USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0897 F(o=-1.5!,f=-0.09) USER MOD Single : A 11 HIS :FLIP no HD1:sc= -0.746 F(o=-1.4,f=-0.75) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0409 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.0146 F(o=-1.1,f=-0.015) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc=-0.00359 K(o=-0.0036,f=-0.66) USER MOD Single : A 38 TYR OH : rot 180:sc= -1.02! USER MOD Single : A 42 TYR OH : rot 30:sc= -0.24 USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 1.27 (180deg=1.04) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.012 X(o=-0.012,f=-0.12) USER MOD Single : A 63 SER OG : rot 180:sc= -0.128 USER MOD Single : A 65 THR OG1 : rot 149:sc= -0.476 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -150:sc= 0.959 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.942 -1.956 -5.532 1.00 35.34 N ATOM 2 CA GLY A 1 5.257 -1.803 -4.864 1.00 55.43 C ATOM 3 C GLY A 1 5.766 -3.112 -4.304 1.00 51.14 C ATOM 4 O GLY A 1 5.263 -3.590 -3.286 1.00 72.35 O ATOM 0 H1 GLY A 1 3.631 -1.035 -5.901 1.00 35.34 H new ATOM 0 H2 GLY A 1 4.028 -2.632 -6.317 1.00 35.34 H new ATOM 0 H3 GLY A 1 3.243 -2.308 -4.847 1.00 35.34 H new ATOM 0 HA2 GLY A 1 5.981 -1.408 -5.576 1.00 55.43 H new ATOM 0 HA3 GLY A 1 5.171 -1.073 -4.059 1.00 55.43 H new ATOM 10 N PRO A 2 6.765 -3.727 -4.951 1.00 72.10 N ATOM 11 CA PRO A 2 7.336 -4.989 -4.501 1.00 11.23 C ATOM 12 C PRO A 2 8.210 -4.808 -3.265 1.00 35.21 C ATOM 13 O PRO A 2 9.414 -4.563 -3.367 1.00 11.13 O ATOM 14 CB PRO A 2 8.182 -5.469 -5.690 1.00 52.12 C ATOM 15 CG PRO A 2 7.886 -4.521 -6.809 1.00 45.52 C ATOM 16 CD PRO A 2 7.426 -3.246 -6.168 1.00 34.41 C ATOM 0 HA PRO A 2 6.562 -5.700 -4.213 1.00 11.23 H new ATOM 0 HB2 PRO A 2 9.244 -5.463 -5.443 1.00 52.12 H new ATOM 0 HB3 PRO A 2 7.925 -6.492 -5.965 1.00 52.12 H new ATOM 0 HG2 PRO A 2 8.773 -4.351 -7.420 1.00 45.52 H new ATOM 0 HG3 PRO A 2 7.117 -4.925 -7.468 1.00 45.52 H new ATOM 0 HD2 PRO A 2 8.260 -2.581 -5.942 1.00 34.41 H new ATOM 0 HD3 PRO A 2 6.741 -2.692 -6.810 1.00 34.41 H new ATOM 24 N THR A 3 7.590 -4.886 -2.102 1.00 75.23 N ATOM 25 CA THR A 3 8.305 -4.766 -0.847 1.00 20.44 C ATOM 26 C THR A 3 8.081 -6.002 0.012 1.00 14.14 C ATOM 27 O THR A 3 6.956 -6.303 0.415 1.00 41.35 O ATOM 28 CB THR A 3 7.876 -3.503 -0.071 1.00 44.42 C ATOM 29 OG1 THR A 3 8.062 -2.344 -0.897 1.00 62.22 O ATOM 30 CG2 THR A 3 8.681 -3.344 1.211 1.00 1.30 C ATOM 0 H THR A 3 6.586 -5.033 -2.002 1.00 75.23 H new ATOM 0 HA THR A 3 9.366 -4.678 -1.080 1.00 20.44 H new ATOM 0 HB THR A 3 6.824 -3.608 0.194 1.00 44.42 H new ATOM 0 HG1 THR A 3 7.788 -1.543 -0.403 1.00 62.22 H new ATOM 0 HG21 THR A 3 8.356 -2.446 1.736 1.00 1.30 H new ATOM 0 HG22 THR A 3 8.524 -4.214 1.849 1.00 1.30 H new ATOM 0 HG23 THR A 3 9.740 -3.259 0.967 1.00 1.30 H new ATOM 38 N SER A 4 9.156 -6.728 0.265 1.00 71.02 N ATOM 39 CA SER A 4 9.096 -7.917 1.092 1.00 42.34 C ATOM 40 C SER A 4 9.707 -7.628 2.458 1.00 25.41 C ATOM 41 O SER A 4 10.928 -7.562 2.600 1.00 72.11 O ATOM 42 CB SER A 4 9.834 -9.068 0.405 1.00 74.12 C ATOM 43 OG SER A 4 9.354 -9.254 -0.918 1.00 34.13 O ATOM 0 H SER A 4 10.086 -6.512 -0.094 1.00 71.02 H new ATOM 0 HA SER A 4 8.055 -8.207 1.231 1.00 42.34 H new ATOM 0 HB2 SER A 4 10.904 -8.859 0.383 1.00 74.12 H new ATOM 0 HB3 SER A 4 9.700 -9.986 0.978 1.00 74.12 H new ATOM 0 HG SER A 4 9.839 -9.993 -1.341 1.00 34.13 H new ATOM 49 N GLU A 5 8.860 -7.412 3.449 1.00 73.11 N ATOM 50 CA GLU A 5 9.332 -7.150 4.797 1.00 2.22 C ATOM 51 C GLU A 5 9.312 -8.438 5.605 1.00 63.11 C ATOM 52 O GLU A 5 8.267 -8.847 6.123 1.00 33.12 O ATOM 53 CB GLU A 5 8.451 -6.095 5.460 1.00 74.03 C ATOM 54 CG GLU A 5 8.417 -4.774 4.707 1.00 3.23 C ATOM 55 CD GLU A 5 7.254 -3.905 5.127 1.00 61.35 C ATOM 56 OE1 GLU A 5 6.246 -3.858 4.390 1.00 21.51 O ATOM 57 OE2 GLU A 5 7.326 -3.278 6.205 1.00 22.25 O1- ATOM 0 H GLU A 5 7.845 -7.413 3.346 1.00 73.11 H new ATOM 0 HA GLU A 5 10.354 -6.775 4.755 1.00 2.22 H new ATOM 0 HB2 GLU A 5 7.436 -6.482 5.545 1.00 74.03 H new ATOM 0 HB3 GLU A 5 8.810 -5.917 6.474 1.00 74.03 H new ATOM 0 HG2 GLU A 5 9.350 -4.237 4.878 1.00 3.23 H new ATOM 0 HG3 GLU A 5 8.354 -4.970 3.637 1.00 3.23 H new ATOM 64 N GLY A 6 10.457 -9.090 5.680 1.00 13.15 N ATOM 65 CA GLY A 6 10.551 -10.331 6.403 1.00 42.42 C ATOM 66 C GLY A 6 11.978 -10.722 6.699 1.00 52.24 C ATOM 67 O GLY A 6 12.848 -10.603 5.833 1.00 3.43 O ATOM 0 H GLY A 6 11.327 -8.778 5.249 1.00 13.15 H new ATOM 0 HA2 GLY A 6 10.000 -10.245 7.339 1.00 42.42 H new ATOM 0 HA3 GLY A 6 10.074 -11.122 5.824 1.00 42.42 H new ATOM 71 N CYS A 7 12.224 -11.184 7.913 1.00 10.20 N ATOM 72 CA CYS A 7 13.517 -11.749 8.260 1.00 70.11 C ATOM 73 C CYS A 7 13.580 -13.179 7.749 1.00 4.44 C ATOM 74 O CYS A 7 12.627 -13.937 7.912 1.00 72.14 O ATOM 75 CB CYS A 7 13.734 -11.712 9.772 1.00 4.33 C ATOM 76 SG CYS A 7 13.592 -10.045 10.488 1.00 21.12 S ATOM 0 H CYS A 7 11.546 -11.179 8.675 1.00 10.20 H new ATOM 0 HA CYS A 7 14.307 -11.159 7.796 1.00 70.11 H new ATOM 0 HB2 CYS A 7 13.007 -12.367 10.251 1.00 4.33 H new ATOM 0 HB3 CYS A 7 14.722 -12.113 9.999 1.00 4.33 H new ATOM 81 N GLN A 8 14.682 -13.538 7.109 1.00 15.12 N ATOM 82 CA GLN A 8 14.801 -14.846 6.485 1.00 64.14 C ATOM 83 C GLN A 8 14.978 -15.967 7.510 1.00 64.22 C ATOM 84 O GLN A 8 15.077 -15.730 8.719 1.00 1.10 O ATOM 85 CB GLN A 8 15.971 -14.871 5.504 1.00 50.41 C ATOM 86 CG GLN A 8 17.324 -14.625 6.155 1.00 43.35 C ATOM 87 CD GLN A 8 18.489 -15.053 5.284 1.00 51.10 C ATOM 88 OE1 GLN A 8 18.320 -16.136 4.538 1.00 41.23 O flip ATOM 89 NE2 GLN A 8 19.554 -14.432 5.313 1.00 23.50 N flip ATOM 0 H GLN A 8 15.505 -12.944 7.008 1.00 15.12 H new ATOM 0 HA GLN A 8 13.867 -15.021 5.951 1.00 64.14 H new ATOM 0 HB2 GLN A 8 15.991 -15.838 5.001 1.00 50.41 H new ATOM 0 HB3 GLN A 8 15.805 -14.116 4.736 1.00 50.41 H new ATOM 0 HG2 GLN A 8 17.422 -13.564 6.387 1.00 43.35 H new ATOM 0 HG3 GLN A 8 17.369 -15.164 7.102 1.00 43.35 H new ATOM 0 HE21 GLN A 8 19.645 -13.603 5.900 1.00 23.50 H new ATOM 0 HE22 GLN A 8 20.344 -14.748 4.750 1.00 23.50 H new ATOM 98 N ILE A 9 15.042 -17.188 6.996 1.00 54.54 N ATOM 99 CA ILE A 9 15.211 -18.374 7.818 1.00 64.42 C ATOM 100 C ILE A 9 16.693 -18.669 8.024 1.00 73.43 C ATOM 101 O ILE A 9 17.467 -18.740 7.070 1.00 71.43 O ATOM 102 CB ILE A 9 14.488 -19.591 7.183 1.00 54.42 C ATOM 103 CG1 ILE A 9 12.995 -19.536 7.517 1.00 1.03 C ATOM 104 CG2 ILE A 9 15.086 -20.918 7.632 1.00 60.45 C ATOM 105 CD1 ILE A 9 12.222 -20.739 7.030 1.00 23.41 C ATOM 0 H ILE A 9 14.978 -17.382 5.997 1.00 54.54 H new ATOM 0 HA ILE A 9 14.759 -18.187 8.792 1.00 64.42 H new ATOM 0 HB ILE A 9 14.625 -19.531 6.103 1.00 54.42 H new ATOM 0 HG12 ILE A 9 12.876 -19.451 8.597 1.00 1.03 H new ATOM 0 HG13 ILE A 9 12.566 -18.636 7.077 1.00 1.03 H new ATOM 0 HG21 ILE A 9 14.546 -21.739 7.160 1.00 60.45 H new ATOM 0 HG22 ILE A 9 16.136 -20.961 7.342 1.00 60.45 H new ATOM 0 HG23 ILE A 9 15.005 -21.006 8.715 1.00 60.45 H new ATOM 0 HD11 ILE A 9 11.172 -20.631 7.302 1.00 23.41 H new ATOM 0 HD12 ILE A 9 12.310 -20.814 5.946 1.00 23.41 H new ATOM 0 HD13 ILE A 9 12.625 -21.641 7.490 1.00 23.41 H new ATOM 117 N ILE A 10 17.076 -18.812 9.283 1.00 1.44 N ATOM 118 CA ILE A 10 18.467 -19.037 9.649 1.00 53.14 C ATOM 119 C ILE A 10 18.875 -20.477 9.361 1.00 15.30 C ATOM 120 O ILE A 10 18.096 -21.409 9.566 1.00 44.43 O ATOM 121 CB ILE A 10 18.708 -18.712 11.141 1.00 44.30 C ATOM 122 CG1 ILE A 10 18.236 -17.288 11.456 1.00 13.24 C ATOM 123 CG2 ILE A 10 20.180 -18.874 11.497 1.00 25.05 C ATOM 124 CD1 ILE A 10 18.349 -16.917 12.920 1.00 42.33 C ATOM 0 H ILE A 10 16.436 -18.776 10.076 1.00 1.44 H new ATOM 0 HA ILE A 10 19.080 -18.369 9.044 1.00 53.14 H new ATOM 0 HB ILE A 10 18.132 -19.414 11.744 1.00 44.30 H new ATOM 0 HG12 ILE A 10 18.821 -16.582 10.866 1.00 13.24 H new ATOM 0 HG13 ILE A 10 17.197 -17.182 11.143 1.00 13.24 H new ATOM 0 HG21 ILE A 10 20.327 -18.640 12.551 1.00 25.05 H new ATOM 0 HG22 ILE A 10 20.489 -19.902 11.306 1.00 25.05 H new ATOM 0 HG23 ILE A 10 20.778 -18.196 10.888 1.00 25.05 H new ATOM 0 HD11 ILE A 10 17.997 -15.896 13.065 1.00 42.33 H new ATOM 0 HD12 ILE A 10 17.742 -17.598 13.516 1.00 42.33 H new ATOM 0 HD13 ILE A 10 19.390 -16.990 13.234 1.00 42.33 H new ATOM 136 N HIS A 11 20.097 -20.637 8.875 1.00 11.24 N ATOM 137 CA HIS A 11 20.634 -21.947 8.539 1.00 24.14 C ATOM 138 C HIS A 11 20.725 -22.819 9.795 1.00 73.03 C ATOM 139 O HIS A 11 21.104 -22.329 10.858 1.00 11.43 O ATOM 140 CB HIS A 11 22.017 -21.782 7.901 1.00 24.23 C ATOM 141 CG HIS A 11 22.376 -22.883 6.958 1.00 51.10 C ATOM 142 ND1 HIS A 11 21.738 -23.331 5.854 1.00 34.40 N flip ATOM 143 CD2 HIS A 11 23.507 -23.656 7.087 1.00 73.31 C flip ATOM 144 CE1 HIS A 11 22.488 -24.357 5.343 1.00 41.44 C flip ATOM 145 NE2 HIS A 11 23.551 -24.534 6.104 1.00 32.35 N flip ATOM 0 H HIS A 11 20.742 -19.866 8.703 1.00 11.24 H new ATOM 0 HA HIS A 11 19.970 -22.438 7.828 1.00 24.14 H new ATOM 0 HB2 HIS A 11 22.051 -20.832 7.367 1.00 24.23 H new ATOM 0 HB3 HIS A 11 22.768 -21.731 8.689 1.00 24.23 H new ATOM 0 HD2 HIS A 11 24.244 -23.559 7.871 1.00 73.31 H new ATOM 0 HE1 HIS A 11 22.248 -24.929 4.459 1.00 41.44 H new ATOM 0 HE2 HIS A 11 24.282 -25.230 5.957 1.00 32.35 H new ATOM 154 N PRO A 12 20.349 -24.113 9.683 1.00 62.10 N ATOM 155 CA PRO A 12 20.377 -25.075 10.798 1.00 31.33 C ATOM 156 C PRO A 12 21.625 -24.961 11.680 1.00 62.52 C ATOM 157 O PRO A 12 22.754 -25.134 11.211 1.00 11.24 O ATOM 158 CB PRO A 12 20.355 -26.421 10.082 1.00 52.40 C ATOM 159 CG PRO A 12 19.562 -26.169 8.846 1.00 51.45 C ATOM 160 CD PRO A 12 19.843 -24.742 8.446 1.00 4.22 C ATOM 0 HA PRO A 12 19.549 -24.910 11.488 1.00 31.33 H new ATOM 0 HB2 PRO A 12 21.363 -26.762 9.845 1.00 52.40 H new ATOM 0 HB3 PRO A 12 19.895 -27.192 10.699 1.00 52.40 H new ATOM 0 HG2 PRO A 12 19.849 -26.859 8.052 1.00 51.45 H new ATOM 0 HG3 PRO A 12 18.498 -26.319 9.029 1.00 51.45 H new ATOM 0 HD2 PRO A 12 20.579 -24.691 7.643 1.00 4.22 H new ATOM 0 HD3 PRO A 12 18.943 -24.245 8.086 1.00 4.22 H new ATOM 168 N PRO A 13 21.426 -24.653 12.972 1.00 72.42 N ATOM 169 CA PRO A 13 22.504 -24.477 13.936 1.00 11.03 C ATOM 170 C PRO A 13 22.896 -25.789 14.620 1.00 21.12 C ATOM 171 O PRO A 13 22.869 -26.859 14.007 1.00 10.42 O ATOM 172 CB PRO A 13 21.898 -23.495 14.957 1.00 63.12 C ATOM 173 CG PRO A 13 20.441 -23.365 14.618 1.00 12.24 C ATOM 174 CD PRO A 13 20.126 -24.423 13.596 1.00 11.22 C ATOM 0 HA PRO A 13 23.421 -24.121 13.468 1.00 11.03 H new ATOM 0 HB2 PRO A 13 22.027 -23.865 15.974 1.00 63.12 H new ATOM 0 HB3 PRO A 13 22.395 -22.527 14.905 1.00 63.12 H new ATOM 0 HG2 PRO A 13 19.826 -23.495 15.508 1.00 12.24 H new ATOM 0 HG3 PRO A 13 20.225 -22.372 14.223 1.00 12.24 H new ATOM 0 HD2 PRO A 13 19.731 -25.328 14.057 1.00 11.22 H new ATOM 0 HD3 PRO A 13 19.383 -24.082 12.874 1.00 11.22 H new ATOM 182 N TRP A 14 23.268 -25.692 15.893 1.00 13.53 N ATOM 183 CA TRP A 14 23.675 -26.850 16.684 1.00 55.11 C ATOM 184 C TRP A 14 22.478 -27.784 16.947 1.00 13.40 C ATOM 185 O TRP A 14 21.367 -27.530 16.474 1.00 31.14 O ATOM 186 CB TRP A 14 24.308 -26.364 18.006 1.00 53.25 C ATOM 187 CG TRP A 14 24.916 -27.454 18.846 1.00 30.52 C ATOM 188 CD1 TRP A 14 24.485 -27.876 20.073 1.00 34.14 C ATOM 189 CD2 TRP A 14 26.050 -28.265 18.518 1.00 32.13 C ATOM 190 NE1 TRP A 14 25.275 -28.906 20.520 1.00 11.25 N ATOM 191 CE2 TRP A 14 26.245 -29.161 19.588 1.00 72.24 C ATOM 192 CE3 TRP A 14 26.918 -28.321 17.424 1.00 52.43 C ATOM 193 CZ2 TRP A 14 27.269 -30.106 19.591 1.00 61.11 C ATOM 194 CZ3 TRP A 14 27.936 -29.258 17.429 1.00 24.33 C ATOM 195 CH2 TRP A 14 28.104 -30.139 18.507 1.00 71.42 C ATOM 0 H TRP A 14 23.296 -24.810 16.405 1.00 13.53 H new ATOM 0 HA TRP A 14 24.415 -27.425 16.128 1.00 55.11 H new ATOM 0 HB2 TRP A 14 25.078 -25.628 17.776 1.00 53.25 H new ATOM 0 HB3 TRP A 14 23.545 -25.854 18.593 1.00 53.25 H new ATOM 0 HD1 TRP A 14 23.646 -27.460 20.611 1.00 34.14 H new ATOM 0 HE1 TRP A 14 25.158 -29.401 21.404 1.00 11.25 H new ATOM 0 HE3 TRP A 14 26.796 -27.645 16.590 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 27.399 -30.788 20.419 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 28.612 -29.312 16.589 1.00 24.33 H new ATOM 0 HH2 TRP A 14 28.909 -30.859 18.481 1.00 71.42 H new ATOM 206 N GLU A 15 22.736 -28.874 17.669 1.00 44.34 N ATOM 207 CA GLU A 15 21.727 -29.865 18.042 1.00 22.34 C ATOM 208 C GLU A 15 20.468 -29.223 18.614 1.00 24.33 C ATOM 209 O GLU A 15 20.435 -28.816 19.776 1.00 3.10 O ATOM 210 CB GLU A 15 22.313 -30.825 19.076 1.00 35.12 C ATOM 211 CG GLU A 15 23.448 -31.681 18.543 1.00 53.31 C ATOM 212 CD GLU A 15 22.958 -32.781 17.630 1.00 41.30 C ATOM 213 OE1 GLU A 15 22.546 -33.842 18.147 1.00 63.35 O ATOM 214 OE2 GLU A 15 22.985 -32.595 16.395 1.00 74.13 O1- ATOM 0 H GLU A 15 23.668 -29.097 18.017 1.00 44.34 H new ATOM 0 HA GLU A 15 21.445 -30.400 17.135 1.00 22.34 H new ATOM 0 HB2 GLU A 15 22.674 -30.250 19.929 1.00 35.12 H new ATOM 0 HB3 GLU A 15 21.520 -31.477 19.443 1.00 35.12 H new ATOM 0 HG2 GLU A 15 24.153 -31.050 18.002 1.00 53.31 H new ATOM 0 HG3 GLU A 15 23.991 -32.121 19.379 1.00 53.31 H new ATOM 221 N GLY A 16 19.440 -29.134 17.789 1.00 71.54 N ATOM 222 CA GLY A 16 18.190 -28.569 18.229 1.00 11.25 C ATOM 223 C GLY A 16 17.407 -27.978 17.086 1.00 0.41 C ATOM 224 O GLY A 16 17.407 -28.521 15.978 1.00 33.22 O ATOM 0 H GLY A 16 19.451 -29.445 16.818 1.00 71.54 H new ATOM 0 HA2 GLY A 16 17.594 -29.341 18.716 1.00 11.25 H new ATOM 0 HA3 GLY A 16 18.383 -27.797 18.974 1.00 11.25 H new ATOM 228 N GLY A 17 16.747 -26.867 17.351 1.00 23.54 N ATOM 229 CA GLY A 17 15.951 -26.217 16.340 1.00 23.21 C ATOM 230 C GLY A 17 15.517 -24.838 16.780 1.00 4.21 C ATOM 231 O GLY A 17 15.984 -24.329 17.797 1.00 73.45 O ATOM 0 H GLY A 17 16.749 -26.400 18.258 1.00 23.54 H new ATOM 0 HA2 GLY A 17 16.525 -26.142 15.416 1.00 23.21 H new ATOM 0 HA3 GLY A 17 15.072 -26.824 16.121 1.00 23.21 H new ATOM 235 N ILE A 18 14.619 -24.228 16.029 1.00 13.11 N ATOM 236 CA ILE A 18 14.141 -22.905 16.371 1.00 4.12 C ATOM 237 C ILE A 18 12.675 -22.927 16.749 1.00 21.53 C ATOM 238 O ILE A 18 11.829 -23.458 16.030 1.00 64.33 O ATOM 239 CB ILE A 18 14.404 -21.890 15.241 1.00 60.43 C ATOM 240 CG1 ILE A 18 15.874 -21.484 15.284 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.500 -20.667 15.367 1.00 50.32 C ATOM 242 CD1 ILE A 18 16.259 -20.436 14.258 1.00 70.34 C ATOM 0 H ILE A 18 14.209 -24.626 15.184 1.00 13.11 H new ATOM 0 HA ILE A 18 14.707 -22.578 17.243 1.00 4.12 H new ATOM 0 HB ILE A 18 14.176 -22.355 14.282 1.00 60.43 H new ATOM 0 HG12 ILE A 18 16.106 -21.104 16.279 1.00 33.34 H new ATOM 0 HG13 ILE A 18 16.489 -22.371 15.130 1.00 33.34 H new ATOM 0 HG21 ILE A 18 13.712 -19.972 14.554 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.457 -20.979 15.315 1.00 50.32 H new ATOM 0 HG23 ILE A 18 13.684 -20.175 16.322 1.00 50.32 H new ATOM 0 HD11 ILE A 18 17.319 -20.204 14.356 1.00 70.34 H new ATOM 0 HD12 ILE A 18 16.062 -20.818 13.256 1.00 70.34 H new ATOM 0 HD13 ILE A 18 15.673 -19.532 14.424 1.00 70.34 H new ATOM 254 N ARG A 19 12.399 -22.353 17.899 1.00 44.43 N ATOM 255 CA ARG A 19 11.061 -22.266 18.426 1.00 12.34 C ATOM 256 C ARG A 19 10.375 -21.031 17.869 1.00 54.31 C ATOM 257 O ARG A 19 10.785 -19.903 18.154 1.00 14.40 O ATOM 258 CB ARG A 19 11.131 -22.195 19.945 1.00 21.13 C ATOM 259 CG ARG A 19 9.774 -22.279 20.626 1.00 74.22 C ATOM 260 CD ARG A 19 9.139 -23.650 20.462 1.00 2.13 C ATOM 261 NE ARG A 19 9.688 -24.629 21.400 1.00 34.34 N ATOM 262 CZ ARG A 19 9.252 -25.884 21.496 1.00 15.24 C ATOM 263 NH1 ARG A 19 8.336 -26.335 20.646 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 9.740 -26.693 22.429 1.00 45.00 N ATOM 0 H ARG A 19 13.107 -21.930 18.499 1.00 44.43 H new ATOM 0 HA ARG A 19 10.486 -23.145 18.134 1.00 12.34 H new ATOM 0 HB2 ARG A 19 11.761 -23.007 20.309 1.00 21.13 H new ATOM 0 HB3 ARG A 19 11.615 -21.262 20.234 1.00 21.13 H new ATOM 0 HG2 ARG A 19 9.886 -22.056 21.687 1.00 74.22 H new ATOM 0 HG3 ARG A 19 9.112 -21.520 20.209 1.00 74.22 H new ATOM 0 HD2 ARG A 19 8.062 -23.570 20.612 1.00 2.13 H new ATOM 0 HD3 ARG A 19 9.294 -24.001 19.442 1.00 2.13 H new ATOM 0 HE ARG A 19 10.447 -24.334 22.015 1.00 34.34 H new ATOM 0 HH11 ARG A 19 7.967 -25.720 19.920 1.00 45.21 H new ATOM 0 HH12 ARG A 19 8.002 -27.296 20.719 1.00 45.21 H new ATOM 0 HH21 ARG A 19 10.452 -26.354 23.076 1.00 45.00 H new ATOM 0 HH22 ARG A 19 9.403 -27.653 22.499 1.00 45.00 H new ATOM 278 N TYR A 20 9.358 -21.243 17.055 1.00 74.35 N ATOM 279 CA TYR A 20 8.636 -20.137 16.458 1.00 40.55 C ATOM 280 C TYR A 20 7.524 -19.653 17.381 1.00 34.25 C ATOM 281 O TYR A 20 7.419 -20.088 18.529 1.00 72.21 O ATOM 282 CB TYR A 20 8.064 -20.551 15.099 1.00 12.44 C ATOM 283 CG TYR A 20 9.127 -20.847 14.064 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.431 -22.155 13.705 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.827 -19.817 13.446 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.402 -22.427 12.761 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.800 -20.081 12.502 1.00 52.11 C ATOM 288 CZ TYR A 20 11.083 -21.386 12.161 1.00 34.52 C ATOM 289 OH TYR A 20 12.048 -21.653 11.216 1.00 22.43 O ATOM 0 H TYR A 20 9.015 -22.167 16.793 1.00 74.35 H new ATOM 0 HA TYR A 20 9.333 -19.312 16.308 1.00 40.55 H new ATOM 0 HB2 TYR A 20 7.439 -21.435 15.230 1.00 12.44 H new ATOM 0 HB3 TYR A 20 7.418 -19.756 14.728 1.00 12.44 H new ATOM 0 HD1 TYR A 20 8.900 -22.971 14.171 1.00 24.23 H new ATOM 0 HD2 TYR A 20 9.606 -18.793 13.709 1.00 1.23 H new ATOM 0 HE1 TYR A 20 10.628 -23.449 12.493 1.00 54.01 H new ATOM 0 HE2 TYR A 20 11.336 -19.269 12.033 1.00 52.11 H new ATOM 0 HH TYR A 20 12.430 -20.811 10.892 1.00 22.43 H new ATOM 299 N ARG A 21 6.688 -18.763 16.870 1.00 4.04 N ATOM 300 CA ARG A 21 5.614 -18.177 17.659 1.00 43.13 C ATOM 301 C ARG A 21 4.267 -18.726 17.199 1.00 4.10 C ATOM 302 O ARG A 21 3.344 -18.892 17.993 1.00 52.41 O ATOM 303 CB ARG A 21 5.657 -16.649 17.533 1.00 74.30 C ATOM 304 CG ARG A 21 4.668 -15.909 18.421 1.00 52.33 C ATOM 305 CD ARG A 21 4.860 -14.403 18.306 1.00 1.31 C ATOM 306 NE ARG A 21 3.863 -13.654 19.067 1.00 72.30 N ATOM 307 CZ ARG A 21 3.727 -12.329 19.015 1.00 63.53 C ATOM 308 NH1 ARG A 21 4.557 -11.594 18.280 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 2.771 -11.740 19.719 1.00 24.04 N ATOM 0 H ARG A 21 6.733 -18.429 15.907 1.00 4.04 H new ATOM 0 HA ARG A 21 5.747 -18.442 18.708 1.00 43.13 H new ATOM 0 HB2 ARG A 21 6.664 -16.307 17.771 1.00 74.30 H new ATOM 0 HB3 ARG A 21 5.465 -16.378 16.495 1.00 74.30 H new ATOM 0 HG2 ARG A 21 3.649 -16.173 18.137 1.00 52.33 H new ATOM 0 HG3 ARG A 21 4.800 -16.219 19.458 1.00 52.33 H new ATOM 0 HD2 ARG A 21 5.857 -14.139 18.660 1.00 1.31 H new ATOM 0 HD3 ARG A 21 4.806 -14.112 17.257 1.00 1.31 H new ATOM 0 HE ARG A 21 3.233 -14.177 19.675 1.00 72.30 H new ATOM 0 HH11 ARG A 21 5.304 -12.044 17.751 1.00 42.32 H new ATOM 0 HH12 ARG A 21 4.446 -10.581 18.245 1.00 42.32 H new ATOM 0 HH21 ARG A 21 2.144 -12.300 20.297 1.00 24.04 H new ATOM 0 HH22 ARG A 21 2.662 -10.726 19.683 1.00 24.04 H new ATOM 323 N GLY A 22 4.170 -19.020 15.908 1.00 11.55 N ATOM 324 CA GLY A 22 2.947 -19.571 15.363 1.00 50.05 C ATOM 325 C GLY A 22 3.182 -20.302 14.056 1.00 71.12 C ATOM 326 O GLY A 22 2.552 -19.992 13.046 1.00 54.54 O ATOM 0 H GLY A 22 4.919 -18.886 15.229 1.00 11.55 H new ATOM 0 HA2 GLY A 22 2.505 -20.256 16.086 1.00 50.05 H new ATOM 0 HA3 GLY A 22 2.228 -18.768 15.204 1.00 50.05 H new ATOM 330 N LEU A 23 4.100 -21.262 14.070 1.00 51.01 N ATOM 331 CA LEU A 23 4.428 -22.031 12.872 1.00 52.44 C ATOM 332 C LEU A 23 4.608 -23.510 13.205 1.00 5.12 C ATOM 333 O LEU A 23 5.551 -23.887 13.901 1.00 0.51 O ATOM 334 CB LEU A 23 5.704 -21.494 12.215 1.00 44.13 C ATOM 335 CG LEU A 23 5.587 -20.108 11.576 1.00 45.22 C ATOM 336 CD1 LEU A 23 6.939 -19.639 11.066 1.00 34.31 C ATOM 337 CD2 LEU A 23 4.573 -20.122 10.442 1.00 3.33 C ATOM 0 H LEU A 23 4.632 -21.528 14.899 1.00 51.01 H new ATOM 0 HA LEU A 23 3.597 -21.926 12.175 1.00 52.44 H new ATOM 0 HB2 LEU A 23 6.492 -21.462 12.967 1.00 44.13 H new ATOM 0 HB3 LEU A 23 6.022 -22.202 11.449 1.00 44.13 H new ATOM 0 HG LEU A 23 5.242 -19.411 12.340 1.00 45.22 H new ATOM 0 HD11 LEU A 23 6.835 -18.652 10.615 1.00 34.31 H new ATOM 0 HD12 LEU A 23 7.643 -19.587 11.897 1.00 34.31 H new ATOM 0 HD13 LEU A 23 7.310 -20.342 10.320 1.00 34.31 H new ATOM 0 HD21 LEU A 23 4.506 -19.127 10.002 1.00 3.33 H new ATOM 0 HD22 LEU A 23 4.889 -20.835 9.680 1.00 3.33 H new ATOM 0 HD23 LEU A 23 3.597 -20.414 10.830 1.00 3.33 H new ATOM 349 N THR A 24 3.686 -24.333 12.727 1.00 45.31 N ATOM 350 CA THR A 24 3.783 -25.777 12.878 1.00 75.32 C ATOM 351 C THR A 24 4.638 -26.363 11.747 1.00 64.12 C ATOM 352 O THR A 24 5.131 -25.621 10.891 1.00 23.12 O ATOM 353 CB THR A 24 2.375 -26.424 12.876 1.00 73.21 C ATOM 354 OG1 THR A 24 2.452 -27.803 13.259 1.00 0.00 O ATOM 355 CG2 THR A 24 1.714 -26.316 11.506 1.00 12.52 C ATOM 0 H THR A 24 2.854 -24.021 12.226 1.00 45.31 H new ATOM 0 HA THR A 24 4.258 -25.996 13.834 1.00 75.32 H new ATOM 0 HB THR A 24 1.768 -25.880 13.599 1.00 73.21 H new ATOM 0 HG1 THR A 24 1.554 -28.195 13.254 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.728 -26.780 11.540 1.00 12.52 H new ATOM 0 HG22 THR A 24 1.612 -25.266 11.233 1.00 12.52 H new ATOM 0 HG23 THR A 24 2.329 -26.825 10.764 1.00 12.52 H new ATOM 363 N ARG A 25 4.820 -27.682 11.745 1.00 3.14 N ATOM 364 CA ARG A 25 5.581 -28.344 10.689 1.00 73.32 C ATOM 365 C ARG A 25 4.770 -28.363 9.392 1.00 50.00 C ATOM 366 O ARG A 25 3.714 -27.725 9.309 1.00 5.42 O ATOM 367 CB ARG A 25 5.951 -29.774 11.099 1.00 33.05 C ATOM 368 CG ARG A 25 4.759 -30.717 11.180 1.00 24.32 C ATOM 369 CD ARG A 25 5.190 -32.151 11.435 1.00 10.33 C ATOM 370 NE ARG A 25 5.771 -32.326 12.762 1.00 33.14 N ATOM 371 CZ ARG A 25 5.244 -33.112 13.701 1.00 2.41 C ATOM 372 NH1 ARG A 25 4.159 -33.831 13.437 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 5.817 -33.198 14.894 1.00 62.54 N ATOM 0 H ARG A 25 4.453 -28.310 12.459 1.00 3.14 H new ATOM 0 HA ARG A 25 6.502 -27.784 10.527 1.00 73.32 H new ATOM 0 HB2 ARG A 25 6.670 -30.173 10.383 1.00 33.05 H new ATOM 0 HB3 ARG A 25 6.448 -29.747 12.069 1.00 33.05 H new ATOM 0 HG2 ARG A 25 4.091 -30.391 11.977 1.00 24.32 H new ATOM 0 HG3 ARG A 25 4.193 -30.668 10.250 1.00 24.32 H new ATOM 0 HD2 ARG A 25 4.330 -32.811 11.327 1.00 10.33 H new ATOM 0 HD3 ARG A 25 5.917 -32.449 10.680 1.00 10.33 H new ATOM 0 HE ARG A 25 6.628 -31.819 12.983 1.00 33.14 H new ATOM 0 HH11 ARG A 25 3.727 -33.783 12.514 1.00 13.30 H new ATOM 0 HH12 ARG A 25 3.758 -34.432 14.157 1.00 13.30 H new ATOM 0 HH21 ARG A 25 6.662 -32.662 15.094 1.00 62.54 H new ATOM 0 HH22 ARG A 25 5.413 -33.800 15.612 1.00 62.54 H new ATOM 387 N ASP A 26 5.269 -29.095 8.389 1.00 11.55 N ATOM 388 CA ASP A 26 4.653 -29.151 7.054 1.00 13.41 C ATOM 389 C ASP A 26 4.903 -27.845 6.307 1.00 2.54 C ATOM 390 O ASP A 26 5.193 -27.839 5.111 1.00 54.04 O ATOM 391 CB ASP A 26 3.151 -29.458 7.136 1.00 51.21 C ATOM 392 CG ASP A 26 2.436 -29.294 5.807 1.00 14.41 C ATOM 393 OD1 ASP A 26 2.420 -30.256 5.011 1.00 15.50 O ATOM 394 OD2 ASP A 26 1.867 -28.210 5.562 1.00 15.44 O1- ATOM 0 H ASP A 26 6.110 -29.665 8.478 1.00 11.55 H new ATOM 0 HA ASP A 26 5.118 -29.967 6.501 1.00 13.41 H new ATOM 0 HB2 ASP A 26 3.014 -30.479 7.492 1.00 51.21 H new ATOM 0 HB3 ASP A 26 2.691 -28.799 7.873 1.00 51.21 H new ATOM 399 N GLN A 27 4.793 -26.743 7.033 1.00 2.23 N ATOM 400 CA GLN A 27 5.172 -25.436 6.537 1.00 4.51 C ATOM 401 C GLN A 27 6.664 -25.229 6.763 1.00 2.23 C ATOM 402 O GLN A 27 7.384 -26.195 7.013 1.00 21.25 O ATOM 403 CB GLN A 27 4.376 -24.346 7.255 1.00 41.02 C ATOM 404 CG GLN A 27 2.876 -24.428 7.015 1.00 12.33 C ATOM 405 CD GLN A 27 2.099 -23.378 7.789 1.00 33.35 C ATOM 406 OE1 GLN A 27 2.589 -23.025 8.968 1.00 70.15 O flip ATOM 407 NE2 GLN A 27 1.060 -22.898 7.335 1.00 42.30 N flip ATOM 0 H GLN A 27 4.436 -26.734 7.988 1.00 2.23 H new ATOM 0 HA GLN A 27 4.953 -25.377 5.471 1.00 4.51 H new ATOM 0 HB2 GLN A 27 4.568 -24.413 8.326 1.00 41.02 H new ATOM 0 HB3 GLN A 27 4.735 -23.370 6.927 1.00 41.02 H new ATOM 0 HG2 GLN A 27 2.676 -24.310 5.950 1.00 12.33 H new ATOM 0 HG3 GLN A 27 2.521 -25.419 7.298 1.00 12.33 H new ATOM 0 HE21 GLN A 27 0.716 -23.197 6.422 1.00 42.30 H new ATOM 0 HE22 GLN A 27 0.543 -22.201 7.872 1.00 42.30 H new ATOM 416 N VAL A 28 7.111 -23.970 6.657 1.00 40.51 N ATOM 417 CA VAL A 28 8.520 -23.570 6.867 1.00 21.23 C ATOM 418 C VAL A 28 9.498 -24.425 6.054 1.00 20.45 C ATOM 419 O VAL A 28 10.697 -24.456 6.326 1.00 35.23 O ATOM 420 CB VAL A 28 8.935 -23.554 8.371 1.00 75.00 C ATOM 421 CG1 VAL A 28 7.942 -22.745 9.190 1.00 3.34 C ATOM 422 CG2 VAL A 28 9.096 -24.954 8.959 1.00 12.44 C ATOM 0 H VAL A 28 6.501 -23.187 6.420 1.00 40.51 H new ATOM 0 HA VAL A 28 8.580 -22.545 6.502 1.00 21.23 H new ATOM 0 HB VAL A 28 9.915 -23.079 8.419 1.00 75.00 H new ATOM 0 HG11 VAL A 28 8.248 -22.745 10.236 1.00 3.34 H new ATOM 0 HG12 VAL A 28 7.915 -21.720 8.820 1.00 3.34 H new ATOM 0 HG13 VAL A 28 6.950 -23.189 9.102 1.00 3.34 H new ATOM 0 HG21 VAL A 28 9.385 -24.877 10.007 1.00 12.44 H new ATOM 0 HG22 VAL A 28 8.151 -25.492 8.882 1.00 12.44 H new ATOM 0 HG23 VAL A 28 9.867 -25.493 8.408 1.00 12.44 H new ATOM 432 N LYS A 29 8.978 -25.070 5.019 1.00 1.44 N ATOM 433 CA LYS A 29 9.782 -25.921 4.156 1.00 53.22 C ATOM 434 C LYS A 29 10.561 -25.080 3.152 1.00 71.12 C ATOM 435 O LYS A 29 11.545 -25.534 2.567 1.00 33.02 O ATOM 436 CB LYS A 29 8.873 -26.923 3.436 1.00 54.41 C ATOM 437 CG LYS A 29 7.824 -26.272 2.548 1.00 70.52 C ATOM 438 CD LYS A 29 6.711 -27.242 2.181 1.00 33.02 C ATOM 439 CE LYS A 29 7.242 -28.491 1.502 1.00 11.13 C ATOM 440 NZ LYS A 29 6.148 -29.440 1.168 1.00 21.55 N1+ ATOM 0 H LYS A 29 7.994 -25.018 4.756 1.00 1.44 H new ATOM 0 HA LYS A 29 10.502 -26.469 4.763 1.00 53.22 H new ATOM 0 HB2 LYS A 29 9.489 -27.587 2.829 1.00 54.41 H new ATOM 0 HB3 LYS A 29 8.372 -27.544 4.179 1.00 54.41 H new ATOM 0 HG2 LYS A 29 7.399 -25.409 3.061 1.00 70.52 H new ATOM 0 HG3 LYS A 29 8.297 -25.901 1.639 1.00 70.52 H new ATOM 0 HD2 LYS A 29 6.165 -27.524 3.081 1.00 33.02 H new ATOM 0 HD3 LYS A 29 6.001 -26.745 1.520 1.00 33.02 H new ATOM 0 HE2 LYS A 29 7.774 -28.213 0.592 1.00 11.13 H new ATOM 0 HE3 LYS A 29 7.963 -28.982 2.155 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 6.548 -30.281 0.705 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 5.657 -29.724 2.040 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 5.473 -28.979 0.525 1.00 21.55 H new ATOM 454 N ALA A 30 10.101 -23.848 2.965 1.00 52.32 N ATOM 455 CA ALA A 30 10.749 -22.905 2.066 1.00 14.13 C ATOM 456 C ALA A 30 10.232 -21.492 2.302 1.00 61.32 C ATOM 457 O ALA A 30 10.083 -20.708 1.366 1.00 75.11 O ATOM 458 CB ALA A 30 10.531 -23.316 0.621 1.00 4.23 C ATOM 0 H ALA A 30 9.272 -23.478 3.431 1.00 52.32 H new ATOM 0 HA ALA A 30 11.819 -22.915 2.272 1.00 14.13 H new ATOM 0 HB1 ALA A 30 11.022 -22.601 -0.039 1.00 4.23 H new ATOM 0 HB2 ALA A 30 10.952 -24.308 0.458 1.00 4.23 H new ATOM 0 HB3 ALA A 30 9.463 -23.335 0.405 1.00 4.23 H new ATOM 464 N ILE A 31 9.954 -21.172 3.560 1.00 25.12 N ATOM 465 CA ILE A 31 9.555 -19.820 3.926 1.00 40.14 C ATOM 466 C ILE A 31 10.785 -18.921 3.920 1.00 74.23 C ATOM 467 O ILE A 31 11.852 -19.319 4.382 1.00 4.24 O ATOM 468 CB ILE A 31 8.857 -19.784 5.308 1.00 34.44 C ATOM 469 CG1 ILE A 31 7.511 -20.514 5.228 1.00 11.21 C ATOM 470 CG2 ILE A 31 8.664 -18.349 5.787 1.00 41.23 C ATOM 471 CD1 ILE A 31 6.704 -20.471 6.508 1.00 3.32 C ATOM 0 H ILE A 31 9.997 -21.827 4.340 1.00 25.12 H new ATOM 0 HA ILE A 31 8.832 -19.459 3.195 1.00 40.14 H new ATOM 0 HB ILE A 31 9.494 -20.292 6.033 1.00 34.44 H new ATOM 0 HG12 ILE A 31 6.920 -20.075 4.424 1.00 11.21 H new ATOM 0 HG13 ILE A 31 7.691 -21.555 4.960 1.00 11.21 H new ATOM 0 HG21 ILE A 31 8.172 -18.353 6.760 1.00 41.23 H new ATOM 0 HG22 ILE A 31 9.635 -17.861 5.874 1.00 41.23 H new ATOM 0 HG23 ILE A 31 8.047 -17.806 5.071 1.00 41.23 H new ATOM 0 HD11 ILE A 31 5.767 -21.010 6.366 1.00 3.32 H new ATOM 0 HD12 ILE A 31 7.273 -20.937 7.313 1.00 3.32 H new ATOM 0 HD13 ILE A 31 6.490 -19.434 6.769 1.00 3.32 H new ATOM 483 N ASN A 32 10.650 -17.728 3.372 1.00 72.34 N ATOM 484 CA ASN A 32 11.800 -16.858 3.177 1.00 15.12 C ATOM 485 C ASN A 32 11.697 -15.584 4.003 1.00 73.04 C ATOM 486 O ASN A 32 12.711 -14.974 4.333 1.00 13.03 O ATOM 487 CB ASN A 32 11.945 -16.514 1.693 1.00 71.30 C ATOM 488 CG ASN A 32 12.422 -17.693 0.863 1.00 3.15 C ATOM 489 OD1 ASN A 32 13.243 -18.495 1.308 1.00 51.12 O ATOM 490 ND2 ASN A 32 11.890 -17.823 -0.339 1.00 22.03 N ATOM 0 H ASN A 32 9.762 -17.339 3.055 1.00 72.34 H new ATOM 0 HA ASN A 32 12.685 -17.396 3.517 1.00 15.12 H new ATOM 0 HB2 ASN A 32 10.985 -16.169 1.309 1.00 71.30 H new ATOM 0 HB3 ASN A 32 12.648 -15.689 1.582 1.00 71.30 H new ATOM 0 HD21 ASN A 32 12.157 -18.608 -0.933 1.00 22.03 H new ATOM 0 HD22 ASN A 32 11.212 -17.138 -0.674 1.00 22.03 H new ATOM 497 N PHE A 33 10.481 -15.177 4.343 1.00 4.32 N ATOM 498 CA PHE A 33 10.287 -13.912 5.038 1.00 60.13 C ATOM 499 C PHE A 33 9.369 -14.068 6.246 1.00 71.25 C ATOM 500 O PHE A 33 8.164 -14.278 6.103 1.00 43.02 O ATOM 501 CB PHE A 33 9.703 -12.869 4.080 1.00 25.12 C ATOM 502 CG PHE A 33 10.454 -12.758 2.785 1.00 51.52 C ATOM 503 CD1 PHE A 33 9.870 -13.167 1.596 1.00 50.10 C ATOM 504 CD2 PHE A 33 11.745 -12.263 2.758 1.00 1.10 C ATOM 505 CE1 PHE A 33 10.562 -13.080 0.404 1.00 3.21 C ATOM 506 CE2 PHE A 33 12.442 -12.172 1.570 1.00 62.54 C ATOM 507 CZ PHE A 33 11.849 -12.582 0.391 1.00 65.33 C ATOM 0 H PHE A 33 9.624 -15.697 4.152 1.00 4.32 H new ATOM 0 HA PHE A 33 11.262 -13.579 5.394 1.00 60.13 H new ATOM 0 HB2 PHE A 33 8.665 -13.123 3.868 1.00 25.12 H new ATOM 0 HB3 PHE A 33 9.699 -11.897 4.573 1.00 25.12 H new ATOM 0 HD1 PHE A 33 8.863 -13.558 1.602 1.00 50.10 H new ATOM 0 HD2 PHE A 33 12.213 -11.944 3.677 1.00 1.10 H new ATOM 0 HE1 PHE A 33 10.097 -13.401 -0.516 1.00 3.21 H new ATOM 0 HE2 PHE A 33 13.449 -11.781 1.562 1.00 62.54 H new ATOM 0 HZ PHE A 33 12.392 -12.513 -0.540 1.00 65.33 H new ATOM 517 N LEU A 34 9.945 -13.960 7.434 1.00 45.21 N ATOM 518 CA LEU A 34 9.168 -13.939 8.666 1.00 44.33 C ATOM 519 C LEU A 34 8.754 -12.505 8.978 1.00 61.32 C ATOM 520 O LEU A 34 9.585 -11.600 8.963 1.00 5.11 O ATOM 521 CB LEU A 34 9.967 -14.527 9.841 1.00 2.10 C ATOM 522 CG LEU A 34 10.100 -16.058 9.867 1.00 42.44 C ATOM 523 CD1 LEU A 34 8.735 -16.715 9.773 1.00 10.42 C ATOM 524 CD2 LEU A 34 11.009 -16.560 8.753 1.00 73.11 C ATOM 0 H LEU A 34 10.953 -13.885 7.572 1.00 45.21 H new ATOM 0 HA LEU A 34 8.281 -14.556 8.526 1.00 44.33 H new ATOM 0 HB2 LEU A 34 10.968 -14.096 9.826 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.496 -14.207 10.771 1.00 2.10 H new ATOM 0 HG LEU A 34 10.557 -16.332 10.818 1.00 42.44 H new ATOM 0 HD11 LEU A 34 8.851 -17.799 9.793 1.00 10.42 H new ATOM 0 HD12 LEU A 34 8.121 -16.400 10.617 1.00 10.42 H new ATOM 0 HD13 LEU A 34 8.252 -16.419 8.842 1.00 10.42 H new ATOM 0 HD21 LEU A 34 11.079 -17.647 8.803 1.00 73.11 H new ATOM 0 HD22 LEU A 34 10.597 -16.267 7.787 1.00 73.11 H new ATOM 0 HD23 LEU A 34 12.002 -16.126 8.871 1.00 73.11 H new ATOM 536 N PRO A 35 7.459 -12.280 9.247 1.00 32.22 N ATOM 537 CA PRO A 35 6.911 -10.931 9.466 1.00 5.03 C ATOM 538 C PRO A 35 7.512 -10.217 10.677 1.00 10.23 C ATOM 539 O PRO A 35 8.094 -10.842 11.565 1.00 63.24 O ATOM 540 CB PRO A 35 5.414 -11.179 9.682 1.00 22.10 C ATOM 541 CG PRO A 35 5.310 -12.611 10.079 1.00 24.21 C ATOM 542 CD PRO A 35 6.421 -13.318 9.361 1.00 34.40 C ATOM 0 HA PRO A 35 7.138 -10.276 8.625 1.00 5.03 H new ATOM 0 HB2 PRO A 35 5.014 -10.525 10.457 1.00 22.10 H new ATOM 0 HB3 PRO A 35 4.846 -10.980 8.773 1.00 22.10 H new ATOM 0 HG2 PRO A 35 5.408 -12.725 11.159 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.340 -13.024 9.801 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.776 -14.183 9.921 1.00 34.40 H new ATOM 0 HD3 PRO A 35 6.103 -13.679 8.383 1.00 34.40 H new ATOM 550 N VAL A 36 7.354 -8.898 10.696 1.00 60.55 N ATOM 551 CA VAL A 36 7.846 -8.062 11.786 1.00 53.33 C ATOM 552 C VAL A 36 7.144 -8.423 13.103 1.00 1.10 C ATOM 553 O VAL A 36 6.062 -9.022 13.085 1.00 72.31 O ATOM 554 CB VAL A 36 7.629 -6.561 11.456 1.00 4.21 C ATOM 555 CG1 VAL A 36 6.147 -6.225 11.391 1.00 64.12 C ATOM 556 CG2 VAL A 36 8.346 -5.663 12.453 1.00 25.11 C ATOM 0 H VAL A 36 6.881 -8.378 9.957 1.00 60.55 H new ATOM 0 HA VAL A 36 8.914 -8.244 11.903 1.00 53.33 H new ATOM 0 HB VAL A 36 8.062 -6.375 10.473 1.00 4.21 H new ATOM 0 HG11 VAL A 36 6.024 -5.167 11.158 1.00 64.12 H new ATOM 0 HG12 VAL A 36 5.672 -6.825 10.615 1.00 64.12 H new ATOM 0 HG13 VAL A 36 5.682 -6.441 12.353 1.00 64.12 H new ATOM 0 HG21 VAL A 36 8.173 -4.619 12.192 1.00 25.11 H new ATOM 0 HG22 VAL A 36 7.964 -5.855 13.456 1.00 25.11 H new ATOM 0 HG23 VAL A 36 9.416 -5.871 12.426 1.00 25.11 H new ATOM 566 N ASP A 37 7.788 -8.092 14.232 1.00 75.53 N ATOM 567 CA ASP A 37 7.243 -8.339 15.581 1.00 0.24 C ATOM 568 C ASP A 37 7.391 -9.810 15.971 1.00 61.43 C ATOM 569 O ASP A 37 7.095 -10.207 17.099 1.00 74.15 O ATOM 570 CB ASP A 37 5.771 -7.882 15.671 1.00 1.03 C ATOM 571 CG ASP A 37 5.124 -8.156 17.020 1.00 73.54 C ATOM 572 OD1 ASP A 37 5.480 -7.484 18.010 1.00 11.24 O ATOM 573 OD2 ASP A 37 4.231 -9.029 17.087 1.00 24.30 O1- ATOM 0 H ASP A 37 8.704 -7.644 14.238 1.00 75.53 H new ATOM 0 HA ASP A 37 7.820 -7.748 16.292 1.00 0.24 H new ATOM 0 HB2 ASP A 37 5.719 -6.813 15.464 1.00 1.03 H new ATOM 0 HB3 ASP A 37 5.196 -8.385 14.894 1.00 1.03 H new ATOM 578 N TYR A 38 7.889 -10.612 15.043 1.00 64.13 N ATOM 579 CA TYR A 38 8.065 -12.036 15.279 1.00 64.04 C ATOM 580 C TYR A 38 9.345 -12.284 16.076 1.00 13.41 C ATOM 581 O TYR A 38 10.427 -11.856 15.671 1.00 72.14 O ATOM 582 CB TYR A 38 8.133 -12.776 13.942 1.00 31.23 C ATOM 583 CG TYR A 38 7.628 -14.200 13.991 1.00 53.15 C ATOM 584 CD1 TYR A 38 8.449 -15.244 14.397 1.00 63.21 C ATOM 585 CD2 TYR A 38 6.323 -14.496 13.623 1.00 42.20 C ATOM 586 CE1 TYR A 38 7.982 -16.544 14.431 1.00 51.34 C ATOM 587 CE2 TYR A 38 5.848 -15.792 13.654 1.00 74.11 C ATOM 588 CZ TYR A 38 6.681 -16.811 14.060 1.00 52.12 C ATOM 589 OH TYR A 38 6.209 -18.106 14.093 1.00 52.04 O ATOM 0 H TYR A 38 8.179 -10.299 14.116 1.00 64.13 H new ATOM 0 HA TYR A 38 7.216 -12.408 15.853 1.00 64.04 H new ATOM 0 HB2 TYR A 38 7.552 -12.222 13.204 1.00 31.23 H new ATOM 0 HB3 TYR A 38 9.166 -12.781 13.596 1.00 31.23 H new ATOM 0 HD1 TYR A 38 9.467 -15.037 14.690 1.00 63.21 H new ATOM 0 HD2 TYR A 38 5.667 -13.698 13.307 1.00 42.20 H new ATOM 0 HE1 TYR A 38 8.632 -17.347 14.746 1.00 51.34 H new ATOM 0 HE2 TYR A 38 4.830 -16.005 13.362 1.00 74.11 H new ATOM 0 HH TYR A 38 5.273 -18.121 13.802 1.00 52.04 H new ATOM 599 N GLU A 39 9.211 -12.949 17.216 1.00 24.42 N ATOM 600 CA GLU A 39 10.362 -13.327 18.025 1.00 12.31 C ATOM 601 C GLU A 39 10.470 -14.844 18.101 1.00 14.54 C ATOM 602 O GLU A 39 9.457 -15.539 18.186 1.00 3.41 O ATOM 603 CB GLU A 39 10.251 -12.740 19.432 1.00 45.13 C ATOM 604 CG GLU A 39 10.231 -11.220 19.462 1.00 72.52 C ATOM 605 CD GLU A 39 9.980 -10.672 20.849 1.00 31.14 C ATOM 606 OE1 GLU A 39 8.807 -10.645 21.278 1.00 5.53 O ATOM 607 OE2 GLU A 39 10.949 -10.253 21.517 1.00 51.15 O1- ATOM 0 H GLU A 39 8.313 -13.239 17.602 1.00 24.42 H new ATOM 0 HA GLU A 39 11.260 -12.927 17.554 1.00 12.31 H new ATOM 0 HB2 GLU A 39 9.342 -13.116 19.902 1.00 45.13 H new ATOM 0 HB3 GLU A 39 11.089 -13.095 20.031 1.00 45.13 H new ATOM 0 HG2 GLU A 39 11.183 -10.840 19.091 1.00 72.52 H new ATOM 0 HG3 GLU A 39 9.457 -10.856 18.786 1.00 72.52 H new ATOM 614 N ILE A 40 11.694 -15.351 18.063 1.00 4.54 N ATOM 615 CA ILE A 40 11.924 -16.790 18.083 1.00 42.33 C ATOM 616 C ILE A 40 12.787 -17.202 19.272 1.00 75.11 C ATOM 617 O ILE A 40 13.493 -16.378 19.860 1.00 0.45 O ATOM 618 CB ILE A 40 12.603 -17.277 16.785 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.908 -16.510 16.557 1.00 63.20 C ATOM 620 CG2 ILE A 40 11.663 -17.120 15.598 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.700 -16.985 15.359 1.00 11.34 C ATOM 0 H ILE A 40 12.543 -14.788 18.018 1.00 4.54 H new ATOM 0 HA ILE A 40 10.942 -17.255 18.170 1.00 42.33 H new ATOM 0 HB ILE A 40 12.839 -18.336 16.886 1.00 22.13 H new ATOM 0 HG12 ILE A 40 13.678 -15.452 16.431 1.00 63.20 H new ATOM 0 HG13 ILE A 40 14.529 -16.598 17.448 1.00 63.20 H new ATOM 0 HG21 ILE A 40 12.159 -17.468 14.692 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.762 -17.709 15.767 1.00 63.11 H new ATOM 0 HG23 ILE A 40 11.394 -16.070 15.483 1.00 63.11 H new ATOM 0 HD11 ILE A 40 15.610 -16.392 15.266 1.00 11.34 H new ATOM 0 HD12 ILE A 40 14.963 -18.035 15.490 1.00 11.34 H new ATOM 0 HD13 ILE A 40 14.099 -16.871 14.457 1.00 11.34 H new ATOM 633 N GLU A 41 12.728 -18.483 19.604 1.00 61.12 N ATOM 634 CA GLU A 41 13.493 -19.041 20.709 1.00 13.03 C ATOM 635 C GLU A 41 14.424 -20.145 20.200 1.00 60.15 C ATOM 636 O GLU A 41 14.140 -20.789 19.190 1.00 54.15 O ATOM 637 CB GLU A 41 12.533 -19.590 21.771 1.00 74.33 C ATOM 638 CG GLU A 41 13.218 -20.217 22.978 1.00 15.40 C ATOM 639 CD GLU A 41 12.231 -20.743 24.000 1.00 2.52 C ATOM 640 OE1 GLU A 41 12.066 -20.102 25.056 1.00 21.53 O ATOM 641 OE2 GLU A 41 11.610 -21.795 23.750 1.00 65.45 O1- ATOM 0 H GLU A 41 12.148 -19.165 19.115 1.00 61.12 H new ATOM 0 HA GLU A 41 14.105 -18.259 21.158 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.890 -18.780 22.114 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.887 -20.336 21.308 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.859 -21.033 22.644 1.00 15.40 H new ATOM 0 HG3 GLU A 41 13.864 -19.477 23.450 1.00 15.40 H new ATOM 648 N TYR A 42 15.537 -20.351 20.887 1.00 75.13 N ATOM 649 CA TYR A 42 16.492 -21.387 20.509 1.00 70.02 C ATOM 650 C TYR A 42 16.348 -22.611 21.399 1.00 70.13 C ATOM 651 O TYR A 42 16.774 -22.603 22.553 1.00 31.24 O ATOM 652 CB TYR A 42 17.924 -20.856 20.559 1.00 71.13 C ATOM 653 CG TYR A 42 18.322 -20.108 19.310 1.00 14.45 C ATOM 654 CD1 TYR A 42 19.037 -20.743 18.306 1.00 42.45 C ATOM 655 CD2 TYR A 42 17.973 -18.777 19.127 1.00 74.53 C ATOM 656 CE1 TYR A 42 19.395 -20.076 17.155 1.00 52.40 C ATOM 657 CE2 TYR A 42 18.328 -18.100 17.975 1.00 60.14 C ATOM 658 CZ TYR A 42 19.039 -18.757 16.993 1.00 71.20 C ATOM 659 OH TYR A 42 19.393 -18.094 15.843 1.00 33.12 O ATOM 0 H TYR A 42 15.804 -19.814 21.712 1.00 75.13 H new ATOM 0 HA TYR A 42 16.272 -21.682 19.483 1.00 70.02 H new ATOM 0 HB2 TYR A 42 18.031 -20.196 21.420 1.00 71.13 H new ATOM 0 HB3 TYR A 42 18.609 -21.690 20.710 1.00 71.13 H new ATOM 0 HD1 TYR A 42 19.318 -21.779 18.428 1.00 42.45 H new ATOM 0 HD2 TYR A 42 17.416 -18.263 19.896 1.00 74.53 H new ATOM 0 HE1 TYR A 42 19.953 -20.586 16.383 1.00 52.40 H new ATOM 0 HE2 TYR A 42 18.051 -17.064 17.845 1.00 60.14 H new ATOM 0 HH TYR A 42 19.438 -18.730 15.099 1.00 33.12 H new ATOM 669 N VAL A 43 15.712 -23.646 20.870 1.00 14.33 N ATOM 670 CA VAL A 43 15.488 -24.872 21.622 1.00 13.01 C ATOM 671 C VAL A 43 16.470 -25.965 21.207 1.00 43.53 C ATOM 672 O VAL A 43 16.959 -25.987 20.076 1.00 23.35 O ATOM 673 CB VAL A 43 14.038 -25.388 21.461 1.00 2.42 C ATOM 674 CG1 VAL A 43 13.057 -24.408 22.087 1.00 12.10 C ATOM 675 CG2 VAL A 43 13.695 -25.628 19.996 1.00 10.23 C ATOM 0 H VAL A 43 15.341 -23.661 19.920 1.00 14.33 H new ATOM 0 HA VAL A 43 15.653 -24.628 22.672 1.00 13.01 H new ATOM 0 HB VAL A 43 13.960 -26.343 21.980 1.00 2.42 H new ATOM 0 HG11 VAL A 43 12.041 -24.783 21.967 1.00 12.10 H new ATOM 0 HG12 VAL A 43 13.280 -24.298 23.148 1.00 12.10 H new ATOM 0 HG13 VAL A 43 13.147 -23.439 21.595 1.00 12.10 H new ATOM 0 HG21 VAL A 43 12.670 -25.990 19.917 1.00 10.23 H new ATOM 0 HG22 VAL A 43 13.794 -24.695 19.442 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.375 -26.371 19.580 1.00 10.23 H new ATOM 685 N CYS A 44 16.749 -26.868 22.133 1.00 44.41 N ATOM 686 CA CYS A 44 17.693 -27.952 21.901 1.00 33.42 C ATOM 687 C CYS A 44 16.919 -29.231 21.586 1.00 23.24 C ATOM 688 O CYS A 44 15.688 -29.214 21.548 1.00 51.42 O ATOM 689 CB CYS A 44 18.571 -28.126 23.148 1.00 2.24 C ATOM 690 SG CYS A 44 20.034 -29.198 22.949 1.00 3.51 S ATOM 0 H CYS A 44 16.330 -26.872 23.063 1.00 44.41 H new ATOM 0 HA CYS A 44 18.339 -27.724 21.053 1.00 33.42 H new ATOM 0 HB2 CYS A 44 18.908 -27.141 23.472 1.00 2.24 H new ATOM 0 HB3 CYS A 44 17.954 -28.532 23.950 1.00 2.24 H new ATOM 695 N ARG A 45 17.628 -30.330 21.349 1.00 62.05 N ATOM 696 CA ARG A 45 16.985 -31.600 21.026 1.00 5.01 C ATOM 697 C ARG A 45 16.162 -32.123 22.202 1.00 54.03 C ATOM 698 O ARG A 45 16.712 -32.525 23.225 1.00 24.32 O ATOM 699 CB ARG A 45 18.029 -32.642 20.614 1.00 71.44 C ATOM 700 CG ARG A 45 18.629 -32.391 19.241 1.00 42.32 C ATOM 701 CD ARG A 45 17.561 -32.448 18.163 1.00 12.32 C ATOM 702 NE ARG A 45 18.110 -32.255 16.823 1.00 32.41 N ATOM 703 CZ ARG A 45 17.365 -32.165 15.723 1.00 70.05 C ATOM 704 NH1 ARG A 45 16.039 -32.166 15.807 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 17.951 -32.044 14.542 1.00 35.41 N ATOM 0 H ARG A 45 18.647 -30.367 21.374 1.00 62.05 H new ATOM 0 HA ARG A 45 16.309 -31.423 20.189 1.00 5.01 H new ATOM 0 HB2 ARG A 45 18.829 -32.655 21.354 1.00 71.44 H new ATOM 0 HB3 ARG A 45 17.568 -33.630 20.625 1.00 71.44 H new ATOM 0 HG2 ARG A 45 19.115 -31.416 19.225 1.00 42.32 H new ATOM 0 HG3 ARG A 45 19.399 -33.134 19.035 1.00 42.32 H new ATOM 0 HD2 ARG A 45 17.053 -33.411 18.209 1.00 12.32 H new ATOM 0 HD3 ARG A 45 16.810 -31.682 18.359 1.00 12.32 H new ATOM 0 HE ARG A 45 19.123 -32.185 16.724 1.00 32.41 H new ATOM 0 HH11 ARG A 45 15.586 -32.236 16.718 1.00 54.35 H new ATOM 0 HH12 ARG A 45 15.474 -32.097 14.960 1.00 54.35 H new ATOM 0 HH21 ARG A 45 18.969 -32.020 14.478 1.00 35.41 H new ATOM 0 HH22 ARG A 45 17.385 -31.975 13.696 1.00 35.41 H new ATOM 719 N GLY A 46 14.843 -32.100 22.050 1.00 62.21 N ATOM 720 CA GLY A 46 13.962 -32.588 23.094 1.00 35.13 C ATOM 721 C GLY A 46 13.695 -31.533 24.144 1.00 50.42 C ATOM 722 O GLY A 46 13.697 -30.342 23.844 1.00 24.32 O ATOM 0 H GLY A 46 14.366 -31.751 21.219 1.00 62.21 H new ATOM 0 HA2 GLY A 46 13.018 -32.908 22.653 1.00 35.13 H new ATOM 0 HA3 GLY A 46 14.407 -33.464 23.565 1.00 35.13 H new ATOM 726 N GLU A 47 13.481 -31.964 25.378 1.00 62.41 N ATOM 727 CA GLU A 47 13.225 -31.038 26.472 1.00 21.42 C ATOM 728 C GLU A 47 14.529 -30.658 27.165 1.00 12.53 C ATOM 729 O GLU A 47 14.580 -30.482 28.382 1.00 4.41 O ATOM 730 CB GLU A 47 12.236 -31.643 27.472 1.00 22.13 C ATOM 731 CG GLU A 47 12.626 -33.020 27.984 1.00 11.01 C ATOM 732 CD GLU A 47 11.656 -33.541 29.019 1.00 54.23 C ATOM 733 OE1 GLU A 47 10.524 -33.898 28.649 1.00 31.03 O ATOM 734 OE2 GLU A 47 12.024 -33.588 30.213 1.00 71.43 O1- ATOM 0 H GLU A 47 13.479 -32.948 25.647 1.00 62.41 H new ATOM 0 HA GLU A 47 12.779 -30.133 26.060 1.00 21.42 H new ATOM 0 HB2 GLU A 47 12.137 -30.967 28.321 1.00 22.13 H new ATOM 0 HB3 GLU A 47 11.255 -31.708 27.001 1.00 22.13 H new ATOM 0 HG2 GLU A 47 12.671 -33.717 27.147 1.00 11.01 H new ATOM 0 HG3 GLU A 47 13.626 -32.975 28.416 1.00 11.01 H new ATOM 741 N ARG A 48 15.581 -30.508 26.376 1.00 3.22 N ATOM 742 CA ARG A 48 16.863 -30.083 26.902 1.00 11.31 C ATOM 743 C ARG A 48 16.918 -28.566 26.891 1.00 51.34 C ATOM 744 O ARG A 48 17.009 -27.939 25.834 1.00 74.21 O ATOM 745 CB ARG A 48 18.013 -30.670 26.080 1.00 14.32 C ATOM 746 CG ARG A 48 17.976 -32.188 25.976 1.00 42.31 C ATOM 747 CD ARG A 48 18.070 -32.851 27.341 1.00 42.54 C ATOM 748 NE ARG A 48 19.400 -32.708 27.930 1.00 62.44 N ATOM 749 CZ ARG A 48 19.703 -33.056 29.180 1.00 10.24 C ATOM 750 NH1 ARG A 48 18.761 -33.509 29.999 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 20.951 -32.938 29.618 1.00 20.12 N ATOM 0 H ARG A 48 15.570 -30.675 25.370 1.00 3.22 H new ATOM 0 HA ARG A 48 16.972 -30.446 27.924 1.00 11.31 H new ATOM 0 HB2 ARG A 48 17.985 -30.245 25.077 1.00 14.32 H new ATOM 0 HB3 ARG A 48 18.960 -30.368 26.528 1.00 14.32 H new ATOM 0 HG2 ARG A 48 17.053 -32.496 25.485 1.00 42.31 H new ATOM 0 HG3 ARG A 48 18.800 -32.529 25.349 1.00 42.31 H new ATOM 0 HD2 ARG A 48 17.329 -32.412 28.009 1.00 42.54 H new ATOM 0 HD3 ARG A 48 17.827 -33.909 27.247 1.00 42.54 H new ATOM 0 HE ARG A 48 20.142 -32.318 27.349 1.00 62.44 H new ATOM 0 HH11 ARG A 48 17.798 -33.592 29.672 1.00 25.54 H new ATOM 0 HH12 ARG A 48 19.000 -33.774 30.955 1.00 25.54 H new ATOM 0 HH21 ARG A 48 21.678 -32.581 28.998 1.00 20.12 H new ATOM 0 HH22 ARG A 48 21.183 -33.204 30.575 1.00 20.12 H new ATOM 765 N GLU A 49 16.847 -27.982 28.074 1.00 44.11 N ATOM 766 CA GLU A 49 16.706 -26.543 28.209 1.00 30.02 C ATOM 767 C GLU A 49 18.034 -25.839 27.982 1.00 63.13 C ATOM 768 O GLU A 49 19.096 -26.361 28.315 1.00 72.31 O ATOM 769 CB GLU A 49 16.166 -26.193 29.594 1.00 5.24 C ATOM 770 CG GLU A 49 14.873 -26.911 29.939 1.00 21.11 C ATOM 771 CD GLU A 49 14.361 -26.544 31.312 1.00 74.41 C ATOM 772 OE1 GLU A 49 14.866 -27.107 32.306 1.00 50.41 O ATOM 773 OE2 GLU A 49 13.444 -25.700 31.403 1.00 41.04 O1- ATOM 0 H GLU A 49 16.885 -28.486 28.960 1.00 44.11 H new ATOM 0 HA GLU A 49 16.002 -26.202 27.450 1.00 30.02 H new ATOM 0 HB2 GLU A 49 16.920 -26.439 30.342 1.00 5.24 H new ATOM 0 HB3 GLU A 49 16.001 -25.117 29.650 1.00 5.24 H new ATOM 0 HG2 GLU A 49 14.115 -26.668 29.194 1.00 21.11 H new ATOM 0 HG3 GLU A 49 15.034 -27.988 29.890 1.00 21.11 H new ATOM 780 N VAL A 50 17.963 -24.661 27.391 1.00 34.14 N ATOM 781 CA VAL A 50 19.148 -23.870 27.129 1.00 54.31 C ATOM 782 C VAL A 50 19.286 -22.766 28.162 1.00 4.42 C ATOM 783 O VAL A 50 18.289 -22.291 28.711 1.00 41.03 O ATOM 784 CB VAL A 50 19.111 -23.232 25.723 1.00 15.41 C ATOM 785 CG1 VAL A 50 19.063 -24.302 24.643 1.00 14.02 C ATOM 786 CG2 VAL A 50 17.928 -22.284 25.587 1.00 31.42 C ATOM 0 H VAL A 50 17.092 -24.230 27.082 1.00 34.14 H new ATOM 0 HA VAL A 50 20.002 -24.545 27.185 1.00 54.31 H new ATOM 0 HB VAL A 50 20.027 -22.656 25.593 1.00 15.41 H new ATOM 0 HG11 VAL A 50 19.038 -23.828 23.662 1.00 14.02 H new ATOM 0 HG12 VAL A 50 19.948 -24.934 24.718 1.00 14.02 H new ATOM 0 HG13 VAL A 50 18.169 -24.912 24.775 1.00 14.02 H new ATOM 0 HG21 VAL A 50 17.924 -21.848 24.588 1.00 31.42 H new ATOM 0 HG22 VAL A 50 17.001 -22.834 25.746 1.00 31.42 H new ATOM 0 HG23 VAL A 50 18.011 -21.490 26.329 1.00 31.42 H new ATOM 796 N VAL A 51 20.517 -22.380 28.450 1.00 23.20 N ATOM 797 CA VAL A 51 20.754 -21.186 29.236 1.00 2.24 C ATOM 798 C VAL A 51 21.525 -20.168 28.394 1.00 12.52 C ATOM 799 O VAL A 51 22.747 -20.235 28.245 1.00 73.23 O ATOM 800 CB VAL A 51 21.491 -21.501 30.565 1.00 35.20 C ATOM 801 CG1 VAL A 51 22.765 -22.298 30.322 1.00 24.00 C ATOM 802 CG2 VAL A 51 21.792 -20.221 31.335 1.00 4.13 C ATOM 0 H VAL A 51 21.360 -22.872 28.154 1.00 23.20 H new ATOM 0 HA VAL A 51 19.791 -20.759 29.515 1.00 2.24 H new ATOM 0 HB VAL A 51 20.827 -22.117 31.171 1.00 35.20 H new ATOM 0 HG11 VAL A 51 23.255 -22.500 31.274 1.00 24.00 H new ATOM 0 HG12 VAL A 51 22.517 -23.241 29.834 1.00 24.00 H new ATOM 0 HG13 VAL A 51 23.437 -21.724 29.683 1.00 24.00 H new ATOM 0 HG21 VAL A 51 22.309 -20.467 32.263 1.00 4.13 H new ATOM 0 HG22 VAL A 51 22.424 -19.572 30.729 1.00 4.13 H new ATOM 0 HG23 VAL A 51 20.859 -19.707 31.565 1.00 4.13 H new ATOM 812 N GLY A 52 20.772 -19.270 27.787 1.00 43.00 N ATOM 813 CA GLY A 52 21.348 -18.236 26.956 1.00 12.21 C ATOM 814 C GLY A 52 20.442 -17.030 26.870 1.00 21.54 C ATOM 815 O GLY A 52 19.306 -17.078 27.348 1.00 21.14 O ATOM 0 H GLY A 52 19.755 -19.238 27.856 1.00 43.00 H new ATOM 0 HA2 GLY A 52 22.315 -17.938 27.361 1.00 12.21 H new ATOM 0 HA3 GLY A 52 21.529 -18.629 25.956 1.00 12.21 H new ATOM 819 N PRO A 53 20.905 -15.926 26.276 1.00 41.45 N ATOM 820 CA PRO A 53 20.035 -14.801 25.965 1.00 13.20 C ATOM 821 C PRO A 53 19.194 -15.106 24.727 1.00 34.33 C ATOM 822 O PRO A 53 19.429 -14.571 23.644 1.00 53.40 O ATOM 823 CB PRO A 53 21.006 -13.648 25.713 1.00 30.31 C ATOM 824 CG PRO A 53 22.289 -14.290 25.295 1.00 70.42 C ATOM 825 CD PRO A 53 22.300 -15.690 25.860 1.00 22.42 C ATOM 0 HA PRO A 53 19.324 -14.574 26.759 1.00 13.20 H new ATOM 0 HB2 PRO A 53 20.630 -12.981 24.937 1.00 30.31 H new ATOM 0 HB3 PRO A 53 21.143 -13.047 26.612 1.00 30.31 H new ATOM 0 HG2 PRO A 53 22.369 -14.314 24.208 1.00 70.42 H new ATOM 0 HG3 PRO A 53 23.141 -13.720 25.665 1.00 70.42 H new ATOM 0 HD2 PRO A 53 22.621 -16.417 25.114 1.00 22.42 H new ATOM 0 HD3 PRO A 53 22.986 -15.773 26.703 1.00 22.42 H new ATOM 833 N LYS A 54 18.227 -16.000 24.898 1.00 53.33 N ATOM 834 CA LYS A 54 17.438 -16.503 23.786 1.00 53.43 C ATOM 835 C LYS A 54 16.358 -15.509 23.376 1.00 54.24 C ATOM 836 O LYS A 54 15.242 -15.529 23.895 1.00 72.35 O ATOM 837 CB LYS A 54 16.811 -17.860 24.139 1.00 14.34 C ATOM 838 CG LYS A 54 16.141 -17.887 25.503 1.00 2.25 C ATOM 839 CD LYS A 54 15.299 -19.137 25.698 1.00 62.01 C ATOM 840 CE LYS A 54 14.577 -19.111 27.035 1.00 22.54 C ATOM 841 NZ LYS A 54 13.670 -20.275 27.201 1.00 20.32 N1+ ATOM 0 H LYS A 54 17.971 -16.392 25.804 1.00 53.33 H new ATOM 0 HA LYS A 54 18.109 -16.637 22.937 1.00 53.43 H new ATOM 0 HB2 LYS A 54 16.076 -18.120 23.378 1.00 14.34 H new ATOM 0 HB3 LYS A 54 17.585 -18.627 24.109 1.00 14.34 H new ATOM 0 HG2 LYS A 54 16.902 -17.837 26.282 1.00 2.25 H new ATOM 0 HG3 LYS A 54 15.511 -17.004 25.615 1.00 2.25 H new ATOM 0 HD2 LYS A 54 14.571 -19.218 24.890 1.00 62.01 H new ATOM 0 HD3 LYS A 54 15.936 -20.020 25.643 1.00 62.01 H new ATOM 0 HE2 LYS A 54 15.309 -19.104 27.842 1.00 22.54 H new ATOM 0 HE3 LYS A 54 14.002 -18.189 27.119 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 12.953 -20.056 27.922 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 13.200 -20.481 26.296 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 14.221 -21.104 27.501 1.00 20.32 H new ATOM 855 N VAL A 55 16.703 -14.620 22.463 1.00 2.14 N ATOM 856 CA VAL A 55 15.736 -13.697 21.907 1.00 11.43 C ATOM 857 C VAL A 55 16.193 -13.186 20.548 1.00 43.22 C ATOM 858 O VAL A 55 17.326 -12.731 20.377 1.00 65.24 O ATOM 859 CB VAL A 55 15.460 -12.512 22.863 1.00 34.24 C ATOM 860 CG1 VAL A 55 16.733 -11.743 23.181 1.00 71.14 C ATOM 861 CG2 VAL A 55 14.406 -11.587 22.279 1.00 74.12 C ATOM 0 H VAL A 55 17.648 -14.519 22.091 1.00 2.14 H new ATOM 0 HA VAL A 55 14.803 -14.245 21.778 1.00 11.43 H new ATOM 0 HB VAL A 55 15.081 -12.923 23.798 1.00 34.24 H new ATOM 0 HG11 VAL A 55 16.501 -10.918 23.855 1.00 71.14 H new ATOM 0 HG12 VAL A 55 17.451 -12.410 23.658 1.00 71.14 H new ATOM 0 HG13 VAL A 55 17.160 -11.349 22.259 1.00 71.14 H new ATOM 0 HG21 VAL A 55 14.226 -10.760 22.966 1.00 74.12 H new ATOM 0 HG22 VAL A 55 14.755 -11.195 21.324 1.00 74.12 H new ATOM 0 HG23 VAL A 55 13.479 -12.141 22.128 1.00 74.12 H new ATOM 871 N ARG A 56 15.306 -13.295 19.578 1.00 3.44 N ATOM 872 CA ARG A 56 15.553 -12.794 18.240 1.00 30.34 C ATOM 873 C ARG A 56 14.299 -12.119 17.724 1.00 34.22 C ATOM 874 O ARG A 56 13.328 -12.789 17.382 1.00 45.24 O ATOM 875 CB ARG A 56 15.950 -13.936 17.300 1.00 31.13 C ATOM 876 CG ARG A 56 17.264 -14.610 17.657 1.00 60.22 C ATOM 877 CD ARG A 56 18.449 -13.702 17.382 1.00 12.52 C ATOM 878 NE ARG A 56 19.711 -14.309 17.796 1.00 73.32 N ATOM 879 CZ ARG A 56 20.463 -15.082 17.014 1.00 41.54 C ATOM 880 NH1 ARG A 56 20.075 -15.378 15.782 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 21.611 -15.557 17.471 1.00 53.04 N ATOM 0 H ARG A 56 14.393 -13.734 19.696 1.00 3.44 H new ATOM 0 HA ARG A 56 16.373 -12.077 18.275 1.00 30.34 H new ATOM 0 HB2 ARG A 56 15.158 -14.685 17.302 1.00 31.13 H new ATOM 0 HB3 ARG A 56 16.018 -13.548 16.284 1.00 31.13 H new ATOM 0 HG2 ARG A 56 17.256 -14.890 18.710 1.00 60.22 H new ATOM 0 HG3 ARG A 56 17.369 -15.531 17.083 1.00 60.22 H new ATOM 0 HD2 ARG A 56 18.490 -13.471 16.317 1.00 12.52 H new ATOM 0 HD3 ARG A 56 18.311 -12.757 17.908 1.00 12.52 H new ATOM 0 HE ARG A 56 20.038 -14.129 18.745 1.00 73.32 H new ATOM 0 HH11 ARG A 56 19.193 -15.013 15.424 1.00 41.24 H new ATOM 0 HH12 ARG A 56 20.659 -15.971 15.192 1.00 41.24 H new ATOM 0 HH21 ARG A 56 21.916 -15.331 18.418 1.00 53.04 H new ATOM 0 HH22 ARG A 56 22.191 -16.149 16.876 1.00 53.04 H new ATOM 895 N LYS A 57 14.306 -10.800 17.710 1.00 33.31 N ATOM 896 CA LYS A 57 13.159 -10.046 17.237 1.00 4.11 C ATOM 897 C LYS A 57 13.365 -9.631 15.786 1.00 15.33 C ATOM 898 O LYS A 57 14.472 -9.259 15.389 1.00 3.22 O ATOM 899 CB LYS A 57 12.932 -8.813 18.116 1.00 43.11 C ATOM 900 CG LYS A 57 11.697 -8.005 17.744 1.00 71.30 C ATOM 901 CD LYS A 57 11.517 -6.808 18.664 1.00 14.43 C ATOM 902 CE LYS A 57 11.302 -7.237 20.107 1.00 11.33 C ATOM 903 NZ LYS A 57 11.223 -6.076 21.031 1.00 52.31 N1+ ATOM 0 H LYS A 57 15.092 -10.228 18.020 1.00 33.31 H new ATOM 0 HA LYS A 57 12.275 -10.681 17.297 1.00 4.11 H new ATOM 0 HB2 LYS A 57 12.846 -9.131 19.155 1.00 43.11 H new ATOM 0 HB3 LYS A 57 13.808 -8.168 18.052 1.00 43.11 H new ATOM 0 HG2 LYS A 57 11.782 -7.663 16.712 1.00 71.30 H new ATOM 0 HG3 LYS A 57 10.814 -8.642 17.797 1.00 71.30 H new ATOM 0 HD2 LYS A 57 12.395 -6.166 18.602 1.00 14.43 H new ATOM 0 HD3 LYS A 57 10.665 -6.216 18.329 1.00 14.43 H new ATOM 0 HE2 LYS A 57 10.383 -7.819 20.178 1.00 11.33 H new ATOM 0 HE3 LYS A 57 12.118 -7.890 20.416 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 11.076 -6.415 22.003 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 12.109 -5.534 20.984 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 10.428 -5.465 20.754 1.00 52.31 H new ATOM 917 N CYS A 58 12.307 -9.729 14.999 1.00 72.13 N ATOM 918 CA CYS A 58 12.348 -9.305 13.611 1.00 62.31 C ATOM 919 C CYS A 58 11.769 -7.904 13.468 1.00 74.10 C ATOM 920 O CYS A 58 10.666 -7.623 13.950 1.00 14.35 O ATOM 921 CB CYS A 58 11.567 -10.282 12.731 1.00 65.03 C ATOM 922 SG CYS A 58 11.623 -9.884 10.954 1.00 34.12 S ATOM 0 H CYS A 58 11.406 -10.100 15.300 1.00 72.13 H new ATOM 0 HA CYS A 58 13.389 -9.293 13.286 1.00 62.31 H new ATOM 0 HB2 CYS A 58 11.963 -11.286 12.881 1.00 65.03 H new ATOM 0 HB3 CYS A 58 10.527 -10.297 13.057 1.00 65.03 H new ATOM 927 N LEU A 59 12.526 -7.030 12.817 1.00 20.31 N ATOM 928 CA LEU A 59 12.104 -5.657 12.574 1.00 35.20 C ATOM 929 C LEU A 59 11.766 -5.458 11.104 1.00 35.41 C ATOM 930 O LEU A 59 11.772 -6.413 10.327 1.00 75.32 O ATOM 931 CB LEU A 59 13.187 -4.656 12.990 1.00 75.13 C ATOM 932 CG LEU A 59 13.468 -4.567 14.491 1.00 73.02 C ATOM 933 CD1 LEU A 59 14.387 -3.393 14.783 1.00 24.20 C ATOM 934 CD2 LEU A 59 12.177 -4.436 15.281 1.00 11.24 C ATOM 0 H LEU A 59 13.449 -7.253 12.443 1.00 20.31 H new ATOM 0 HA LEU A 59 11.216 -5.475 13.179 1.00 35.20 H new ATOM 0 HB2 LEU A 59 14.114 -4.919 12.481 1.00 75.13 H new ATOM 0 HB3 LEU A 59 12.898 -3.667 12.634 1.00 75.13 H new ATOM 0 HG LEU A 59 13.961 -5.488 14.801 1.00 73.02 H new ATOM 0 HD11 LEU A 59 14.580 -3.340 15.854 1.00 24.20 H new ATOM 0 HD12 LEU A 59 15.329 -3.527 14.251 1.00 24.20 H new ATOM 0 HD13 LEU A 59 13.912 -2.469 14.453 1.00 24.20 H new ATOM 0 HD21 LEU A 59 12.406 -4.375 16.345 1.00 11.24 H new ATOM 0 HD22 LEU A 59 11.650 -3.533 14.971 1.00 11.24 H new ATOM 0 HD23 LEU A 59 11.547 -5.306 15.095 1.00 11.24 H new ATOM 946 N ALA A 60 11.432 -4.221 10.737 1.00 33.55 N ATOM 947 CA ALA A 60 11.152 -3.880 9.345 1.00 14.42 C ATOM 948 C ALA A 60 12.314 -4.285 8.441 1.00 34.01 C ATOM 949 O ALA A 60 12.115 -4.696 7.295 1.00 3.23 O ATOM 950 CB ALA A 60 10.869 -2.389 9.214 1.00 21.55 C ATOM 0 H ALA A 60 11.349 -3.439 11.386 1.00 33.55 H new ATOM 0 HA ALA A 60 10.268 -4.433 9.028 1.00 14.42 H new ATOM 0 HB1 ALA A 60 10.662 -2.148 8.171 1.00 21.55 H new ATOM 0 HB2 ALA A 60 10.005 -2.128 9.825 1.00 21.55 H new ATOM 0 HB3 ALA A 60 11.737 -1.823 9.552 1.00 21.55 H new ATOM 956 N ASN A 61 13.529 -4.167 8.964 1.00 62.21 N ATOM 957 CA ASN A 61 14.708 -4.623 8.246 1.00 25.33 C ATOM 958 C ASN A 61 14.886 -6.123 8.467 1.00 24.31 C ATOM 959 O ASN A 61 14.676 -6.627 9.572 1.00 33.40 O ATOM 960 CB ASN A 61 15.962 -3.848 8.684 1.00 32.31 C ATOM 961 CG ASN A 61 16.351 -4.101 10.130 1.00 74.35 C ATOM 962 OD1 ASN A 61 15.849 -3.447 11.042 1.00 1.31 O ATOM 963 ND2 ASN A 61 17.276 -5.026 10.347 1.00 4.55 N ATOM 0 H ASN A 61 13.721 -3.761 9.880 1.00 62.21 H new ATOM 0 HA ASN A 61 14.569 -4.433 7.182 1.00 25.33 H new ATOM 0 HB2 ASN A 61 16.795 -4.124 8.037 1.00 32.31 H new ATOM 0 HB3 ASN A 61 15.789 -2.781 8.543 1.00 32.31 H new ATOM 0 HD21 ASN A 61 17.595 -5.215 11.297 1.00 4.55 H new ATOM 0 HD22 ASN A 61 17.669 -5.548 9.564 1.00 4.55 H new ATOM 970 N GLY A 62 15.280 -6.832 7.418 1.00 21.23 N ATOM 971 CA GLY A 62 15.316 -8.281 7.466 1.00 43.34 C ATOM 972 C GLY A 62 16.530 -8.835 8.184 1.00 30.15 C ATOM 973 O GLY A 62 17.393 -9.457 7.566 1.00 74.22 O ATOM 0 H GLY A 62 15.577 -6.427 6.530 1.00 21.23 H new ATOM 0 HA2 GLY A 62 14.415 -8.642 7.962 1.00 43.34 H new ATOM 0 HA3 GLY A 62 15.297 -8.670 6.448 1.00 43.34 H new ATOM 977 N SER A 63 16.603 -8.607 9.484 1.00 32.44 N ATOM 978 CA SER A 63 17.647 -9.188 10.317 1.00 55.04 C ATOM 979 C SER A 63 17.169 -9.276 11.756 1.00 64.31 C ATOM 980 O SER A 63 16.513 -8.361 12.254 1.00 34.44 O ATOM 981 CB SER A 63 18.935 -8.358 10.256 1.00 2.41 C ATOM 982 OG SER A 63 19.388 -8.207 8.920 1.00 62.04 O ATOM 0 H SER A 63 15.944 -8.017 9.992 1.00 32.44 H new ATOM 0 HA SER A 63 17.864 -10.186 9.937 1.00 55.04 H new ATOM 0 HB2 SER A 63 18.759 -7.376 10.696 1.00 2.41 H new ATOM 0 HB3 SER A 63 19.709 -8.840 10.853 1.00 2.41 H new ATOM 0 HG SER A 63 20.209 -7.672 8.912 1.00 62.04 H new ATOM 988 N TRP A 64 17.488 -10.378 12.414 1.00 43.33 N ATOM 989 CA TRP A 64 17.136 -10.551 13.812 1.00 43.33 C ATOM 990 C TRP A 64 18.022 -9.646 14.664 1.00 14.23 C ATOM 991 O TRP A 64 19.242 -9.655 14.519 1.00 63.32 O ATOM 992 CB TRP A 64 17.280 -12.022 14.214 1.00 65.43 C ATOM 993 CG TRP A 64 16.507 -12.950 13.314 1.00 63.21 C ATOM 994 CD1 TRP A 64 16.986 -13.632 12.230 1.00 40.32 C ATOM 995 CD2 TRP A 64 15.115 -13.285 13.411 1.00 51.21 C ATOM 996 NE1 TRP A 64 15.981 -14.375 11.654 1.00 61.14 N ATOM 997 CE2 TRP A 64 14.823 -14.178 12.361 1.00 3.21 C ATOM 998 CE3 TRP A 64 14.089 -12.921 14.287 1.00 55.00 C ATOM 999 CZ2 TRP A 64 13.548 -14.705 12.163 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 12.825 -13.444 14.087 1.00 13.34 C ATOM 1001 CH2 TRP A 64 12.564 -14.329 13.037 1.00 30.45 C ATOM 0 H TRP A 64 17.990 -11.165 12.002 1.00 43.33 H new ATOM 0 HA TRP A 64 16.095 -10.269 13.973 1.00 43.33 H new ATOM 0 HB2 TRP A 64 18.334 -12.298 14.194 1.00 65.43 H new ATOM 0 HB3 TRP A 64 16.937 -12.149 15.241 1.00 65.43 H new ATOM 0 HD1 TRP A 64 18.006 -13.593 11.877 1.00 40.32 H new ATOM 0 HE1 TRP A 64 16.081 -14.974 10.835 1.00 61.14 H new ATOM 0 HE3 TRP A 64 14.280 -12.243 15.106 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 13.344 -15.385 11.349 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 12.024 -13.163 14.755 1.00 13.34 H new ATOM 0 HH2 TRP A 64 11.566 -14.724 12.913 1.00 30.45 H new ATOM 1012 N THR A 65 17.401 -8.873 15.548 1.00 64.24 N ATOM 1013 CA THR A 65 18.067 -7.759 16.227 1.00 62.45 C ATOM 1014 C THR A 65 19.117 -8.162 17.268 1.00 71.12 C ATOM 1015 O THR A 65 19.553 -7.321 18.055 1.00 30.41 O ATOM 1016 CB THR A 65 17.024 -6.858 16.905 1.00 0.54 C ATOM 1017 OG1 THR A 65 16.027 -7.666 17.550 1.00 14.20 O ATOM 1018 CG2 THR A 65 16.364 -5.948 15.888 1.00 4.51 C ATOM 0 H THR A 65 16.425 -8.997 15.816 1.00 64.24 H new ATOM 0 HA THR A 65 18.606 -7.234 15.438 1.00 62.45 H new ATOM 0 HB THR A 65 17.529 -6.242 17.649 1.00 0.54 H new ATOM 0 HG1 THR A 65 15.687 -7.197 18.340 1.00 14.20 H new ATOM 0 HG21 THR A 65 15.628 -5.317 16.387 1.00 4.51 H new ATOM 0 HG22 THR A 65 17.120 -5.320 15.417 1.00 4.51 H new ATOM 0 HG23 THR A 65 15.868 -6.551 15.128 1.00 4.51 H new ATOM 1026 N ASP A 66 19.540 -9.412 17.277 1.00 71.12 N ATOM 1027 CA ASP A 66 20.584 -9.845 18.199 1.00 34.33 C ATOM 1028 C ASP A 66 21.223 -11.111 17.672 1.00 13.42 C ATOM 1029 O ASP A 66 21.470 -12.052 18.427 1.00 3.12 O ATOM 1030 CB ASP A 66 20.015 -10.116 19.600 1.00 63.41 C ATOM 1031 CG ASP A 66 21.011 -9.797 20.704 1.00 40.15 C ATOM 1032 OD1 ASP A 66 20.874 -8.729 21.341 1.00 25.14 O ATOM 1033 OD2 ASP A 66 21.940 -10.596 20.936 1.00 24.04 O1- ATOM 0 H ASP A 66 19.183 -10.144 16.663 1.00 71.12 H new ATOM 0 HA ASP A 66 21.323 -9.047 18.275 1.00 34.33 H new ATOM 0 HB2 ASP A 66 19.114 -9.520 19.744 1.00 63.41 H new ATOM 0 HB3 ASP A 66 19.720 -11.163 19.673 1.00 63.41 H new ATOM 1038 N MET A 67 21.489 -11.156 16.374 1.00 22.12 N ATOM 1039 CA MET A 67 21.929 -12.402 15.779 1.00 54.13 C ATOM 1040 C MET A 67 23.434 -12.601 15.952 1.00 53.22 C ATOM 1041 O MET A 67 24.238 -12.353 15.045 1.00 32.02 O ATOM 1042 CB MET A 67 21.521 -12.428 14.298 1.00 11.22 C ATOM 1043 CG MET A 67 21.961 -13.668 13.536 1.00 72.34 C ATOM 1044 SD MET A 67 21.145 -13.823 11.934 1.00 2.02 S ATOM 1045 CE MET A 67 21.883 -15.338 11.326 1.00 10.45 C ATOM 0 H MET A 67 21.410 -10.367 15.732 1.00 22.12 H new ATOM 0 HA MET A 67 21.444 -13.233 16.292 1.00 54.13 H new ATOM 0 HB2 MET A 67 20.436 -12.345 14.233 1.00 11.22 H new ATOM 0 HB3 MET A 67 21.938 -11.549 13.806 1.00 11.22 H new ATOM 0 HG2 MET A 67 23.040 -13.635 13.388 1.00 72.34 H new ATOM 0 HG3 MET A 67 21.748 -14.553 14.135 1.00 72.34 H new ATOM 0 HE1 MET A 67 21.479 -15.570 10.340 1.00 10.45 H new ATOM 0 HE2 MET A 67 22.964 -15.213 11.255 1.00 10.45 H new ATOM 0 HE3 MET A 67 21.656 -16.154 12.012 1.00 10.45 H new ATOM 1055 N ASP A 68 23.788 -12.998 17.169 1.00 24.31 N ATOM 1056 CA ASP A 68 25.043 -13.659 17.493 1.00 2.01 C ATOM 1057 C ASP A 68 24.939 -14.152 18.928 1.00 63.14 C ATOM 1058 O ASP A 68 25.282 -13.423 19.857 1.00 55.15 O ATOM 1059 CB ASP A 68 26.255 -12.740 17.323 1.00 13.54 C ATOM 1060 CG ASP A 68 27.558 -13.498 17.466 1.00 11.43 C ATOM 1061 OD1 ASP A 68 28.350 -13.167 18.373 1.00 34.44 O ATOM 1062 OD2 ASP A 68 27.786 -14.447 16.681 1.00 51.53 O1- ATOM 0 H ASP A 68 23.188 -12.863 17.983 1.00 24.31 H new ATOM 0 HA ASP A 68 25.201 -14.487 16.802 1.00 2.01 H new ATOM 0 HB2 ASP A 68 26.216 -12.265 16.343 1.00 13.54 H new ATOM 0 HB3 ASP A 68 26.214 -11.943 18.066 1.00 13.54 H new ATOM 1067 N THR A 69 24.442 -15.357 19.132 1.00 35.52 N ATOM 1068 CA THR A 69 24.066 -15.767 20.476 1.00 74.33 C ATOM 1069 C THR A 69 24.699 -17.093 20.880 1.00 61.54 C ATOM 1070 O THR A 69 24.385 -18.144 20.317 1.00 13.04 O ATOM 1071 CB THR A 69 22.530 -15.866 20.598 1.00 11.41 C ATOM 1072 OG1 THR A 69 21.928 -14.711 20.001 1.00 32.14 O ATOM 1073 CG2 THR A 69 22.096 -15.944 22.050 1.00 22.51 C ATOM 0 H THR A 69 24.291 -16.056 18.405 1.00 35.52 H new ATOM 0 HA THR A 69 24.442 -15.002 21.156 1.00 74.33 H new ATOM 0 HB THR A 69 22.210 -16.774 20.087 1.00 11.41 H new ATOM 0 HG1 THR A 69 21.083 -14.511 20.455 1.00 32.14 H new ATOM 0 HG21 THR A 69 21.009 -16.013 22.102 1.00 22.51 H new ATOM 0 HG22 THR A 69 22.538 -16.825 22.515 1.00 22.51 H new ATOM 0 HG23 THR A 69 22.428 -15.050 22.578 1.00 22.51 H new ATOM 1081 N PRO A 70 25.619 -17.052 21.857 1.00 34.41 N ATOM 1082 CA PRO A 70 26.189 -18.252 22.460 1.00 42.43 C ATOM 1083 C PRO A 70 25.181 -18.923 23.390 1.00 23.34 C ATOM 1084 O PRO A 70 24.782 -18.353 24.407 1.00 64.14 O ATOM 1085 CB PRO A 70 27.399 -17.734 23.260 1.00 61.51 C ATOM 1086 CG PRO A 70 27.543 -16.291 22.894 1.00 11.35 C ATOM 1087 CD PRO A 70 26.186 -15.835 22.448 1.00 41.03 C ATOM 0 HA PRO A 70 26.465 -19.000 21.717 1.00 42.43 H new ATOM 0 HB2 PRO A 70 27.238 -17.851 24.332 1.00 61.51 H new ATOM 0 HB3 PRO A 70 28.301 -18.293 23.010 1.00 61.51 H new ATOM 0 HG2 PRO A 70 27.890 -15.706 23.746 1.00 11.35 H new ATOM 0 HG3 PRO A 70 28.278 -16.162 22.099 1.00 11.35 H new ATOM 0 HD2 PRO A 70 25.586 -15.472 23.282 1.00 41.03 H new ATOM 0 HD3 PRO A 70 26.249 -15.023 21.723 1.00 41.03 H new ATOM 1095 N SER A 71 24.758 -20.121 23.031 1.00 21.45 N ATOM 1096 CA SER A 71 23.730 -20.818 23.784 1.00 53.41 C ATOM 1097 C SER A 71 24.105 -22.280 23.988 1.00 14.12 C ATOM 1098 O SER A 71 24.750 -22.891 23.135 1.00 73.30 O ATOM 1099 CB SER A 71 22.390 -20.692 23.055 1.00 41.55 C ATOM 1100 OG SER A 71 22.551 -20.894 21.661 1.00 70.34 O ATOM 0 H SER A 71 25.110 -20.633 22.222 1.00 21.45 H new ATOM 0 HA SER A 71 23.640 -20.362 24.770 1.00 53.41 H new ATOM 0 HB2 SER A 71 21.685 -21.422 23.453 1.00 41.55 H new ATOM 0 HB3 SER A 71 21.964 -19.705 23.237 1.00 41.55 H new ATOM 0 HG SER A 71 21.682 -20.811 21.216 1.00 70.34 H new ATOM 1106 N ARG A 72 23.723 -22.828 25.133 1.00 45.03 N ATOM 1107 CA ARG A 72 24.036 -24.210 25.466 1.00 4.44 C ATOM 1108 C ARG A 72 22.853 -24.860 26.169 1.00 75.30 C ATOM 1109 O ARG A 72 22.222 -24.242 27.030 1.00 23.40 O ATOM 1110 CB ARG A 72 25.285 -24.274 26.359 1.00 34.44 C ATOM 1111 CG ARG A 72 25.127 -23.549 27.689 1.00 12.31 C ATOM 1112 CD ARG A 72 26.419 -23.538 28.489 1.00 24.33 C ATOM 1113 NE ARG A 72 27.452 -22.727 27.848 1.00 52.22 N ATOM 1114 CZ ARG A 72 28.555 -22.299 28.461 1.00 64.42 C ATOM 1115 NH1 ARG A 72 28.747 -22.544 29.753 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 29.449 -21.595 27.783 1.00 31.31 N ATOM 0 H ARG A 72 23.193 -22.333 25.850 1.00 45.03 H new ATOM 0 HA ARG A 72 24.239 -24.754 24.544 1.00 4.44 H new ATOM 0 HB2 ARG A 72 25.529 -25.319 26.552 1.00 34.44 H new ATOM 0 HB3 ARG A 72 26.129 -23.844 25.819 1.00 34.44 H new ATOM 0 HG2 ARG A 72 24.805 -22.524 27.507 1.00 12.31 H new ATOM 0 HG3 ARG A 72 24.343 -24.031 28.273 1.00 12.31 H new ATOM 0 HD2 ARG A 72 26.223 -23.151 29.489 1.00 24.33 H new ATOM 0 HD3 ARG A 72 26.781 -24.559 28.607 1.00 24.33 H new ATOM 0 HE ARG A 72 27.320 -22.472 26.869 1.00 52.22 H new ATOM 0 HH11 ARG A 72 28.047 -23.063 30.283 1.00 45.44 H new ATOM 0 HH12 ARG A 72 29.594 -22.213 30.214 1.00 45.44 H new ATOM 0 HH21 ARG A 72 29.291 -21.384 26.798 1.00 31.31 H new ATOM 0 HH22 ARG A 72 30.295 -21.264 28.246 1.00 31.31 H new ATOM 1130 N CYS A 73 22.531 -26.086 25.791 1.00 4.41 N ATOM 1131 CA CYS A 73 21.463 -26.814 26.450 1.00 74.22 C ATOM 1132 C CYS A 73 22.014 -27.753 27.510 1.00 15.32 C ATOM 1133 O CYS A 73 22.509 -28.840 27.211 1.00 21.44 O ATOM 1134 CB CYS A 73 20.591 -27.570 25.443 1.00 72.10 C ATOM 1135 SG CYS A 73 21.480 -28.220 23.988 1.00 53.24 S ATOM 0 H CYS A 73 22.991 -26.594 25.036 1.00 4.41 H new ATOM 0 HA CYS A 73 20.827 -26.082 26.947 1.00 74.22 H new ATOM 0 HB2 CYS A 73 20.108 -28.401 25.956 1.00 72.10 H new ATOM 0 HB3 CYS A 73 19.799 -26.904 25.099 1.00 72.10 H new ATOM 1140 N VAL A 74 21.941 -27.301 28.750 1.00 70.53 N ATOM 1141 CA VAL A 74 22.380 -28.073 29.895 1.00 64.52 C ATOM 1142 C VAL A 74 21.294 -28.030 30.963 1.00 43.42 C ATOM 1143 O VAL A 74 20.732 -26.969 31.241 1.00 34.31 O ATOM 1144 CB VAL A 74 23.726 -27.542 30.455 1.00 54.13 C ATOM 1145 CG1 VAL A 74 23.624 -26.072 30.843 1.00 11.41 C ATOM 1146 CG2 VAL A 74 24.193 -28.378 31.638 1.00 43.31 C ATOM 0 H VAL A 74 21.572 -26.381 28.990 1.00 70.53 H new ATOM 0 HA VAL A 74 22.549 -29.104 29.585 1.00 64.52 H new ATOM 0 HB VAL A 74 24.468 -27.629 29.661 1.00 54.13 H new ATOM 0 HG11 VAL A 74 24.584 -25.731 31.232 1.00 11.41 H new ATOM 0 HG12 VAL A 74 23.357 -25.482 29.966 1.00 11.41 H new ATOM 0 HG13 VAL A 74 22.858 -25.950 31.609 1.00 11.41 H new ATOM 0 HG21 VAL A 74 25.138 -27.984 32.011 1.00 43.31 H new ATOM 0 HG22 VAL A 74 23.445 -28.337 32.430 1.00 43.31 H new ATOM 0 HG23 VAL A 74 24.330 -29.412 31.321 1.00 43.31 H new ATOM 1156 N ARG A 75 20.974 -29.174 31.540 1.00 64.45 N ATOM 1157 CA ARG A 75 19.840 -29.260 32.443 1.00 54.13 C ATOM 1158 C ARG A 75 20.242 -29.904 33.761 1.00 45.21 C ATOM 1159 O ARG A 75 20.154 -29.225 34.804 1.00 37.22 O ATOM 1160 CB ARG A 75 18.715 -30.051 31.783 1.00 55.34 C ATOM 1161 CG ARG A 75 17.354 -29.790 32.395 1.00 43.51 C ATOM 1162 CD ARG A 75 16.265 -30.514 31.627 1.00 51.22 C ATOM 1163 NE ARG A 75 14.926 -30.080 32.024 1.00 74.41 N ATOM 1164 CZ ARG A 75 13.811 -30.755 31.739 1.00 23.14 C ATOM 1165 NH1 ARG A 75 13.880 -31.894 31.060 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 12.630 -30.289 32.127 1.00 4.05 N ATOM 1167 OXT ARG A 75 20.671 -31.078 33.747 1.00 37.22 O ATOM 0 H ARG A 75 21.478 -30.050 31.402 1.00 64.45 H new ATOM 0 HA ARG A 75 19.488 -28.251 32.658 1.00 54.13 H new ATOM 0 HB2 ARG A 75 18.681 -29.803 30.722 1.00 55.34 H new ATOM 0 HB3 ARG A 75 18.939 -31.115 31.855 1.00 55.34 H new ATOM 0 HG2 ARG A 75 17.350 -30.117 33.435 1.00 43.51 H new ATOM 0 HG3 ARG A 75 17.152 -28.719 32.397 1.00 43.51 H new ATOM 0 HD2 ARG A 75 16.399 -30.341 30.559 1.00 51.22 H new ATOM 0 HD3 ARG A 75 16.360 -31.588 31.790 1.00 51.22 H new ATOM 0 HE ARG A 75 14.839 -29.210 32.550 1.00 74.41 H new ATOM 0 HH11 ARG A 75 14.785 -32.253 30.756 1.00 33.54 H new ATOM 0 HH12 ARG A 75 13.028 -32.410 30.842 1.00 33.54 H new ATOM 0 HH21 ARG A 75 12.573 -29.412 32.645 1.00 4.05 H new ATOM 0 HH22 ARG A 75 11.780 -30.808 31.907 1.00 4.05 H new TER 1181 ARG A 75