USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 478 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 18 GLN : amide:sc= -0.313 K(o=-0.7,f=-1.4) USER MOD Set 1.2: A 21 MET CE :methyl 172:sc= -0.386 (180deg=-0.581) USER MOD Single : A 16 GLN : amide:sc= -3.63! C(o=-3.6!,f=-6.2!) USER MOD Single : A 22 GLN : amide:sc= -3.96! C(o=-4!,f=-7.8!) USER MOD Single : A 23 THR OG1 : rot 170:sc= -3.41! USER MOD Single : A 25 MET CE :methyl -154:sc= -8.81! (180deg=-12.4!) USER MOD Single : A 27 SER OG : rot -19:sc= 0.456 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -7.54! C(o=-7.5!,f=-9.7!) USER MOD Single : A 37 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.067) USER MOD Single : A 43 SER OG : rot 35:sc= 0.446 USER MOD Single : A 45 ASN : amide:sc=-0.00922 X(o=-0.0092,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -161:sc= -2.32 USER MOD Single : A 51 TYR OH : rot 33:sc= -0.283 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -2.35! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 30:sc= -1.08 USER MOD Single : A 59 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.72) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -124:sc= -0.74 (180deg=-1.42) USER MOD Single : A 81 TYR OH : rot -6:sc= -4.7! USER MOD Single : A 83 SER OG : rot -22:sc= -0.643 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.18 USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 16 1.949 -3.430 -5.399 1.00 0.00 N ATOM 31 CA GLN A 16 3.220 -4.132 -5.362 1.00 0.00 C ATOM 32 C GLN A 16 3.902 -4.070 -6.730 1.00 0.00 C ATOM 33 O GLN A 16 5.128 -4.016 -6.815 1.00 0.00 O ATOM 34 CB GLN A 16 3.033 -5.581 -4.908 1.00 0.00 C ATOM 35 CG GLN A 16 2.750 -6.497 -6.101 1.00 0.00 C ATOM 36 CD GLN A 16 4.046 -6.875 -6.821 1.00 0.00 C ATOM 37 OE1 GLN A 16 5.143 -6.571 -6.381 1.00 0.00 O ATOM 38 NE2 GLN A 16 3.860 -7.552 -7.951 1.00 0.00 N ATOM 0 HA GLN A 16 3.864 -3.638 -4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.928 -5.921 -4.388 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.209 -5.640 -4.196 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.243 -7.399 -5.759 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.076 -5.997 -6.796 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.915 -7.774 -8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.663 -7.849 -8.506 1.00 0.00 H new ATOM 47 N GLU A 17 3.077 -4.079 -7.767 1.00 0.00 N ATOM 48 CA GLU A 17 3.585 -4.024 -9.127 1.00 0.00 C ATOM 49 C GLU A 17 4.321 -2.704 -9.366 1.00 0.00 C ATOM 50 O GLU A 17 5.287 -2.656 -10.126 1.00 0.00 O ATOM 51 CB GLU A 17 2.456 -4.214 -10.142 1.00 0.00 C ATOM 52 CG GLU A 17 1.411 -3.104 -10.015 1.00 0.00 C ATOM 53 CD GLU A 17 0.338 -3.234 -11.098 1.00 0.00 C ATOM 54 OE1 GLU A 17 0.493 -4.037 -12.030 1.00 0.00 O ATOM 55 OE2 GLU A 17 -0.686 -2.465 -10.945 1.00 0.00 O ATOM 0 H GLU A 17 2.061 -4.124 -7.693 1.00 0.00 H new ATOM 0 HA GLU A 17 4.293 -4.842 -9.263 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.867 -4.218 -11.152 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.982 -5.183 -9.987 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.946 -3.149 -9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.897 -2.132 -10.094 1.00 0.00 H new ATOM 63 N GLN A 18 3.835 -1.664 -8.703 1.00 0.00 N ATOM 64 CA GLN A 18 4.434 -0.347 -8.834 1.00 0.00 C ATOM 65 C GLN A 18 5.921 -0.402 -8.475 1.00 0.00 C ATOM 66 O GLN A 18 6.739 0.271 -9.101 1.00 0.00 O ATOM 67 CB GLN A 18 3.699 0.678 -7.968 1.00 0.00 C ATOM 68 CG GLN A 18 2.296 0.951 -8.514 1.00 0.00 C ATOM 69 CD GLN A 18 2.352 1.881 -9.728 1.00 0.00 C ATOM 70 OE1 GLN A 18 2.197 1.469 -10.866 1.00 0.00 O ATOM 71 NE2 GLN A 18 2.582 3.155 -9.423 1.00 0.00 N ATOM 0 H GLN A 18 3.033 -1.707 -8.074 1.00 0.00 H new ATOM 0 HA GLN A 18 4.342 -0.029 -9.873 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.630 0.311 -6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.268 1.607 -7.936 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.821 0.010 -8.793 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.680 1.400 -7.735 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.702 3.432 -8.449 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.638 3.855 -10.163 1.00 0.00 H new ATOM 80 N TRP A 19 6.225 -1.210 -7.470 1.00 0.00 N ATOM 81 CA TRP A 19 7.598 -1.362 -7.021 1.00 0.00 C ATOM 82 C TRP A 19 8.384 -2.063 -8.131 1.00 0.00 C ATOM 83 O TRP A 19 9.477 -1.629 -8.492 1.00 0.00 O ATOM 84 CB TRP A 19 7.659 -2.104 -5.685 1.00 0.00 C ATOM 85 CG TRP A 19 9.055 -2.143 -5.058 1.00 0.00 C ATOM 86 CD1 TRP A 19 9.841 -1.109 -4.730 1.00 0.00 C ATOM 87 CD2 TRP A 19 9.801 -3.324 -4.695 1.00 0.00 C ATOM 88 NE1 TRP A 19 11.035 -1.535 -4.184 1.00 0.00 N ATOM 89 CE2 TRP A 19 11.010 -2.924 -4.162 1.00 0.00 C ATOM 90 CE3 TRP A 19 9.466 -4.684 -4.813 1.00 0.00 C ATOM 91 CZ2 TRP A 19 11.981 -3.823 -3.705 1.00 0.00 C ATOM 92 CZ3 TRP A 19 10.447 -5.570 -4.351 1.00 0.00 C ATOM 93 CH2 TRP A 19 11.669 -5.184 -3.812 1.00 0.00 C ATOM 0 H TRP A 19 5.543 -1.766 -6.954 1.00 0.00 H new ATOM 0 HA TRP A 19 8.052 -0.389 -6.834 1.00 0.00 H new ATOM 0 HB2 TRP A 19 6.971 -1.629 -4.986 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.309 -3.126 -5.832 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.574 -0.073 -4.875 1.00 0.00 H new ATOM 0 HE1 TRP A 19 11.796 -0.940 -3.857 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.527 -5.019 -5.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 12.920 -3.485 -3.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 10.240 -6.628 -4.418 1.00 0.00 H new ATOM 0 HH2 TRP A 19 12.374 -5.930 -3.477 1.00 0.00 H new ATOM 104 N ALA A 20 7.796 -3.135 -8.642 1.00 0.00 N ATOM 105 CA ALA A 20 8.427 -3.900 -9.704 1.00 0.00 C ATOM 106 C ALA A 20 8.600 -3.009 -10.936 1.00 0.00 C ATOM 107 O ALA A 20 9.546 -3.181 -11.703 1.00 0.00 O ATOM 108 CB ALA A 20 7.593 -5.148 -9.999 1.00 0.00 C ATOM 0 H ALA A 20 6.889 -3.492 -8.340 1.00 0.00 H new ATOM 0 HA ALA A 20 9.418 -4.235 -9.398 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.066 -5.722 -10.796 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.526 -5.761 -9.101 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.592 -4.851 -10.311 1.00 0.00 H new ATOM 114 N MET A 21 7.671 -2.076 -11.086 1.00 0.00 N ATOM 115 CA MET A 21 7.709 -1.158 -12.212 1.00 0.00 C ATOM 116 C MET A 21 8.870 -0.170 -12.075 1.00 0.00 C ATOM 117 O MET A 21 9.205 0.535 -13.026 1.00 0.00 O ATOM 118 CB MET A 21 6.389 -0.387 -12.287 1.00 0.00 C ATOM 119 CG MET A 21 5.280 -1.256 -12.883 1.00 0.00 C ATOM 120 SD MET A 21 3.705 -0.433 -12.719 1.00 0.00 S ATOM 121 CE MET A 21 3.968 0.960 -13.804 1.00 0.00 C ATOM 0 H MET A 21 6.888 -1.936 -10.447 1.00 0.00 H new ATOM 0 HA MET A 21 7.855 -1.737 -13.124 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.100 -0.056 -11.290 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.521 0.508 -12.895 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.488 -1.455 -13.934 1.00 0.00 H new ATOM 0 HG3 MET A 21 5.250 -2.220 -12.376 1.00 0.00 H new ATOM 0 HE1 MET A 21 3.032 1.504 -13.931 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.717 1.623 -13.370 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.316 0.605 -14.774 1.00 0.00 H new ATOM 131 N GLN A 22 9.451 -0.151 -10.885 1.00 0.00 N ATOM 132 CA GLN A 22 10.567 0.739 -10.612 1.00 0.00 C ATOM 133 C GLN A 22 11.645 0.584 -11.687 1.00 0.00 C ATOM 134 O GLN A 22 11.798 1.451 -12.546 1.00 0.00 O ATOM 135 CB GLN A 22 11.143 0.484 -9.217 1.00 0.00 C ATOM 136 CG GLN A 22 12.243 1.494 -8.885 1.00 0.00 C ATOM 137 CD GLN A 22 13.595 1.033 -9.435 1.00 0.00 C ATOM 138 OE1 GLN A 22 13.955 1.298 -10.570 1.00 0.00 O ATOM 139 NE2 GLN A 22 14.320 0.332 -8.569 1.00 0.00 N ATOM 0 H GLN A 22 9.170 -0.737 -10.099 1.00 0.00 H new ATOM 0 HA GLN A 22 10.202 1.766 -10.637 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.348 0.549 -8.474 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.546 -0.528 -9.165 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.988 2.467 -9.306 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.310 1.622 -7.805 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.958 0.146 -7.634 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.238 -0.020 -8.840 1.00 0.00 H new ATOM 148 N THR A 23 12.363 -0.526 -11.604 1.00 0.00 N ATOM 149 CA THR A 23 13.422 -0.805 -12.559 1.00 0.00 C ATOM 150 C THR A 23 12.862 -0.829 -13.983 1.00 0.00 C ATOM 151 O THR A 23 13.332 -0.094 -14.851 1.00 0.00 O ATOM 152 CB THR A 23 14.095 -2.116 -12.149 1.00 0.00 C ATOM 153 OG1 THR A 23 14.956 -2.421 -13.242 1.00 0.00 O ATOM 154 CG2 THR A 23 13.115 -3.290 -12.108 1.00 0.00 C ATOM 0 H THR A 23 12.232 -1.243 -10.890 1.00 0.00 H new ATOM 0 HA THR A 23 14.178 -0.019 -12.553 1.00 0.00 H new ATOM 0 HB THR A 23 14.557 -1.995 -11.169 1.00 0.00 H new ATOM 0 HG1 THR A 23 15.548 -3.162 -12.995 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.644 -4.196 -11.812 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.325 -3.079 -11.388 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.677 -3.433 -13.096 1.00 0.00 H new ATOM 162 N LEU A 24 11.867 -1.682 -14.180 1.00 0.00 N ATOM 163 CA LEU A 24 11.239 -1.811 -15.483 1.00 0.00 C ATOM 164 C LEU A 24 11.153 -0.433 -16.142 1.00 0.00 C ATOM 165 O LEU A 24 11.736 -0.211 -17.202 1.00 0.00 O ATOM 166 CB LEU A 24 9.888 -2.518 -15.359 1.00 0.00 C ATOM 167 CG LEU A 24 8.911 -2.307 -16.518 1.00 0.00 C ATOM 168 CD1 LEU A 24 8.066 -3.560 -16.758 1.00 0.00 C ATOM 169 CD2 LEU A 24 8.045 -1.067 -16.286 1.00 0.00 C ATOM 0 H LEU A 24 11.481 -2.290 -13.458 1.00 0.00 H new ATOM 0 HA LEU A 24 11.844 -2.440 -16.136 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.069 -3.588 -15.252 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.408 -2.183 -14.440 1.00 0.00 H new ATOM 0 HG LEU A 24 9.490 -2.131 -17.425 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.380 -3.383 -17.587 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.719 -4.398 -17.000 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.496 -3.792 -15.858 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.360 -0.940 -17.124 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.474 -1.189 -15.366 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.684 -0.188 -16.203 1.00 0.00 H new ATOM 181 N MET A 25 10.422 0.456 -15.488 1.00 0.00 N ATOM 182 CA MET A 25 10.252 1.807 -15.997 1.00 0.00 C ATOM 183 C MET A 25 11.537 2.620 -15.831 1.00 0.00 C ATOM 184 O MET A 25 11.758 3.592 -16.553 1.00 0.00 O ATOM 185 CB MET A 25 9.111 2.496 -15.246 1.00 0.00 C ATOM 186 CG MET A 25 9.651 3.541 -14.267 1.00 0.00 C ATOM 187 SD MET A 25 8.306 4.264 -13.343 1.00 0.00 S ATOM 188 CE MET A 25 7.166 4.609 -14.673 1.00 0.00 C ATOM 0 H MET A 25 9.940 0.268 -14.609 1.00 0.00 H new ATOM 0 HA MET A 25 10.016 1.748 -17.059 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.438 2.973 -15.958 1.00 0.00 H new ATOM 0 HB3 MET A 25 8.526 1.753 -14.704 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.364 3.078 -13.585 1.00 0.00 H new ATOM 0 HG3 MET A 25 10.188 4.318 -14.811 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.515 5.436 -14.389 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.724 4.878 -15.570 1.00 0.00 H new ATOM 0 HE3 MET A 25 6.562 3.724 -14.873 1.00 0.00 H new ATOM 198 N GLY A 26 12.351 2.194 -14.877 1.00 0.00 N ATOM 199 CA GLY A 26 13.609 2.870 -14.608 1.00 0.00 C ATOM 200 C GLY A 26 14.622 2.609 -15.724 1.00 0.00 C ATOM 201 O GLY A 26 15.680 3.234 -15.765 1.00 0.00 O ATOM 0 H GLY A 26 12.164 1.388 -14.280 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.436 3.942 -14.512 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.014 2.526 -13.656 1.00 0.00 H new ATOM 205 N SER A 27 14.262 1.683 -16.601 1.00 0.00 N ATOM 206 CA SER A 27 15.127 1.331 -17.714 1.00 0.00 C ATOM 207 C SER A 27 15.319 2.541 -18.631 1.00 0.00 C ATOM 208 O SER A 27 16.166 2.521 -19.523 1.00 0.00 O ATOM 209 CB SER A 27 14.556 0.152 -18.504 1.00 0.00 C ATOM 210 OG SER A 27 15.311 -0.117 -19.682 1.00 0.00 O ATOM 0 H SER A 27 13.383 1.166 -16.563 1.00 0.00 H new ATOM 0 HA SER A 27 16.095 1.030 -17.313 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.543 -0.736 -17.872 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.522 0.365 -18.777 1.00 0.00 H new ATOM 0 HG SER A 27 15.849 0.669 -19.913 1.00 0.00 H new ATOM 216 N GLY A 28 14.518 3.566 -18.380 1.00 0.00 N ATOM 217 CA GLY A 28 14.589 4.783 -19.172 1.00 0.00 C ATOM 218 C GLY A 28 13.515 4.790 -20.263 1.00 0.00 C ATOM 219 O GLY A 28 13.472 5.700 -21.089 1.00 0.00 O ATOM 0 H GLY A 28 13.817 3.579 -17.640 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.461 5.651 -18.525 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.576 4.868 -19.627 1.00 0.00 H new ATOM 223 N VAL A 29 12.676 3.766 -20.229 1.00 0.00 N ATOM 224 CA VAL A 29 11.606 3.643 -21.204 1.00 0.00 C ATOM 225 C VAL A 29 10.512 4.663 -20.886 1.00 0.00 C ATOM 226 O VAL A 29 10.027 5.358 -21.778 1.00 0.00 O ATOM 227 CB VAL A 29 11.089 2.203 -21.236 1.00 0.00 C ATOM 228 CG1 VAL A 29 10.031 2.024 -22.327 1.00 0.00 C ATOM 229 CG2 VAL A 29 12.240 1.211 -21.419 1.00 0.00 C ATOM 0 H VAL A 29 12.715 3.014 -19.542 1.00 0.00 H new ATOM 0 HA VAL A 29 11.976 3.864 -22.205 1.00 0.00 H new ATOM 0 HB VAL A 29 10.617 1.995 -20.276 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.680 0.992 -22.328 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.192 2.692 -22.133 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.466 2.260 -23.298 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.845 0.195 -21.438 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.754 1.419 -22.358 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.942 1.312 -20.591 1.00 0.00 H new ATOM 239 N LEU A 30 10.154 4.722 -19.611 1.00 0.00 N ATOM 240 CA LEU A 30 9.126 5.646 -19.164 1.00 0.00 C ATOM 241 C LEU A 30 9.788 6.892 -18.573 1.00 0.00 C ATOM 242 O LEU A 30 11.013 6.972 -18.498 1.00 0.00 O ATOM 243 CB LEU A 30 8.160 4.949 -18.204 1.00 0.00 C ATOM 244 CG LEU A 30 7.420 3.731 -18.762 1.00 0.00 C ATOM 245 CD1 LEU A 30 6.593 3.045 -17.674 1.00 0.00 C ATOM 246 CD2 LEU A 30 6.568 4.116 -19.973 1.00 0.00 C ATOM 0 H LEU A 30 10.558 4.145 -18.874 1.00 0.00 H new ATOM 0 HA LEU A 30 8.519 5.977 -20.007 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.718 4.637 -17.322 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.420 5.678 -17.872 1.00 0.00 H new ATOM 0 HG LEU A 30 8.161 3.009 -19.105 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.078 2.183 -18.098 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.251 2.715 -16.870 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.860 3.747 -17.277 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.053 3.233 -20.351 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.834 4.866 -19.678 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.209 4.524 -20.754 1.00 0.00 H new ATOM 258 N ALA A 31 8.948 7.833 -18.168 1.00 0.00 N ATOM 259 CA ALA A 31 9.437 9.072 -17.586 1.00 0.00 C ATOM 260 C ALA A 31 8.775 9.286 -16.224 1.00 0.00 C ATOM 261 O ALA A 31 7.563 9.126 -16.086 1.00 0.00 O ATOM 262 CB ALA A 31 9.173 10.229 -18.552 1.00 0.00 C ATOM 0 H ALA A 31 7.932 7.763 -18.231 1.00 0.00 H new ATOM 0 HA ALA A 31 10.514 9.022 -17.425 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.540 11.158 -18.116 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.689 10.042 -19.494 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.102 10.312 -18.736 1.00 0.00 H new ATOM 268 N ARG A 32 9.599 9.646 -15.251 1.00 0.00 N ATOM 269 CA ARG A 32 9.109 9.884 -13.904 1.00 0.00 C ATOM 270 C ARG A 32 9.441 11.311 -13.462 1.00 0.00 C ATOM 271 O ARG A 32 10.539 11.803 -13.717 1.00 0.00 O ATOM 272 CB ARG A 32 9.722 8.894 -12.911 1.00 0.00 C ATOM 273 CG ARG A 32 9.805 9.503 -11.510 1.00 0.00 C ATOM 274 CD ARG A 32 11.150 10.199 -11.294 1.00 0.00 C ATOM 275 NE ARG A 32 12.091 9.282 -10.612 1.00 0.00 N ATOM 276 CZ ARG A 32 13.370 9.580 -10.344 1.00 0.00 C ATOM 277 NH1 ARG A 32 13.868 10.772 -10.699 1.00 0.00 N ATOM 278 NH2 ARG A 32 14.150 8.685 -9.722 1.00 0.00 N ATOM 0 H ARG A 32 10.603 9.779 -15.369 1.00 0.00 H new ATOM 0 HA ARG A 32 8.028 9.746 -13.916 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.122 7.985 -12.881 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.719 8.607 -13.246 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.995 10.219 -11.372 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.671 8.722 -10.761 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.565 10.512 -12.252 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.011 11.100 -10.697 1.00 0.00 H new ATOM 0 HE ARG A 32 11.744 8.366 -10.328 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.274 11.452 -11.173 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.841 10.999 -10.495 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.770 7.777 -9.453 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.123 8.911 -9.518 1.00 0.00 H new ATOM 292 N CYS A 33 8.473 11.934 -12.808 1.00 0.00 N ATOM 293 CA CYS A 33 8.649 13.295 -12.329 1.00 0.00 C ATOM 294 C CYS A 33 9.435 13.244 -11.017 1.00 0.00 C ATOM 295 O CYS A 33 9.186 12.385 -10.173 1.00 0.00 O ATOM 296 CB CYS A 33 7.308 14.014 -12.163 1.00 0.00 C ATOM 297 SG CYS A 33 7.517 15.806 -12.471 1.00 0.00 S ATOM 0 H CYS A 33 7.564 11.522 -12.598 1.00 0.00 H new ATOM 0 HA CYS A 33 9.208 13.873 -13.065 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.576 13.600 -12.856 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.921 13.852 -11.157 1.00 0.00 H new ATOM 0 HG CYS A 33 6.373 16.407 -12.330 1.00 0.00 H new ATOM 302 N ARG A 34 10.369 14.175 -10.888 1.00 0.00 N ATOM 303 CA ARG A 34 11.194 14.247 -9.694 1.00 0.00 C ATOM 304 C ARG A 34 10.340 14.622 -8.481 1.00 0.00 C ATOM 305 O ARG A 34 10.807 14.554 -7.345 1.00 0.00 O ATOM 306 CB ARG A 34 12.314 15.276 -9.859 1.00 0.00 C ATOM 307 CG ARG A 34 11.755 16.701 -9.848 1.00 0.00 C ATOM 308 CD ARG A 34 12.738 17.681 -10.491 1.00 0.00 C ATOM 309 NE ARG A 34 12.881 17.381 -11.934 1.00 0.00 N ATOM 310 CZ ARG A 34 13.788 17.956 -12.734 1.00 0.00 C ATOM 311 NH1 ARG A 34 14.638 18.866 -12.239 1.00 0.00 N ATOM 312 NH2 ARG A 34 13.845 17.622 -14.031 1.00 0.00 N ATOM 0 H ARG A 34 10.573 14.886 -11.591 1.00 0.00 H new ATOM 0 HA ARG A 34 11.640 13.264 -9.539 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.041 15.160 -9.055 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.843 15.096 -10.795 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.806 16.727 -10.384 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.550 17.007 -8.822 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.385 18.704 -10.357 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.708 17.612 -9.999 1.00 0.00 H new ATOM 0 HE ARG A 34 12.249 16.693 -12.344 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.594 19.121 -11.252 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.329 19.304 -12.849 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.198 16.930 -14.408 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.536 18.060 -14.641 1.00 0.00 H new ATOM 326 N ILE A 35 9.105 15.009 -8.764 1.00 0.00 N ATOM 327 CA ILE A 35 8.182 15.395 -7.710 1.00 0.00 C ATOM 328 C ILE A 35 7.225 14.235 -7.426 1.00 0.00 C ATOM 329 O ILE A 35 6.455 14.281 -6.468 1.00 0.00 O ATOM 330 CB ILE A 35 7.474 16.702 -8.071 1.00 0.00 C ATOM 331 CG1 ILE A 35 8.484 17.785 -8.455 1.00 0.00 C ATOM 332 CG2 ILE A 35 6.551 17.156 -6.938 1.00 0.00 C ATOM 333 CD1 ILE A 35 7.775 19.031 -8.991 1.00 0.00 C ATOM 0 H ILE A 35 8.722 15.064 -9.708 1.00 0.00 H new ATOM 0 HA ILE A 35 8.722 15.597 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 35 6.848 16.521 -8.945 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.086 18.050 -7.586 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.168 17.398 -9.210 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.060 18.087 -7.220 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.798 16.390 -6.753 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.137 17.314 -6.033 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.516 19.785 -9.257 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.193 18.767 -9.874 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.110 19.429 -8.225 1.00 0.00 H new ATOM 345 N HIS A 36 7.306 13.222 -8.277 1.00 0.00 N ATOM 346 CA HIS A 36 6.457 12.052 -8.129 1.00 0.00 C ATOM 347 C HIS A 36 7.199 10.813 -8.632 1.00 0.00 C ATOM 348 O HIS A 36 7.473 10.690 -9.825 1.00 0.00 O ATOM 349 CB HIS A 36 5.113 12.264 -8.830 1.00 0.00 C ATOM 350 CG HIS A 36 4.832 13.701 -9.198 1.00 0.00 C ATOM 351 ND1 HIS A 36 4.671 14.699 -8.253 1.00 0.00 N ATOM 352 CD2 HIS A 36 4.687 14.298 -10.416 1.00 0.00 C ATOM 353 CE1 HIS A 36 4.439 15.840 -8.885 1.00 0.00 C ATOM 354 NE2 HIS A 36 4.448 15.589 -10.225 1.00 0.00 N ATOM 0 H HIS A 36 7.946 13.187 -9.071 1.00 0.00 H new ATOM 0 HA HIS A 36 6.230 11.894 -7.075 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.087 11.656 -9.735 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.315 11.903 -8.181 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.722 14.577 -7.242 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.755 13.803 -11.374 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.272 16.800 -8.420 1.00 0.00 H new ATOM 362 N ASN A 37 7.504 9.925 -7.697 1.00 0.00 N ATOM 363 CA ASN A 37 8.209 8.699 -8.030 1.00 0.00 C ATOM 364 C ASN A 37 7.199 7.560 -8.182 1.00 0.00 C ATOM 365 O ASN A 37 7.554 6.464 -8.615 1.00 0.00 O ATOM 366 CB ASN A 37 9.195 8.313 -6.926 1.00 0.00 C ATOM 367 CG ASN A 37 10.254 7.341 -7.451 1.00 0.00 C ATOM 368 OD1 ASN A 37 11.276 7.730 -7.992 1.00 0.00 O ATOM 369 ND2 ASN A 37 9.953 6.060 -7.263 1.00 0.00 N ATOM 0 H ASN A 37 7.276 10.030 -6.709 1.00 0.00 H new ATOM 0 HA ASN A 37 8.755 8.866 -8.958 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.679 9.209 -6.537 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.656 7.856 -6.096 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.595 5.333 -7.579 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.080 5.804 -6.803 1.00 0.00 H new ATOM 376 N ASP A 38 5.960 7.857 -7.817 1.00 0.00 N ATOM 377 CA ASP A 38 4.897 6.872 -7.907 1.00 0.00 C ATOM 378 C ASP A 38 4.081 7.122 -9.177 1.00 0.00 C ATOM 379 O ASP A 38 3.158 6.370 -9.485 1.00 0.00 O ATOM 380 CB ASP A 38 3.950 6.972 -6.710 1.00 0.00 C ATOM 381 CG ASP A 38 4.637 7.154 -5.355 1.00 0.00 C ATOM 382 OD1 ASP A 38 4.259 8.025 -4.558 1.00 0.00 O ATOM 383 OD2 ASP A 38 5.614 6.343 -5.126 1.00 0.00 O ATOM 0 H ASP A 38 5.669 8.766 -7.458 1.00 0.00 H new ATOM 0 HA ASP A 38 5.355 5.883 -7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.271 7.810 -6.872 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.339 6.070 -6.673 1.00 0.00 H new ATOM 389 N VAL A 39 4.452 8.182 -9.881 1.00 0.00 N ATOM 390 CA VAL A 39 3.767 8.541 -11.111 1.00 0.00 C ATOM 391 C VAL A 39 4.535 7.967 -12.303 1.00 0.00 C ATOM 392 O VAL A 39 5.764 7.910 -12.285 1.00 0.00 O ATOM 393 CB VAL A 39 3.590 10.058 -11.187 1.00 0.00 C ATOM 394 CG1 VAL A 39 4.766 10.711 -11.916 1.00 0.00 C ATOM 395 CG2 VAL A 39 2.261 10.422 -11.853 1.00 0.00 C ATOM 0 H VAL A 39 5.218 8.804 -9.623 1.00 0.00 H new ATOM 0 HA VAL A 39 2.766 8.110 -11.132 1.00 0.00 H new ATOM 0 HB VAL A 39 3.571 10.445 -10.168 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.615 11.790 -11.956 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.691 10.493 -11.382 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.831 10.316 -12.930 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.160 11.507 -11.895 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.238 10.016 -12.864 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.437 10.003 -11.275 1.00 0.00 H new ATOM 405 N ILE A 40 3.779 7.557 -13.311 1.00 0.00 N ATOM 406 CA ILE A 40 4.374 6.991 -14.510 1.00 0.00 C ATOM 407 C ILE A 40 3.863 7.751 -15.736 1.00 0.00 C ATOM 408 O ILE A 40 2.656 7.841 -15.956 1.00 0.00 O ATOM 409 CB ILE A 40 4.121 5.483 -14.572 1.00 0.00 C ATOM 410 CG1 ILE A 40 4.514 4.917 -15.938 1.00 0.00 C ATOM 411 CG2 ILE A 40 2.671 5.155 -14.211 1.00 0.00 C ATOM 412 CD1 ILE A 40 3.363 5.047 -16.937 1.00 0.00 C ATOM 0 H ILE A 40 2.760 7.605 -13.322 1.00 0.00 H new ATOM 0 HA ILE A 40 5.457 7.109 -14.490 1.00 0.00 H new ATOM 0 HB ILE A 40 4.755 4.999 -13.829 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.390 5.445 -16.316 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.794 3.869 -15.834 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.518 4.077 -14.263 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.460 5.503 -13.200 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.000 5.651 -14.913 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.669 4.637 -17.900 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.497 4.498 -16.568 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.102 6.099 -17.057 1.00 0.00 H new ATOM 424 N LEU A 41 4.807 8.278 -16.501 1.00 0.00 N ATOM 425 CA LEU A 41 4.467 9.027 -17.699 1.00 0.00 C ATOM 426 C LEU A 41 4.960 8.264 -18.930 1.00 0.00 C ATOM 427 O LEU A 41 6.078 7.749 -18.939 1.00 0.00 O ATOM 428 CB LEU A 41 5.004 10.457 -17.607 1.00 0.00 C ATOM 429 CG LEU A 41 4.570 11.258 -16.377 1.00 0.00 C ATOM 430 CD1 LEU A 41 5.713 11.371 -15.366 1.00 0.00 C ATOM 431 CD2 LEU A 41 4.023 12.628 -16.780 1.00 0.00 C ATOM 0 H LEU A 41 5.807 8.201 -16.315 1.00 0.00 H new ATOM 0 HA LEU A 41 3.385 9.122 -17.794 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.093 10.417 -17.624 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.691 11.000 -18.499 1.00 0.00 H new ATOM 0 HG LEU A 41 3.759 10.720 -15.887 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.379 11.945 -14.502 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.015 10.374 -15.045 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.561 11.875 -15.830 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.722 13.176 -15.887 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.796 13.188 -17.306 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.161 12.498 -17.434 1.00 0.00 H new ATOM 443 N ASP A 42 4.103 8.215 -19.939 1.00 0.00 N ATOM 444 CA ASP A 42 4.438 7.523 -21.172 1.00 0.00 C ATOM 445 C ASP A 42 5.319 8.427 -22.036 1.00 0.00 C ATOM 446 O ASP A 42 4.857 9.445 -22.548 1.00 0.00 O ATOM 447 CB ASP A 42 3.179 7.185 -21.973 1.00 0.00 C ATOM 448 CG ASP A 42 3.433 6.691 -23.399 1.00 0.00 C ATOM 449 OD1 ASP A 42 3.444 5.479 -23.662 1.00 0.00 O ATOM 450 OD2 ASP A 42 3.627 7.621 -24.272 1.00 0.00 O ATOM 0 H ASP A 42 3.177 8.643 -19.928 1.00 0.00 H new ATOM 0 HA ASP A 42 4.958 6.601 -20.911 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.618 6.421 -21.434 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.547 8.072 -22.019 1.00 0.00 H new ATOM 456 N SER A 43 6.574 8.023 -22.172 1.00 0.00 N ATOM 457 CA SER A 43 7.524 8.784 -22.965 1.00 0.00 C ATOM 458 C SER A 43 7.378 8.423 -24.444 1.00 0.00 C ATOM 459 O SER A 43 7.460 9.293 -25.310 1.00 0.00 O ATOM 460 CB SER A 43 8.959 8.532 -22.496 1.00 0.00 C ATOM 461 OG SER A 43 9.823 9.619 -22.815 1.00 0.00 O ATOM 0 H SER A 43 6.955 7.178 -21.746 1.00 0.00 H new ATOM 0 HA SER A 43 7.308 9.844 -22.833 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.965 8.368 -21.418 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.337 7.620 -22.959 1.00 0.00 H new ATOM 0 HG SER A 43 9.330 10.463 -22.736 1.00 0.00 H new ATOM 467 N GLY A 44 7.164 7.139 -24.690 1.00 0.00 N ATOM 468 CA GLY A 44 7.006 6.653 -26.050 1.00 0.00 C ATOM 469 C GLY A 44 8.283 5.969 -26.540 1.00 0.00 C ATOM 470 O GLY A 44 8.505 5.849 -27.744 1.00 0.00 O ATOM 0 H GLY A 44 7.096 6.420 -23.970 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.173 5.951 -26.095 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.758 7.484 -26.710 1.00 0.00 H new ATOM 474 N ASN A 45 9.090 5.537 -25.582 1.00 0.00 N ATOM 475 CA ASN A 45 10.340 4.867 -25.901 1.00 0.00 C ATOM 476 C ASN A 45 10.074 3.376 -26.115 1.00 0.00 C ATOM 477 O ASN A 45 8.941 2.918 -25.978 1.00 0.00 O ATOM 478 CB ASN A 45 11.348 5.009 -24.758 1.00 0.00 C ATOM 479 CG ASN A 45 12.174 6.287 -24.912 1.00 0.00 C ATOM 480 OD1 ASN A 45 11.658 7.393 -24.931 1.00 0.00 O ATOM 481 ND2 ASN A 45 13.483 6.076 -25.020 1.00 0.00 N ATOM 0 H ASN A 45 8.903 5.638 -24.584 1.00 0.00 H new ATOM 0 HA ASN A 45 10.749 5.326 -26.801 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.821 5.025 -23.804 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.010 4.143 -24.742 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.120 6.866 -25.126 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.850 5.125 -24.997 1.00 0.00 H new ATOM 488 N ASP A 46 11.138 2.660 -26.447 1.00 0.00 N ATOM 489 CA ASP A 46 11.034 1.229 -26.681 1.00 0.00 C ATOM 490 C ASP A 46 10.304 0.576 -25.505 1.00 0.00 C ATOM 491 O ASP A 46 10.922 0.237 -24.497 1.00 0.00 O ATOM 492 CB ASP A 46 12.418 0.587 -26.793 1.00 0.00 C ATOM 493 CG ASP A 46 13.113 0.780 -28.142 1.00 0.00 C ATOM 494 OD1 ASP A 46 14.286 1.177 -28.205 1.00 0.00 O ATOM 495 OD2 ASP A 46 12.390 0.501 -29.173 1.00 0.00 O ATOM 0 H ASP A 46 12.076 3.044 -26.560 1.00 0.00 H new ATOM 0 HA ASP A 46 10.490 1.079 -27.614 1.00 0.00 H new ATOM 0 HB2 ASP A 46 13.056 0.997 -26.010 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.323 -0.482 -26.600 1.00 0.00 H new ATOM 501 N ALA A 47 8.999 0.420 -25.674 1.00 0.00 N ATOM 502 CA ALA A 47 8.178 -0.186 -24.640 1.00 0.00 C ATOM 503 C ALA A 47 8.601 -1.644 -24.448 1.00 0.00 C ATOM 504 O ALA A 47 8.369 -2.228 -23.391 1.00 0.00 O ATOM 505 CB ALA A 47 6.701 -0.052 -25.016 1.00 0.00 C ATOM 0 H ALA A 47 8.490 0.703 -26.512 1.00 0.00 H new ATOM 0 HA ALA A 47 8.320 0.326 -23.688 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.085 -0.507 -24.240 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.444 1.003 -25.111 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.520 -0.557 -25.965 1.00 0.00 H new ATOM 511 N SER A 48 9.215 -2.190 -25.488 1.00 0.00 N ATOM 512 CA SER A 48 9.673 -3.568 -25.447 1.00 0.00 C ATOM 513 C SER A 48 10.803 -3.715 -24.426 1.00 0.00 C ATOM 514 O SER A 48 10.945 -4.763 -23.799 1.00 0.00 O ATOM 515 CB SER A 48 10.141 -4.034 -26.827 1.00 0.00 C ATOM 516 OG SER A 48 10.675 -5.355 -26.792 1.00 0.00 O ATOM 0 H SER A 48 9.406 -1.703 -26.364 1.00 0.00 H new ATOM 0 HA SER A 48 8.836 -4.197 -25.145 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.304 -4.000 -27.524 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.898 -3.347 -27.204 1.00 0.00 H new ATOM 0 HG SER A 48 10.961 -5.616 -27.692 1.00 0.00 H new ATOM 522 N SER A 49 11.577 -2.648 -24.292 1.00 0.00 N ATOM 523 CA SER A 49 12.690 -2.645 -23.357 1.00 0.00 C ATOM 524 C SER A 49 12.169 -2.741 -21.922 1.00 0.00 C ATOM 525 O SER A 49 12.698 -3.504 -21.116 1.00 0.00 O ATOM 526 CB SER A 49 13.549 -1.390 -23.528 1.00 0.00 C ATOM 527 OG SER A 49 13.613 -0.968 -24.887 1.00 0.00 O ATOM 0 H SER A 49 11.456 -1.780 -24.814 1.00 0.00 H new ATOM 0 HA SER A 49 13.316 -3.512 -23.567 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.140 -0.585 -22.917 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.556 -1.588 -23.162 1.00 0.00 H new ATOM 0 HG SER A 49 14.383 -0.374 -25.009 1.00 0.00 H new ATOM 533 N ALA A 50 11.138 -1.955 -21.647 1.00 0.00 N ATOM 534 CA ALA A 50 10.540 -1.942 -20.323 1.00 0.00 C ATOM 535 C ALA A 50 9.884 -3.298 -20.051 1.00 0.00 C ATOM 536 O ALA A 50 10.123 -3.908 -19.010 1.00 0.00 O ATOM 537 CB ALA A 50 9.546 -0.783 -20.224 1.00 0.00 C ATOM 0 H ALA A 50 10.702 -1.323 -22.318 1.00 0.00 H new ATOM 0 HA ALA A 50 11.301 -1.785 -19.559 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.097 -0.773 -19.231 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.067 0.159 -20.397 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.765 -0.908 -20.974 1.00 0.00 H new ATOM 543 N TYR A 51 9.071 -3.728 -21.004 1.00 0.00 N ATOM 544 CA TYR A 51 8.380 -5.000 -20.880 1.00 0.00 C ATOM 545 C TYR A 51 9.361 -6.129 -20.557 1.00 0.00 C ATOM 546 O TYR A 51 9.114 -6.933 -19.659 1.00 0.00 O ATOM 547 CB TYR A 51 7.744 -5.269 -22.245 1.00 0.00 C ATOM 548 CG TYR A 51 6.742 -4.200 -22.686 1.00 0.00 C ATOM 549 CD1 TYR A 51 6.229 -3.312 -21.763 1.00 0.00 C ATOM 550 CD2 TYR A 51 6.350 -4.124 -24.008 1.00 0.00 C ATOM 551 CE1 TYR A 51 5.286 -2.306 -22.178 1.00 0.00 C ATOM 552 CE2 TYR A 51 5.407 -3.118 -24.423 1.00 0.00 C ATOM 553 CZ TYR A 51 4.922 -2.259 -23.487 1.00 0.00 C ATOM 554 OH TYR A 51 4.031 -1.309 -23.879 1.00 0.00 O ATOM 0 H TYR A 51 8.875 -3.218 -21.866 1.00 0.00 H new ATOM 0 HA TYR A 51 7.645 -4.960 -20.076 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.533 -5.344 -22.994 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.240 -6.235 -22.216 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.535 -3.371 -20.729 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.751 -4.819 -24.731 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.877 -1.605 -21.466 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.092 -3.047 -25.454 1.00 0.00 H new ATOM 0 HH TYR A 51 4.156 -0.501 -23.339 1.00 0.00 H new ATOM 564 N LYS A 52 10.454 -6.152 -21.306 1.00 0.00 N ATOM 565 CA LYS A 52 11.473 -7.169 -21.110 1.00 0.00 C ATOM 566 C LYS A 52 12.030 -7.060 -19.690 1.00 0.00 C ATOM 567 O LYS A 52 12.151 -8.063 -18.988 1.00 0.00 O ATOM 568 CB LYS A 52 12.543 -7.071 -22.200 1.00 0.00 C ATOM 569 CG LYS A 52 13.842 -6.486 -21.641 1.00 0.00 C ATOM 570 CD LYS A 52 14.929 -6.439 -22.717 1.00 0.00 C ATOM 571 CE LYS A 52 15.847 -7.659 -22.622 1.00 0.00 C ATOM 572 NZ LYS A 52 17.055 -7.465 -23.455 1.00 0.00 N ATOM 0 H LYS A 52 10.656 -5.483 -22.049 1.00 0.00 H new ATOM 0 HA LYS A 52 11.041 -8.165 -21.207 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.735 -8.060 -22.617 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.180 -6.446 -23.016 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.658 -5.481 -21.260 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.184 -7.088 -20.799 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.468 -6.403 -23.704 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.517 -5.528 -22.606 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.136 -7.824 -21.584 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.312 -8.550 -22.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.667 -8.302 -23.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.774 -7.330 -24.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.573 -6.626 -23.125 1.00 0.00 H new ATOM 586 N LEU A 53 12.355 -5.833 -19.308 1.00 0.00 N ATOM 587 CA LEU A 53 12.896 -5.580 -17.983 1.00 0.00 C ATOM 588 C LEU A 53 11.850 -5.950 -16.930 1.00 0.00 C ATOM 589 O LEU A 53 12.196 -6.322 -15.810 1.00 0.00 O ATOM 590 CB LEU A 53 13.394 -4.138 -17.875 1.00 0.00 C ATOM 591 CG LEU A 53 14.381 -3.852 -16.741 1.00 0.00 C ATOM 592 CD1 LEU A 53 13.672 -3.855 -15.384 1.00 0.00 C ATOM 593 CD2 LEU A 53 15.555 -4.833 -16.775 1.00 0.00 C ATOM 0 H LEU A 53 12.254 -5.004 -19.893 1.00 0.00 H new ATOM 0 HA LEU A 53 13.768 -6.209 -17.801 1.00 0.00 H new ATOM 0 HB2 LEU A 53 13.867 -3.866 -18.819 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.530 -3.485 -17.752 1.00 0.00 H new ATOM 0 HG LEU A 53 14.791 -2.853 -16.889 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.395 -3.649 -14.595 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.898 -3.087 -15.376 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.217 -4.831 -15.213 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.241 -4.608 -15.959 1.00 0.00 H new ATOM 0 HD22 LEU A 53 15.182 -5.851 -16.665 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.079 -4.740 -17.726 1.00 0.00 H new ATOM 605 N GLY A 54 10.591 -5.836 -17.328 1.00 0.00 N ATOM 606 CA GLY A 54 9.492 -6.154 -16.432 1.00 0.00 C ATOM 607 C GLY A 54 9.476 -7.646 -16.092 1.00 0.00 C ATOM 608 O GLY A 54 9.500 -8.019 -14.920 1.00 0.00 O ATOM 0 H GLY A 54 10.308 -5.528 -18.258 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.584 -5.570 -15.516 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.547 -5.873 -16.896 1.00 0.00 H new ATOM 612 N THR A 55 9.436 -8.458 -17.137 1.00 0.00 N ATOM 613 CA THR A 55 9.416 -9.901 -16.964 1.00 0.00 C ATOM 614 C THR A 55 10.646 -10.360 -16.177 1.00 0.00 C ATOM 615 O THR A 55 10.540 -11.208 -15.293 1.00 0.00 O ATOM 616 CB THR A 55 9.306 -10.542 -18.348 1.00 0.00 C ATOM 617 OG1 THR A 55 9.559 -11.925 -18.112 1.00 0.00 O ATOM 618 CG2 THR A 55 10.437 -10.111 -19.285 1.00 0.00 C ATOM 0 H THR A 55 9.417 -8.145 -18.107 1.00 0.00 H new ATOM 0 HA THR A 55 8.555 -10.217 -16.375 1.00 0.00 H new ATOM 0 HB THR A 55 8.346 -10.280 -18.793 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.506 -12.416 -18.958 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.311 -10.595 -20.254 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.411 -9.029 -19.414 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.396 -10.402 -18.856 1.00 0.00 H new ATOM 626 N TYR A 56 11.784 -9.779 -16.529 1.00 0.00 N ATOM 627 CA TYR A 56 13.032 -10.118 -15.867 1.00 0.00 C ATOM 628 C TYR A 56 12.980 -9.758 -14.381 1.00 0.00 C ATOM 629 O TYR A 56 13.435 -10.527 -13.535 1.00 0.00 O ATOM 630 CB TYR A 56 14.112 -9.274 -16.546 1.00 0.00 C ATOM 631 CG TYR A 56 15.504 -9.432 -15.931 1.00 0.00 C ATOM 632 CD1 TYR A 56 16.239 -10.575 -16.169 1.00 0.00 C ATOM 633 CD2 TYR A 56 16.025 -8.430 -15.137 1.00 0.00 C ATOM 634 CE1 TYR A 56 17.549 -10.724 -15.590 1.00 0.00 C ATOM 635 CE2 TYR A 56 17.334 -8.578 -14.557 1.00 0.00 C ATOM 636 CZ TYR A 56 18.032 -9.718 -14.812 1.00 0.00 C ATOM 637 OH TYR A 56 19.269 -9.857 -14.265 1.00 0.00 O ATOM 0 H TYR A 56 11.868 -9.076 -17.264 1.00 0.00 H new ATOM 0 HA TYR A 56 13.228 -11.188 -15.942 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.159 -9.544 -17.601 1.00 0.00 H new ATOM 0 HB3 TYR A 56 13.822 -8.224 -16.498 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.831 -11.359 -16.790 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.450 -7.535 -14.951 1.00 0.00 H new ATOM 0 HE1 TYR A 56 18.134 -11.614 -15.769 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.753 -7.802 -13.934 1.00 0.00 H new ATOM 0 HH TYR A 56 19.484 -9.061 -13.735 1.00 0.00 H new ATOM 647 N LEU A 57 12.422 -8.588 -14.107 1.00 0.00 N ATOM 648 CA LEU A 57 12.305 -8.116 -12.738 1.00 0.00 C ATOM 649 C LEU A 57 11.165 -8.863 -12.042 1.00 0.00 C ATOM 650 O LEU A 57 11.156 -8.988 -10.818 1.00 0.00 O ATOM 651 CB LEU A 57 12.152 -6.594 -12.707 1.00 0.00 C ATOM 652 CG LEU A 57 11.358 -6.023 -11.530 1.00 0.00 C ATOM 653 CD1 LEU A 57 9.861 -6.288 -11.699 1.00 0.00 C ATOM 654 CD2 LEU A 57 11.888 -6.560 -10.199 1.00 0.00 C ATOM 0 H LEU A 57 12.046 -7.953 -14.811 1.00 0.00 H new ATOM 0 HA LEU A 57 13.216 -8.333 -12.181 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.147 -6.149 -12.698 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.670 -6.278 -13.632 1.00 0.00 H new ATOM 0 HG LEU A 57 11.495 -4.942 -11.518 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.320 -5.872 -10.849 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.510 -5.819 -12.618 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.685 -7.363 -11.750 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.306 -6.139 -9.379 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.801 -7.646 -10.185 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.935 -6.278 -10.084 1.00 0.00 H new ATOM 666 N TYR A 58 10.231 -9.339 -12.852 1.00 0.00 N ATOM 667 CA TYR A 58 9.089 -10.070 -12.329 1.00 0.00 C ATOM 668 C TYR A 58 9.456 -11.527 -12.038 1.00 0.00 C ATOM 669 O TYR A 58 8.880 -12.150 -11.148 1.00 0.00 O ATOM 670 CB TYR A 58 8.026 -10.034 -13.428 1.00 0.00 C ATOM 671 CG TYR A 58 7.267 -8.709 -13.518 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.874 -8.060 -12.365 1.00 0.00 C ATOM 673 CD2 TYR A 58 6.976 -8.162 -14.751 1.00 0.00 C ATOM 674 CE1 TYR A 58 6.160 -6.812 -12.449 1.00 0.00 C ATOM 675 CE2 TYR A 58 6.262 -6.914 -14.835 1.00 0.00 C ATOM 676 CZ TYR A 58 5.889 -6.301 -13.680 1.00 0.00 C ATOM 677 OH TYR A 58 5.215 -5.122 -13.759 1.00 0.00 O ATOM 0 H TYR A 58 10.242 -9.233 -13.866 1.00 0.00 H new ATOM 0 HA TYR A 58 8.742 -9.624 -11.397 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.504 -10.233 -14.387 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.312 -10.839 -13.254 1.00 0.00 H new ATOM 0 HD1 TYR A 58 7.102 -8.488 -11.400 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.284 -8.670 -15.653 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.847 -6.294 -11.555 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.028 -6.475 -15.794 1.00 0.00 H new ATOM 0 HH TYR A 58 5.419 -4.575 -12.972 1.00 0.00 H new ATOM 687 N GLN A 59 10.413 -12.026 -12.806 1.00 0.00 N ATOM 688 CA GLN A 59 10.864 -13.398 -12.643 1.00 0.00 C ATOM 689 C GLN A 59 12.251 -13.578 -13.264 1.00 0.00 C ATOM 690 O GLN A 59 12.619 -12.856 -14.189 1.00 0.00 O ATOM 691 CB GLN A 59 9.860 -14.381 -13.247 1.00 0.00 C ATOM 692 CG GLN A 59 10.006 -15.769 -12.620 1.00 0.00 C ATOM 693 CD GLN A 59 9.733 -15.722 -11.115 1.00 0.00 C ATOM 694 OE1 GLN A 59 10.635 -15.717 -10.294 1.00 0.00 O ATOM 695 NE2 GLN A 59 8.441 -15.688 -10.801 1.00 0.00 N ATOM 0 H GLN A 59 10.889 -11.505 -13.543 1.00 0.00 H new ATOM 0 HA GLN A 59 10.935 -13.613 -11.577 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.846 -14.012 -13.091 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.013 -14.447 -14.324 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.314 -16.462 -13.097 1.00 0.00 H new ATOM 0 HG3 GLN A 59 11.012 -16.149 -12.799 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.737 -15.695 -11.539 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.155 -15.655 -9.823 1.00 0.00 H new ATOM 856 N LEU A 70 3.393 -14.917 -18.266 1.00 0.00 N ATOM 857 CA LEU A 70 4.180 -13.714 -18.478 1.00 0.00 C ATOM 858 C LEU A 70 3.294 -12.635 -19.105 1.00 0.00 C ATOM 859 O LEU A 70 3.533 -11.443 -18.916 1.00 0.00 O ATOM 860 CB LEU A 70 5.434 -14.031 -19.295 1.00 0.00 C ATOM 861 CG LEU A 70 6.669 -13.182 -18.985 1.00 0.00 C ATOM 862 CD1 LEU A 70 6.559 -11.799 -19.630 1.00 0.00 C ATOM 863 CD2 LEU A 70 6.909 -13.094 -17.477 1.00 0.00 C ATOM 0 HA LEU A 70 4.539 -13.320 -17.527 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.690 -15.079 -19.139 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.194 -13.915 -20.352 1.00 0.00 H new ATOM 0 HG LEU A 70 7.539 -13.672 -19.421 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.449 -11.216 -19.394 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.472 -11.908 -20.711 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.677 -11.287 -19.245 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.792 -12.485 -17.284 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.043 -12.639 -16.997 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.063 -14.095 -17.074 1.00 0.00 H new ATOM 875 N THR A 71 2.290 -13.091 -19.840 1.00 0.00 N ATOM 876 CA THR A 71 1.368 -12.180 -20.495 1.00 0.00 C ATOM 877 C THR A 71 0.808 -11.172 -19.489 1.00 0.00 C ATOM 878 O THR A 71 0.539 -10.024 -19.839 1.00 0.00 O ATOM 879 CB THR A 71 0.288 -13.015 -21.185 1.00 0.00 C ATOM 880 OG1 THR A 71 0.912 -13.473 -22.381 1.00 0.00 O ATOM 881 CG2 THR A 71 -0.884 -12.165 -21.678 1.00 0.00 C ATOM 0 H THR A 71 2.095 -14.080 -19.996 1.00 0.00 H new ATOM 0 HA THR A 71 1.874 -11.585 -21.255 1.00 0.00 H new ATOM 0 HB THR A 71 -0.079 -13.774 -20.494 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.281 -14.025 -22.889 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.622 -12.807 -22.160 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.344 -11.654 -20.832 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.522 -11.427 -22.394 1.00 0.00 H new ATOM 889 N GLU A 72 0.649 -11.639 -18.259 1.00 0.00 N ATOM 890 CA GLU A 72 0.126 -10.793 -17.200 1.00 0.00 C ATOM 891 C GLU A 72 1.046 -9.590 -16.978 1.00 0.00 C ATOM 892 O GLU A 72 0.586 -8.449 -16.955 1.00 0.00 O ATOM 893 CB GLU A 72 -0.060 -11.587 -15.906 1.00 0.00 C ATOM 894 CG GLU A 72 -1.417 -12.293 -15.886 1.00 0.00 C ATOM 895 CD GLU A 72 -1.557 -13.177 -14.645 1.00 0.00 C ATOM 896 OE1 GLU A 72 -0.712 -14.053 -14.408 1.00 0.00 O ATOM 897 OE2 GLU A 72 -2.589 -12.927 -13.911 1.00 0.00 O ATOM 0 H GLU A 72 0.873 -12.592 -17.973 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.853 -10.425 -17.506 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.738 -12.323 -15.809 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.018 -10.917 -15.050 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.217 -11.552 -15.901 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.528 -12.901 -16.784 1.00 0.00 H new ATOM 905 N ALA A 73 2.327 -9.887 -16.821 1.00 0.00 N ATOM 906 CA ALA A 73 3.315 -8.844 -16.602 1.00 0.00 C ATOM 907 C ALA A 73 3.308 -7.882 -17.791 1.00 0.00 C ATOM 908 O ALA A 73 3.194 -6.671 -17.614 1.00 0.00 O ATOM 909 CB ALA A 73 4.688 -9.481 -16.375 1.00 0.00 C ATOM 0 H ALA A 73 2.704 -10.835 -16.841 1.00 0.00 H new ATOM 0 HA ALA A 73 3.072 -8.267 -15.710 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.429 -8.699 -16.211 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.647 -10.132 -15.501 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.967 -10.067 -17.251 1.00 0.00 H new ATOM 915 N ARG A 74 3.431 -8.459 -18.978 1.00 0.00 N ATOM 916 CA ARG A 74 3.441 -7.668 -20.197 1.00 0.00 C ATOM 917 C ARG A 74 2.217 -6.751 -20.244 1.00 0.00 C ATOM 918 O ARG A 74 2.293 -5.633 -20.751 1.00 0.00 O ATOM 919 CB ARG A 74 3.445 -8.566 -21.436 1.00 0.00 C ATOM 920 CG ARG A 74 4.874 -8.918 -21.853 1.00 0.00 C ATOM 921 CD ARG A 74 4.876 -9.893 -23.032 1.00 0.00 C ATOM 922 NE ARG A 74 4.549 -9.174 -24.284 1.00 0.00 N ATOM 923 CZ ARG A 74 4.401 -9.769 -25.475 1.00 0.00 C ATOM 924 NH1 ARG A 74 4.549 -11.097 -25.584 1.00 0.00 N ATOM 925 NH2 ARG A 74 4.103 -9.037 -26.558 1.00 0.00 N ATOM 0 H ARG A 74 3.525 -9.465 -19.121 1.00 0.00 H new ATOM 0 HA ARG A 74 4.350 -7.067 -20.195 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.887 -9.479 -21.229 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.937 -8.061 -22.257 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.411 -8.010 -22.126 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.404 -9.360 -21.010 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.853 -10.368 -23.120 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.150 -10.687 -22.859 1.00 0.00 H new ATOM 0 HE ARG A 74 4.429 -8.162 -24.237 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.774 -11.654 -24.760 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.436 -11.550 -26.491 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.989 -8.027 -26.475 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.990 -9.490 -27.465 1.00 0.00 H new ATOM 939 N ASP A 75 1.116 -7.258 -19.708 1.00 0.00 N ATOM 940 CA ASP A 75 -0.122 -6.498 -19.682 1.00 0.00 C ATOM 941 C ASP A 75 -0.034 -5.423 -18.598 1.00 0.00 C ATOM 942 O ASP A 75 -0.645 -4.362 -18.719 1.00 0.00 O ATOM 943 CB ASP A 75 -1.315 -7.400 -19.358 1.00 0.00 C ATOM 944 CG ASP A 75 -2.655 -6.675 -19.221 1.00 0.00 C ATOM 945 OD1 ASP A 75 -2.795 -5.510 -19.622 1.00 0.00 O ATOM 946 OD2 ASP A 75 -3.595 -7.366 -18.668 1.00 0.00 O ATOM 0 H ASP A 75 1.056 -8.186 -19.288 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.264 -6.051 -20.666 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.405 -8.153 -20.141 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.109 -7.930 -18.428 1.00 0.00 H new ATOM 952 N ALA A 76 0.732 -5.734 -17.562 1.00 0.00 N ATOM 953 CA ALA A 76 0.909 -4.807 -16.457 1.00 0.00 C ATOM 954 C ALA A 76 1.638 -3.558 -16.956 1.00 0.00 C ATOM 955 O ALA A 76 1.289 -2.440 -16.581 1.00 0.00 O ATOM 956 CB ALA A 76 1.659 -5.505 -15.320 1.00 0.00 C ATOM 0 H ALA A 76 1.237 -6.615 -17.465 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.057 -4.490 -16.064 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.792 -4.810 -14.491 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.085 -6.368 -14.982 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.635 -5.835 -15.677 1.00 0.00 H new ATOM 962 N ILE A 77 2.637 -3.790 -17.795 1.00 0.00 N ATOM 963 CA ILE A 77 3.418 -2.698 -18.349 1.00 0.00 C ATOM 964 C ILE A 77 2.614 -2.012 -19.456 1.00 0.00 C ATOM 965 O ILE A 77 2.514 -0.786 -19.487 1.00 0.00 O ATOM 966 CB ILE A 77 4.790 -3.198 -18.806 1.00 0.00 C ATOM 967 CG1 ILE A 77 5.215 -4.434 -18.012 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.833 -2.081 -18.730 1.00 0.00 C ATOM 969 CD1 ILE A 77 4.905 -4.263 -16.523 1.00 0.00 C ATOM 0 H ILE A 77 2.923 -4.719 -18.104 1.00 0.00 H new ATOM 0 HA ILE A 77 3.616 -1.946 -17.585 1.00 0.00 H new ATOM 0 HB ILE A 77 4.714 -3.497 -19.851 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.697 -5.313 -18.396 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.282 -4.608 -18.147 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.799 -2.462 -19.060 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.530 -1.255 -19.374 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.914 -1.728 -17.702 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.217 -5.156 -15.981 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.443 -3.398 -16.136 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.834 -4.113 -16.389 1.00 0.00 H new ATOM 981 N LYS A 78 2.061 -2.832 -20.337 1.00 0.00 N ATOM 982 CA LYS A 78 1.269 -2.320 -21.442 1.00 0.00 C ATOM 983 C LYS A 78 0.035 -1.602 -20.890 1.00 0.00 C ATOM 984 O LYS A 78 -0.486 -0.683 -21.520 1.00 0.00 O ATOM 985 CB LYS A 78 0.937 -3.441 -22.429 1.00 0.00 C ATOM 986 CG LYS A 78 -0.310 -3.101 -23.247 1.00 0.00 C ATOM 987 CD LYS A 78 -0.641 -4.223 -24.234 1.00 0.00 C ATOM 988 CE LYS A 78 0.634 -4.826 -24.826 1.00 0.00 C ATOM 989 NZ LYS A 78 1.445 -3.779 -25.486 1.00 0.00 N ATOM 0 H LYS A 78 2.146 -3.848 -20.308 1.00 0.00 H new ATOM 0 HA LYS A 78 1.839 -1.585 -22.010 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.782 -3.603 -23.098 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.777 -4.373 -21.886 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.155 -2.939 -22.578 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.150 -2.169 -23.790 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.214 -5.000 -23.728 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.269 -3.834 -25.035 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.217 -5.303 -24.038 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.376 -5.602 -25.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.620 -4.048 -26.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.933 -2.874 -25.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.353 -3.678 -24.989 1.00 0.00 H new ATOM 1003 N ASP A 79 -0.396 -2.049 -19.720 1.00 0.00 N ATOM 1004 CA ASP A 79 -1.558 -1.461 -19.077 1.00 0.00 C ATOM 1005 C ASP A 79 -1.181 -0.093 -18.504 1.00 0.00 C ATOM 1006 O ASP A 79 -1.887 0.891 -18.720 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.052 -2.337 -17.923 1.00 0.00 C ATOM 1008 CG ASP A 79 -3.018 -1.649 -16.956 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -4.104 -1.200 -17.351 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -2.611 -1.583 -15.734 1.00 0.00 O ATOM 0 H ASP A 79 0.039 -2.812 -19.201 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.347 -1.370 -19.824 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.543 -3.217 -18.339 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.188 -2.691 -17.360 1.00 0.00 H new ATOM 1016 N ALA A 80 -0.069 -0.075 -17.783 1.00 0.00 N ATOM 1017 CA ALA A 80 0.411 1.155 -17.178 1.00 0.00 C ATOM 1018 C ALA A 80 0.687 2.185 -18.275 1.00 0.00 C ATOM 1019 O ALA A 80 0.322 3.352 -18.143 1.00 0.00 O ATOM 1020 CB ALA A 80 1.650 0.859 -16.331 1.00 0.00 C ATOM 0 H ALA A 80 0.513 -0.893 -17.605 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.344 1.575 -16.514 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.010 1.783 -15.877 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.393 0.146 -15.548 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.431 0.437 -16.964 1.00 0.00 H new ATOM 1026 N TYR A 81 1.331 1.715 -19.334 1.00 0.00 N ATOM 1027 CA TYR A 81 1.661 2.580 -20.454 1.00 0.00 C ATOM 1028 C TYR A 81 0.395 3.124 -21.118 1.00 0.00 C ATOM 1029 O TYR A 81 0.314 4.311 -21.431 1.00 0.00 O ATOM 1030 CB TYR A 81 2.413 1.703 -21.457 1.00 0.00 C ATOM 1031 CG TYR A 81 3.913 1.585 -21.179 1.00 0.00 C ATOM 1032 CD1 TYR A 81 4.356 1.248 -19.916 1.00 0.00 C ATOM 1033 CD2 TYR A 81 4.822 1.815 -22.190 1.00 0.00 C ATOM 1034 CE1 TYR A 81 5.767 1.137 -19.654 1.00 0.00 C ATOM 1035 CE2 TYR A 81 6.234 1.704 -21.928 1.00 0.00 C ATOM 1036 CZ TYR A 81 6.637 1.370 -20.673 1.00 0.00 C ATOM 1037 OH TYR A 81 7.970 1.265 -20.426 1.00 0.00 O ATOM 0 H TYR A 81 1.633 0.746 -19.440 1.00 0.00 H new ATOM 0 HA TYR A 81 2.252 3.433 -20.119 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.974 0.705 -21.453 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.270 2.110 -22.458 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.644 1.068 -19.124 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.475 2.078 -23.178 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.127 0.875 -18.670 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.956 1.882 -22.711 1.00 0.00 H new ATOM 0 HH TYR A 81 8.114 1.116 -19.468 1.00 0.00 H new ATOM 1047 N GLU A 82 -0.563 2.229 -21.315 1.00 0.00 N ATOM 1048 CA GLU A 82 -1.821 2.604 -21.937 1.00 0.00 C ATOM 1049 C GLU A 82 -2.687 3.391 -20.950 1.00 0.00 C ATOM 1050 O GLU A 82 -3.557 4.160 -21.358 1.00 0.00 O ATOM 1051 CB GLU A 82 -2.565 1.372 -22.457 1.00 0.00 C ATOM 1052 CG GLU A 82 -3.633 1.767 -23.478 1.00 0.00 C ATOM 1053 CD GLU A 82 -4.862 2.359 -22.786 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -5.294 1.844 -21.743 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -5.372 3.391 -23.368 1.00 0.00 O ATOM 0 H GLU A 82 -0.493 1.245 -21.055 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.604 3.244 -22.792 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.857 0.682 -22.915 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.030 0.845 -21.624 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.221 2.493 -24.178 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.925 0.893 -24.060 1.00 0.00 H new ATOM 1063 N SER A 83 -2.419 3.172 -19.671 1.00 0.00 N ATOM 1064 CA SER A 83 -3.162 3.851 -18.624 1.00 0.00 C ATOM 1065 C SER A 83 -2.613 5.265 -18.425 1.00 0.00 C ATOM 1066 O SER A 83 -3.361 6.185 -18.099 1.00 0.00 O ATOM 1067 CB SER A 83 -3.102 3.069 -17.310 1.00 0.00 C ATOM 1068 OG SER A 83 -1.828 3.177 -16.682 1.00 0.00 O ATOM 0 H SER A 83 -1.697 2.534 -19.336 1.00 0.00 H new ATOM 0 HA SER A 83 -4.206 3.913 -18.931 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.872 3.438 -16.633 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.323 2.019 -17.503 1.00 0.00 H new ATOM 0 HG SER A 83 -1.154 3.423 -17.350 1.00 0.00 H new ATOM 1074 N TYR A 84 -1.310 5.394 -18.629 1.00 0.00 N ATOM 1075 CA TYR A 84 -0.652 6.680 -18.477 1.00 0.00 C ATOM 1076 C TYR A 84 -0.219 7.239 -19.834 1.00 0.00 C ATOM 1077 O TYR A 84 0.444 8.273 -19.900 1.00 0.00 O ATOM 1078 CB TYR A 84 0.593 6.419 -17.626 1.00 0.00 C ATOM 1079 CG TYR A 84 0.317 6.357 -16.122 1.00 0.00 C ATOM 1080 CD1 TYR A 84 0.186 7.523 -15.396 1.00 0.00 C ATOM 1081 CD2 TYR A 84 0.199 5.134 -15.493 1.00 0.00 C ATOM 1082 CE1 TYR A 84 -0.073 7.464 -13.981 1.00 0.00 C ATOM 1083 CE2 TYR A 84 -0.061 5.076 -14.077 1.00 0.00 C ATOM 1084 CZ TYR A 84 -0.184 6.244 -13.391 1.00 0.00 C ATOM 1085 OH TYR A 84 -0.429 6.188 -12.055 1.00 0.00 O ATOM 0 H TYR A 84 -0.692 4.628 -18.898 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.327 7.404 -18.020 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.045 5.479 -17.941 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.324 7.205 -17.819 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.278 8.480 -15.889 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.301 4.222 -16.062 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.177 8.369 -13.401 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.156 4.126 -13.572 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.484 5.252 -11.772 1.00 0.00 H new ATOM 1095 N CYS A 85 -0.613 6.531 -20.882 1.00 0.00 N ATOM 1096 CA CYS A 85 -0.274 6.944 -22.233 1.00 0.00 C ATOM 1097 C CYS A 85 -0.992 8.263 -22.527 1.00 0.00 C ATOM 1098 O CYS A 85 -2.137 8.454 -22.122 1.00 0.00 O ATOM 1099 CB CYS A 85 -0.623 5.864 -23.259 1.00 0.00 C ATOM 1100 SG CYS A 85 -1.143 6.639 -24.833 1.00 0.00 S ATOM 0 H CYS A 85 -1.164 5.674 -20.823 1.00 0.00 H new ATOM 0 HA CYS A 85 0.803 7.092 -22.311 1.00 0.00 H new ATOM 0 HB2 CYS A 85 0.240 5.220 -23.429 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.422 5.231 -22.875 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.435 5.713 -25.697 1.00 0.00 H new ATOM 1106 N GLY A 86 -0.289 9.139 -23.230 1.00 0.00 N ATOM 1107 CA GLY A 86 -0.845 10.434 -23.583 1.00 0.00 C ATOM 1108 C GLY A 86 -0.188 11.552 -22.771 1.00 0.00 C ATOM 1109 O GLY A 86 -0.266 12.722 -23.142 1.00 0.00 O ATOM 0 H GLY A 86 0.661 8.977 -23.565 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.699 10.619 -24.647 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.920 10.433 -23.404 1.00 0.00 H new ATOM 1113 N ILE A 87 0.445 11.152 -21.678 1.00 0.00 N ATOM 1114 CA ILE A 87 1.115 12.106 -20.810 1.00 0.00 C ATOM 1115 C ILE A 87 2.565 11.667 -20.601 1.00 0.00 C ATOM 1116 O ILE A 87 2.821 10.575 -20.096 1.00 0.00 O ATOM 1117 CB ILE A 87 0.333 12.286 -19.507 1.00 0.00 C ATOM 1118 CG1 ILE A 87 0.626 11.146 -18.530 1.00 0.00 C ATOM 1119 CG2 ILE A 87 -1.165 12.435 -19.783 1.00 0.00 C ATOM 1120 CD1 ILE A 87 -0.591 10.853 -17.649 1.00 0.00 C ATOM 0 H ILE A 87 0.508 10.181 -21.374 1.00 0.00 H new ATOM 0 HA ILE A 87 1.143 13.091 -21.276 1.00 0.00 H new ATOM 0 HB ILE A 87 0.666 13.209 -19.033 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.903 10.249 -19.084 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.478 11.409 -17.903 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.698 12.561 -18.841 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.334 13.307 -20.415 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.532 11.543 -20.290 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.356 10.039 -16.964 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.850 11.745 -17.078 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.434 10.567 -18.277 1.00 0.00 H new ATOM 1132 N ASP A 88 3.478 12.541 -21.000 1.00 0.00 N ATOM 1133 CA ASP A 88 4.896 12.258 -20.863 1.00 0.00 C ATOM 1134 C ASP A 88 5.510 13.228 -19.852 1.00 0.00 C ATOM 1135 O ASP A 88 6.628 13.016 -19.383 1.00 0.00 O ATOM 1136 CB ASP A 88 5.626 12.439 -22.195 1.00 0.00 C ATOM 1137 CG ASP A 88 7.112 12.784 -22.077 1.00 0.00 C ATOM 1138 OD1 ASP A 88 7.483 13.827 -21.519 1.00 0.00 O ATOM 1139 OD2 ASP A 88 7.915 11.918 -22.595 1.00 0.00 O ATOM 0 H ASP A 88 3.262 13.446 -21.418 1.00 0.00 H new ATOM 0 HA ASP A 88 5.003 11.225 -20.531 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.527 11.521 -22.774 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.129 13.228 -22.760 1.00 0.00 H new ATOM 1145 N ASP A 89 4.753 14.271 -19.545 1.00 0.00 N ATOM 1146 CA ASP A 89 5.209 15.274 -18.598 1.00 0.00 C ATOM 1147 C ASP A 89 4.002 16.038 -18.051 1.00 0.00 C ATOM 1148 O ASP A 89 2.989 16.179 -18.735 1.00 0.00 O ATOM 1149 CB ASP A 89 6.142 16.283 -19.270 1.00 0.00 C ATOM 1150 CG ASP A 89 5.570 16.961 -20.517 1.00 0.00 C ATOM 1151 OD1 ASP A 89 4.346 17.012 -20.712 1.00 0.00 O ATOM 1152 OD2 ASP A 89 6.450 17.459 -21.319 1.00 0.00 O ATOM 0 H ASP A 89 3.827 14.443 -19.936 1.00 0.00 H new ATOM 0 HA ASP A 89 5.746 14.763 -17.799 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.404 17.053 -18.544 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.067 15.775 -19.543 1.00 0.00 H new