939 -3.776 -13.922 1.00 10.33 C ATOM 1036 CE2 TYR A 67 -10.796 -2.733 -14.137 1.00 22.03 C ATOM 1037 CZ TYR A 67 -12.131 -2.665 -13.797 1.00 23.15 C ATOM 1038 OH TYR A 67 -12.659 -1.483 -13.331 1.00 3.23 O ATOM 0 H TYR A 67 -11.800 -5.480 -17.165 1.00 53.32 H new ATOM 0 HA TYR A 67 -8.990 -5.679 -16.644 1.00 74.14 H new ATOM 0 HB2 TYR A 67 -11.256 -7.120 -15.232 1.00 34.23 H new ATOM 0 HB3 TYR A 67 -9.692 -6.680 -14.576 1.00 34.23 H new ATOM 0 HD1 TYR A 67 -13.039 -5.828 -14.486 1.00 32.42 H new ATOM 0 HD2 TYR A 67 -9.225 -3.970 -14.871 1.00 61.33 H new ATOM 0 HE1 TYR A 67 -13.984 -3.720 -13.655 1.00 10.33 H new ATOM 0 HE2 TYR A 67 -10.165 -1.862 -14.038 1.00 22.03 H new ATOM 0 HH TYR A 67 -11.957 -0.800 -13.302 1.00 3.23 H new ATOM 1048 N PHE A 68 -8.317 -7.953 -17.330 1.00 11.44 N ATOM 1049 CA PHE A 68 -7.884 -9.252 -17.829 1.00 24.54 C ATOM 1050 C PHE A 68 -7.164 -10.041 -16.738 1.00 72.34 C ATOM 1051 O PHE A 68 -6.436 -9.473 -15.923 1.00 70.51 O ATOM 1052 CB PHE A 68 -6.964 -9.077 -19.038 1.00 65.15 C ATOM 1053 CG PHE A 68 -6.473 -10.376 -19.612 1.00 4.24 C ATOM 1054 CD1 PHE A 68 -7.229 -11.067 -20.544 1.00 52.33 C ATOM 1055 CD2 PHE A 68 -5.255 -10.906 -19.217 1.00 42.10 C ATOM 1056 CE1 PHE A 68 -6.780 -12.262 -21.074 1.00 12.11 C ATOM 1057 CE2 PHE A 68 -4.801 -12.100 -19.743 1.00 65.34 C ATOM 1058 CZ PHE A 68 -5.565 -12.780 -20.672 1.00 44.21 C ATOM 0 H PHE A 68 -7.555 -7.317 -17.094 1.00 11.44 H new ATOM 0 HA PHE A 68 -8.770 -9.810 -18.133 1.00 24.54 H new ATOM 0 HB2 PHE A 68 -7.496 -8.525 -19.813 1.00 65.15 H new ATOM 0 HB3 PHE A 68 -6.106 -8.471 -18.747 1.00 65.15 H new ATOM 0 HD1 PHE A 68 -8.181 -10.667 -20.861 1.00 52.33 H new ATOM 0 HD2 PHE A 68 -4.654 -10.380 -18.490 1.00 42.10 H new ATOM 0 HE1 PHE A 68 -7.379 -12.790 -21.802 1.00 12.11 H new ATOM 0 HE2 PHE A 68 -3.849 -12.502 -19.428 1.00 65.34 H new ATOM 0 HZ PHE A 68 -5.213 -13.715 -21.083 1.00 44.21 H new ATOM 1068 N LEU A 69 -7.374 -11.353 -16.730 1.00 24.02 N ATOM 1069 CA LEU A 69 -6.746 -12.222 -15.740 1.00 11.41 C ATOM 1070 C LEU A 69 -7.136 -13.678 -15.968 1.00 61.45 C ATOM 1071 O LEU A 69 -6.293 -14.540 -16.221 1.00 12.22 O ATOM 1072 CB LEU A 69 -7.146 -11.790 -14.328 1.00 23.33 C ATOM 1073 CG LEU A 69 -6.021 -11.237 -13.451 1.00 75.04 C ATOM 1074 CD1 LEU A 69 -6.593 -10.429 -12.297 1.00 31.45 C ATOM 1075 CD2 LEU A 69 -5.145 -12.367 -12.932 1.00 22.21 C ATOM 0 H LEU A 69 -7.974 -11.838 -17.397 1.00 24.02 H new ATOM 0 HA LEU A 69 -5.665 -12.134 -15.848 1.00 11.41 H new ATOM 0 HB2 LEU A 69 -7.924 -11.030 -14.409 1.00 23.33 H new ATOM 0 HB3 LEU A 69 -7.589 -12.646 -13.819 1.00 23.33 H new ATOM 0 HG LEU A 69 -5.403 -10.576 -14.059 1.00 75.04 H new ATOM 0 HD11 LEU A 69 -5.778 -10.043 -11.684 1.00 31.45 H new ATOM 0 HD12 LEU A 69 -7.177 -9.597 -12.690 1.00 31.45 H new ATOM 0 HD13 LEU A 69 -7.234 -11.067 -11.689 1.00 31.45 H new ATOM 0 HD21 LEU A 69 -4.350 -11.955 -12.310 1.00 22.21 H new ATOM 0 HD22 LEU A 69 -5.750 -13.054 -12.340 1.00 22.21 H new ATOM 0 HD23 LEU A 69 -4.706 -12.903 -13.774 1.00 22.21 H new ATOM 1087 N PRO A 70 -8.444 -13.962 -15.881 1.00 21.03 N ATOM 1088 CA PRO A 70 -8.976 -15.314 -16.077 1.00 43.24 C ATOM 1089 C PRO A 70 -8.874 -15.771 -17.528 1.00 61.44 C ATOM 1090 O PRO A 70 -9.129 -16.934 -17.842 1.00 22.32 O ATOM 1091 CB PRO A 70 -10.443 -15.182 -15.660 1.00 25.11 C ATOM 1092 CG PRO A 70 -10.769 -13.744 -15.873 1.00 34.40 C ATOM 1093 CD PRO A 70 -9.504 -12.985 -15.583 1.00 55.21 C ATOM 0 HA PRO A 70 -8.421 -16.058 -15.505 1.00 43.24 H new ATOM 0 HB2 PRO A 70 -11.085 -15.827 -16.260 1.00 25.11 H new ATOM 0 HB3 PRO A 70 -10.586 -15.470 -14.619 1.00 25.11 H new ATOM 0 HG2 PRO A 70 -11.105 -13.567 -16.895 1.00 34.40 H new ATOM 0 HG3 PRO A 70 -11.576 -13.425 -15.213 1.00 34.40 H new ATOM 0 HD2 PRO A 70 -9.417 -12.095 -16.207 1.00 55.21 H new ATOM 0 HD3 PRO A 70 -9.464 -12.652 -14.546 1.00 55.21 H new ATOM 1101 N ASP A 71 -8.500 -14.850 -18.409 1.00 64.23 N ATOM 1102 CA ASP A 71 -8.362 -15.160 -19.828 1.00 14.22 C ATOM 1103 C ASP A 71 -9.564 -15.956 -20.329 1.00 5.21 C ATOM 1104 O ASP A 71 -9.429 -16.827 -21.189 1.00 4.54 O ATOM 1105 CB ASP A 71 -7.074 -15.945 -20.078 1.00 31.20 C ATOM 1106 CG ASP A 71 -7.112 -17.330 -19.463 1.00 62.51 C ATOM 1107 OD1 ASP A 71 -6.657 -17.481 -18.309 1.00 54.54 O ATOM 1108 OD2 ASP A 71 -7.597 -18.264 -20.135 1.00 63.42 O ATOM 0 H ASP A 71 -8.287 -13.883 -18.166 1.00 64.23 H new ATOM 0 HA ASP A 71 -8.317 -14.220 -20.378 1.00 14.22 H new ATOM 0 HB2 ASP A 71 -6.907 -16.032 -21.152 1.00 31.20 H new ATOM 0 HB3 ASP A 71 -6.229 -15.392 -19.668 1.00 31.20 H new ATOM 1113 N ARG A 72 -10.737 -15.652 -19.785 1.00 12.43 N ATOM 1114 CA ARG A 72 -11.962 -16.340 -20.175 1.00 24.12 C ATOM 1115 C ARG A 72 -13.086 -15.343 -20.438 1.00 11.21 C ATOM 1116 O ARG A 72 -14.266 -15.685 -20.351 1.00 4.44 O ATOM 1117 CB ARG A 72 -12.386 -17.328 -19.086 1.00 43.41 C ATOM 1118 CG ARG A 72 -13.071 -16.669 -17.900 1.00 23.02 C ATOM 1119 CD ARG A 72 -13.150 -17.611 -16.709 1.00 33.31 C ATOM 1120 NE ARG A 72 -11.838 -18.132 -16.334 1.00 52.21 N ATOM 1121 CZ ARG A 72 -11.661 -19.123 -15.468 1.00 61.21 C ATOM 1122 NH1 ARG A 72 -12.707 -19.699 -14.891 1.00 4.42 N ATOM 1123 NH2 ARG A 72 -10.435 -19.541 -15.178 1.00 74.43 N ATOM 0 H ARG A 72 -10.865 -14.934 -19.072 1.00 12.43 H new ATOM 0 HA ARG A 72 -11.763 -16.888 -21.096 1.00 24.12 H new ATOM 0 HB2 ARG A 72 -13.060 -18.067 -19.520 1.00 43.41 H new ATOM 0 HB3 ARG A 72 -11.507 -17.867 -18.734 1.00 43.41 H new ATOM 0 HG2 ARG A 72 -12.526 -15.768 -17.618 1.00 23.02 H new ATOM 0 HG3 ARG A 72 -14.075 -16.357 -18.186 1.00 23.02 H new ATOM 0 HD2 ARG A 72 -13.587 -17.086 -15.860 1.00 33.31 H new ATOM 0 HD3 ARG A 72 -13.815 -18.441 -16.947 1.00 33.31 H new ATOM 0 HE ARG A 72 -11.012 -17.712 -16.761 1.00 52.21 H new ATOM 0 HH11 ARG A 72 -13.651 -19.381 -15.112 1.00 4.42 H new ATOM 0 HH12 ARG A 72 -12.568 -20.460 -14.226 1.00 4.42 H new ATOM 0 HH21 ARG A 72 -9.628 -19.101 -15.620 1.00 74.43 H new ATOM 0 HH22 ARG A 72 -10.300 -20.302 -14.513 1.00 74.43 H new ATOM 1137 N ASP A 73 -12.712 -14.109 -20.760 1.00 33.34 N ATOM 1138 CA ASP A 73 -13.689 -13.062 -21.036 1.00 21.01 C ATOM 1139 C ASP A 73 -13.962 -12.955 -22.533 1.00 32.21 C ATOM 1140 O ASP A 73 -14.207 -11.867 -23.052 1.00 45.23 O ATOM 1141 CB ASP A 73 -13.194 -11.719 -20.498 1.00 43.42 C ATOM 1142 CG ASP A 73 -14.282 -10.663 -20.486 1.00 61.11 C ATOM 1143 OD1 ASP A 73 -13.944 -9.463 -20.408 1.00 73.13 O ATOM 1144 OD2 ASP A 73 -15.471 -11.037 -20.555 1.00 72.13 O ATOM 0 H ASP A 73 -11.740 -13.810 -20.836 1.00 33.34 H new ATOM 0 HA ASP A 73 -14.620 -13.325 -20.533 1.00 21.01 H new ATOM 0 HB2 ASP A 73 -12.812 -11.855 -19.486 1.00 43.42 H new ATOM 0 HB3 ASP A 73 -12.361 -11.371 -21.109 1.00 43.42 H new ATOM 1149 N GLU A 74 -13.918 -14.092 -23.220 1.00 62.31 N ATOM 1150 CA GLU A 74 -14.159 -14.125 -24.658 1.00 21.11 C ATOM 1151 C GLU A 74 -13.154 -13.247 -25.398 1.00 61.22 C ATOM 1152 O GLU A 74 -13.516 -12.503 -26.308 1.00 44.24 O ATOM 1153 CB GLU A 74 -15.584 -13.662 -24.969 1.00 63.22 C ATOM 1154 CG GLU A 74 -16.657 -14.502 -24.298 1.00 30.23 C ATOM 1155 CD GLU A 74 -17.968 -14.492 -25.060 1.00 0.54 C ATOM 1156 OE1 GLU A 74 -19.033 -14.496 -24.407 1.00 22.41 O ATOM 1157 OE2 GLU A 74 -17.929 -14.479 -26.308 1.00 15.54 O ATOM 0 H GLU A 74 -13.718 -15.002 -22.805 1.00 62.31 H new ATOM 0 HA GLU A 74 -14.036 -15.153 -24.998 1.00 21.11 H new ATOM 0 HB2 GLU A 74 -15.697 -12.625 -24.654 1.00 63.22 H new ATOM 0 HB3 GLU A 74 -15.737 -13.686 -26.048 1.00 63.22 H new ATOM 0 HG2 GLU A 74 -16.303 -15.529 -24.204 1.00 30.23 H new ATOM 0 HG3 GLU A 74 -16.826 -14.130 -23.288 1.00 30.23 H new ATOM 1164 N GLY A 75 -11.889 -13.340 -25.000 1.00 22.45 N ATOM 1165 CA GLY A 75 -10.851 -12.549 -25.634 1.00 62.54 C ATOM 1166 C GLY A 75 -9.550 -13.314 -25.786 1.00 15.44 C ATOM 1167 O GLY A 75 -8.856 -13.176 -26.792 1.00 5.12 O ATOM 0 H GLY A 75 -11.565 -13.950 -24.249 1.00 22.45 H new ATOM 0 HA2 GLY A 75 -11.195 -12.224 -26.616 1.00 62.54 H new ATOM 0 HA3 GLY A 75 -10.673 -11.649 -25.045 1.00 62.54 H new ATOM 1171 N MET A 76 -9.220 -14.120 -24.782 1.00 61.35 N ATOM 1172 CA MET A 76 -7.993 -14.909 -24.809 1.00 14.32 C ATOM 1173 C MET A 76 -7.879 -15.693 -26.112 1.00 34.51 C ATOM 1174 O MET A 76 -6.778 -15.952 -26.597 1.00 54.11 O ATOM 1175 CB MET A 76 -7.952 -15.867 -23.617 1.00 74.42 C ATOM 1176 CG MET A 76 -6.762 -16.813 -23.638 1.00 51.44 C ATOM 1177 SD MET A 76 -5.184 -15.941 -23.675 1.00 21.43 S ATOM 1178 CE MET A 76 -4.040 -17.317 -23.768 1.00 51.44 C ATOM 0 H MET A 76 -9.784 -14.244 -23.941 1.00 61.35 H new ATOM 0 HA MET A 76 -7.148 -14.224 -24.744 1.00 14.32 H new ATOM 0 HB2 MET A 76 -7.928 -15.286 -22.695 1.00 74.42 H new ATOM 0 HB3 MET A 76 -8.871 -16.453 -23.600 1.00 74.42 H new ATOM 0 HG2 MET A 76 -6.797 -17.455 -22.758 1.00 51.44 H new ATOM 0 HG3 MET A 76 -6.834 -17.463 -24.510 1.00 51.44 H new ATOM 0 HE1 MET A 76 -3.018 -16.939 -23.798 1.00 51.44 H new ATOM 0 HE2 MET A 76 -4.166 -17.954 -22.893 1.00 51.44 H new ATOM 0 HE3 MET A 76 -4.240 -17.896 -24.670 1.00 51.44 H new ATOM 1188 N MET A 77 -9.024 -16.070 -26.673 1.00 0.22 N ATOM 1189 CA MET A 77 -9.051 -16.824 -27.920 1.00 73.54 C ATOM 1190 C MET A 77 -8.395 -16.034 -29.048 1.00 72.32 C ATOM 1191 O MET A 77 -7.648 -16.589 -29.853 1.00 23.11 O ATOM 1192 CB MET A 77 -10.492 -17.175 -28.298 1.00 42.42 C ATOM 1193 CG MET A 77 -11.399 -15.961 -28.425 1.00 63.32 C ATOM 1194 SD MET A 77 -13.120 -16.409 -28.725 1.00 4.25 S ATOM 1195 CE MET A 77 -13.205 -16.252 -30.507 1.00 12.53 C ATOM 0 H MET A 77 -9.944 -15.865 -26.283 1.00 0.22 H new ATOM 0 HA MET A 77 -8.488 -17.745 -27.770 1.00 73.54 H new ATOM 0 HB2 MET A 77 -10.489 -17.717 -29.244 1.00 42.42 H new ATOM 0 HB3 MET A 77 -10.903 -17.848 -27.546 1.00 42.42 H new ATOM 0 HG2 MET A 77 -11.336 -15.368 -27.513 1.00 63.32 H new ATOM 0 HG3 MET A 77 -11.044 -15.331 -29.240 1.00 63.32 H new ATOM 0 HE1 MET A 77 -14.211 -16.497 -30.846 1.00 12.53 H new ATOM 0 HE2 MET A 77 -12.965 -15.228 -30.794 1.00 12.53 H new ATOM 0 HE3 MET A 77 -12.491 -16.935 -30.967 1.00 12.53 H new ATOM 1205 N GLU A 78 -8.681 -14.737 -29.100 1.00 3.11 N ATOM 1206 CA GLU A 78 -8.118 -13.872 -30.131 1.00 34.24 C ATOM 1207 C GLU A 78 -6.798 -13.262 -29.668 1.00 71.44 C ATOM 1208 O GLU A 78 -5.989 -12.820 -30.483 1.00 23.22 O ATOM 1209 CB GLU A 78 -9.107 -12.762 -30.491 1.00 52.51 C ATOM 1210 CG GLU A 78 -10.110 -13.162 -31.560 1.00 64.53 C ATOM 1211 CD GLU A 78 -10.807 -11.969 -32.183 1.00 12.21 C ATOM 1212 OE1 GLU A 78 -10.909 -11.924 -33.427 1.00 25.11 O ATOM 1213 OE2 GLU A 78 -11.251 -11.080 -31.427 1.00 54.30 O ATOM 0 H GLU A 78 -9.298 -14.262 -28.441 1.00 3.11 H new ATOM 0 HA GLU A 78 -7.927 -14.480 -31.015 1.00 34.24 H new ATOM 0 HB2 GLU A 78 -9.647 -12.463 -29.593 1.00 52.51 H new ATOM 0 HB3 GLU A 78 -8.551 -11.890 -30.835 1.00 52.51 H new ATOM 0 HG2 GLU A 78 -9.598 -13.727 -32.339 1.00 64.53 H new ATOM 0 HG3 GLU A 78 -10.856 -13.826 -31.123 1.00 64.53 H new ATOM 1220 N GLU A 79 -6.589 -13.243 -28.356 1.00 15.44 N ATOM 1221 CA GLU A 79 -5.368 -12.686 -27.785 1.00 55.11 C ATOM 1222 C GLU A 79 -4.401 -13.795 -27.383 1.00 22.21 C ATOM 1223 O GLU A 79 -3.499 -13.584 -26.573 1.00 35.13 O ATOM 1224 CB GLU A 79 -5.697 -11.816 -26.570 1.00 54.32 C ATOM 1225 CG GLU A 79 -5.234 -10.375 -26.710 1.00 21.42 C ATOM 1226 CD GLU A 79 -6.327 -9.458 -27.222 1.00 12.24 C ATOM 1227 OE1 GLU A 79 -6.213 -8.230 -27.021 1.00 63.32 O ATOM 1228 OE2 GLU A 79 -7.297 -9.966 -27.822 1.00 22.41 O ATOM 0 H GLU A 79 -7.249 -13.607 -27.668 1.00 15.44 H new ATOM 0 HA GLU A 79 -4.890 -12.069 -28.546 1.00 55.11 H new ATOM 0 HB2 GLU A 79 -6.775 -11.828 -26.406 1.00 54.32 H new ATOM 0 HB3 GLU A 79 -5.235 -12.253 -25.685 1.00 54.32 H new ATOM 0 HG2 GLU A 79 -4.886 -10.014 -25.742 1.00 21.42 H new ATOM 0 HG3 GLU A 79 -4.383 -10.335 -27.390 1.00 21.42 H new ATOM 1235 N GLY A 80 -4.596 -14.979 -27.956 1.00 22.22 N ATOM 1236 CA GLY A 80 -3.734 -16.105 -27.645 1.00 10.33 C ATOM 1237 C GLY A 80 -3.832 -17.212 -28.675 1.00 34.32 C ATOM 1238 O GLY A 80 -2.829 -17.831 -29.030 1.00 72.24 O ATOM 0 H GLY A 80 -5.335 -15.179 -28.630 1.00 22.22 H new ATOM 0 HA2 GLY A 80 -2.701 -15.762 -27.582 1.00 10.33 H new ATOM 0 HA3 GLY A 80 -3.998 -16.501 -26.664 1.00 10.33 H new ATOM 1242 N LYS A 81 -5.045 -17.465 -29.155 1.00 71.32 N ATOM 1243 CA LYS A 81 -5.273 -18.506 -30.151 1.00 25.35 C ATOM 1244 C LYS A 81 -5.357 -17.910 -31.552 1.00 12.01 C ATOM 1245 O LYS A 81 -5.894 -18.531 -32.471 1.00 25.04 O ATOM 1246 CB LYS A 81 -6.558 -19.273 -29.832 1.00 53.33 C ATOM 1247 CG LYS A 81 -6.400 -20.782 -29.902 1.00 50.20 C ATOM 1248 CD LYS A 81 -7.568 -21.432 -30.624 1.00 34.35 C ATOM 1249 CE LYS A 81 -8.764 -21.611 -29.700 1.00 63.42 C ATOM 1250 NZ LYS A 81 -9.554 -22.825 -30.045 1.00 70.52 N ATOM 0 H LYS A 81 -5.886 -16.963 -28.870 1.00 71.32 H new ATOM 0 HA LYS A 81 -4.429 -19.195 -30.120 1.00 25.35 H new ATOM 0 HB2 LYS A 81 -6.897 -18.998 -28.833 1.00 53.33 H new ATOM 0 HB3 LYS A 81 -7.337 -18.965 -30.529 1.00 53.33 H new ATOM 0 HG2 LYS A 81 -5.471 -21.028 -30.416 1.00 50.20 H new ATOM 0 HG3 LYS A 81 -6.323 -21.188 -28.893 1.00 50.20 H new ATOM 0 HD2 LYS A 81 -7.855 -20.819 -31.479 1.00 34.35 H new ATOM 0 HD3 LYS A 81 -7.261 -22.402 -31.016 1.00 34.35 H new ATOM 0 HE2 LYS A 81 -8.419 -21.683 -28.669 1.00 63.42 H new ATOM 0 HE3 LYS A 81 -9.405 -20.731 -29.761 1.00 63.42 H new ATOM 0 HZ1 LYS A 81 -10.360 -22.912 -29.393 1.00 70.52 H new ATOM 0 HZ2 LYS A 81 -9.905 -22.745 -31.021 1.00 70.52 H new ATOM 0 HZ3 LYS A 81 -8.950 -23.667 -29.963 1.00 70.52 H new ATOM 1264 N LEU A 82 -4.824 -16.704 -31.710 1.00 1.43 N ATOM 1265 CA LEU A 82 -4.838 -16.024 -33.000 1.00 43.24 C ATOM 1266 C LEU A 82 -3.445 -15.520 -33.365 1.00 51.14 C ATOM 1267 O LEU A 82 -2.907 -15.862 -34.419 1.00 3.25 O ATOM 1268 CB LEU A 82 -5.824 -14.855 -32.973 1.00 34.12 C ATOM 1269 CG LEU A 82 -6.114 -14.190 -34.319 1.00 15.23 C ATOM 1270 CD1 LEU A 82 -6.936 -15.113 -35.205 1.00 31.34 C ATOM 1271 CD2 LEU A 82 -6.834 -12.864 -34.114 1.00 62.53 C ATOM 0 H LEU A 82 -4.376 -16.177 -30.960 1.00 1.43 H new ATOM 0 HA LEU A 82 -5.155 -16.741 -33.757 1.00 43.24 H new ATOM 0 HB2 LEU A 82 -6.766 -15.210 -32.555 1.00 34.12 H new ATOM 0 HB3 LEU A 82 -5.439 -14.097 -32.291 1.00 34.12 H new ATOM 0 HG LEU A 82 -5.165 -13.993 -34.817 1.00 15.23 H new ATOM 0 HD11 LEU A 82 -7.132 -14.622 -36.158 1.00 31.34 H new ATOM 0 HD12 LEU A 82 -6.384 -16.037 -35.379 1.00 31.34 H new ATOM 0 HD13 LEU A 82 -7.881 -15.342 -34.713 1.00 31.34 H new ATOM 0 HD21 LEU A 82 -7.033 -12.404 -35.082 1.00 62.53 H new ATOM 0 HD22 LEU A 82 -7.776 -13.038 -33.595 1.00 62.53 H new ATOM 0 HD23 LEU A 82 -6.209 -12.199 -33.518 1.00 62.53 H new ATOM 1283 N ASP A 83 -2.867 -14.708 -32.488 1.00 3.33 N ATOM 1284 CA ASP A 83 -1.535 -14.159 -32.716 1.00 21.23 C ATOM 1285 C ASP A 83 -0.559 -14.641 -31.647 1.00 44.21 C ATOM 1286 O ASP A 83 -0.801 -14.478 -30.452 1.00 14.32 O ATOM 1287 CB ASP A 83 -1.585 -12.631 -32.727 1.00 43.40 C ATOM 1288 CG ASP A 83 -2.865 -12.098 -33.339 1.00 12.50 C ATOM 1289 OD1 ASP A 83 -3.179 -12.479 -34.486 1.00 44.03 O ATOM 1290 OD2 ASP A 83 -3.554 -11.300 -32.670 1.00 55.43 O ATOM 0 H ASP A 83 -3.300 -14.415 -31.612 1.00 3.33 H new ATOM 0 HA ASP A 83 -1.185 -14.510 -33.687 1.00 21.23 H new ATOM 0 HB2 ASP A 83 -1.492 -12.260 -31.706 1.00 43.40 H new ATOM 0 HB3 ASP A 83 -0.731 -12.246 -33.285 1.00 43.40 H new ATOM 1295 N ALA A 84 0.546 -15.236 -32.087 1.00 13.55 N ATOM 1296 CA ALA A 84 1.559 -15.740 -31.168 1.00 71.00 C ATOM 1297 C ALA A 84 2.092 -14.626 -30.273 1.00 63.25 C ATOM 1298 O ALA A 84 2.567 -14.880 -29.166 1.00 50.14 O ATOM 1299 CB ALA A 84 2.697 -16.389 -31.942 1.00 51.31 C ATOM 0 H ALA A 84 0.762 -15.380 -33.073 1.00 13.55 H new ATOM 0 HA ALA A 84 1.094 -16.491 -30.530 1.00 71.00 H new ATOM 0 HB1 ALA A 84 3.446 -16.761 -31.243 1.00 51.31 H new ATOM 0 HB2 ALA A 84 2.309 -17.218 -32.533 1.00 51.31 H new ATOM 0 HB3 ALA A 84 3.152 -15.653 -32.605 1.00 51.31 H new ATOM 1305 N SER A 85 2.012 -13.392 -30.761 1.00 32.31 N ATOM 1306 CA SER A 85 2.491 -12.240 -30.007 1.00 10.21 C ATOM 1307 C SER A 85 1.619 -11.992 -28.780 1.00 35.40 C ATOM 1308 O SER A 85 2.120 -11.668 -27.703 1.00 44.52 O ATOM 1309 CB SER A 85 2.507 -10.994 -30.895 1.00 3.14 C ATOM 1310 OG SER A 85 3.175 -11.248 -32.118 1.00 71.44 O ATOM 0 H SER A 85 1.620 -13.165 -31.675 1.00 32.31 H new ATOM 0 HA SER A 85 3.506 -12.453 -29.672 1.00 10.21 H new ATOM 0 HB2 SER A 85 1.485 -10.673 -31.095 1.00 3.14 H new ATOM 0 HB3 SER A 85 3.001 -10.176 -30.370 1.00 3.14 H new ATOM 0 HG SER A 85 3.170 -10.437 -32.668 1.00 71.44 H new ATOM 1316 N CYS A 86 0.311 -12.148 -28.951 1.00 74.40 N ATOM 1317 CA CYS A 86 -0.633 -11.941 -27.858 1.00 75.55 C ATOM 1318 C CYS A 86 -0.530 -13.063 -26.831 1.00 22.45 C ATOM 1319 O CYS A 86 -0.569 -12.820 -25.625 1.00 4.30 O ATOM 1320 CB CYS A 86 -2.062 -11.859 -28.400 1.00 24.45 C ATOM 1321 SG CYS A 86 -2.308 -10.566 -29.638 1.00 54.34 S ATOM 0 H CYS A 86 -0.120 -12.417 -29.835 1.00 74.40 H new ATOM 0 HA CYS A 86 -0.383 -11.000 -27.368 1.00 75.55 H new ATOM 0 HB2 CYS A 86 -2.329 -12.821 -28.837 1.00 24.45 H new ATOM 0 HB3 CYS A 86 -2.745 -11.686 -27.569 1.00 24.45 H new ATOM 0 HG CYS A 86 -2.930 -11.062 -30.666 1.00 54.34 H new ATOM 1327 N ALA A 87 -0.399 -14.294 -27.316 1.00 55.32 N ATOM 1328 CA ALA A 87 -0.290 -15.453 -26.440 1.00 31.22 C ATOM 1329 C ALA A 87 0.986 -15.394 -25.607 1.00 50.41 C ATOM 1330 O ALA A 87 0.971 -15.677 -24.409 1.00 44.31 O ATOM 1331 CB ALA A 87 -0.331 -16.737 -27.256 1.00 2.05 C ATOM 0 H ALA A 87 -0.366 -14.513 -28.312 1.00 55.32 H new ATOM 0 HA ALA A 87 -1.139 -15.442 -25.757 1.00 31.22 H new ATOM 0 HB1 ALA A 87 -0.249 -17.595 -26.589 1.00 2.05 H new ATOM 0 HB2 ALA A 87 -1.273 -16.791 -27.802 1.00 2.05 H new ATOM 0 HB3 ALA A 87 0.499 -16.746 -27.962 1.00 2.05 H new ATOM 1337 N VAL A 88 2.090 -15.024 -26.249 1.00 74.25 N ATOM 1338 CA VAL A 88 3.375 -14.927 -25.568 1.00 32.23 C ATOM 1339 C VAL A 88 3.394 -13.752 -24.597 1.00 24.03 C ATOM 1340 O VAL A 88 3.932 -13.853 -23.494 1.00 70.54 O ATOM 1341 CB VAL A 88 4.532 -14.769 -26.572 1.00 1.24 C ATOM 1342 CG1 VAL A 88 5.844 -14.526 -25.841 1.00 32.53 C ATOM 1343 CG2 VAL A 88 4.630 -15.994 -27.468 1.00 44.33 C ATOM 0 H VAL A 88 2.120 -14.786 -27.241 1.00 74.25 H new ATOM 0 HA VAL A 88 3.511 -15.855 -25.013 1.00 32.23 H new ATOM 0 HB VAL A 88 4.329 -13.902 -27.201 1.00 1.24 H new ATOM 0 HG11 VAL A 88 6.650 -14.417 -26.567 1.00 32.53 H new ATOM 0 HG12 VAL A 88 5.766 -13.616 -25.246 1.00 32.53 H new ATOM 0 HG13 VAL A 88 6.057 -15.371 -25.186 1.00 32.53 H new ATOM 0 HG21 VAL A 88 5.453 -15.865 -28.171 1.00 44.33 H new ATOM 0 HG22 VAL A 88 4.810 -16.878 -26.857 1.00 44.33 H new ATOM 0 HG23 VAL A 88 3.698 -16.117 -28.019 1.00 44.33 H new ATOM 1353 N ALA A 89 2.804 -12.637 -25.014 1.00 11.11 N ATOM 1354 CA ALA A 89 2.751 -11.443 -24.180 1.00 41.51 C ATOM 1355 C ALA A 89 1.976 -11.705 -22.894 1.00 14.14 C ATOM 1356 O ALA A 89 2.408 -11.319 -21.807 1.00 43.54 O ATOM 1357 CB ALA A 89 2.125 -10.289 -24.950 1.00 4.22 C ATOM 0 H ALA A 89 2.356 -12.536 -25.925 1.00 11.11 H new ATOM 0 HA ALA A 89 3.772 -11.174 -23.909 1.00 41.51 H new ATOM 0 HB1 ALA A 89 2.092 -9.404 -24.315 1.00 4.22 H new ATOM 0 HB2 ALA A 89 2.722 -10.077 -25.837 1.00 4.22 H new ATOM 0 HB3 ALA A 89 1.112 -10.559 -25.250 1.00 4.22 H new ATOM 1363 N ILE A 90 0.828 -12.363 -23.023 1.00 45.35 N ATOM 1364 CA ILE A 90 -0.006 -12.676 -21.871 1.00 34.45 C ATOM 1365 C ILE A 90 0.662 -13.713 -20.974 1.00 33.31 C ATOM 1366 O ILE A 90 0.729 -13.544 -19.757 1.00 33.20 O ATOM 1367 CB ILE A 90 -1.388 -13.202 -22.302 1.00 52.34 C ATOM 1368 CG1 ILE A 90 -2.138 -12.133 -23.100 1.00 43.24 C ATOM 1369 CG2 ILE A 90 -2.197 -13.627 -21.086 1.00 11.31 C ATOM 1370 CD1 ILE A 90 -3.349 -12.665 -23.834 1.00 0.11 C ATOM 0 H ILE A 90 0.455 -12.689 -23.915 1.00 45.35 H new ATOM 0 HA ILE A 90 -0.137 -11.748 -21.315 1.00 34.45 H new ATOM 0 HB ILE A 90 -1.245 -14.073 -22.941 1.00 52.34 H new ATOM 0 HG12 ILE A 90 -2.454 -11.340 -22.422 1.00 43.24 H new ATOM 0 HG13 ILE A 90 -1.455 -11.683 -23.821 1.00 43.24 H new ATOM 0 HG21 ILE A 90 -3.171 -13.996 -21.408 1.00 11.31 H new ATOM 0 HG22 ILE A 90 -1.667 -14.417 -20.554 1.00 11.31 H new ATOM 0 HG23 ILE A 90 -2.334 -12.773 -20.423 1.00 11.31 H new ATOM 0 HD11 ILE A 90 -3.831 -11.852 -24.378 1.00 0.11 H new ATOM 0 HD12 ILE A 90 -3.038 -13.438 -24.537 1.00 0.11 H new ATOM 0 HD13 ILE A 90 -4.052 -13.089 -23.117 1.00 0.11 H new ATOM 1382 N GLU A 91 1.156 -14.785 -21.585 1.00 21.51 N ATOM 1383 CA GLU A 91 1.820 -15.849 -20.841 1.00 23.30 C ATOM 1384 C GLU A 91 2.994 -15.299 -20.036 1.00 65.43 C ATOM 1385 O GLU A 91 3.256 -15.744 -18.919 1.00 41.41 O ATOM 1386 CB GLU A 91 2.309 -16.941 -21.795 1.00 73.14 C ATOM 1387 CG GLU A 91 2.448 -18.305 -21.140 1.00 1.31 C ATOM 1388 CD GLU A 91 2.731 -19.407 -22.142 1.00 30.44 C ATOM 1389 OE1 GLU A 91 3.104 -20.519 -21.710 1.00 41.53 O ATOM 1390 OE2 GLU A 91 2.580 -19.160 -23.356 1.00 52.40 O ATOM 0 H GLU A 91 1.109 -14.940 -22.592 1.00 21.51 H new ATOM 0 HA GLU A 91 1.096 -16.279 -20.149 1.00 23.30 H new ATOM 0 HB2 GLU A 91 1.615 -17.018 -22.632 1.00 73.14 H new ATOM 0 HB3 GLU A 91 3.274 -16.646 -22.208 1.00 73.14 H new ATOM 0 HG2 GLU A 91 3.253 -18.271 -20.406 1.00 1.31 H new ATOM 0 HG3 GLU A 91 1.532 -18.539 -20.598 1.00 1.31 H new ATOM 1397 N GLU A 92 3.698 -14.330 -20.614 1.00 21.51 N ATOM 1398 CA GLU A 92 4.845 -13.721 -19.951 1.00 61.11 C ATOM 1399 C GLU A 92 4.395 -12.810 -18.813 1.00 52.51 C ATOM 1400 O GLU A 92 4.951 -12.847 -17.716 1.00 63.52 O ATOM 1401 CB GLU A 92 5.680 -12.925 -20.957 1.00 31.53 C ATOM 1402 CG GLU A 92 6.815 -12.141 -20.320 1.00 14.31 C ATOM 1403 CD GLU A 92 7.896 -11.768 -21.315 1.00 2.40 C ATOM 1404 OE1 GLU A 92 7.731 -10.746 -22.015 1.00 21.25 O ATOM 1405 OE2 GLU A 92 8.907 -12.496 -21.395 1.00 30.45 O ATOM 0 H GLU A 92 3.494 -13.951 -21.539 1.00 21.51 H new ATOM 0 HA GLU A 92 5.457 -14.520 -19.533 1.00 61.11 H new ATOM 0 HB2 GLU A 92 6.093 -13.611 -21.697 1.00 31.53 H new ATOM 0 HB3 GLU A 92 5.028 -12.234 -21.492 1.00 31.53 H new ATOM 0 HG2 GLU A 92 6.415 -11.234 -19.866 1.00 14.31 H new ATOM 0 HG3 GLU A 92 7.254 -12.732 -19.517 1.00 14.31 H new ATOM 1412 N ALA A 93 3.384 -11.991 -19.084 1.00 13.54 N ATOM 1413 CA ALA A 93 2.857 -11.070 -18.083 1.00 64.33 C ATOM 1414 C ALA A 93 2.428 -11.815 -16.824 1.00 24.32 C ATOM 1415 O ALA A 93 2.708 -11.378 -15.707 1.00 54.42 O ATOM 1416 CB ALA A 93 1.689 -10.281 -18.655 1.00 44.43 C ATOM 0 H ALA A 93 2.913 -11.946 -19.988 1.00 13.54 H new ATOM 0 HA ALA A 93 3.652 -10.376 -17.810 1.00 64.33 H new ATOM 0 HB1 ALA A 93 1.306 -9.598 -17.897 1.00 44.43 H new ATOM 0 HB2 ALA A 93 2.025 -9.711 -19.521 1.00 44.43 H new ATOM 0 HB3 ALA A 93 0.899 -10.968 -18.957 1.00 44.43 H new ATOM 1422 N ILE A 94 1.749 -12.941 -17.011 1.00 35.52 N ATOM 1423 CA ILE A 94 1.282 -13.747 -15.889 1.00 13.40 C ATOM 1424 C ILE A 94 2.423 -14.552 -15.277 1.00 44.54 C ATOM 1425 O ILE A 94 2.452 -14.786 -14.070 1.00 21.43 O ATOM 1426 CB ILE A 94 0.160 -14.711 -16.317 1.00 30.43 C ATOM 1427 CG1 ILE A 94 0.686 -15.717 -17.343 1.00 50.32 C ATOM 1428 CG2 ILE A 94 -1.019 -13.935 -16.884 1.00 1.32 C ATOM 1429 CD1 ILE A 94 -0.371 -16.673 -17.849 1.00 32.11 C ATOM 0 H ILE A 94 1.510 -13.316 -17.929 1.00 35.52 H new ATOM 0 HA ILE A 94 0.890 -13.054 -15.145 1.00 13.40 H new ATOM 0 HB ILE A 94 -0.181 -15.260 -15.439 1.00 30.43 H new ATOM 0 HG12 ILE A 94 1.108 -15.174 -18.189 1.00 50.32 H new ATOM 0 HG13 ILE A 94 1.498 -16.290 -16.895 1.00 50.32 H new ATOM 0 HG21 ILE A 94 -1.803 -14.631 -17.182 1.00 1.32 H new ATOM 0 HG22 ILE A 94 -1.406 -13.255 -16.125 1.00 1.32 H new ATOM 0 HG23 ILE A 94 -0.694 -13.362 -17.752 1.00 1.32 H new ATOM 0 HD11 ILE A 94 0.073 -17.357 -18.572 1.00 32.11 H new ATOM 0 HD12 ILE A 94 -0.777 -17.243 -17.013 1.00 32.11 H new ATOM 0 HD13 ILE A 94 -1.172 -16.110 -18.327 1.00 32.11 H new ATOM 1441 N GLN A 95 3.363 -14.970 -16.119 1.00 51.45 N ATOM 1442 CA GLN A 95 4.508 -15.747 -15.661 1.00 32.31 C ATOM 1443 C GLN A 95 5.384 -14.925 -14.722 1.00 14.34 C ATOM 1444 O GLN A 95 6.021 -15.466 -13.817 1.00 43.22 O ATOM 1445 CB GLN A 95 5.333 -16.231 -16.854 1.00 65.13 C ATOM 1446 CG GLN A 95 4.921 -17.603 -17.364 1.00 12.43 C ATOM 1447 CD GLN A 95 5.248 -18.712 -16.384 1.00 1.13 C ATOM 1448 OE1 GLN A 95 6.353 -19.255 -16.389 1.00 4.41 O ATOM 1449 NE2 GLN A 95 4.286 -19.055 -15.535 1.00 23.21 N ATOM 0 H GLN A 95 3.354 -14.783 -17.122 1.00 51.45 H new ATOM 0 HA GLN A 95 4.132 -16.611 -15.114 1.00 32.31 H new ATOM 0 HB2 GLN A 95 5.241 -15.509 -17.665 1.00 65.13 H new ATOM 0 HB3 GLN A 95 6.385 -16.259 -16.570 1.00 65.13 H new ATOM 0 HG2 GLN A 95 3.850 -17.605 -17.565 1.00 12.43 H new ATOM 0 HG3 GLN A 95 5.423 -17.800 -18.311 1.00 12.43 H new ATOM 0 HE21 GLN A 95 3.385 -18.578 -15.566 1.00 23.21 H new ATOM 0 HE22 GLN A 95 4.448 -19.795 -14.852 1.00 23.21 H new ATOM 1458 N LEU A 96 5.411 -13.615 -14.942 1.00 13.15 N ATOM 1459 CA LEU A 96 6.209 -12.717 -14.115 1.00 10.45 C ATOM 1460 C LEU A 96 5.402 -12.214 -12.922 1.00 3.43 C ATOM 1461 O LEU A 96 5.913 -12.131 -11.804 1.00 41.14 O ATOM 1462 CB LEU A 96 6.705 -11.532 -14.946 1.00 14.14 C ATOM 1463 CG LEU A 96 7.693 -11.863 -16.064 1.00 72.54 C ATOM 1464 CD1 LEU A 96 7.891 -10.662 -16.975 1.00 4.42 C ATOM 1465 CD2 LEU A 96 9.023 -12.320 -15.483 1.00 71.21 C ATOM 0 H LEU A 96 4.890 -13.151 -15.686 1.00 13.15 H new ATOM 0 HA LEU A 96 7.067 -13.275 -13.740 1.00 10.45 H new ATOM 0 HB2 LEU A 96 5.840 -11.036 -15.388 1.00 14.14 H new ATOM 0 HB3 LEU A 96 7.175 -10.814 -14.274 1.00 14.14 H new ATOM 0 HG LEU A 96 7.280 -12.678 -16.658 1.00 72.54 H new ATOM 0 HD11 LEU A 96 8.598 -10.917 -17.765 1.00 4.42 H new ATOM 0 HD12 LEU A 96 6.936 -10.381 -17.419 1.00 4.42 H new ATOM 0 HD13 LEU A 96 8.281 -9.826 -16.395 1.00 4.42 H new ATOM 0 HD21 LEU A 96 9.714 -12.551 -16.294 1.00 71.21 H new ATOM 0 HD22 LEU A 96 9.442 -11.526 -14.865 1.00 71.21 H new ATOM 0 HD23 LEU A 96 8.867 -13.210 -14.874 1.00 71.21 H new ATOM 1477 N TYR A 97 4.140 -11.881 -13.166 1.00 52.11 N ATOM 1478 CA TYR A 97 3.262 -11.386 -12.112 1.00 41.02 C ATOM 1479 C TYR A 97 3.115 -12.417 -10.997 1.00 54.22 C ATOM 1480 O TYR A 97 3.083 -12.070 -9.817 1.00 53.41 O ATOM 1481 CB TYR A 97 1.887 -11.038 -12.686 1.00 24.52 C ATOM 1482 CG TYR A 97 1.035 -10.208 -11.754 1.00 13.24 C ATOM 1483 CD1 TYR A 97 1.562 -9.101 -11.100 1.00 13.23 C ATOM 1484 CD2 TYR A 97 -0.297 -10.530 -11.526 1.00 34.21 C ATOM 1485 CE1 TYR A 97 0.787 -8.339 -10.247 1.00 32.14 C ATOM 1486 CE2 TYR A 97 -1.080 -9.773 -10.676 1.00 32.44 C ATOM 1487 CZ TYR A 97 -0.534 -8.679 -10.038 1.00 64.22 C ATOM 1488 OH TYR A 97 -1.310 -7.924 -9.189 1.00 43.34 O ATOM 0 H TYR A 97 3.701 -11.945 -14.085 1.00 52.11 H new ATOM 0 HA TYR A 97 3.711 -10.486 -11.693 1.00 41.02 H new ATOM 0 HB2 TYR A 97 2.020 -10.496 -13.622 1.00 24.52 H new ATOM 0 HB3 TYR A 97 1.358 -11.961 -12.924 1.00 24.52 H new ATOM 0 HD1 TYR A 97 2.595 -8.832 -11.261 1.00 13.23 H new ATOM 0 HD2 TYR A 97 -0.728 -11.387 -12.022 1.00 34.21 H new ATOM 0 HE1 TYR A 97 1.213 -7.482 -9.746 1.00 32.14 H new ATOM 0 HE2 TYR A 97 -2.114 -10.037 -10.512 1.00 32.44 H new ATOM 0 HH TYR A 97 -2.215 -8.298 -9.154 1.00 43.34 H new ATOM 1498 N GLU A 98 3.026 -13.686 -11.382 1.00 33.23 N ATOM 1499 CA GLU A 98 2.881 -14.768 -10.415 1.00 25.22 C ATOM 1500 C GLU A 98 4.246 -15.267 -9.948 1.00 43.35 C ATOM 1501 O GLU A 98 4.346 -16.287 -9.268 1.00 11.12 O ATOM 1502 CB GLU A 98 2.085 -15.924 -11.024 1.00 42.13 C ATOM 1503 CG GLU A 98 0.590 -15.834 -10.770 1.00 11.23 C ATOM 1504 CD GLU A 98 -0.150 -17.089 -11.190 1.00 10.04 C ATOM 1505 OE1 GLU A 98 -1.391 -17.030 -11.319 1.00 41.02 O ATOM 1506 OE2 GLU A 98 0.511 -18.130 -11.388 1.00 52.42 O ATOM 0 H GLU A 98 3.052 -13.990 -12.355 1.00 33.23 H new ATOM 0 HA GLU A 98 2.340 -14.379 -9.552 1.00 25.22 H new ATOM 0 HB2 GLU A 98 2.261 -15.949 -12.099 1.00 42.13 H new ATOM 0 HB3 GLU A 98 2.458 -16.864 -10.618 1.00 42.13 H new ATOM 0 HG2 GLU A 98 0.416 -15.652 -9.710 1.00 11.23 H new ATOM 0 HG3 GLU A 98 0.184 -14.979 -11.311 1.00 11.23 H new ATOM 1513 N GLU A 99 5.295 -14.539 -10.321 1.00 54.00 N ATOM 1514 CA GLU A 99 6.653 -14.908 -9.942 1.00 64.21 C ATOM 1515 C GLU A 99 7.306 -13.806 -9.113 1.00 53.41 C ATOM 1516 O GLU A 99 8.279 -14.046 -8.399 1.00 52.11 O ATOM 1517 CB GLU A 99 7.495 -15.190 -11.188 1.00 63.23 C ATOM 1518 CG GLU A 99 7.481 -16.648 -11.615 1.00 71.34 C ATOM 1519 CD GLU A 99 8.524 -17.478 -10.892 1.00 71.35 C ATOM 1520 OE1 GLU A 99 9.719 -17.360 -11.237 1.00 75.14 O ATOM 1521 OE2 GLU A 99 8.146 -18.246 -9.983 1.00 2.42 O ATOM 0 H GLU A 99 5.230 -13.691 -10.885 1.00 54.00 H new ATOM 0 HA GLU A 99 6.600 -15.812 -9.335 1.00 64.21 H new ATOM 0 HB2 GLU A 99 7.128 -14.576 -12.010 1.00 63.23 H new ATOM 0 HB3 GLU A 99 8.524 -14.886 -10.997 1.00 63.23 H new ATOM 0 HG2 GLU A 99 6.493 -17.068 -11.427 1.00 71.34 H new ATOM 0 HG3 GLU A 99 7.654 -16.710 -12.689 1.00 71.34 H new ATOM 1528 N GLN A 100 6.762 -12.597 -9.215 1.00 3.13 N ATOM 1529 CA GLN A 100 7.292 -11.457 -8.475 1.00 60.15 C ATOM 1530 C GLN A 100 6.332 -11.032 -7.370 1.00 11.35 C ATOM 1531 O GLN A 100 6.752 -10.525 -6.329 1.00 5.52 O ATOM 1532 CB GLN A 100 7.550 -10.284 -9.422 1.00 42.23 C ATOM 1533 CG GLN A 100 8.905 -10.342 -10.108 1.00 65.54 C ATOM 1534 CD GLN A 100 9.629 -9.011 -10.085 1.00 44.33 C ATOM 1535 OE1 GLN A 100 9.766 -8.383 -9.035 1.00 32.34 O ATOM 1536 NE2 GLN A 100 10.099 -8.572 -11.247 1.00 53.53 N ATOM 0 H GLN A 100 5.956 -12.382 -9.802 1.00 3.13 H new ATOM 0 HA GLN A 100 8.234 -11.759 -8.016 1.00 60.15 H new ATOM 0 HB2 GLN A 100 6.768 -10.262 -10.181 1.00 42.23 H new ATOM 0 HB3 GLN A 100 7.476 -9.352 -8.861 1.00 42.23 H new ATOM 0 HG2 GLN A 100 9.523 -11.096 -9.620 1.00 65.54 H new ATOM 0 HG3 GLN A 100 8.771 -10.660 -11.142 1.00 65.54 H new ATOM 0 HE21 GLN A 100 9.963 -9.125 -12.094 1.00 53.53 H new ATOM 0 HE22 GLN A 100 10.596 -7.682 -11.293 1.00 53.53 H new ATOM 1545 N LEU A 101 5.041 -11.241 -7.601 1.00 53.23 N ATOM 1546 CA LEU A 101 4.020 -10.879 -6.624 1.00 54.44 C ATOM 1547 C LEU A 101 3.735 -12.041 -5.678 1.00 55.43 C ATOM 1548 O LEU A 101 3.292 -11.840 -4.547 1.00 74.51 O ATOM 1549 CB LEU A 101 2.732 -10.457 -7.335 1.00 63.22 C ATOM 1550 CG LEU A 101 1.654 -9.827 -6.453 1.00 41.32 C ATOM 1551 CD1 LEU A 101 1.687 -8.311 -6.571 1.00 51.23 C ATOM 1552 CD2 LEU A 101 0.279 -10.363 -6.826 1.00 5.23 C ATOM 0 H LEU A 101 4.676 -11.659 -8.457 1.00 53.23 H new ATOM 0 HA LEU A 101 4.395 -10.041 -6.037 1.00 54.44 H new ATOM 0 HB2 LEU A 101 2.990 -9.747 -8.121 1.00 63.22 H new ATOM 0 HB3 LEU A 101 2.307 -11.333 -7.824 1.00 63.22 H new ATOM 0 HG LEU A 101 1.857 -10.095 -5.416 1.00 41.32 H new ATOM 0 HD11 LEU A 101 0.913 -7.880 -5.936 1.00 51.23 H new ATOM 0 HD12 LEU A 101 2.663 -7.943 -6.254 1.00 51.23 H new ATOM 0 HD13 LEU A 101 1.509 -8.023 -7.607 1.00 51.23 H new ATOM 0 HD21 LEU A 101 -0.476 -9.904 -6.188 1.00 5.23 H new ATOM 0 HD22 LEU A 101 0.066 -10.126 -7.868 1.00 5.23 H new ATOM 0 HD23 LEU A 101 0.261 -11.444 -6.689 1.00 5.23 H new ATOM 1564 N LYS A 102 3.993 -13.256 -6.148 1.00 24.30 N ATOM 1565 CA LYS A 102 3.769 -14.452 -5.344 1.00 15.41 C ATOM 1566 C LYS A 102 5.040 -14.857 -4.605 1.00 72.51 C ATOM 1567 O LYS A 102 4.987 -15.308 -3.461 1.00 61.23 O ATOM 1568 CB LYS A 102 3.290 -15.605 -6.229 1.00 45.44 C ATOM 1569 CG LYS A 102 3.458 -16.972 -5.590 1.00 71.23 C ATOM 1570 CD LYS A 102 4.578 -17.761 -6.247 1.00 72.54 C ATOM 1571 CE LYS A 102 5.849 -17.726 -5.412 1.00 73.35 C ATOM 1572 NZ LYS A 102 6.402 -19.090 -5.187 1.00 62.32 N ATOM 0 H LYS A 102 4.358 -13.439 -7.083 1.00 24.30 H new ATOM 0 HA LYS A 102 2.999 -14.225 -4.607 1.00 15.41 H new ATOM 0 HB2 LYS A 102 2.238 -15.453 -6.471 1.00 45.44 H new ATOM 0 HB3 LYS A 102 3.840 -15.583 -7.170 1.00 45.44 H new ATOM 0 HG2 LYS A 102 3.670 -16.854 -4.527 1.00 71.23 H new ATOM 0 HG3 LYS A 102 2.524 -17.529 -5.669 1.00 71.23 H new ATOM 0 HD2 LYS A 102 4.262 -18.795 -6.388 1.00 72.54 H new ATOM 0 HD3 LYS A 102 4.780 -17.352 -7.237 1.00 72.54 H new ATOM 0 HE2 LYS A 102 6.596 -17.109 -5.913 1.00 73.35 H new ATOM 0 HE3 LYS A 102 5.640 -17.256 -4.451 1.00 73.35 H new ATOM 0 HZ1 LYS A 102 7.267 -19.024 -4.614 1.00 62.32 H new ATOM 0 HZ2 LYS A 102 5.699 -19.671 -4.687 1.00 62.32 H new ATOM 0 HZ3 LYS A 102 6.626 -19.529 -6.103 1.00 62.32 H new ATOM 1586 N ALA A 103 6.181 -14.693 -5.266 1.00 70.12 N ATOM 1587 CA ALA A 103 7.466 -15.039 -4.670 1.00 75.15 C ATOM 1588 C ALA A 103 7.879 -14.011 -3.623 1.00 23.55 C ATOM 1589 O ALA A 103 8.653 -14.315 -2.715 1.00 44.12 O ATOM 1590 CB ALA A 103 8.533 -15.156 -5.748 1.00 50.45 C ATOM 0 H ALA A 103 6.242 -14.323 -6.214 1.00 70.12 H new ATOM 0 HA ALA A 103 7.361 -16.003 -4.173 1.00 75.15 H new ATOM 0 HB1 ALA A 103 9.487 -15.415 -5.289 1.00 50.45 H new ATOM 0 HB2 ALA A 103 8.249 -15.933 -6.458 1.00 50.45 H new ATOM 0 HB3 ALA A 103 8.628 -14.204 -6.271 1.00 50.45 H new ATOM 1596 N GLN A 104 7.359 -12.796 -3.755 1.00 11.31 N ATOM 1597 CA GLN A 104 7.676 -11.723 -2.819 1.00 64.43 C ATOM 1598 C GLN A 104 6.528 -11.496 -1.842 1.00 52.31 C ATOM 1599 O GLN A 104 6.496 -10.493 -1.129 1.00 70.14 O ATOM 1600 CB GLN A 104 7.981 -10.430 -3.577 1.00 72.12 C ATOM 1601 CG GLN A 104 9.087 -10.576 -4.610 1.00 73.11 C ATOM 1602 CD GLN A 104 10.430 -10.093 -4.099 1.00 53.14 C ATOM 1603 OE1 GLN A 104 10.698 -10.124 -2.898 1.00 13.31 O ATOM 1604 NE2 GLN A 104 11.283 -9.643 -5.012 1.00 2.13 N ATOM 0 H GLN A 104 6.716 -12.529 -4.501 1.00 11.31 H new ATOM 0 HA GLN A 104 8.558 -12.019 -2.251 1.00 64.43 H new ATOM 0 HB2 GLN A 104 7.074 -10.088 -4.075 1.00 72.12 H new ATOM 0 HB3 GLN A 104 8.263 -9.657 -2.862 1.00 72.12 H new ATOM 0 HG2 GLN A 104 9.169 -11.623 -4.903 1.00 73.11 H new ATOM 0 HG3 GLN A 104 8.820 -10.014 -5.505 1.00 73.11 H new ATOM 0 HE21 GLN A 104 11.019 -9.636 -5.997 1.00 2.13 H new ATOM 0 HE22 GLN A 104 12.202 -9.305 -4.728 1.00 2.13 H new ATOM 1613 N ALA A 105 5.586 -12.433 -1.815 1.00 51.11 N ATOM 1614 CA ALA A 105 4.436 -12.335 -0.924 1.00 63.13 C ATOM 1615 C ALA A 105 4.487 -13.408 0.158 1.00 63.32 C ATOM 1616 O ALA A 105 3.459 -13.793 0.713 1.00 2.35 O ATOM 1617 CB ALA A 105 3.143 -12.444 -1.718 1.00 72.21 C ATOM 0 H ALA A 105 5.596 -13.269 -2.400 1.00 51.11 H new ATOM 0 HA ALA A 105 4.468 -11.361 -0.435 1.00 63.13 H new ATOM 0 HB1 ALA A 105 2.293 -12.369 -1.040 1.00 72.21 H new ATOM 0 HB2 ALA A 105 3.096 -11.637 -2.450 1.00 72.21 H new ATOM 0 HB3 ALA A 105 3.113 -13.404 -2.234 1.00 72.21 H new ATOM 1623 N GLY A 106 5.692 -13.889 0.452 1.00 74.32 N ATOM 1624 CA GLY A 106 5.854 -14.915 1.466 1.00 54.41 C ATOM 1625 C GLY A 106 7.298 -15.342 1.633 1.00 63.14 C ATOM 1626 O GLY A 106 7.855 -15.259 2.726 1.00 23.13 O ATOM 0 H GLY A 106 6.558 -13.586 0.006 1.00 74.32 H new ATOM 0 HA2 GLY A 106 5.476 -14.543 2.418 1.00 54.41 H new ATOM 0 HA3 GLY A 106 5.250 -15.783 1.200 1.00 54.41 H new ATOM 1630 N GLY A 107 7.907 -15.803 0.544 1.00 60.00 N ATOM 1631 CA GLY A 107 9.290 -16.240 0.596 1.00 32.33 C ATOM 1632 C GLY A 107 9.417 -17.738 0.796 1.00 43.54 C ATOM 1633 O GLY A 107 8.801 -18.307 1.697 1.00 2.23 O ATOM 0 H GLY A 107 7.467 -15.881 -0.373 1.00 60.00 H new ATOM 0 HA2 GLY A 107 9.793 -15.956 -0.328 1.00 32.33 H new ATOM 0 HA3 GLY A 107 9.801 -15.723 1.408 1.00 32.33 H new ATOM 1637 N THR A 108 10.218 -18.379 -0.049 1.00 64.52 N ATOM 1638 CA THR A 108 10.423 -19.820 0.036 1.00 14.12 C ATOM 1639 C THR A 108 9.142 -20.577 -0.295 1.00 32.43 C ATOM 1640 O THR A 108 8.594 -21.287 0.548 1.00 63.32 O ATOM 1641 CB THR A 108 10.904 -20.237 1.439 1.00 44.14 C ATOM 1642 OG1 THR A 108 11.736 -19.213 1.995 1.00 0.24 O ATOM 1643 CG2 THR A 108 11.676 -21.547 1.379 1.00 54.34 C ATOM 0 H THR A 108 10.736 -17.923 -0.800 1.00 64.52 H new ATOM 0 HA THR A 108 11.192 -20.074 -0.694 1.00 14.12 H new ATOM 0 HB THR A 108 10.028 -20.378 2.073 1.00 44.14 H new ATOM 0 HG1 THR A 108 12.037 -19.484 2.887 1.00 0.24 H new ATOM 0 HG21 THR A 108 12.006 -21.821 2.381 1.00 54.34 H new ATOM 0 HG22 THR A 108 11.032 -22.331 0.982 1.00 54.34 H new ATOM 0 HG23 THR A 108 12.545 -21.428 0.731 1.00 54.34 H new ATOM 1651 N ASN A 109 8.669 -20.422 -1.527 1.00 44.22 N ATOM 1652 CA ASN A 109 7.452 -21.092 -1.969 1.00 71.13 C ATOM 1653 C ASN A 109 6.303 -20.827 -1.001 1.00 72.03 C ATOM 1654 O ASN A 109 5.455 -21.690 -0.779 1.00 74.20 O ATOM 1655 CB ASN A 109 7.691 -22.598 -2.095 1.00 32.12 C ATOM 1656 CG ASN A 109 8.829 -22.926 -3.042 1.00 74.03 C ATOM 1657 OD1 ASN A 109 8.886 -22.416 -4.161 1.00 50.12 O ATOM 1658 ND2 ASN A 109 9.741 -23.782 -2.597 1.00 10.00 N ATOM 0 H ASN A 109 9.110 -19.838 -2.237 1.00 44.22 H new ATOM 0 HA ASN A 109 7.180 -20.691 -2.946 1.00 71.13 H new ATOM 0 HB2 ASN A 109 7.910 -23.012 -1.111 1.00 32.12 H new ATOM 0 HB3 ASN A 109 6.779 -23.080 -2.447 1.00 32.12 H new ATOM 0 HD21 ASN A 109 10.529 -24.041 -3.190 1.00 10.00 H new ATOM 0 HD22 ASN A 109 9.653 -24.180 -1.662 1.00 10.00 H new ATOM 1665 N GLU A 110 6.283 -19.627 -0.429 1.00 73.14 N ATOM 1666 CA GLU A 110 5.238 -19.249 0.515 1.00 72.12 C ATOM 1667 C GLU A 110 5.276 -20.139 1.754 1.00 43.11 C ATOM 1668 O GLU A 110 6.328 -20.323 2.365 1.00 63.31 O ATOM 1669 CB GLU A 110 3.862 -19.340 -0.149 1.00 43.13 C ATOM 1670 CG GLU A 110 3.004 -18.103 0.057 1.00 61.02 C ATOM 1671 CD GLU A 110 1.806 -18.063 -0.872 1.00 32.25 C ATOM 1672 OE1 GLU A 110 0.802 -17.410 -0.516 1.00 44.32 O ATOM 1673 OE2 GLU A 110 1.871 -18.685 -1.952 1.00 51.04 O ATOM 0 H GLU A 110 6.978 -18.901 -0.603 1.00 73.14 H new ATOM 0 HA GLU A 110 5.418 -18.219 0.823 1.00 72.12 H new ATOM 0 HB2 GLU A 110 3.994 -19.506 -1.218 1.00 43.13 H new ATOM 0 HB3 GLU A 110 3.334 -20.208 0.246 1.00 43.13 H new ATOM 0 HG2 GLU A 110 2.659 -18.073 1.090 1.00 61.02 H new ATOM 0 HG3 GLU A 110 3.612 -17.213 -0.102 1.00 61.02 H new TER 1680 GLU A 110