USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 ASN : amide:sc= -1.38 K(o=-0.57,f=-2.1!) USER MOD Set 1.2: A 63 SER OG : rot -10:sc= 0.81 USER MOD Set 2.1: A 42 TYR OH : rot 80:sc= 0.987 USER MOD Set 2.2: A 67 MET CE :methyl 158:sc= -0.505 (180deg=-2.59!) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0088 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 49:sc= 0.185 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.132 F(o=-1.4!,f=-0.13) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 30:sc=-0.000255 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0538 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.0548 F(o=-1.2!,f=-0.055) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.175 F(o=-2!,f=-0.18) USER MOD Single : A 38 TYR OH : rot -63:sc= -2.41! USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.15) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 179:sc= 0.412 USER MOD Single : A 69 THR OG1 : rot -120:sc= 0.578 USER MOD Single : A 71 SER OG : rot 39:sc= 0.0801 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.292 -3.306 -2.954 1.00 35.34 N ATOM 2 CA GLY A 1 1.055 -2.685 -2.883 1.00 55.43 C ATOM 3 C GLY A 1 2.095 -3.655 -2.362 1.00 51.14 C ATOM 4 O GLY A 1 1.818 -4.418 -1.433 1.00 72.35 O ATOM 0 H1 GLY A 1 -1.005 -2.629 -2.613 1.00 35.34 H new ATOM 0 H2 GLY A 1 -0.503 -3.565 -3.939 1.00 35.34 H new ATOM 0 H3 GLY A 1 -0.313 -4.159 -2.360 1.00 35.34 H new ATOM 0 HA2 GLY A 1 1.347 -2.336 -3.874 1.00 55.43 H new ATOM 0 HA3 GLY A 1 1.018 -1.809 -2.235 1.00 55.43 H new ATOM 10 N PRO A 2 3.307 -3.655 -2.941 1.00 72.10 N ATOM 11 CA PRO A 2 4.374 -4.573 -2.558 1.00 11.23 C ATOM 12 C PRO A 2 5.135 -4.101 -1.325 1.00 35.21 C ATOM 13 O PRO A 2 6.152 -3.410 -1.429 1.00 11.13 O ATOM 14 CB PRO A 2 5.301 -4.600 -3.783 1.00 52.12 C ATOM 15 CG PRO A 2 4.742 -3.610 -4.762 1.00 45.52 C ATOM 16 CD PRO A 2 3.743 -2.767 -4.020 1.00 34.41 C ATOM 0 HA PRO A 2 3.979 -5.553 -2.291 1.00 11.23 H new ATOM 0 HB2 PRO A 2 6.321 -4.336 -3.504 1.00 52.12 H new ATOM 0 HB3 PRO A 2 5.338 -5.598 -4.219 1.00 52.12 H new ATOM 0 HG2 PRO A 2 5.536 -2.989 -5.177 1.00 45.52 H new ATOM 0 HG3 PRO A 2 4.267 -4.122 -5.599 1.00 45.52 H new ATOM 0 HD2 PRO A 2 4.193 -1.852 -3.634 1.00 34.41 H new ATOM 0 HD3 PRO A 2 2.912 -2.468 -4.659 1.00 34.41 H new ATOM 24 N THR A 3 4.627 -4.455 -0.157 1.00 75.23 N ATOM 25 CA THR A 3 5.280 -4.105 1.089 1.00 20.44 C ATOM 26 C THR A 3 5.737 -5.361 1.832 1.00 14.14 C ATOM 27 O THR A 3 4.945 -6.037 2.496 1.00 41.35 O ATOM 28 CB THR A 3 4.349 -3.260 1.982 1.00 44.42 C ATOM 29 OG1 THR A 3 3.055 -3.874 2.071 1.00 62.22 O ATOM 30 CG2 THR A 3 4.204 -1.846 1.436 1.00 1.30 C ATOM 0 H THR A 3 3.763 -4.985 -0.047 1.00 75.23 H new ATOM 0 HA THR A 3 6.159 -3.506 0.850 1.00 20.44 H new ATOM 0 HB THR A 3 4.795 -3.207 2.975 1.00 44.42 H new ATOM 0 HG1 THR A 3 3.158 -4.823 2.292 1.00 62.22 H new ATOM 0 HG21 THR A 3 3.542 -1.272 2.084 1.00 1.30 H new ATOM 0 HG22 THR A 3 5.183 -1.367 1.401 1.00 1.30 H new ATOM 0 HG23 THR A 3 3.783 -1.885 0.431 1.00 1.30 H new ATOM 38 N SER A 4 7.016 -5.681 1.704 1.00 71.02 N ATOM 39 CA SER A 4 7.558 -6.889 2.303 1.00 42.34 C ATOM 40 C SER A 4 8.765 -6.577 3.176 1.00 25.41 C ATOM 41 O SER A 4 9.875 -6.386 2.675 1.00 72.11 O ATOM 42 CB SER A 4 7.962 -7.882 1.214 1.00 74.12 C ATOM 43 OG SER A 4 6.914 -8.072 0.278 1.00 34.13 O ATOM 0 H SER A 4 7.697 -5.121 1.191 1.00 71.02 H new ATOM 0 HA SER A 4 6.781 -7.328 2.929 1.00 42.34 H new ATOM 0 HB2 SER A 4 8.851 -7.519 0.699 1.00 74.12 H new ATOM 0 HB3 SER A 4 8.225 -8.837 1.669 1.00 74.12 H new ATOM 0 HG SER A 4 7.200 -8.710 -0.408 1.00 34.13 H new ATOM 49 N GLU A 5 8.542 -6.511 4.476 1.00 73.11 N ATOM 50 CA GLU A 5 9.619 -6.305 5.428 1.00 2.22 C ATOM 51 C GLU A 5 9.653 -7.462 6.414 1.00 63.11 C ATOM 52 O GLU A 5 8.809 -7.553 7.310 1.00 33.12 O ATOM 53 CB GLU A 5 9.440 -4.974 6.163 1.00 74.03 C ATOM 54 CG GLU A 5 9.453 -3.767 5.234 1.00 3.23 C ATOM 55 CD GLU A 5 9.205 -2.459 5.955 1.00 61.35 C ATOM 56 OE1 GLU A 5 10.182 -1.824 6.398 1.00 21.51 O ATOM 57 OE2 GLU A 5 8.029 -2.047 6.063 1.00 22.25 O1- ATOM 0 H GLU A 5 7.618 -6.598 4.899 1.00 73.11 H new ATOM 0 HA GLU A 5 10.567 -6.267 4.892 1.00 2.22 H new ATOM 0 HB2 GLU A 5 8.497 -4.993 6.710 1.00 74.03 H new ATOM 0 HB3 GLU A 5 10.235 -4.865 6.901 1.00 74.03 H new ATOM 0 HG2 GLU A 5 10.416 -3.718 4.726 1.00 3.23 H new ATOM 0 HG3 GLU A 5 8.693 -3.900 4.464 1.00 3.23 H new ATOM 64 N GLY A 6 10.610 -8.357 6.229 1.00 13.15 N ATOM 65 CA GLY A 6 10.671 -9.543 7.048 1.00 42.42 C ATOM 66 C GLY A 6 12.039 -10.188 7.047 1.00 52.24 C ATOM 67 O GLY A 6 12.917 -9.809 6.269 1.00 3.43 O ATOM 0 H GLY A 6 11.345 -8.281 5.526 1.00 13.15 H new ATOM 0 HA2 GLY A 6 10.396 -9.287 8.071 1.00 42.42 H new ATOM 0 HA3 GLY A 6 9.935 -10.263 6.691 1.00 42.42 H new ATOM 71 N CYS A 7 12.206 -11.166 7.916 1.00 10.20 N ATOM 72 CA CYS A 7 13.462 -11.877 8.064 1.00 70.11 C ATOM 73 C CYS A 7 13.341 -13.274 7.460 1.00 4.44 C ATOM 74 O CYS A 7 12.268 -13.868 7.478 1.00 72.14 O ATOM 75 CB CYS A 7 13.821 -11.972 9.549 1.00 4.33 C ATOM 76 SG CYS A 7 13.870 -10.365 10.414 1.00 21.12 S ATOM 0 H CYS A 7 11.470 -11.492 8.543 1.00 10.20 H new ATOM 0 HA CYS A 7 14.250 -11.337 7.540 1.00 70.11 H new ATOM 0 HB2 CYS A 7 13.096 -12.617 10.046 1.00 4.33 H new ATOM 0 HB3 CYS A 7 14.794 -12.453 9.646 1.00 4.33 H new ATOM 81 N GLN A 8 14.431 -13.800 6.920 1.00 15.12 N ATOM 82 CA GLN A 8 14.396 -15.119 6.302 1.00 64.14 C ATOM 83 C GLN A 8 14.574 -16.222 7.344 1.00 64.22 C ATOM 84 O GLN A 8 14.740 -15.949 8.538 1.00 1.10 O ATOM 85 CB GLN A 8 15.483 -15.255 5.235 1.00 50.41 C ATOM 86 CG GLN A 8 16.900 -15.131 5.781 1.00 43.35 C ATOM 87 CD GLN A 8 17.959 -15.655 4.822 1.00 51.10 C ATOM 88 OE1 GLN A 8 17.630 -16.698 4.072 1.00 41.23 O flip ATOM 89 NE2 GLN A 8 19.079 -15.146 4.781 1.00 23.50 N flip ATOM 0 H GLN A 8 15.341 -13.340 6.896 1.00 15.12 H new ATOM 0 HA GLN A 8 13.418 -15.227 5.833 1.00 64.14 H new ATOM 0 HB2 GLN A 8 15.377 -16.222 4.743 1.00 50.41 H new ATOM 0 HB3 GLN A 8 15.329 -14.491 4.473 1.00 50.41 H new ATOM 0 HG2 GLN A 8 17.107 -14.084 6.004 1.00 43.35 H new ATOM 0 HG3 GLN A 8 16.969 -15.677 6.722 1.00 43.35 H new ATOM 0 HE21 GLN A 8 19.297 -14.344 5.373 1.00 23.50 H new ATOM 0 HE22 GLN A 8 19.789 -15.526 4.155 1.00 23.50 H new ATOM 98 N ILE A 9 14.558 -17.465 6.873 1.00 54.54 N ATOM 99 CA ILE A 9 14.764 -18.623 7.731 1.00 64.42 C ATOM 100 C ILE A 9 16.254 -18.953 7.830 1.00 73.43 C ATOM 101 O ILE A 9 17.005 -18.795 6.868 1.00 71.43 O ATOM 102 CB ILE A 9 13.978 -19.850 7.203 1.00 54.42 C ATOM 103 CG1 ILE A 9 12.473 -19.621 7.377 1.00 1.03 C ATOM 104 CG2 ILE A 9 14.414 -21.136 7.900 1.00 60.45 C ATOM 105 CD1 ILE A 9 11.624 -20.798 6.948 1.00 23.41 C ATOM 0 H ILE A 9 14.403 -17.696 5.892 1.00 54.54 H new ATOM 0 HA ILE A 9 14.390 -18.379 8.725 1.00 64.42 H new ATOM 0 HB ILE A 9 14.199 -19.965 6.142 1.00 54.42 H new ATOM 0 HG12 ILE A 9 12.267 -19.399 8.424 1.00 1.03 H new ATOM 0 HG13 ILE A 9 12.179 -18.744 6.801 1.00 1.03 H new ATOM 0 HG21 ILE A 9 13.842 -21.976 7.505 1.00 60.45 H new ATOM 0 HG22 ILE A 9 15.476 -21.304 7.722 1.00 60.45 H new ATOM 0 HG23 ILE A 9 14.236 -21.048 8.972 1.00 60.45 H new ATOM 0 HD11 ILE A 9 10.571 -20.562 7.100 1.00 23.41 H new ATOM 0 HD12 ILE A 9 11.800 -21.008 5.893 1.00 23.41 H new ATOM 0 HD13 ILE A 9 11.889 -21.673 7.541 1.00 23.41 H new ATOM 117 N ILE A 10 16.669 -19.390 9.011 1.00 1.44 N ATOM 118 CA ILE A 10 18.066 -19.687 9.282 1.00 53.14 C ATOM 119 C ILE A 10 18.313 -21.194 9.163 1.00 15.30 C ATOM 120 O ILE A 10 17.367 -21.980 9.104 1.00 44.43 O ATOM 121 CB ILE A 10 18.446 -19.196 10.700 1.00 44.30 C ATOM 122 CG1 ILE A 10 17.849 -17.807 10.942 1.00 13.24 C ATOM 123 CG2 ILE A 10 19.959 -19.156 10.884 1.00 25.05 C ATOM 124 CD1 ILE A 10 17.934 -17.346 12.378 1.00 42.33 C ATOM 0 H ILE A 10 16.048 -19.548 9.805 1.00 1.44 H new ATOM 0 HA ILE A 10 18.687 -19.169 8.551 1.00 53.14 H new ATOM 0 HB ILE A 10 18.039 -19.899 11.427 1.00 44.30 H new ATOM 0 HG12 ILE A 10 18.364 -17.085 10.308 1.00 13.24 H new ATOM 0 HG13 ILE A 10 16.803 -17.813 10.634 1.00 13.24 H new ATOM 0 HG21 ILE A 10 20.194 -18.807 11.890 1.00 25.05 H new ATOM 0 HG22 ILE A 10 20.369 -20.156 10.741 1.00 25.05 H new ATOM 0 HG23 ILE A 10 20.397 -18.476 10.153 1.00 25.05 H new ATOM 0 HD11 ILE A 10 17.491 -16.354 12.469 1.00 42.33 H new ATOM 0 HD12 ILE A 10 17.394 -18.045 13.017 1.00 42.33 H new ATOM 0 HD13 ILE A 10 18.979 -17.306 12.686 1.00 42.33 H new ATOM 136 N HIS A 11 19.575 -21.596 9.112 1.00 11.24 N ATOM 137 CA HIS A 11 19.926 -23.008 9.023 1.00 24.14 C ATOM 138 C HIS A 11 20.075 -23.593 10.418 1.00 73.03 C ATOM 139 O HIS A 11 20.617 -22.937 11.304 1.00 11.43 O ATOM 140 CB HIS A 11 21.237 -23.204 8.252 1.00 24.23 C ATOM 141 CG HIS A 11 21.208 -22.704 6.840 1.00 51.10 C ATOM 142 ND1 HIS A 11 20.951 -23.517 5.760 1.00 34.40 N ATOM 143 CD2 HIS A 11 21.427 -21.469 6.331 1.00 73.31 C ATOM 144 CE1 HIS A 11 21.012 -22.805 4.649 1.00 41.44 C ATOM 145 NE2 HIS A 11 21.302 -21.556 4.968 1.00 32.35 N ATOM 0 H HIS A 11 20.375 -20.964 9.131 1.00 11.24 H new ATOM 0 HA HIS A 11 19.126 -23.520 8.488 1.00 24.14 H new ATOM 0 HB2 HIS A 11 22.038 -22.695 8.788 1.00 24.23 H new ATOM 0 HB3 HIS A 11 21.483 -24.266 8.243 1.00 24.23 H new ATOM 0 HD2 HIS A 11 21.658 -20.578 6.895 1.00 73.31 H new ATOM 0 HE1 HIS A 11 20.852 -23.180 3.649 1.00 41.44 H new ATOM 0 HE2 HIS A 11 21.414 -20.785 4.310 1.00 32.35 H new ATOM 154 N PRO A 12 19.571 -24.819 10.640 1.00 62.10 N ATOM 155 CA PRO A 12 19.761 -25.525 11.909 1.00 31.33 C ATOM 156 C PRO A 12 21.202 -26.016 12.064 1.00 62.52 C ATOM 157 O PRO A 12 21.622 -26.967 11.397 1.00 11.24 O ATOM 158 CB PRO A 12 18.790 -26.705 11.811 1.00 52.40 C ATOM 159 CG PRO A 12 18.623 -26.943 10.350 1.00 51.45 C ATOM 160 CD PRO A 12 18.766 -25.600 9.682 1.00 4.22 C ATOM 0 HA PRO A 12 19.575 -24.889 12.774 1.00 31.33 H new ATOM 0 HB2 PRO A 12 19.188 -27.587 12.312 1.00 52.40 H new ATOM 0 HB3 PRO A 12 17.836 -26.473 12.285 1.00 52.40 H new ATOM 0 HG2 PRO A 12 19.374 -27.642 9.982 1.00 51.45 H new ATOM 0 HG3 PRO A 12 17.648 -27.381 10.137 1.00 51.45 H new ATOM 0 HD2 PRO A 12 19.263 -25.684 8.716 1.00 4.22 H new ATOM 0 HD3 PRO A 12 17.796 -25.137 9.502 1.00 4.22 H new ATOM 168 N PRO A 13 21.985 -25.360 12.930 1.00 72.42 N ATOM 169 CA PRO A 13 23.405 -25.639 13.085 1.00 11.03 C ATOM 170 C PRO A 13 23.705 -26.726 14.116 1.00 21.12 C ATOM 171 O PRO A 13 24.034 -27.859 13.766 1.00 10.42 O ATOM 172 CB PRO A 13 23.978 -24.292 13.549 1.00 63.12 C ATOM 173 CG PRO A 13 22.807 -23.448 13.974 1.00 12.24 C ATOM 174 CD PRO A 13 21.558 -24.281 13.821 1.00 11.22 C ATOM 0 HA PRO A 13 23.837 -26.019 12.159 1.00 11.03 H new ATOM 0 HB2 PRO A 13 24.675 -24.432 14.376 1.00 63.12 H new ATOM 0 HB3 PRO A 13 24.532 -23.809 12.744 1.00 63.12 H new ATOM 0 HG2 PRO A 13 22.925 -23.123 15.008 1.00 12.24 H new ATOM 0 HG3 PRO A 13 22.743 -22.548 13.363 1.00 12.24 H new ATOM 0 HD2 PRO A 13 21.209 -24.664 14.780 1.00 11.22 H new ATOM 0 HD3 PRO A 13 20.739 -23.704 13.392 1.00 11.22 H new ATOM 182 N TRP A 14 23.585 -26.375 15.387 1.00 13.53 N ATOM 183 CA TRP A 14 23.931 -27.278 16.472 1.00 55.11 C ATOM 184 C TRP A 14 22.664 -27.914 17.041 1.00 13.40 C ATOM 185 O TRP A 14 21.577 -27.717 16.503 1.00 31.14 O ATOM 186 CB TRP A 14 24.711 -26.522 17.558 1.00 53.25 C ATOM 187 CG TRP A 14 25.522 -27.413 18.452 1.00 30.52 C ATOM 188 CD1 TRP A 14 25.315 -27.657 19.780 1.00 34.14 C ATOM 189 CD2 TRP A 14 26.672 -28.180 18.076 1.00 32.13 C ATOM 190 NE1 TRP A 14 26.261 -28.533 20.250 1.00 11.25 N ATOM 191 CE2 TRP A 14 27.109 -28.866 19.225 1.00 72.24 C ATOM 192 CE3 TRP A 14 27.373 -28.355 16.879 1.00 52.43 C ATOM 193 CZ2 TRP A 14 28.214 -29.714 19.210 1.00 61.11 C ATOM 194 CZ3 TRP A 14 28.473 -29.193 16.867 1.00 24.33 C ATOM 195 CH2 TRP A 14 28.884 -29.864 18.026 1.00 71.42 C ATOM 0 H TRP A 14 23.247 -25.463 15.693 1.00 13.53 H new ATOM 0 HA TRP A 14 24.570 -28.075 16.092 1.00 55.11 H new ATOM 0 HB2 TRP A 14 25.375 -25.801 17.080 1.00 53.25 H new ATOM 0 HB3 TRP A 14 24.009 -25.954 18.168 1.00 53.25 H new ATOM 0 HD1 TRP A 14 24.523 -27.224 20.373 1.00 34.14 H new ATOM 0 HE1 TRP A 14 26.323 -28.880 21.207 1.00 11.25 H new ATOM 0 HE3 TRP A 14 27.061 -27.845 15.980 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 28.531 -30.235 20.101 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 29.024 -29.332 15.949 1.00 24.33 H new ATOM 0 HH2 TRP A 14 29.747 -30.513 17.984 1.00 71.42 H new ATOM 206 N GLU A 15 22.823 -28.714 18.096 1.00 44.34 N ATOM 207 CA GLU A 15 21.701 -29.364 18.778 1.00 22.34 C ATOM 208 C GLU A 15 20.593 -28.364 19.115 1.00 24.33 C ATOM 209 O GLU A 15 19.420 -28.726 19.188 1.00 3.10 O ATOM 210 CB GLU A 15 22.190 -30.037 20.063 1.00 35.12 C ATOM 211 CG GLU A 15 23.350 -30.997 19.852 1.00 53.31 C ATOM 212 CD GLU A 15 22.984 -32.185 18.985 1.00 41.30 C ATOM 213 OE1 GLU A 15 22.587 -33.231 19.541 1.00 63.35 O ATOM 214 OE2 GLU A 15 23.102 -32.083 17.747 1.00 74.13 O1- ATOM 0 H GLU A 15 23.733 -28.930 18.503 1.00 44.34 H new ATOM 0 HA GLU A 15 21.290 -30.113 18.101 1.00 22.34 H new ATOM 0 HB2 GLU A 15 22.493 -29.267 20.772 1.00 35.12 H new ATOM 0 HB3 GLU A 15 21.360 -30.579 20.516 1.00 35.12 H new ATOM 0 HG2 GLU A 15 24.180 -30.460 19.392 1.00 53.31 H new ATOM 0 HG3 GLU A 15 23.699 -31.355 20.821 1.00 53.31 H new ATOM 221 N GLY A 16 20.972 -27.110 19.332 1.00 71.54 N ATOM 222 CA GLY A 16 19.992 -26.074 19.582 1.00 11.25 C ATOM 223 C GLY A 16 19.257 -25.676 18.316 1.00 0.41 C ATOM 224 O GLY A 16 19.799 -24.953 17.478 1.00 33.22 O ATOM 0 H GLY A 16 21.942 -26.794 19.339 1.00 71.54 H new ATOM 0 HA2 GLY A 16 19.274 -26.424 20.324 1.00 11.25 H new ATOM 0 HA3 GLY A 16 20.487 -25.200 20.005 1.00 11.25 H new ATOM 228 N GLY A 17 18.035 -26.166 18.173 1.00 23.54 N ATOM 229 CA GLY A 17 17.238 -25.860 17.005 1.00 23.21 C ATOM 230 C GLY A 17 16.417 -24.603 17.191 1.00 4.21 C ATOM 231 O GLY A 17 16.591 -23.874 18.172 1.00 73.45 O ATOM 0 H GLY A 17 17.578 -26.775 18.852 1.00 23.54 H new ATOM 0 HA2 GLY A 17 17.892 -25.741 16.141 1.00 23.21 H new ATOM 0 HA3 GLY A 17 16.575 -26.698 16.790 1.00 23.21 H new ATOM 235 N ILE A 18 15.502 -24.354 16.269 1.00 13.11 N ATOM 236 CA ILE A 18 14.733 -23.122 16.287 1.00 4.12 C ATOM 237 C ILE A 18 13.251 -23.370 16.504 1.00 21.53 C ATOM 238 O ILE A 18 12.660 -24.296 15.948 1.00 64.33 O ATOM 239 CB ILE A 18 14.968 -22.296 15.003 1.00 60.43 C ATOM 240 CG1 ILE A 18 16.377 -21.718 15.053 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.931 -21.186 14.848 1.00 50.32 C ATOM 242 CD1 ILE A 18 16.715 -20.800 13.894 1.00 70.34 C ATOM 0 H ILE A 18 15.274 -24.986 15.502 1.00 13.11 H new ATOM 0 HA ILE A 18 15.091 -22.543 17.138 1.00 4.12 H new ATOM 0 HB ILE A 18 14.862 -22.947 14.135 1.00 60.43 H new ATOM 0 HG12 ILE A 18 16.498 -21.167 15.986 1.00 33.34 H new ATOM 0 HG13 ILE A 18 17.094 -22.539 15.072 1.00 33.34 H new ATOM 0 HG21 ILE A 18 14.130 -20.627 13.933 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.934 -21.624 14.796 1.00 50.32 H new ATOM 0 HG23 ILE A 18 13.988 -20.513 15.704 1.00 50.32 H new ATOM 0 HD11 ILE A 18 17.735 -20.432 14.007 1.00 70.34 H new ATOM 0 HD12 ILE A 18 16.629 -21.350 12.957 1.00 70.34 H new ATOM 0 HD13 ILE A 18 16.024 -19.957 13.884 1.00 70.34 H new ATOM 254 N ARG A 19 12.676 -22.525 17.337 1.00 44.43 N ATOM 255 CA ARG A 19 11.277 -22.588 17.687 1.00 12.34 C ATOM 256 C ARG A 19 10.594 -21.320 17.206 1.00 54.31 C ATOM 257 O ARG A 19 11.108 -20.227 17.417 1.00 14.40 O ATOM 258 CB ARG A 19 11.161 -22.706 19.201 1.00 21.13 C ATOM 259 CG ARG A 19 9.781 -23.123 19.699 1.00 74.22 C ATOM 260 CD ARG A 19 9.338 -24.442 19.088 1.00 2.13 C ATOM 261 NE ARG A 19 8.136 -24.973 19.732 1.00 34.34 N ATOM 262 CZ ARG A 19 7.047 -25.378 19.078 1.00 15.24 C ATOM 263 NH1 ARG A 19 6.957 -25.232 17.761 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 6.038 -25.911 19.752 1.00 45.00 N ATOM 0 H ARG A 19 13.179 -21.765 17.795 1.00 44.43 H new ATOM 0 HA ARG A 19 10.800 -23.450 17.219 1.00 12.34 H new ATOM 0 HB2 ARG A 19 11.895 -23.431 19.554 1.00 21.13 H new ATOM 0 HB3 ARG A 19 11.420 -21.746 19.648 1.00 21.13 H new ATOM 0 HG2 ARG A 19 9.798 -23.213 20.785 1.00 74.22 H new ATOM 0 HG3 ARG A 19 9.056 -22.347 19.454 1.00 74.22 H new ATOM 0 HD2 ARG A 19 9.146 -24.302 18.024 1.00 2.13 H new ATOM 0 HD3 ARG A 19 10.145 -25.169 19.173 1.00 2.13 H new ATOM 0 HE ARG A 19 8.131 -25.038 20.750 1.00 34.34 H new ATOM 0 HH11 ARG A 19 7.725 -24.807 17.241 1.00 45.21 H new ATOM 0 HH12 ARG A 19 6.120 -25.545 17.269 1.00 45.21 H new ATOM 0 HH21 ARG A 19 6.097 -26.010 20.766 1.00 45.00 H new ATOM 0 HH22 ARG A 19 5.202 -26.223 19.257 1.00 45.00 H new ATOM 278 N TYR A 20 9.458 -21.455 16.551 1.00 74.35 N ATOM 279 CA TYR A 20 8.749 -20.293 16.051 1.00 40.55 C ATOM 280 C TYR A 20 7.727 -19.808 17.072 1.00 34.25 C ATOM 281 O TYR A 20 7.682 -20.306 18.198 1.00 72.21 O ATOM 282 CB TYR A 20 8.093 -20.609 14.704 1.00 12.44 C ATOM 283 CG TYR A 20 9.088 -20.691 13.566 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.866 -21.825 13.373 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.262 -19.623 12.695 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.788 -21.890 12.345 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.176 -19.684 11.665 1.00 52.11 C ATOM 288 CZ TYR A 20 10.937 -20.817 11.494 1.00 34.52 C ATOM 289 OH TYR A 20 11.851 -20.873 10.473 1.00 22.43 O ATOM 0 H TYR A 20 9.009 -22.349 16.354 1.00 74.35 H new ATOM 0 HA TYR A 20 9.464 -19.485 15.893 1.00 40.55 H new ATOM 0 HB2 TYR A 20 7.558 -21.555 14.780 1.00 12.44 H new ATOM 0 HB3 TYR A 20 7.353 -19.841 14.478 1.00 12.44 H new ATOM 0 HD1 TYR A 20 9.749 -22.669 14.036 1.00 24.23 H new ATOM 0 HD2 TYR A 20 8.671 -18.729 12.827 1.00 1.23 H new ATOM 0 HE1 TYR A 20 11.388 -22.777 12.210 1.00 54.01 H new ATOM 0 HE2 TYR A 20 10.294 -18.845 10.995 1.00 52.11 H new ATOM 0 HH TYR A 20 11.955 -21.802 10.178 1.00 22.43 H new ATOM 299 N ARG A 21 6.901 -18.856 16.676 1.00 4.04 N ATOM 300 CA ARG A 21 6.004 -18.191 17.611 1.00 43.13 C ATOM 301 C ARG A 21 4.555 -18.545 17.296 1.00 4.10 C ATOM 302 O ARG A 21 3.759 -18.823 18.192 1.00 52.41 O ATOM 303 CB ARG A 21 6.235 -16.673 17.535 1.00 74.30 C ATOM 304 CG ARG A 21 5.701 -15.879 18.723 1.00 52.33 C ATOM 305 CD ARG A 21 4.253 -15.455 18.530 1.00 1.31 C ATOM 306 NE ARG A 21 4.066 -14.645 17.323 1.00 72.30 N ATOM 307 CZ ARG A 21 4.328 -13.335 17.239 1.00 63.53 C ATOM 308 NH1 ARG A 21 4.895 -12.691 18.255 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 4.042 -12.678 16.117 1.00 24.04 N ATOM 0 H ARG A 21 6.831 -18.524 15.714 1.00 4.04 H new ATOM 0 HA ARG A 21 6.212 -18.529 18.626 1.00 43.13 H new ATOM 0 HB2 ARG A 21 7.305 -16.488 17.445 1.00 74.30 H new ATOM 0 HB3 ARG A 21 5.769 -16.295 16.625 1.00 74.30 H new ATOM 0 HG2 ARG A 21 5.783 -16.483 19.627 1.00 52.33 H new ATOM 0 HG3 ARG A 21 6.319 -14.994 18.873 1.00 52.33 H new ATOM 0 HD2 ARG A 21 3.622 -16.342 18.471 1.00 1.31 H new ATOM 0 HD3 ARG A 21 3.924 -14.887 19.400 1.00 1.31 H new ATOM 0 HE ARG A 21 3.711 -15.112 16.489 1.00 72.30 H new ATOM 0 HH11 ARG A 21 5.135 -13.195 19.109 1.00 42.32 H new ATOM 0 HH12 ARG A 21 5.090 -11.693 18.181 1.00 42.32 H new ATOM 0 HH21 ARG A 21 3.626 -13.173 15.328 1.00 24.04 H new ATOM 0 HH22 ARG A 21 4.239 -11.680 16.046 1.00 24.04 H new ATOM 323 N GLY A 22 4.229 -18.555 16.013 1.00 11.55 N ATOM 324 CA GLY A 22 2.883 -18.869 15.589 1.00 50.05 C ATOM 325 C GLY A 22 2.870 -19.607 14.271 1.00 71.12 C ATOM 326 O GLY A 22 2.256 -19.154 13.309 1.00 54.54 O ATOM 0 H GLY A 22 4.878 -18.350 15.254 1.00 11.55 H new ATOM 0 HA2 GLY A 22 2.394 -19.476 16.351 1.00 50.05 H new ATOM 0 HA3 GLY A 22 2.307 -17.949 15.496 1.00 50.05 H new ATOM 330 N LEU A 23 3.568 -20.732 14.220 1.00 51.01 N ATOM 331 CA LEU A 23 3.626 -21.548 13.014 1.00 52.44 C ATOM 332 C LEU A 23 3.641 -23.027 13.370 1.00 5.12 C ATOM 333 O LEU A 23 4.265 -23.437 14.353 1.00 0.51 O ATOM 334 CB LEU A 23 4.858 -21.200 12.166 1.00 44.13 C ATOM 335 CG LEU A 23 4.758 -19.905 11.356 1.00 45.22 C ATOM 336 CD1 LEU A 23 6.064 -19.633 10.626 1.00 34.31 C ATOM 337 CD2 LEU A 23 3.605 -19.977 10.366 1.00 3.33 C ATOM 0 H LEU A 23 4.105 -21.103 15.004 1.00 51.01 H new ATOM 0 HA LEU A 23 2.734 -21.334 12.426 1.00 52.44 H new ATOM 0 HB2 LEU A 23 5.723 -21.129 12.826 1.00 44.13 H new ATOM 0 HB3 LEU A 23 5.048 -22.024 11.478 1.00 44.13 H new ATOM 0 HG LEU A 23 4.567 -19.084 12.047 1.00 45.22 H new ATOM 0 HD11 LEU A 23 5.976 -18.709 10.055 1.00 34.31 H new ATOM 0 HD12 LEU A 23 6.873 -19.536 11.351 1.00 34.31 H new ATOM 0 HD13 LEU A 23 6.281 -20.459 9.948 1.00 34.31 H new ATOM 0 HD21 LEU A 23 3.552 -19.046 9.801 1.00 3.33 H new ATOM 0 HD22 LEU A 23 3.765 -20.809 9.681 1.00 3.33 H new ATOM 0 HD23 LEU A 23 2.670 -20.127 10.906 1.00 3.33 H new ATOM 349 N THR A 24 2.945 -23.816 12.570 1.00 45.31 N ATOM 350 CA THR A 24 2.859 -25.247 12.787 1.00 75.32 C ATOM 351 C THR A 24 3.835 -25.982 11.862 1.00 64.12 C ATOM 352 O THR A 24 4.570 -25.352 11.094 1.00 23.12 O ATOM 353 CB THR A 24 1.414 -25.746 12.558 1.00 73.21 C ATOM 354 OG1 THR A 24 1.262 -27.084 13.049 1.00 0.00 O ATOM 355 CG2 THR A 24 1.041 -25.695 11.081 1.00 12.52 C ATOM 0 H THR A 24 2.427 -23.484 11.757 1.00 45.31 H new ATOM 0 HA THR A 24 3.133 -25.459 13.821 1.00 75.32 H new ATOM 0 HB THR A 24 0.744 -25.084 13.107 1.00 73.21 H new ATOM 0 HG1 THR A 24 0.342 -27.385 12.898 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.019 -26.052 10.951 1.00 12.52 H new ATOM 0 HG22 THR A 24 1.115 -24.668 10.722 1.00 12.52 H new ATOM 0 HG23 THR A 24 1.722 -26.328 10.512 1.00 12.52 H new ATOM 363 N ARG A 25 3.836 -27.311 11.950 1.00 3.14 N ATOM 364 CA ARG A 25 4.717 -28.155 11.145 1.00 73.32 C ATOM 365 C ARG A 25 4.360 -28.078 9.660 1.00 50.00 C ATOM 366 O ARG A 25 3.509 -27.279 9.261 1.00 5.42 O ATOM 367 CB ARG A 25 4.605 -29.600 11.629 1.00 33.05 C ATOM 368 CG ARG A 25 3.174 -30.117 11.637 1.00 24.32 C ATOM 369 CD ARG A 25 3.077 -31.510 12.225 1.00 10.33 C ATOM 370 NE ARG A 25 1.687 -31.933 12.377 1.00 33.14 N ATOM 371 CZ ARG A 25 1.305 -32.994 13.086 1.00 2.41 C ATOM 372 NH1 ARG A 25 2.208 -33.723 13.729 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 0.019 -33.313 13.170 1.00 62.54 N ATOM 0 H ARG A 25 3.227 -27.832 12.581 1.00 3.14 H new ATOM 0 HA ARG A 25 5.740 -27.797 11.262 1.00 73.32 H new ATOM 0 HB2 ARG A 25 5.213 -30.240 10.989 1.00 33.05 H new ATOM 0 HB3 ARG A 25 5.017 -29.673 12.635 1.00 33.05 H new ATOM 0 HG2 ARG A 25 2.546 -29.436 12.212 1.00 24.32 H new ATOM 0 HG3 ARG A 25 2.786 -30.126 10.618 1.00 24.32 H new ATOM 0 HD2 ARG A 25 3.604 -32.215 11.582 1.00 10.33 H new ATOM 0 HD3 ARG A 25 3.573 -31.531 13.195 1.00 10.33 H new ATOM 0 HE ARG A 25 0.965 -31.382 11.912 1.00 33.14 H new ATOM 0 HH11 ARG A 25 3.195 -33.471 13.681 1.00 13.30 H new ATOM 0 HH12 ARG A 25 1.915 -34.535 14.272 1.00 13.30 H new ATOM 0 HH21 ARG A 25 -0.680 -32.745 12.691 1.00 62.54 H new ATOM 0 HH22 ARG A 25 -0.270 -34.126 13.714 1.00 62.54 H new ATOM 387 N ASP A 26 5.008 -28.932 8.852 1.00 11.55 N ATOM 388 CA ASP A 26 4.835 -28.951 7.387 1.00 13.41 C ATOM 389 C ASP A 26 5.458 -27.710 6.744 1.00 2.54 C ATOM 390 O ASP A 26 6.057 -27.781 5.672 1.00 54.04 O ATOM 391 CB ASP A 26 3.354 -29.069 7.003 1.00 51.21 C ATOM 392 CG ASP A 26 3.139 -29.141 5.504 1.00 14.41 C ATOM 393 OD1 ASP A 26 3.290 -30.241 4.931 1.00 15.50 O ATOM 394 OD2 ASP A 26 2.790 -28.108 4.897 1.00 15.44 O1- ATOM 0 H ASP A 26 5.668 -29.630 9.194 1.00 11.55 H new ATOM 0 HA ASP A 26 5.354 -29.831 7.007 1.00 13.41 H new ATOM 0 HB2 ASP A 26 2.933 -29.960 7.469 1.00 51.21 H new ATOM 0 HB3 ASP A 26 2.811 -28.213 7.403 1.00 51.21 H new ATOM 399 N GLN A 27 5.306 -26.579 7.417 1.00 2.23 N ATOM 400 CA GLN A 27 5.887 -25.322 6.984 1.00 4.51 C ATOM 401 C GLN A 27 7.231 -25.107 7.675 1.00 2.23 C ATOM 402 O GLN A 27 7.898 -26.074 8.029 1.00 21.25 O ATOM 403 CB GLN A 27 4.928 -24.181 7.325 1.00 41.02 C ATOM 404 CG GLN A 27 3.565 -24.329 6.668 1.00 12.33 C ATOM 405 CD GLN A 27 2.534 -23.343 7.191 1.00 33.35 C ATOM 406 OE1 GLN A 27 2.631 -22.980 8.459 1.00 70.15 O flip ATOM 407 NE2 GLN A 27 1.641 -22.923 6.461 1.00 42.30 N flip ATOM 0 H GLN A 27 4.773 -26.510 8.284 1.00 2.23 H new ATOM 0 HA GLN A 27 6.050 -25.345 5.906 1.00 4.51 H new ATOM 0 HB2 GLN A 27 4.800 -24.133 8.406 1.00 41.02 H new ATOM 0 HB3 GLN A 27 5.373 -23.236 7.015 1.00 41.02 H new ATOM 0 HG2 GLN A 27 3.672 -24.195 5.592 1.00 12.33 H new ATOM 0 HG3 GLN A 27 3.201 -25.344 6.828 1.00 12.33 H new ATOM 0 HE21 GLN A 27 1.595 -23.223 5.487 1.00 42.30 H new ATOM 0 HE22 GLN A 27 0.945 -22.274 6.828 1.00 42.30 H new ATOM 416 N VAL A 28 7.614 -23.832 7.831 1.00 40.51 N ATOM 417 CA VAL A 28 8.840 -23.404 8.541 1.00 21.23 C ATOM 418 C VAL A 28 10.116 -24.009 7.947 1.00 20.45 C ATOM 419 O VAL A 28 11.192 -23.923 8.540 1.00 35.23 O ATOM 420 CB VAL A 28 8.788 -23.662 10.080 1.00 75.00 C ATOM 421 CG1 VAL A 28 7.463 -23.195 10.660 1.00 3.34 C ATOM 422 CG2 VAL A 28 9.059 -25.119 10.447 1.00 12.44 C ATOM 0 H VAL A 28 7.074 -23.050 7.462 1.00 40.51 H new ATOM 0 HA VAL A 28 8.877 -22.325 8.391 1.00 21.23 H new ATOM 0 HB VAL A 28 9.593 -23.075 10.523 1.00 75.00 H new ATOM 0 HG11 VAL A 28 7.449 -23.384 11.733 1.00 3.34 H new ATOM 0 HG12 VAL A 28 7.343 -22.127 10.478 1.00 3.34 H new ATOM 0 HG13 VAL A 28 6.646 -23.738 10.185 1.00 3.34 H new ATOM 0 HG21 VAL A 28 9.010 -25.237 11.529 1.00 12.44 H new ATOM 0 HG22 VAL A 28 8.311 -25.758 9.978 1.00 12.44 H new ATOM 0 HG23 VAL A 28 10.051 -25.404 10.096 1.00 12.44 H new ATOM 432 N LYS A 29 10.006 -24.587 6.763 1.00 1.44 N ATOM 433 CA LYS A 29 11.165 -25.133 6.079 1.00 53.22 C ATOM 434 C LYS A 29 11.564 -24.232 4.919 1.00 71.12 C ATOM 435 O LYS A 29 12.751 -24.023 4.658 1.00 33.02 O ATOM 436 CB LYS A 29 10.865 -26.549 5.586 1.00 54.41 C ATOM 437 CG LYS A 29 10.583 -27.532 6.712 1.00 70.52 C ATOM 438 CD LYS A 29 10.113 -28.875 6.179 1.00 33.02 C ATOM 439 CE LYS A 29 11.156 -29.517 5.277 1.00 11.13 C ATOM 440 NZ LYS A 29 10.657 -30.773 4.658 1.00 21.55 N1+ ATOM 0 H LYS A 29 9.127 -24.690 6.256 1.00 1.44 H new ATOM 0 HA LYS A 29 12.000 -25.181 6.778 1.00 53.22 H new ATOM 0 HB2 LYS A 29 10.006 -26.518 4.916 1.00 54.41 H new ATOM 0 HB3 LYS A 29 11.712 -26.910 5.002 1.00 54.41 H new ATOM 0 HG2 LYS A 29 11.485 -27.672 7.308 1.00 70.52 H new ATOM 0 HG3 LYS A 29 9.824 -27.118 7.376 1.00 70.52 H new ATOM 0 HD2 LYS A 29 9.893 -29.541 7.013 1.00 33.02 H new ATOM 0 HD3 LYS A 29 9.184 -28.742 5.624 1.00 33.02 H new ATOM 0 HE2 LYS A 29 11.440 -28.814 4.494 1.00 11.13 H new ATOM 0 HE3 LYS A 29 12.055 -29.730 5.856 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 11.398 -31.179 4.051 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 10.410 -31.453 5.405 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 9.814 -30.566 4.085 1.00 21.55 H new ATOM 454 N ALA A 30 10.566 -23.692 4.231 1.00 52.32 N ATOM 455 CA ALA A 30 10.805 -22.764 3.140 1.00 14.13 C ATOM 456 C ALA A 30 9.847 -21.577 3.221 1.00 61.32 C ATOM 457 O ALA A 30 8.758 -21.604 2.643 1.00 75.11 O ATOM 458 CB ALA A 30 10.674 -23.467 1.797 1.00 4.23 C ATOM 0 H ALA A 30 9.581 -23.884 4.412 1.00 52.32 H new ATOM 0 HA ALA A 30 11.824 -22.388 3.231 1.00 14.13 H new ATOM 0 HB1 ALA A 30 10.857 -22.754 0.993 1.00 4.23 H new ATOM 0 HB2 ALA A 30 11.402 -24.276 1.737 1.00 4.23 H new ATOM 0 HB3 ALA A 30 9.669 -23.876 1.697 1.00 4.23 H new ATOM 464 N ILE A 31 10.247 -20.565 3.984 1.00 25.12 N ATOM 465 CA ILE A 31 9.490 -19.322 4.115 1.00 40.14 C ATOM 466 C ILE A 31 10.459 -18.150 3.998 1.00 74.23 C ATOM 467 O ILE A 31 11.423 -18.057 4.760 1.00 4.24 O ATOM 468 CB ILE A 31 8.736 -19.242 5.466 1.00 34.44 C ATOM 469 CG1 ILE A 31 7.733 -20.393 5.597 1.00 11.21 C ATOM 470 CG2 ILE A 31 8.030 -17.900 5.608 1.00 41.23 C ATOM 471 CD1 ILE A 31 6.986 -20.405 6.915 1.00 3.32 C ATOM 0 H ILE A 31 11.108 -20.582 4.531 1.00 25.12 H new ATOM 0 HA ILE A 31 8.742 -19.288 3.323 1.00 40.14 H new ATOM 0 HB ILE A 31 9.467 -19.333 6.269 1.00 34.44 H new ATOM 0 HG12 ILE A 31 7.012 -20.329 4.782 1.00 11.21 H new ATOM 0 HG13 ILE A 31 8.262 -21.339 5.481 1.00 11.21 H new ATOM 0 HG21 ILE A 31 7.506 -17.864 6.563 1.00 41.23 H new ATOM 0 HG22 ILE A 31 8.765 -17.096 5.566 1.00 41.23 H new ATOM 0 HG23 ILE A 31 7.313 -17.778 4.796 1.00 41.23 H new ATOM 0 HD11 ILE A 31 6.295 -21.248 6.934 1.00 3.32 H new ATOM 0 HD12 ILE A 31 7.697 -20.501 7.735 1.00 3.32 H new ATOM 0 HD13 ILE A 31 6.428 -19.475 7.025 1.00 3.32 H new ATOM 483 N ASN A 32 10.221 -17.274 3.036 1.00 72.34 N ATOM 484 CA ASN A 32 11.199 -16.242 2.710 1.00 15.12 C ATOM 485 C ASN A 32 11.095 -15.005 3.609 1.00 73.04 C ATOM 486 O ASN A 32 12.080 -14.285 3.775 1.00 13.03 O ATOM 487 CB ASN A 32 11.129 -15.842 1.222 1.00 71.30 C ATOM 488 CG ASN A 32 9.941 -14.963 0.843 1.00 3.15 C ATOM 489 OD1 ASN A 32 8.775 -15.225 1.408 1.00 51.12 O flip ATOM 490 ND2 ASN A 32 10.073 -14.070 0.002 1.00 22.03 N flip ATOM 0 H ASN A 32 9.371 -17.253 2.472 1.00 72.34 H new ATOM 0 HA ASN A 32 12.174 -16.689 2.903 1.00 15.12 H new ATOM 0 HB2 ASN A 32 12.048 -15.317 0.959 1.00 71.30 H new ATOM 0 HB3 ASN A 32 11.097 -16.749 0.619 1.00 71.30 H new ATOM 0 HD21 ASN A 32 10.987 -13.893 -0.415 1.00 22.03 H new ATOM 0 HD22 ASN A 32 9.268 -13.508 -0.276 1.00 22.03 H new ATOM 497 N PHE A 33 9.929 -14.746 4.197 1.00 4.32 N ATOM 498 CA PHE A 33 9.772 -13.554 5.030 1.00 60.13 C ATOM 499 C PHE A 33 8.942 -13.807 6.285 1.00 71.25 C ATOM 500 O PHE A 33 7.728 -14.006 6.221 1.00 43.02 O ATOM 501 CB PHE A 33 9.131 -12.411 4.236 1.00 25.12 C ATOM 502 CG PHE A 33 10.064 -11.702 3.294 1.00 51.52 C ATOM 503 CD1 PHE A 33 9.753 -11.580 1.949 1.00 50.10 C ATOM 504 CD2 PHE A 33 11.248 -11.153 3.755 1.00 1.10 C ATOM 505 CE1 PHE A 33 10.606 -10.923 1.084 1.00 3.21 C ATOM 506 CE2 PHE A 33 12.106 -10.496 2.893 1.00 62.54 C ATOM 507 CZ PHE A 33 11.784 -10.381 1.556 1.00 65.33 C ATOM 0 H PHE A 33 9.096 -15.330 4.116 1.00 4.32 H new ATOM 0 HA PHE A 33 10.779 -13.277 5.342 1.00 60.13 H new ATOM 0 HB2 PHE A 33 8.292 -12.809 3.665 1.00 25.12 H new ATOM 0 HB3 PHE A 33 8.722 -11.684 4.937 1.00 25.12 H new ATOM 0 HD1 PHE A 33 8.833 -12.003 1.573 1.00 50.10 H new ATOM 0 HD2 PHE A 33 11.505 -11.239 4.801 1.00 1.10 H new ATOM 0 HE1 PHE A 33 10.351 -10.833 0.038 1.00 3.21 H new ATOM 0 HE2 PHE A 33 13.027 -10.073 3.265 1.00 62.54 H new ATOM 0 HZ PHE A 33 12.453 -9.868 0.881 1.00 65.33 H new ATOM 517 N LEU A 34 9.614 -13.793 7.425 1.00 45.21 N ATOM 518 CA LEU A 34 8.947 -13.700 8.712 1.00 44.33 C ATOM 519 C LEU A 34 8.777 -12.222 9.042 1.00 61.32 C ATOM 520 O LEU A 34 9.762 -11.525 9.264 1.00 5.11 O ATOM 521 CB LEU A 34 9.754 -14.399 9.821 1.00 2.10 C ATOM 522 CG LEU A 34 9.779 -15.934 9.784 1.00 42.44 C ATOM 523 CD1 LEU A 34 8.370 -16.499 9.725 1.00 10.42 C ATOM 524 CD2 LEU A 34 10.613 -16.450 8.620 1.00 73.11 C ATOM 0 H LEU A 34 10.631 -13.845 7.484 1.00 45.21 H new ATOM 0 HA LEU A 34 7.981 -14.201 8.656 1.00 44.33 H new ATOM 0 HB2 LEU A 34 10.782 -14.039 9.774 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.351 -14.087 10.785 1.00 2.10 H new ATOM 0 HG LEU A 34 10.248 -16.276 10.707 1.00 42.44 H new ATOM 0 HD11 LEU A 34 8.415 -17.588 9.700 1.00 10.42 H new ATOM 0 HD12 LEU A 34 7.813 -16.179 10.606 1.00 10.42 H new ATOM 0 HD13 LEU A 34 7.870 -16.136 8.827 1.00 10.42 H new ATOM 0 HD21 LEU A 34 10.609 -17.540 8.624 1.00 73.11 H new ATOM 0 HD22 LEU A 34 10.191 -16.089 7.682 1.00 73.11 H new ATOM 0 HD23 LEU A 34 11.637 -16.091 8.719 1.00 73.11 H new ATOM 536 N PRO A 35 7.530 -11.725 9.057 1.00 32.22 N ATOM 537 CA PRO A 35 7.240 -10.284 9.169 1.00 5.03 C ATOM 538 C PRO A 35 7.804 -9.643 10.434 1.00 10.23 C ATOM 539 O PRO A 35 7.976 -10.308 11.460 1.00 63.24 O ATOM 540 CB PRO A 35 5.706 -10.222 9.185 1.00 22.10 C ATOM 541 CG PRO A 35 5.263 -11.599 9.551 1.00 24.21 C ATOM 542 CD PRO A 35 6.298 -12.524 8.986 1.00 34.40 C ATOM 0 HA PRO A 35 7.703 -9.731 8.352 1.00 5.03 H new ATOM 0 HB2 PRO A 35 5.349 -9.488 9.908 1.00 22.10 H new ATOM 0 HB3 PRO A 35 5.314 -9.928 8.212 1.00 22.10 H new ATOM 0 HG2 PRO A 35 5.187 -11.711 10.633 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.278 -11.816 9.138 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.379 -13.443 9.567 1.00 34.40 H new ATOM 0 HD3 PRO A 35 6.064 -12.814 7.962 1.00 34.40 H new ATOM 550 N VAL A 36 8.097 -8.344 10.340 1.00 60.55 N ATOM 551 CA VAL A 36 8.557 -7.566 11.486 1.00 53.33 C ATOM 552 C VAL A 36 7.494 -7.547 12.584 1.00 1.10 C ATOM 553 O VAL A 36 6.559 -6.740 12.560 1.00 72.31 O ATOM 554 CB VAL A 36 8.953 -6.122 11.076 1.00 4.21 C ATOM 555 CG1 VAL A 36 7.873 -5.467 10.223 1.00 64.12 C ATOM 556 CG2 VAL A 36 9.254 -5.269 12.304 1.00 25.11 C ATOM 0 H VAL A 36 8.022 -7.809 9.475 1.00 60.55 H new ATOM 0 HA VAL A 36 9.451 -8.051 11.878 1.00 53.33 H new ATOM 0 HB VAL A 36 9.859 -6.192 10.474 1.00 4.21 H new ATOM 0 HG11 VAL A 36 8.184 -4.457 9.954 1.00 64.12 H new ATOM 0 HG12 VAL A 36 7.720 -6.053 9.317 1.00 64.12 H new ATOM 0 HG13 VAL A 36 6.941 -5.422 10.787 1.00 64.12 H new ATOM 0 HG21 VAL A 36 9.529 -4.262 11.989 1.00 25.11 H new ATOM 0 HG22 VAL A 36 8.370 -5.222 12.940 1.00 25.11 H new ATOM 0 HG23 VAL A 36 10.079 -5.713 12.862 1.00 25.11 H new ATOM 566 N ASP A 37 7.653 -8.475 13.520 1.00 75.53 N ATOM 567 CA ASP A 37 6.699 -8.715 14.605 1.00 0.24 C ATOM 568 C ASP A 37 6.953 -10.101 15.167 1.00 61.43 C ATOM 569 O ASP A 37 6.734 -10.370 16.348 1.00 74.15 O ATOM 570 CB ASP A 37 5.246 -8.650 14.111 1.00 1.03 C ATOM 571 CG ASP A 37 4.240 -8.875 15.221 1.00 73.54 C ATOM 572 OD1 ASP A 37 3.841 -7.888 15.872 1.00 11.24 O ATOM 573 OD2 ASP A 37 3.840 -10.036 15.447 1.00 24.30 O1- ATOM 0 H ASP A 37 8.462 -9.095 13.550 1.00 75.53 H new ATOM 0 HA ASP A 37 6.838 -7.942 15.361 1.00 0.24 H new ATOM 0 HB2 ASP A 37 5.065 -7.677 13.654 1.00 1.03 H new ATOM 0 HB3 ASP A 37 5.097 -9.400 13.334 1.00 1.03 H new ATOM 578 N TYR A 38 7.431 -10.974 14.290 1.00 64.13 N ATOM 579 CA TYR A 38 7.612 -12.377 14.612 1.00 64.04 C ATOM 580 C TYR A 38 8.810 -12.598 15.534 1.00 13.41 C ATOM 581 O TYR A 38 9.815 -11.887 15.453 1.00 72.14 O ATOM 582 CB TYR A 38 7.783 -13.177 13.321 1.00 31.23 C ATOM 583 CG TYR A 38 7.324 -14.605 13.450 1.00 53.15 C ATOM 584 CD1 TYR A 38 8.202 -15.611 13.822 1.00 63.21 C ATOM 585 CD2 TYR A 38 5.999 -14.941 13.215 1.00 42.20 C ATOM 586 CE1 TYR A 38 7.769 -16.911 13.962 1.00 51.34 C ATOM 587 CE2 TYR A 38 5.562 -16.240 13.346 1.00 74.11 C ATOM 588 CZ TYR A 38 6.449 -17.217 13.720 1.00 52.12 C ATOM 589 OH TYR A 38 6.012 -18.509 13.867 1.00 52.04 O ATOM 0 H TYR A 38 7.703 -10.727 13.338 1.00 64.13 H new ATOM 0 HA TYR A 38 6.725 -12.721 15.145 1.00 64.04 H new ATOM 0 HB2 TYR A 38 7.223 -12.692 12.522 1.00 31.23 H new ATOM 0 HB3 TYR A 38 8.833 -13.163 13.028 1.00 31.23 H new ATOM 0 HD1 TYR A 38 9.239 -15.372 14.004 1.00 63.21 H new ATOM 0 HD2 TYR A 38 5.299 -14.171 12.925 1.00 42.20 H new ATOM 0 HE1 TYR A 38 8.461 -17.685 14.260 1.00 51.34 H new ATOM 0 HE2 TYR A 38 4.528 -16.488 13.156 1.00 74.11 H new ATOM 0 HH TYR A 38 6.473 -19.086 13.223 1.00 52.04 H new ATOM 599 N GLU A 39 8.687 -13.597 16.403 1.00 24.42 N ATOM 600 CA GLU A 39 9.734 -13.945 17.355 1.00 12.31 C ATOM 601 C GLU A 39 10.092 -15.423 17.216 1.00 14.54 C ATOM 602 O GLU A 39 9.243 -16.230 16.841 1.00 3.41 O ATOM 603 CB GLU A 39 9.249 -13.691 18.784 1.00 45.13 C ATOM 604 CG GLU A 39 8.640 -12.315 19.000 1.00 72.52 C ATOM 605 CD GLU A 39 7.968 -12.192 20.352 1.00 31.14 C ATOM 606 OE1 GLU A 39 6.875 -12.768 20.529 1.00 5.53 O ATOM 607 OE2 GLU A 39 8.529 -11.518 21.243 1.00 51.15 O1- ATOM 0 H GLU A 39 7.858 -14.188 16.466 1.00 24.42 H new ATOM 0 HA GLU A 39 10.609 -13.330 17.148 1.00 12.31 H new ATOM 0 HB2 GLU A 39 8.510 -14.448 19.045 1.00 45.13 H new ATOM 0 HB3 GLU A 39 10.088 -13.816 19.468 1.00 45.13 H new ATOM 0 HG2 GLU A 39 9.419 -11.557 18.913 1.00 72.52 H new ATOM 0 HG3 GLU A 39 7.911 -12.115 18.215 1.00 72.52 H new ATOM 614 N ILE A 40 11.336 -15.772 17.513 1.00 4.54 N ATOM 615 CA ILE A 40 11.747 -17.172 17.535 1.00 42.33 C ATOM 616 C ILE A 40 12.544 -17.485 18.798 1.00 75.11 C ATOM 617 O ILE A 40 13.240 -16.619 19.342 1.00 0.45 O ATOM 618 CB ILE A 40 12.589 -17.568 16.300 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.803 -16.654 16.161 1.00 63.20 C ATOM 620 CG2 ILE A 40 11.740 -17.540 15.037 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.769 -17.083 15.082 1.00 11.34 C ATOM 0 H ILE A 40 12.077 -15.109 17.741 1.00 4.54 H new ATOM 0 HA ILE A 40 10.827 -17.756 17.519 1.00 42.33 H new ATOM 0 HB ILE A 40 12.947 -18.588 16.443 1.00 22.13 H new ATOM 0 HG12 ILE A 40 13.461 -15.641 15.948 1.00 63.20 H new ATOM 0 HG13 ILE A 40 14.330 -16.618 17.114 1.00 63.20 H new ATOM 0 HG21 ILE A 40 12.352 -17.822 14.181 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.913 -18.243 15.139 1.00 63.11 H new ATOM 0 HG23 ILE A 40 11.346 -16.535 14.886 1.00 63.11 H new ATOM 0 HD11 ILE A 40 15.605 -16.385 15.044 1.00 11.34 H new ATOM 0 HD12 ILE A 40 15.141 -18.083 15.304 1.00 11.34 H new ATOM 0 HD13 ILE A 40 14.259 -17.091 14.119 1.00 11.34 H new ATOM 633 N GLU A 41 12.430 -18.724 19.251 1.00 61.12 N ATOM 634 CA GLU A 41 13.146 -19.204 20.423 1.00 13.03 C ATOM 635 C GLU A 41 14.071 -20.352 20.018 1.00 60.15 C ATOM 636 O GLU A 41 14.019 -20.818 18.881 1.00 54.15 O ATOM 637 CB GLU A 41 12.147 -19.657 21.497 1.00 74.33 C ATOM 638 CG GLU A 41 12.781 -19.988 22.841 1.00 15.40 C ATOM 639 CD GLU A 41 11.757 -20.338 23.902 1.00 2.52 C ATOM 640 OE1 GLU A 41 11.452 -19.466 24.742 1.00 21.53 O ATOM 641 OE2 GLU A 41 11.260 -21.483 23.906 1.00 65.45 O1- ATOM 0 H GLU A 41 11.835 -19.428 18.814 1.00 61.12 H new ATOM 0 HA GLU A 41 13.751 -18.399 20.840 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.406 -18.871 21.642 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.614 -20.535 21.134 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.469 -20.824 22.717 1.00 15.40 H new ATOM 0 HG3 GLU A 41 13.371 -19.136 23.179 1.00 15.40 H new ATOM 648 N TYR A 42 14.926 -20.791 20.931 1.00 75.13 N ATOM 649 CA TYR A 42 15.860 -21.871 20.648 1.00 70.02 C ATOM 650 C TYR A 42 15.539 -23.108 21.478 1.00 70.13 C ATOM 651 O TYR A 42 15.857 -23.172 22.662 1.00 31.24 O ATOM 652 CB TYR A 42 17.299 -21.425 20.919 1.00 71.13 C ATOM 653 CG TYR A 42 17.806 -20.373 19.958 1.00 14.45 C ATOM 654 CD1 TYR A 42 18.620 -20.721 18.887 1.00 42.45 C ATOM 655 CD2 TYR A 42 17.471 -19.036 20.121 1.00 74.53 C ATOM 656 CE1 TYR A 42 19.087 -19.766 18.007 1.00 52.40 C ATOM 657 CE2 TYR A 42 17.931 -18.076 19.244 1.00 60.14 C ATOM 658 CZ TYR A 42 18.740 -18.444 18.190 1.00 71.20 C ATOM 659 OH TYR A 42 19.204 -17.486 17.319 1.00 33.12 O ATOM 0 H TYR A 42 14.992 -20.414 21.877 1.00 75.13 H new ATOM 0 HA TYR A 42 15.759 -22.126 19.593 1.00 70.02 H new ATOM 0 HB2 TYR A 42 17.363 -21.036 21.935 1.00 71.13 H new ATOM 0 HB3 TYR A 42 17.954 -22.295 20.869 1.00 71.13 H new ATOM 0 HD1 TYR A 42 18.892 -21.756 18.741 1.00 42.45 H new ATOM 0 HD2 TYR A 42 16.840 -18.743 20.947 1.00 74.53 H new ATOM 0 HE1 TYR A 42 19.720 -20.052 17.180 1.00 52.40 H new ATOM 0 HE2 TYR A 42 17.659 -17.040 19.382 1.00 60.14 H new ATOM 0 HH TYR A 42 18.658 -17.492 16.505 1.00 33.12 H new ATOM 669 N VAL A 43 14.886 -24.077 20.859 1.00 14.33 N ATOM 670 CA VAL A 43 14.614 -25.344 21.518 1.00 13.01 C ATOM 671 C VAL A 43 15.666 -26.371 21.123 1.00 43.53 C ATOM 672 O VAL A 43 15.979 -26.536 19.947 1.00 23.35 O ATOM 673 CB VAL A 43 13.203 -25.885 21.191 1.00 2.42 C ATOM 674 CG1 VAL A 43 12.137 -25.037 21.869 1.00 12.10 C ATOM 675 CG2 VAL A 43 12.970 -25.941 19.686 1.00 10.23 C ATOM 0 H VAL A 43 14.535 -24.011 19.904 1.00 14.33 H new ATOM 0 HA VAL A 43 14.654 -25.166 22.593 1.00 13.01 H new ATOM 0 HB VAL A 43 13.134 -26.902 21.577 1.00 2.42 H new ATOM 0 HG11 VAL A 43 11.150 -25.432 21.628 1.00 12.10 H new ATOM 0 HG12 VAL A 43 12.284 -25.062 22.949 1.00 12.10 H new ATOM 0 HG13 VAL A 43 12.212 -24.008 21.517 1.00 12.10 H new ATOM 0 HG21 VAL A 43 11.970 -26.325 19.487 1.00 10.23 H new ATOM 0 HG22 VAL A 43 13.064 -24.940 19.266 1.00 10.23 H new ATOM 0 HG23 VAL A 43 13.709 -26.598 19.228 1.00 10.23 H new ATOM 685 N CYS A 44 16.212 -27.061 22.105 1.00 44.41 N ATOM 686 CA CYS A 44 17.315 -27.976 21.861 1.00 33.42 C ATOM 687 C CYS A 44 16.804 -29.363 21.524 1.00 23.24 C ATOM 688 O CYS A 44 15.740 -29.782 21.984 1.00 51.42 O ATOM 689 CB CYS A 44 18.236 -28.013 23.080 1.00 2.24 C ATOM 690 SG CYS A 44 19.785 -28.951 22.852 1.00 3.51 S ATOM 0 H CYS A 44 15.912 -27.007 23.078 1.00 44.41 H new ATOM 0 HA CYS A 44 17.884 -27.618 21.003 1.00 33.42 H new ATOM 0 HB2 CYS A 44 18.487 -26.989 23.358 1.00 2.24 H new ATOM 0 HB3 CYS A 44 17.688 -28.445 23.917 1.00 2.24 H new ATOM 695 N ARG A 45 17.575 -30.047 20.695 1.00 62.05 N ATOM 696 CA ARG A 45 17.220 -31.358 20.191 1.00 5.01 C ATOM 697 C ARG A 45 17.028 -32.343 21.339 1.00 54.03 C ATOM 698 O ARG A 45 17.849 -32.417 22.255 1.00 24.32 O ATOM 699 CB ARG A 45 18.310 -31.829 19.220 1.00 71.44 C ATOM 700 CG ARG A 45 17.953 -33.081 18.447 1.00 42.32 C ATOM 701 CD ARG A 45 18.293 -34.332 19.236 1.00 12.32 C ATOM 702 NE ARG A 45 17.968 -35.559 18.521 1.00 32.41 N ATOM 703 CZ ARG A 45 18.557 -36.727 18.755 1.00 70.05 C ATOM 704 NH1 ARG A 45 19.528 -36.817 19.657 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 18.170 -37.801 18.086 1.00 35.41 N ATOM 0 H ARG A 45 18.472 -29.703 20.352 1.00 62.05 H new ATOM 0 HA ARG A 45 16.272 -31.303 19.656 1.00 5.01 H new ATOM 0 HB2 ARG A 45 18.522 -31.027 18.513 1.00 71.44 H new ATOM 0 HB3 ARG A 45 19.227 -32.011 19.781 1.00 71.44 H new ATOM 0 HG2 ARG A 45 16.889 -33.075 18.212 1.00 42.32 H new ATOM 0 HG3 ARG A 45 18.489 -33.090 17.498 1.00 42.32 H new ATOM 0 HD2 ARG A 45 19.357 -34.327 19.474 1.00 12.32 H new ATOM 0 HD3 ARG A 45 17.754 -34.316 20.183 1.00 12.32 H new ATOM 0 HE ARG A 45 17.248 -35.519 17.800 1.00 32.41 H new ATOM 0 HH11 ARG A 45 19.824 -35.988 20.173 1.00 54.35 H new ATOM 0 HH12 ARG A 45 19.978 -37.715 19.834 1.00 54.35 H new ATOM 0 HH21 ARG A 45 17.423 -37.730 17.395 1.00 35.41 H new ATOM 0 HH22 ARG A 45 18.618 -38.700 18.261 1.00 35.41 H new ATOM 719 N GLY A 46 15.941 -33.099 21.271 1.00 62.21 N ATOM 720 CA GLY A 46 15.574 -33.979 22.355 1.00 35.13 C ATOM 721 C GLY A 46 14.754 -33.240 23.388 1.00 50.42 C ATOM 722 O GLY A 46 13.676 -32.730 23.078 1.00 24.32 O ATOM 0 H GLY A 46 15.303 -33.116 20.475 1.00 62.21 H new ATOM 0 HA2 GLY A 46 15.004 -34.824 21.968 1.00 35.13 H new ATOM 0 HA3 GLY A 46 16.472 -34.386 22.820 1.00 35.13 H new ATOM 726 N GLU A 47 15.261 -33.178 24.607 1.00 62.41 N ATOM 727 CA GLU A 47 14.646 -32.375 25.652 1.00 21.42 C ATOM 728 C GLU A 47 15.723 -31.715 26.495 1.00 12.53 C ATOM 729 O GLU A 47 16.131 -32.233 27.537 1.00 4.41 O ATOM 730 CB GLU A 47 13.707 -33.209 26.526 1.00 22.13 C ATOM 731 CG GLU A 47 12.419 -33.597 25.818 1.00 11.01 C ATOM 732 CD GLU A 47 11.455 -34.344 26.710 1.00 54.23 C ATOM 733 OE1 GLU A 47 10.827 -33.708 27.581 1.00 31.03 O ATOM 734 OE2 GLU A 47 11.301 -35.570 26.531 1.00 71.43 O1- ATOM 0 H GLU A 47 16.101 -33.677 24.899 1.00 62.41 H new ATOM 0 HA GLU A 47 14.042 -31.602 25.177 1.00 21.42 H new ATOM 0 HB2 GLU A 47 14.225 -34.113 26.845 1.00 22.13 H new ATOM 0 HB3 GLU A 47 13.464 -32.646 27.427 1.00 22.13 H new ATOM 0 HG2 GLU A 47 11.933 -32.697 25.441 1.00 11.01 H new ATOM 0 HG3 GLU A 47 12.659 -34.216 24.953 1.00 11.01 H new ATOM 741 N ARG A 48 16.221 -30.589 26.003 1.00 3.22 N ATOM 742 CA ARG A 48 17.256 -29.837 26.692 1.00 11.31 C ATOM 743 C ARG A 48 16.890 -28.360 26.732 1.00 51.34 C ATOM 744 O ARG A 48 16.547 -27.770 25.704 1.00 74.21 O ATOM 745 CB ARG A 48 18.609 -30.006 25.989 1.00 14.32 C ATOM 746 CG ARG A 48 19.164 -31.419 26.017 1.00 42.31 C ATOM 747 CD ARG A 48 19.479 -31.866 27.434 1.00 42.54 C ATOM 748 NE ARG A 48 20.142 -33.166 27.459 1.00 62.44 N ATOM 749 CZ ARG A 48 20.370 -33.869 28.566 1.00 10.24 C ATOM 750 NH1 ARG A 48 19.994 -33.403 29.754 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 20.983 -35.041 28.484 1.00 20.12 N ATOM 0 H ARG A 48 15.920 -30.175 25.121 1.00 3.22 H new ATOM 0 HA ARG A 48 17.335 -30.221 27.709 1.00 11.31 H new ATOM 0 HB2 ARG A 48 18.506 -29.691 24.951 1.00 14.32 H new ATOM 0 HB3 ARG A 48 19.332 -29.336 26.455 1.00 14.32 H new ATOM 0 HG2 ARG A 48 18.442 -32.103 25.571 1.00 42.31 H new ATOM 0 HG3 ARG A 48 20.068 -31.468 25.410 1.00 42.31 H new ATOM 0 HD2 ARG A 48 20.116 -31.124 27.916 1.00 42.54 H new ATOM 0 HD3 ARG A 48 18.556 -31.918 28.012 1.00 42.54 H new ATOM 0 HE ARG A 48 20.451 -33.561 26.571 1.00 62.44 H new ATOM 0 HH11 ARG A 48 19.526 -32.499 29.823 1.00 25.54 H new ATOM 0 HH12 ARG A 48 20.173 -33.950 30.596 1.00 25.54 H new ATOM 0 HH21 ARG A 48 21.278 -35.400 27.576 1.00 20.12 H new ATOM 0 HH22 ARG A 48 21.160 -35.584 29.329 1.00 20.12 H new ATOM 765 N GLU A 49 16.962 -27.769 27.908 1.00 44.11 N ATOM 766 CA GLU A 49 16.679 -26.355 28.069 1.00 30.02 C ATOM 767 C GLU A 49 17.935 -25.540 27.799 1.00 63.13 C ATOM 768 O GLU A 49 19.040 -25.933 28.185 1.00 72.31 O ATOM 769 CB GLU A 49 16.156 -26.075 29.474 1.00 5.24 C ATOM 770 CG GLU A 49 14.830 -26.755 29.768 1.00 21.11 C ATOM 771 CD GLU A 49 14.425 -26.619 31.217 1.00 74.41 C ATOM 772 OE1 GLU A 49 13.738 -25.637 31.564 1.00 50.41 O ATOM 773 OE2 GLU A 49 14.804 -27.489 32.022 1.00 41.04 O1- ATOM 0 H GLU A 49 17.216 -28.249 28.772 1.00 44.11 H new ATOM 0 HA GLU A 49 15.911 -26.066 27.352 1.00 30.02 H new ATOM 0 HB2 GLU A 49 16.896 -26.407 30.202 1.00 5.24 H new ATOM 0 HB3 GLU A 49 16.041 -24.999 29.604 1.00 5.24 H new ATOM 0 HG2 GLU A 49 14.055 -26.324 29.134 1.00 21.11 H new ATOM 0 HG3 GLU A 49 14.901 -27.812 29.511 1.00 21.11 H new ATOM 780 N VAL A 50 17.769 -24.420 27.119 1.00 34.14 N ATOM 781 CA VAL A 50 18.894 -23.567 26.777 1.00 54.31 C ATOM 782 C VAL A 50 19.029 -22.415 27.765 1.00 4.42 C ATOM 783 O VAL A 50 18.069 -21.689 28.028 1.00 41.03 O ATOM 784 CB VAL A 50 18.774 -23.001 25.338 1.00 15.41 C ATOM 785 CG1 VAL A 50 18.854 -24.116 24.307 1.00 14.02 C ATOM 786 CG2 VAL A 50 17.482 -22.211 25.161 1.00 31.42 C ATOM 0 H VAL A 50 16.865 -24.079 26.792 1.00 34.14 H new ATOM 0 HA VAL A 50 19.786 -24.191 26.828 1.00 54.31 H new ATOM 0 HB VAL A 50 19.613 -22.323 25.182 1.00 15.41 H new ATOM 0 HG11 VAL A 50 18.767 -23.693 23.306 1.00 14.02 H new ATOM 0 HG12 VAL A 50 19.810 -24.631 24.402 1.00 14.02 H new ATOM 0 HG13 VAL A 50 18.042 -24.824 24.473 1.00 14.02 H new ATOM 0 HG21 VAL A 50 17.427 -21.827 24.142 1.00 31.42 H new ATOM 0 HG22 VAL A 50 16.629 -22.862 25.350 1.00 31.42 H new ATOM 0 HG23 VAL A 50 17.466 -21.378 25.864 1.00 31.42 H new ATOM 796 N VAL A 51 20.216 -22.252 28.327 1.00 23.20 N ATOM 797 CA VAL A 51 20.472 -21.107 29.179 1.00 2.24 C ATOM 798 C VAL A 51 21.198 -20.033 28.375 1.00 12.52 C ATOM 799 O VAL A 51 22.419 -20.057 28.196 1.00 73.23 O ATOM 800 CB VAL A 51 21.271 -21.498 30.449 1.00 35.20 C ATOM 801 CG1 VAL A 51 22.510 -22.310 30.094 1.00 24.00 C ATOM 802 CG2 VAL A 51 21.645 -20.260 31.253 1.00 4.13 C ATOM 0 H VAL A 51 21.005 -22.888 28.210 1.00 23.20 H new ATOM 0 HA VAL A 51 19.517 -20.711 29.525 1.00 2.24 H new ATOM 0 HB VAL A 51 20.630 -22.126 31.067 1.00 35.20 H new ATOM 0 HG11 VAL A 51 23.049 -22.569 31.005 1.00 24.00 H new ATOM 0 HG12 VAL A 51 22.211 -23.222 29.577 1.00 24.00 H new ATOM 0 HG13 VAL A 51 23.157 -21.721 29.445 1.00 24.00 H new ATOM 0 HG21 VAL A 51 22.205 -20.557 32.140 1.00 4.13 H new ATOM 0 HG22 VAL A 51 22.259 -19.600 30.640 1.00 4.13 H new ATOM 0 HG23 VAL A 51 20.739 -19.735 31.555 1.00 4.13 H new ATOM 812 N GLY A 52 20.409 -19.127 27.838 1.00 43.00 N ATOM 813 CA GLY A 52 20.936 -18.035 27.061 1.00 12.21 C ATOM 814 C GLY A 52 19.977 -16.869 27.033 1.00 21.54 C ATOM 815 O GLY A 52 18.835 -17.005 27.479 1.00 21.14 O ATOM 0 H GLY A 52 19.393 -19.129 27.929 1.00 43.00 H new ATOM 0 HA2 GLY A 52 21.890 -17.714 27.480 1.00 12.21 H new ATOM 0 HA3 GLY A 52 21.132 -18.372 26.043 1.00 12.21 H new ATOM 819 N PRO A 53 20.395 -15.713 26.507 1.00 41.45 N ATOM 820 CA PRO A 53 19.481 -14.609 26.203 1.00 13.20 C ATOM 821 C PRO A 53 18.640 -14.942 24.968 1.00 34.33 C ATOM 822 O PRO A 53 18.612 -14.190 23.991 1.00 53.40 O ATOM 823 CB PRO A 53 20.412 -13.418 25.916 1.00 30.31 C ATOM 824 CG PRO A 53 21.794 -13.880 26.258 1.00 70.42 C ATOM 825 CD PRO A 53 21.781 -15.379 26.172 1.00 22.42 C ATOM 0 HA PRO A 53 18.781 -14.406 27.013 1.00 13.20 H new ATOM 0 HB2 PRO A 53 20.349 -13.117 24.870 1.00 30.31 H new ATOM 0 HB3 PRO A 53 20.132 -12.551 26.514 1.00 30.31 H new ATOM 0 HG2 PRO A 53 22.525 -13.459 25.568 1.00 70.42 H new ATOM 0 HG3 PRO A 53 22.075 -13.552 27.259 1.00 70.42 H new ATOM 0 HD2 PRO A 53 22.052 -15.729 25.176 1.00 22.42 H new ATOM 0 HD3 PRO A 53 22.486 -15.830 26.871 1.00 22.42 H new ATOM 833 N LYS A 54 17.956 -16.083 25.027 1.00 53.33 N ATOM 834 CA LYS A 54 17.267 -16.639 23.872 1.00 53.43 C ATOM 835 C LYS A 54 16.016 -15.849 23.495 1.00 54.24 C ATOM 836 O LYS A 54 14.937 -16.041 24.047 1.00 72.35 O ATOM 837 CB LYS A 54 16.954 -18.136 24.088 1.00 14.34 C ATOM 838 CG LYS A 54 16.397 -18.506 25.467 1.00 2.25 C ATOM 839 CD LYS A 54 14.873 -18.480 25.506 1.00 62.01 C ATOM 840 CE LYS A 54 14.331 -19.014 26.822 1.00 22.54 C ATOM 841 NZ LYS A 54 12.850 -18.908 26.895 1.00 20.32 N1+ ATOM 0 H LYS A 54 17.866 -16.643 25.874 1.00 53.33 H new ATOM 0 HA LYS A 54 17.945 -16.553 23.023 1.00 53.43 H new ATOM 0 HB2 LYS A 54 16.237 -18.451 23.330 1.00 14.34 H new ATOM 0 HB3 LYS A 54 17.867 -18.707 23.920 1.00 14.34 H new ATOM 0 HG2 LYS A 54 16.748 -19.501 25.742 1.00 2.25 H new ATOM 0 HG3 LYS A 54 16.788 -17.813 26.212 1.00 2.25 H new ATOM 0 HD2 LYS A 54 14.523 -17.458 25.357 1.00 62.01 H new ATOM 0 HD3 LYS A 54 14.478 -19.075 24.683 1.00 62.01 H new ATOM 0 HE2 LYS A 54 14.627 -20.056 26.940 1.00 22.54 H new ATOM 0 HE3 LYS A 54 14.776 -18.461 27.649 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 12.506 -19.417 27.734 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 12.576 -17.907 26.961 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 12.430 -19.326 26.040 1.00 20.32 H new ATOM 855 N VAL A 55 16.188 -14.915 22.581 1.00 2.14 N ATOM 856 CA VAL A 55 15.068 -14.215 21.981 1.00 11.43 C ATOM 857 C VAL A 55 15.507 -13.554 20.683 1.00 43.22 C ATOM 858 O VAL A 55 16.521 -12.856 20.636 1.00 65.24 O ATOM 859 CB VAL A 55 14.455 -13.160 22.937 1.00 34.24 C ATOM 860 CG1 VAL A 55 15.492 -12.132 23.366 1.00 71.14 C ATOM 861 CG2 VAL A 55 13.258 -12.478 22.289 1.00 74.12 C ATOM 0 H VAL A 55 17.101 -14.621 22.235 1.00 2.14 H new ATOM 0 HA VAL A 55 14.292 -14.953 21.774 1.00 11.43 H new ATOM 0 HB VAL A 55 14.113 -13.681 23.831 1.00 34.24 H new ATOM 0 HG11 VAL A 55 15.030 -11.407 24.036 1.00 71.14 H new ATOM 0 HG12 VAL A 55 16.310 -12.634 23.883 1.00 71.14 H new ATOM 0 HG13 VAL A 55 15.880 -11.618 22.487 1.00 71.14 H new ATOM 0 HG21 VAL A 55 12.843 -11.741 22.977 1.00 74.12 H new ATOM 0 HG22 VAL A 55 13.575 -11.981 21.372 1.00 74.12 H new ATOM 0 HG23 VAL A 55 12.498 -13.223 22.053 1.00 74.12 H new ATOM 871 N ARG A 56 14.761 -13.802 19.625 1.00 3.44 N ATOM 872 CA ARG A 56 15.037 -13.187 18.342 1.00 30.34 C ATOM 873 C ARG A 56 13.748 -12.637 17.762 1.00 34.22 C ATOM 874 O ARG A 56 12.822 -13.393 17.473 1.00 45.24 O ATOM 875 CB ARG A 56 15.637 -14.196 17.361 1.00 31.13 C ATOM 876 CG ARG A 56 16.790 -15.018 17.914 1.00 60.22 C ATOM 877 CD ARG A 56 17.990 -14.159 18.269 1.00 12.52 C ATOM 878 NE ARG A 56 19.192 -14.965 18.452 1.00 73.32 N ATOM 879 CZ ARG A 56 20.279 -14.555 19.101 1.00 41.54 C ATOM 880 NH1 ARG A 56 20.290 -13.381 19.720 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 21.357 -15.321 19.134 1.00 53.04 N ATOM 0 H ARG A 56 13.956 -14.428 19.629 1.00 3.44 H new ATOM 0 HA ARG A 56 15.758 -12.384 18.496 1.00 30.34 H new ATOM 0 HB2 ARG A 56 14.850 -14.875 17.034 1.00 31.13 H new ATOM 0 HB3 ARG A 56 15.983 -13.660 16.477 1.00 31.13 H new ATOM 0 HG2 ARG A 56 16.457 -15.557 18.801 1.00 60.22 H new ATOM 0 HG3 ARG A 56 17.086 -15.766 17.178 1.00 60.22 H new ATOM 0 HD2 ARG A 56 18.159 -13.426 17.480 1.00 12.52 H new ATOM 0 HD3 ARG A 56 17.782 -13.602 19.183 1.00 12.52 H new ATOM 0 HE ARG A 56 19.200 -15.905 18.056 1.00 73.32 H new ATOM 0 HH11 ARG A 56 19.462 -12.786 19.700 1.00 41.24 H new ATOM 0 HH12 ARG A 56 21.127 -13.073 20.215 1.00 41.24 H new ATOM 0 HH21 ARG A 56 21.355 -16.225 18.662 1.00 53.04 H new ATOM 0 HH22 ARG A 56 22.191 -15.007 19.631 1.00 53.04 H new ATOM 895 N LYS A 57 13.679 -11.329 17.610 1.00 33.31 N ATOM 896 CA LYS A 57 12.507 -10.698 17.031 1.00 4.11 C ATOM 897 C LYS A 57 12.895 -10.049 15.715 1.00 15.33 C ATOM 898 O LYS A 57 13.959 -9.440 15.615 1.00 3.22 O ATOM 899 CB LYS A 57 11.925 -9.666 18.001 1.00 43.11 C ATOM 900 CG LYS A 57 10.576 -9.107 17.572 1.00 71.30 C ATOM 901 CD LYS A 57 9.963 -8.226 18.651 1.00 14.43 C ATOM 902 CE LYS A 57 9.801 -8.984 19.963 1.00 11.33 C ATOM 903 NZ LYS A 57 9.165 -8.158 21.023 1.00 52.31 N1+ ATOM 0 H LYS A 57 14.420 -10.682 17.879 1.00 33.31 H new ATOM 0 HA LYS A 57 11.739 -11.448 16.845 1.00 4.11 H new ATOM 0 HB2 LYS A 57 11.821 -10.125 18.984 1.00 43.11 H new ATOM 0 HB3 LYS A 57 12.631 -8.843 18.107 1.00 43.11 H new ATOM 0 HG2 LYS A 57 10.696 -8.529 16.655 1.00 71.30 H new ATOM 0 HG3 LYS A 57 9.897 -9.929 17.344 1.00 71.30 H new ATOM 0 HD2 LYS A 57 10.594 -7.351 18.810 1.00 14.43 H new ATOM 0 HD3 LYS A 57 8.991 -7.862 18.317 1.00 14.43 H new ATOM 0 HE2 LYS A 57 9.198 -9.876 19.792 1.00 11.33 H new ATOM 0 HE3 LYS A 57 10.779 -9.321 20.307 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 9.078 -8.719 21.894 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 9.752 -7.319 21.208 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 8.220 -7.857 20.709 1.00 52.31 H new ATOM 917 N CYS A 58 12.062 -10.207 14.702 1.00 72.13 N ATOM 918 CA CYS A 58 12.382 -9.691 13.379 1.00 62.31 C ATOM 919 C CYS A 58 12.239 -8.171 13.339 1.00 74.10 C ATOM 920 O CYS A 58 11.311 -7.607 13.927 1.00 14.35 O ATOM 921 CB CYS A 58 11.497 -10.338 12.316 1.00 65.03 C ATOM 922 SG CYS A 58 11.916 -9.844 10.614 1.00 34.12 S ATOM 0 H CYS A 58 11.163 -10.685 14.767 1.00 72.13 H new ATOM 0 HA CYS A 58 13.420 -9.943 13.162 1.00 62.31 H new ATOM 0 HB2 CYS A 58 11.577 -11.422 12.400 1.00 65.03 H new ATOM 0 HB3 CYS A 58 10.457 -10.078 12.515 1.00 65.03 H new ATOM 927 N LEU A 59 13.169 -7.522 12.651 1.00 20.31 N ATOM 928 CA LEU A 59 13.189 -6.068 12.549 1.00 35.20 C ATOM 929 C LEU A 59 12.520 -5.613 11.257 1.00 35.41 C ATOM 930 O LEU A 59 12.062 -6.434 10.467 1.00 75.32 O ATOM 931 CB LEU A 59 14.635 -5.561 12.583 1.00 75.13 C ATOM 932 CG LEU A 59 15.429 -5.937 13.835 1.00 73.02 C ATOM 933 CD1 LEU A 59 16.863 -5.450 13.717 1.00 24.20 C ATOM 934 CD2 LEU A 59 14.767 -5.358 15.076 1.00 11.24 C ATOM 0 H LEU A 59 13.927 -7.985 12.150 1.00 20.31 H new ATOM 0 HA LEU A 59 12.639 -5.656 13.395 1.00 35.20 H new ATOM 0 HB2 LEU A 59 15.159 -5.949 11.710 1.00 75.13 H new ATOM 0 HB3 LEU A 59 14.624 -4.475 12.492 1.00 75.13 H new ATOM 0 HG LEU A 59 15.441 -7.023 13.927 1.00 73.02 H new ATOM 0 HD11 LEU A 59 17.416 -5.725 14.615 1.00 24.20 H new ATOM 0 HD12 LEU A 59 17.333 -5.909 12.847 1.00 24.20 H new ATOM 0 HD13 LEU A 59 16.871 -4.366 13.604 1.00 24.20 H new ATOM 0 HD21 LEU A 59 15.344 -5.634 15.959 1.00 11.24 H new ATOM 0 HD22 LEU A 59 14.727 -4.272 14.994 1.00 11.24 H new ATOM 0 HD23 LEU A 59 13.755 -5.752 15.166 1.00 11.24 H new ATOM 946 N ALA A 60 12.480 -4.301 11.036 1.00 33.55 N ATOM 947 CA ALA A 60 11.981 -3.744 9.780 1.00 14.42 C ATOM 948 C ALA A 60 13.060 -3.869 8.709 1.00 34.01 C ATOM 949 O ALA A 60 13.223 -3.004 7.844 1.00 3.23 O ATOM 950 CB ALA A 60 11.583 -2.289 9.975 1.00 21.55 C ATOM 0 H ALA A 60 12.788 -3.602 11.712 1.00 33.55 H new ATOM 0 HA ALA A 60 11.098 -4.298 9.460 1.00 14.42 H new ATOM 0 HB1 ALA A 60 11.213 -1.884 9.033 1.00 21.55 H new ATOM 0 HB2 ALA A 60 10.800 -2.224 10.731 1.00 21.55 H new ATOM 0 HB3 ALA A 60 12.450 -1.715 10.301 1.00 21.55 H new ATOM 956 N ASN A 61 13.772 -4.978 8.779 1.00 62.21 N ATOM 957 CA ASN A 61 14.944 -5.236 7.972 1.00 25.33 C ATOM 958 C ASN A 61 15.150 -6.745 7.899 1.00 24.31 C ATOM 959 O ASN A 61 14.682 -7.467 8.775 1.00 33.40 O ATOM 960 CB ASN A 61 16.156 -4.518 8.598 1.00 32.31 C ATOM 961 CG ASN A 61 17.482 -5.202 8.328 1.00 74.35 C ATOM 962 OD1 ASN A 61 17.985 -5.953 9.162 1.00 1.31 O ATOM 963 ND2 ASN A 61 18.055 -4.955 7.167 1.00 4.55 N ATOM 0 H ASN A 61 13.543 -5.742 9.415 1.00 62.21 H new ATOM 0 HA ASN A 61 14.821 -4.854 6.959 1.00 25.33 H new ATOM 0 HB2 ASN A 61 16.200 -3.498 8.215 1.00 32.31 H new ATOM 0 HB3 ASN A 61 16.007 -4.448 9.676 1.00 32.31 H new ATOM 0 HD21 ASN A 61 18.947 -5.393 6.935 1.00 4.55 H new ATOM 0 HD22 ASN A 61 17.607 -4.326 6.501 1.00 4.55 H new ATOM 970 N GLY A 62 15.830 -7.218 6.859 1.00 21.23 N ATOM 971 CA GLY A 62 16.016 -8.649 6.670 1.00 43.34 C ATOM 972 C GLY A 62 17.034 -9.252 7.624 1.00 30.15 C ATOM 973 O GLY A 62 17.949 -9.960 7.198 1.00 74.22 O ATOM 0 H GLY A 62 16.258 -6.635 6.140 1.00 21.23 H new ATOM 0 HA2 GLY A 62 15.059 -9.154 6.803 1.00 43.34 H new ATOM 0 HA3 GLY A 62 16.334 -8.835 5.644 1.00 43.34 H new ATOM 977 N SER A 63 16.877 -8.970 8.911 1.00 32.44 N ATOM 978 CA SER A 63 17.750 -9.490 9.949 1.00 55.04 C ATOM 979 C SER A 63 17.037 -9.422 11.296 1.00 64.31 C ATOM 980 O SER A 63 16.196 -8.547 11.522 1.00 34.44 O ATOM 981 CB SER A 63 19.063 -8.697 10.005 1.00 2.41 C ATOM 982 OG SER A 63 19.768 -8.776 8.772 1.00 62.04 O ATOM 0 H SER A 63 16.133 -8.368 9.264 1.00 32.44 H new ATOM 0 HA SER A 63 17.990 -10.528 9.718 1.00 55.04 H new ATOM 0 HB2 SER A 63 18.850 -7.654 10.239 1.00 2.41 H new ATOM 0 HB3 SER A 63 19.689 -9.083 10.810 1.00 2.41 H new ATOM 0 HG SER A 63 19.347 -9.449 8.197 1.00 62.04 H new ATOM 988 N TRP A 64 17.363 -10.345 12.185 1.00 43.33 N ATOM 989 CA TRP A 64 16.701 -10.419 13.475 1.00 43.33 C ATOM 990 C TRP A 64 17.348 -9.440 14.457 1.00 14.23 C ATOM 991 O TRP A 64 18.336 -8.787 14.121 1.00 63.32 O ATOM 992 CB TRP A 64 16.750 -11.856 14.007 1.00 65.43 C ATOM 993 CG TRP A 64 16.055 -12.845 13.110 1.00 63.21 C ATOM 994 CD1 TRP A 64 16.572 -13.459 12.000 1.00 40.32 C ATOM 995 CD2 TRP A 64 14.710 -13.327 13.242 1.00 51.21 C ATOM 996 NE1 TRP A 64 15.627 -14.285 11.433 1.00 61.14 N ATOM 997 CE2 TRP A 64 14.478 -14.223 12.180 1.00 3.21 C ATOM 998 CE3 TRP A 64 13.679 -13.089 14.155 1.00 55.00 C ATOM 999 CZ2 TRP A 64 13.260 -14.878 12.007 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 12.470 -13.739 13.981 1.00 13.34 C ATOM 1001 CH2 TRP A 64 12.270 -14.623 12.916 1.00 30.45 C ATOM 0 H TRP A 64 18.082 -11.053 12.037 1.00 43.33 H new ATOM 0 HA TRP A 64 15.655 -10.136 13.360 1.00 43.33 H new ATOM 0 HB2 TRP A 64 17.791 -12.156 14.130 1.00 65.43 H new ATOM 0 HB3 TRP A 64 16.291 -11.886 14.995 1.00 65.43 H new ATOM 0 HD1 TRP A 64 17.574 -13.316 11.624 1.00 40.32 H new ATOM 0 HE1 TRP A 64 15.760 -14.851 10.595 1.00 61.14 H new ATOM 0 HE3 TRP A 64 13.823 -12.410 14.982 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 13.104 -15.562 11.186 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 11.666 -13.560 14.680 1.00 13.34 H new ATOM 0 HH2 TRP A 64 11.314 -15.114 12.809 1.00 30.45 H new ATOM 1012 N THR A 65 16.776 -9.330 15.655 1.00 64.24 N ATOM 1013 CA THR A 65 17.255 -8.394 16.677 1.00 62.45 C ATOM 1014 C THR A 65 18.761 -8.511 16.916 1.00 71.12 C ATOM 1015 O THR A 65 19.478 -7.511 16.939 1.00 30.41 O ATOM 1016 CB THR A 65 16.510 -8.609 18.013 1.00 0.54 C ATOM 1017 OG1 THR A 65 16.248 -10.008 18.217 1.00 14.20 O ATOM 1018 CG2 THR A 65 15.208 -7.828 18.042 1.00 4.51 C ATOM 0 H THR A 65 15.970 -9.884 15.946 1.00 64.24 H new ATOM 0 HA THR A 65 17.049 -7.393 16.297 1.00 62.45 H new ATOM 0 HB THR A 65 17.147 -8.244 18.818 1.00 0.54 H new ATOM 0 HG1 THR A 65 15.791 -10.134 19.075 1.00 14.20 H new ATOM 0 HG21 THR A 65 14.703 -7.997 18.993 1.00 4.51 H new ATOM 0 HG22 THR A 65 15.419 -6.765 17.927 1.00 4.51 H new ATOM 0 HG23 THR A 65 14.566 -8.161 17.227 1.00 4.51 H new ATOM 1026 N ASP A 66 19.227 -9.735 17.087 1.00 71.12 N ATOM 1027 CA ASP A 66 20.641 -10.007 17.314 1.00 34.33 C ATOM 1028 C ASP A 66 20.947 -11.409 16.837 1.00 13.42 C ATOM 1029 O ASP A 66 20.121 -12.299 17.008 1.00 3.12 O ATOM 1030 CB ASP A 66 20.981 -9.905 18.808 1.00 63.41 C ATOM 1031 CG ASP A 66 22.453 -10.134 19.097 1.00 40.15 C ATOM 1032 OD1 ASP A 66 23.241 -9.169 18.986 1.00 25.14 O ATOM 1033 OD2 ASP A 66 22.831 -11.271 19.450 1.00 24.04 O1- ATOM 0 H ASP A 66 18.640 -10.569 17.073 1.00 71.12 H new ATOM 0 HA ASP A 66 21.235 -9.274 16.768 1.00 34.33 H new ATOM 0 HB2 ASP A 66 20.693 -8.919 19.174 1.00 63.41 H new ATOM 0 HB3 ASP A 66 20.390 -10.635 19.360 1.00 63.41 H new ATOM 1038 N MET A 67 22.098 -11.607 16.208 1.00 22.12 N ATOM 1039 CA MET A 67 22.562 -12.960 15.937 1.00 54.13 C ATOM 1040 C MET A 67 24.055 -13.067 16.170 1.00 53.22 C ATOM 1041 O MET A 67 24.853 -13.001 15.233 1.00 32.02 O ATOM 1042 CB MET A 67 22.242 -13.376 14.496 1.00 11.22 C ATOM 1043 CG MET A 67 20.770 -13.652 14.245 1.00 72.34 C ATOM 1044 SD MET A 67 20.168 -15.072 15.175 1.00 2.02 S ATOM 1045 CE MET A 67 18.434 -15.026 14.748 1.00 10.45 C ATOM 0 H MET A 67 22.716 -10.864 15.882 1.00 22.12 H new ATOM 0 HA MET A 67 22.040 -13.630 16.620 1.00 54.13 H new ATOM 0 HB2 MET A 67 22.574 -12.589 13.819 1.00 11.22 H new ATOM 0 HB3 MET A 67 22.816 -14.270 14.251 1.00 11.22 H new ATOM 0 HG2 MET A 67 20.187 -12.771 14.515 1.00 72.34 H new ATOM 0 HG3 MET A 67 20.612 -13.825 13.180 1.00 72.34 H new ATOM 0 HE1 MET A 67 17.996 -16.012 14.900 1.00 10.45 H new ATOM 0 HE2 MET A 67 17.923 -14.300 15.380 1.00 10.45 H new ATOM 0 HE3 MET A 67 18.324 -14.738 13.703 1.00 10.45 H new ATOM 1055 N ASP A 68 24.416 -13.189 17.438 1.00 24.31 N ATOM 1056 CA ASP A 68 25.737 -13.640 17.851 1.00 2.01 C ATOM 1057 C ASP A 68 25.691 -13.927 19.340 1.00 63.14 C ATOM 1058 O ASP A 68 25.959 -13.043 20.154 1.00 55.15 O ATOM 1059 CB ASP A 68 26.810 -12.595 17.527 1.00 13.54 C ATOM 1060 CG ASP A 68 28.217 -13.129 17.697 1.00 11.43 C ATOM 1061 OD1 ASP A 68 28.902 -12.726 18.658 1.00 34.44 O ATOM 1062 OD2 ASP A 68 28.659 -13.930 16.843 1.00 51.53 O1- ATOM 0 H ASP A 68 23.794 -12.976 18.218 1.00 24.31 H new ATOM 0 HA ASP A 68 26.005 -14.544 17.303 1.00 2.01 H new ATOM 0 HB2 ASP A 68 26.678 -12.251 16.501 1.00 13.54 H new ATOM 0 HB3 ASP A 68 26.674 -11.728 18.174 1.00 13.54 H new ATOM 1067 N THR A 69 25.323 -15.139 19.707 1.00 35.52 N ATOM 1068 CA THR A 69 25.041 -15.431 21.099 1.00 74.33 C ATOM 1069 C THR A 69 25.302 -16.902 21.415 1.00 61.54 C ATOM 1070 O THR A 69 24.825 -17.794 20.705 1.00 13.04 O ATOM 1071 CB THR A 69 23.570 -15.088 21.426 1.00 11.41 C ATOM 1072 OG1 THR A 69 23.134 -13.965 20.646 1.00 32.14 O ATOM 1073 CG2 THR A 69 23.398 -14.753 22.895 1.00 22.51 C ATOM 0 H THR A 69 25.213 -15.928 19.070 1.00 35.52 H new ATOM 0 HA THR A 69 25.704 -14.820 21.711 1.00 74.33 H new ATOM 0 HB THR A 69 22.970 -15.966 21.186 1.00 11.41 H new ATOM 0 HG1 THR A 69 22.861 -13.238 21.244 1.00 32.14 H new ATOM 0 HG21 THR A 69 22.353 -14.516 23.094 1.00 22.51 H new ATOM 0 HG22 THR A 69 23.698 -15.608 23.501 1.00 22.51 H new ATOM 0 HG23 THR A 69 24.019 -13.894 23.147 1.00 22.51 H new ATOM 1081 N PRO A 70 26.078 -17.173 22.473 1.00 34.41 N ATOM 1082 CA PRO A 70 26.365 -18.540 22.917 1.00 42.43 C ATOM 1083 C PRO A 70 25.177 -19.187 23.636 1.00 23.34 C ATOM 1084 O PRO A 70 25.205 -19.398 24.849 1.00 64.14 O ATOM 1085 CB PRO A 70 27.541 -18.357 23.877 1.00 61.51 C ATOM 1086 CG PRO A 70 27.370 -16.979 24.419 1.00 11.35 C ATOM 1087 CD PRO A 70 26.758 -16.166 23.311 1.00 41.03 C ATOM 0 HA PRO A 70 26.578 -19.204 22.080 1.00 42.43 H new ATOM 0 HB2 PRO A 70 27.523 -19.102 24.673 1.00 61.51 H new ATOM 0 HB3 PRO A 70 28.495 -18.465 23.361 1.00 61.51 H new ATOM 0 HG2 PRO A 70 26.727 -16.984 25.299 1.00 11.35 H new ATOM 0 HG3 PRO A 70 28.328 -16.560 24.726 1.00 11.35 H new ATOM 0 HD2 PRO A 70 26.056 -15.427 23.697 1.00 41.03 H new ATOM 0 HD3 PRO A 70 27.516 -15.622 22.748 1.00 41.03 H new ATOM 1095 N SER A 71 24.125 -19.477 22.884 1.00 21.45 N ATOM 1096 CA SER A 71 22.972 -20.180 23.421 1.00 53.41 C ATOM 1097 C SER A 71 23.280 -21.673 23.525 1.00 14.12 C ATOM 1098 O SER A 71 23.610 -22.317 22.527 1.00 73.30 O ATOM 1099 CB SER A 71 21.757 -19.930 22.527 1.00 41.55 C ATOM 1100 OG SER A 71 22.100 -20.076 21.160 1.00 70.34 O ATOM 0 H SER A 71 24.048 -19.235 21.896 1.00 21.45 H new ATOM 0 HA SER A 71 22.746 -19.808 24.420 1.00 53.41 H new ATOM 0 HB2 SER A 71 20.961 -20.629 22.784 1.00 41.55 H new ATOM 0 HB3 SER A 71 21.370 -18.927 22.704 1.00 41.55 H new ATOM 0 HG SER A 71 22.722 -20.826 21.057 1.00 70.34 H new ATOM 1106 N ARG A 72 23.193 -22.214 24.731 1.00 45.03 N ATOM 1107 CA ARG A 72 23.585 -23.596 24.971 1.00 4.44 C ATOM 1108 C ARG A 72 22.541 -24.341 25.793 1.00 75.30 C ATOM 1109 O ARG A 72 21.951 -23.783 26.716 1.00 23.40 O ATOM 1110 CB ARG A 72 24.938 -23.635 25.684 1.00 34.44 C ATOM 1111 CG ARG A 72 24.976 -22.823 26.971 1.00 12.31 C ATOM 1112 CD ARG A 72 26.358 -22.842 27.603 1.00 24.33 C ATOM 1113 NE ARG A 72 27.390 -22.391 26.669 1.00 52.22 N ATOM 1114 CZ ARG A 72 28.137 -21.303 26.848 1.00 64.42 C ATOM 1115 NH1 ARG A 72 27.943 -20.518 27.903 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 29.076 -20.992 25.959 1.00 31.31 N ATOM 0 H ARG A 72 22.856 -21.719 25.557 1.00 45.03 H new ATOM 0 HA ARG A 72 23.665 -24.095 24.005 1.00 4.44 H new ATOM 0 HB2 ARG A 72 25.189 -24.671 25.911 1.00 34.44 H new ATOM 0 HB3 ARG A 72 25.706 -23.262 25.007 1.00 34.44 H new ATOM 0 HG2 ARG A 72 24.685 -21.794 26.761 1.00 12.31 H new ATOM 0 HG3 ARG A 72 24.247 -23.223 27.676 1.00 12.31 H new ATOM 0 HD2 ARG A 72 26.363 -22.203 28.486 1.00 24.33 H new ATOM 0 HD3 ARG A 72 26.590 -23.852 27.940 1.00 24.33 H new ATOM 0 HE ARG A 72 27.547 -22.945 25.827 1.00 52.22 H new ATOM 0 HH11 ARG A 72 27.218 -20.747 28.583 1.00 45.44 H new ATOM 0 HH12 ARG A 72 28.519 -19.687 28.033 1.00 45.44 H new ATOM 0 HH21 ARG A 72 29.222 -21.586 25.143 1.00 31.31 H new ATOM 0 HH22 ARG A 72 29.650 -20.159 26.093 1.00 31.31 H new ATOM 1130 N CYS A 73 22.327 -25.599 25.448 1.00 4.41 N ATOM 1131 CA CYS A 73 21.387 -26.445 26.167 1.00 74.22 C ATOM 1132 C CYS A 73 22.132 -27.477 26.997 1.00 15.32 C ATOM 1133 O CYS A 73 22.659 -28.457 26.470 1.00 21.44 O ATOM 1134 CB CYS A 73 20.424 -27.127 25.193 1.00 72.10 C ATOM 1135 SG CYS A 73 21.202 -27.744 23.663 1.00 53.24 S ATOM 0 H CYS A 73 22.795 -26.061 24.668 1.00 4.41 H new ATOM 0 HA CYS A 73 20.802 -25.819 26.841 1.00 74.22 H new ATOM 0 HB2 CYS A 73 19.943 -27.962 25.703 1.00 72.10 H new ATOM 0 HB3 CYS A 73 19.638 -26.421 24.926 1.00 72.10 H new ATOM 1140 N VAL A 74 22.186 -27.250 28.298 1.00 70.53 N ATOM 1141 CA VAL A 74 22.965 -28.099 29.181 1.00 64.52 C ATOM 1142 C VAL A 74 22.084 -28.675 30.299 1.00 43.42 C ATOM 1143 O VAL A 74 22.570 -29.298 31.243 1.00 34.31 O ATOM 1144 CB VAL A 74 24.156 -27.306 29.770 1.00 54.13 C ATOM 1145 CG1 VAL A 74 23.673 -26.255 30.760 1.00 11.41 C ATOM 1146 CG2 VAL A 74 25.182 -28.235 30.402 1.00 43.31 C ATOM 0 H VAL A 74 21.700 -26.485 28.766 1.00 70.53 H new ATOM 0 HA VAL A 74 23.359 -28.934 28.602 1.00 64.52 H new ATOM 0 HB VAL A 74 24.651 -26.787 28.949 1.00 54.13 H new ATOM 0 HG11 VAL A 74 24.529 -25.711 31.160 1.00 11.41 H new ATOM 0 HG12 VAL A 74 23.005 -25.558 30.254 1.00 11.41 H new ATOM 0 HG13 VAL A 74 23.139 -26.742 31.576 1.00 11.41 H new ATOM 0 HG21 VAL A 74 26.006 -27.646 30.806 1.00 43.31 H new ATOM 0 HG22 VAL A 74 24.713 -28.802 31.206 1.00 43.31 H new ATOM 0 HG23 VAL A 74 25.564 -28.923 29.647 1.00 43.31 H new ATOM 1156 N ARG A 75 20.779 -28.473 30.176 1.00 64.45 N ATOM 1157 CA ARG A 75 19.837 -29.000 31.152 1.00 54.13 C ATOM 1158 C ARG A 75 18.783 -29.849 30.453 1.00 45.21 C ATOM 1159 O ARG A 75 17.816 -29.277 29.914 1.00 37.22 O ATOM 1160 CB ARG A 75 19.176 -27.864 31.941 1.00 55.34 C ATOM 1161 CG ARG A 75 18.342 -28.351 33.117 1.00 43.51 C ATOM 1162 CD ARG A 75 17.875 -27.199 33.992 1.00 51.22 C ATOM 1163 NE ARG A 75 16.861 -26.370 33.343 1.00 74.41 N ATOM 1164 CZ ARG A 75 16.841 -25.035 33.397 1.00 23.14 C ATOM 1165 NH1 ARG A 75 17.826 -24.374 34.000 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 15.839 -24.362 32.843 1.00 4.05 N ATOM 1167 OXT ARG A 75 18.941 -31.084 30.426 1.00 37.22 O ATOM 0 H ARG A 75 20.350 -27.950 29.412 1.00 64.45 H new ATOM 0 HA ARG A 75 20.383 -29.626 31.858 1.00 54.13 H new ATOM 0 HB2 ARG A 75 19.949 -27.189 32.308 1.00 55.34 H new ATOM 0 HB3 ARG A 75 18.541 -27.286 31.269 1.00 55.34 H new ATOM 0 HG2 ARG A 75 17.477 -28.900 32.746 1.00 43.51 H new ATOM 0 HG3 ARG A 75 18.929 -29.048 33.716 1.00 43.51 H new ATOM 0 HD2 ARG A 75 17.471 -27.596 34.923 1.00 51.22 H new ATOM 0 HD3 ARG A 75 18.731 -26.578 34.255 1.00 51.22 H new ATOM 0 HE ARG A 75 16.124 -26.839 32.817 1.00 74.41 H new ATOM 0 HH11 ARG A 75 18.600 -24.886 34.423 1.00 33.54 H new ATOM 0 HH12 ARG A 75 17.807 -23.355 34.039 1.00 33.54 H new ATOM 0 HH21 ARG A 75 15.084 -24.864 32.376 1.00 4.05 H new ATOM 0 HH22 ARG A 75 15.824 -23.343 32.885 1.00 4.05 H new TER 1181 ARG A 75