USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 433 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 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -94:sc= 0.777 USER MOD Single : A 23 HIS :FLIP no HD1:sc= -1.53 F(o=-3.9!,f=-1.5) USER MOD Single : A 28 SER OG : rot 180:sc= 0.43 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 138:sc= -7.57! (180deg=-11.4!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= 0.0815 (180deg=0.0541) USER MOD Single : A 48 LYS NZ :NH3+ -151:sc= -0.0157 (180deg=-0.586) USER MOD Single : A 49 SER OG : rot 180:sc= -0.43 USER MOD Single : A 52 THR OG1 : rot 18:sc= 0.862 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 63:sc= 0.635! USER MOD Single : A 61 ASN :FLIP amide:sc= -1.76 F(o=-2.9!,f=-1.8) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 11 16.077 -13.706 -16.309 1.00 0.00 N ATOM 26 CA ASP A 11 17.044 -14.589 -17.023 1.00 0.00 C ATOM 27 C ASP A 11 18.428 -13.937 -17.018 1.00 0.00 C ATOM 28 O ASP A 11 18.558 -12.737 -17.159 1.00 0.00 O ATOM 29 CB ASP A 11 16.580 -14.791 -18.467 1.00 0.00 C ATOM 30 CG ASP A 11 17.483 -15.818 -19.153 1.00 0.00 C ATOM 31 OD1 ASP A 11 18.641 -15.505 -19.375 1.00 0.00 O ATOM 32 OD2 ASP A 11 17.000 -16.900 -19.445 1.00 0.00 O ATOM 0 HA ASP A 11 17.095 -15.555 -16.520 1.00 0.00 H new ATOM 0 HB2 ASP A 11 15.545 -15.132 -18.483 1.00 0.00 H new ATOM 0 HB3 ASP A 11 16.612 -13.844 -19.007 1.00 0.00 H new ATOM 37 N ILE A 12 19.465 -14.714 -16.851 1.00 0.00 N ATOM 38 CA ILE A 12 20.835 -14.128 -16.833 1.00 0.00 C ATOM 39 C ILE A 12 21.542 -14.439 -18.157 1.00 0.00 C ATOM 40 O ILE A 12 21.595 -15.572 -18.595 1.00 0.00 O ATOM 41 CB ILE A 12 21.635 -14.726 -15.670 1.00 0.00 C ATOM 42 CG1 ILE A 12 21.214 -14.066 -14.353 1.00 0.00 C ATOM 43 CG2 ILE A 12 23.129 -14.488 -15.896 1.00 0.00 C ATOM 44 CD1 ILE A 12 19.719 -13.736 -14.389 1.00 0.00 C ATOM 0 H ILE A 12 19.422 -15.726 -16.727 1.00 0.00 H new ATOM 0 HA ILE A 12 20.765 -13.048 -16.705 1.00 0.00 H new ATOM 0 HB ILE A 12 21.438 -15.797 -15.619 1.00 0.00 H new ATOM 0 HG12 ILE A 12 21.428 -14.733 -13.518 1.00 0.00 H new ATOM 0 HG13 ILE A 12 21.792 -13.156 -14.191 1.00 0.00 H new ATOM 0 HG21 ILE A 12 23.695 -14.914 -15.068 1.00 0.00 H new ATOM 0 HG22 ILE A 12 23.436 -14.963 -16.828 1.00 0.00 H new ATOM 0 HG23 ILE A 12 23.322 -13.417 -15.954 1.00 0.00 H new ATOM 0 HD11 ILE A 12 19.427 -13.267 -13.449 1.00 0.00 H new ATOM 0 HD12 ILE A 12 19.517 -13.053 -15.214 1.00 0.00 H new ATOM 0 HD13 ILE A 12 19.147 -14.653 -14.530 1.00 0.00 H new ATOM 56 N VAL A 13 22.082 -13.437 -18.796 1.00 0.00 N ATOM 57 CA VAL A 13 22.783 -13.655 -20.091 1.00 0.00 C ATOM 58 C VAL A 13 24.148 -12.976 -20.031 1.00 0.00 C ATOM 59 O VAL A 13 24.345 -12.037 -19.286 1.00 0.00 O ATOM 60 CB VAL A 13 21.964 -13.026 -21.219 1.00 0.00 C ATOM 61 CG1 VAL A 13 20.919 -14.029 -21.710 1.00 0.00 C ATOM 62 CG2 VAL A 13 21.264 -11.768 -20.703 1.00 0.00 C ATOM 0 H VAL A 13 22.067 -12.470 -18.473 1.00 0.00 H new ATOM 0 HA VAL A 13 22.902 -14.723 -20.274 1.00 0.00 H new ATOM 0 HB VAL A 13 22.626 -12.759 -22.043 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.335 -13.581 -22.514 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.419 -14.924 -22.080 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.257 -14.297 -20.887 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.681 -11.320 -21.508 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.602 -12.032 -19.878 1.00 0.00 H new ATOM 0 HG23 VAL A 13 22.010 -11.053 -20.355 1.00 0.00 H new ATOM 72 N VAL A 14 25.094 -13.422 -20.810 1.00 0.00 N ATOM 73 CA VAL A 14 26.425 -12.760 -20.771 1.00 0.00 C ATOM 74 C VAL A 14 26.667 -12.054 -22.104 1.00 0.00 C ATOM 75 O VAL A 14 26.434 -12.601 -23.163 1.00 0.00 O ATOM 76 CB VAL A 14 27.523 -13.793 -20.510 1.00 0.00 C ATOM 77 CG1 VAL A 14 27.544 -14.815 -21.647 1.00 0.00 C ATOM 78 CG2 VAL A 14 28.879 -13.088 -20.434 1.00 0.00 C ATOM 0 H VAL A 14 25.005 -14.202 -21.461 1.00 0.00 H new ATOM 0 HA VAL A 14 26.446 -12.029 -19.963 1.00 0.00 H new ATOM 0 HB VAL A 14 27.324 -14.303 -19.567 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.326 -15.551 -21.461 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.579 -15.318 -21.702 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.742 -14.306 -22.590 1.00 0.00 H new ATOM 0 HG21 VAL A 14 29.662 -13.824 -20.248 1.00 0.00 H new ATOM 0 HG22 VAL A 14 29.077 -12.578 -21.377 1.00 0.00 H new ATOM 0 HG23 VAL A 14 28.866 -12.360 -19.623 1.00 0.00 H new ATOM 88 N ALA A 15 27.122 -10.834 -22.054 1.00 0.00 N ATOM 89 CA ALA A 15 27.368 -10.071 -23.307 1.00 0.00 C ATOM 90 C ALA A 15 28.370 -10.811 -24.193 1.00 0.00 C ATOM 91 O ALA A 15 29.511 -11.012 -23.827 1.00 0.00 O ATOM 92 CB ALA A 15 27.929 -8.692 -22.956 1.00 0.00 C ATOM 0 H ALA A 15 27.335 -10.330 -21.193 1.00 0.00 H new ATOM 0 HA ALA A 15 26.427 -9.966 -23.847 1.00 0.00 H new ATOM 0 HB1 ALA A 15 28.111 -8.129 -23.872 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.212 -8.154 -22.336 1.00 0.00 H new ATOM 0 HB3 ALA A 15 28.865 -8.808 -22.410 1.00 0.00 H new ATOM 98 N LEU A 16 27.957 -11.189 -25.368 1.00 0.00 N ATOM 99 CA LEU A 16 28.883 -11.886 -26.299 1.00 0.00 C ATOM 100 C LEU A 16 29.542 -10.829 -27.180 1.00 0.00 C ATOM 101 O LEU A 16 30.642 -10.996 -27.668 1.00 0.00 O ATOM 102 CB LEU A 16 28.093 -12.857 -27.178 1.00 0.00 C ATOM 103 CG LEU A 16 27.674 -14.071 -26.348 1.00 0.00 C ATOM 104 CD1 LEU A 16 26.584 -14.843 -27.091 1.00 0.00 C ATOM 105 CD2 LEU A 16 28.885 -14.981 -26.129 1.00 0.00 C ATOM 0 H LEU A 16 27.013 -11.044 -25.725 1.00 0.00 H new ATOM 0 HA LEU A 16 29.634 -12.445 -25.741 1.00 0.00 H new ATOM 0 HB2 LEU A 16 27.212 -12.361 -27.586 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.701 -13.175 -28.025 1.00 0.00 H new ATOM 0 HG LEU A 16 27.291 -13.738 -25.383 1.00 0.00 H new ATOM 0 HD11 LEU A 16 26.284 -15.709 -26.500 1.00 0.00 H new ATOM 0 HD12 LEU A 16 25.722 -14.195 -27.248 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.967 -15.177 -28.055 1.00 0.00 H new ATOM 0 HD21 LEU A 16 28.587 -15.847 -25.537 1.00 0.00 H new ATOM 0 HD22 LEU A 16 29.268 -15.315 -27.093 1.00 0.00 H new ATOM 0 HD23 LEU A 16 29.663 -14.430 -25.600 1.00 0.00 H new ATOM 117 N TYR A 17 28.860 -9.735 -27.376 1.00 0.00 N ATOM 118 CA TYR A 17 29.405 -8.638 -28.216 1.00 0.00 C ATOM 119 C TYR A 17 29.116 -7.299 -27.533 1.00 0.00 C ATOM 120 O TYR A 17 28.058 -7.101 -26.970 1.00 0.00 O ATOM 121 CB TYR A 17 28.715 -8.662 -29.581 1.00 0.00 C ATOM 122 CG TYR A 17 29.515 -9.516 -30.536 1.00 0.00 C ATOM 123 CD1 TYR A 17 29.530 -10.907 -30.387 1.00 0.00 C ATOM 124 CD2 TYR A 17 30.242 -8.914 -31.571 1.00 0.00 C ATOM 125 CE1 TYR A 17 30.272 -11.698 -31.273 1.00 0.00 C ATOM 126 CE2 TYR A 17 30.983 -9.705 -32.456 1.00 0.00 C ATOM 127 CZ TYR A 17 30.999 -11.097 -32.307 1.00 0.00 C ATOM 128 OH TYR A 17 31.731 -11.876 -33.179 1.00 0.00 O ATOM 0 H TYR A 17 27.936 -9.554 -26.983 1.00 0.00 H new ATOM 0 HA TYR A 17 30.480 -8.767 -28.343 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.704 -9.058 -29.482 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.624 -7.649 -29.972 1.00 0.00 H new ATOM 0 HD1 TYR A 17 28.969 -11.371 -29.589 1.00 0.00 H new ATOM 0 HD2 TYR A 17 30.231 -7.840 -31.686 1.00 0.00 H new ATOM 0 HE1 TYR A 17 30.283 -12.772 -31.158 1.00 0.00 H new ATOM 0 HE2 TYR A 17 31.543 -9.241 -33.255 1.00 0.00 H new ATOM 0 HH TYR A 17 32.175 -11.301 -33.837 1.00 0.00 H new ATOM 138 N PRO A 18 30.066 -6.360 -27.595 1.00 0.00 N ATOM 139 CA PRO A 18 29.905 -5.028 -26.994 1.00 0.00 C ATOM 140 C PRO A 18 28.743 -4.259 -27.632 1.00 0.00 C ATOM 141 O PRO A 18 28.513 -4.333 -28.823 1.00 0.00 O ATOM 142 CB PRO A 18 31.241 -4.343 -27.294 1.00 0.00 C ATOM 143 CG PRO A 18 31.764 -5.076 -28.482 1.00 0.00 C ATOM 144 CD PRO A 18 31.371 -6.506 -28.255 1.00 0.00 C ATOM 0 HA PRO A 18 29.672 -5.073 -25.930 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.107 -3.282 -27.507 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.925 -4.414 -26.448 1.00 0.00 H new ATOM 0 HG2 PRO A 18 31.334 -4.690 -29.406 1.00 0.00 H new ATOM 0 HG3 PRO A 18 32.846 -4.972 -28.566 1.00 0.00 H new ATOM 0 HD2 PRO A 18 31.296 -7.062 -29.189 1.00 0.00 H new ATOM 0 HD3 PRO A 18 32.090 -7.032 -27.627 1.00 0.00 H new ATOM 152 N TYR A 19 27.999 -3.530 -26.844 1.00 0.00 N ATOM 153 CA TYR A 19 26.843 -2.767 -27.393 1.00 0.00 C ATOM 154 C TYR A 19 26.872 -1.335 -26.860 1.00 0.00 C ATOM 155 O TYR A 19 26.880 -1.109 -25.667 1.00 0.00 O ATOM 156 CB TYR A 19 25.544 -3.441 -26.945 1.00 0.00 C ATOM 157 CG TYR A 19 24.379 -2.902 -27.746 1.00 0.00 C ATOM 158 CD1 TYR A 19 23.719 -1.736 -27.333 1.00 0.00 C ATOM 159 CD2 TYR A 19 23.954 -3.574 -28.897 1.00 0.00 C ATOM 160 CE1 TYR A 19 22.635 -1.245 -28.072 1.00 0.00 C ATOM 161 CE2 TYR A 19 22.871 -3.083 -29.637 1.00 0.00 C ATOM 162 CZ TYR A 19 22.213 -1.919 -29.224 1.00 0.00 C ATOM 163 OH TYR A 19 21.144 -1.436 -29.953 1.00 0.00 O ATOM 0 H TYR A 19 28.144 -3.430 -25.839 1.00 0.00 H new ATOM 0 HA TYR A 19 26.901 -2.750 -28.481 1.00 0.00 H new ATOM 0 HB2 TYR A 19 25.620 -4.520 -27.079 1.00 0.00 H new ATOM 0 HB3 TYR A 19 25.379 -3.262 -25.882 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.046 -1.216 -26.445 1.00 0.00 H new ATOM 0 HD2 TYR A 19 24.462 -4.473 -29.215 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.126 -0.348 -27.753 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.544 -3.602 -30.526 1.00 0.00 H new ATOM 0 HH TYR A 19 20.321 -1.880 -29.660 1.00 0.00 H new ATOM 173 N ASP A 20 26.876 -0.363 -27.729 1.00 0.00 N ATOM 174 CA ASP A 20 26.890 1.046 -27.254 1.00 0.00 C ATOM 175 C ASP A 20 25.487 1.631 -27.407 1.00 0.00 C ATOM 176 O ASP A 20 25.011 1.844 -28.504 1.00 0.00 O ATOM 177 CB ASP A 20 27.889 1.863 -28.076 1.00 0.00 C ATOM 178 CG ASP A 20 27.760 1.489 -29.554 1.00 0.00 C ATOM 179 OD1 ASP A 20 26.775 1.877 -30.159 1.00 0.00 O ATOM 180 OD2 ASP A 20 28.649 0.820 -30.054 1.00 0.00 O ATOM 0 H ASP A 20 26.870 -0.483 -28.742 1.00 0.00 H new ATOM 0 HA ASP A 20 27.191 1.080 -26.207 1.00 0.00 H new ATOM 0 HB2 ASP A 20 27.701 2.928 -27.942 1.00 0.00 H new ATOM 0 HB3 ASP A 20 28.904 1.672 -27.729 1.00 0.00 H new ATOM 185 N GLY A 21 24.822 1.873 -26.308 1.00 0.00 N ATOM 186 CA GLY A 21 23.438 2.430 -26.355 1.00 0.00 C ATOM 187 C GLY A 21 23.232 3.265 -27.621 1.00 0.00 C ATOM 188 O GLY A 21 23.449 4.461 -27.629 1.00 0.00 O ATOM 0 H GLY A 21 25.183 1.706 -25.369 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.713 1.617 -26.328 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.259 3.046 -25.474 1.00 0.00 H new ATOM 192 N ILE A 22 22.799 2.647 -28.686 1.00 0.00 N ATOM 193 CA ILE A 22 22.563 3.408 -29.943 1.00 0.00 C ATOM 194 C ILE A 22 21.116 3.905 -29.941 1.00 0.00 C ATOM 195 O ILE A 22 20.734 4.756 -30.720 1.00 0.00 O ATOM 196 CB ILE A 22 22.798 2.498 -31.151 1.00 0.00 C ATOM 197 CG1 ILE A 22 24.301 2.298 -31.355 1.00 0.00 C ATOM 198 CG2 ILE A 22 22.198 3.143 -32.403 1.00 0.00 C ATOM 199 CD1 ILE A 22 24.585 0.825 -31.658 1.00 0.00 C ATOM 0 H ILE A 22 22.599 1.648 -28.739 1.00 0.00 H new ATOM 0 HA ILE A 22 23.249 4.253 -30.004 1.00 0.00 H new ATOM 0 HB ILE A 22 22.322 1.533 -30.975 1.00 0.00 H new ATOM 0 HG12 ILE A 22 24.654 2.923 -32.175 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.844 2.608 -30.462 1.00 0.00 H new ATOM 0 HG21 ILE A 22 22.366 2.494 -33.263 1.00 0.00 H new ATOM 0 HG22 ILE A 22 21.127 3.287 -32.261 1.00 0.00 H new ATOM 0 HG23 ILE A 22 22.673 4.108 -32.579 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.656 0.683 -31.803 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.248 0.210 -30.824 1.00 0.00 H new ATOM 0 HD13 ILE A 22 24.054 0.531 -32.563 1.00 0.00 H new ATOM 211 N HIS A 23 20.314 3.375 -29.058 1.00 0.00 N ATOM 212 CA HIS A 23 18.892 3.802 -28.974 1.00 0.00 C ATOM 213 C HIS A 23 18.666 4.506 -27.636 1.00 0.00 C ATOM 214 O HIS A 23 19.545 4.555 -26.798 1.00 0.00 O ATOM 215 CB HIS A 23 17.985 2.573 -29.064 1.00 0.00 C ATOM 216 CG HIS A 23 17.297 2.551 -30.402 1.00 0.00 C ATOM 217 ND1 HIS A 23 16.475 3.456 -31.027 1.00 0.00 N flip ATOM 218 CD2 HIS A 23 17.423 1.484 -31.279 1.00 0.00 C flip ATOM 219 CE1 HIS A 23 16.094 2.962 -32.271 1.00 0.00 C flip ATOM 220 NE2 HIS A 23 16.692 1.771 -32.373 1.00 0.00 N flip ATOM 0 H HIS A 23 20.588 2.658 -28.386 1.00 0.00 H new ATOM 0 HA HIS A 23 18.659 4.482 -29.794 1.00 0.00 H new ATOM 0 HB2 HIS A 23 18.572 1.664 -28.931 1.00 0.00 H new ATOM 0 HB3 HIS A 23 17.245 2.595 -28.264 1.00 0.00 H new ATOM 0 HD2 HIS A 23 18.002 0.587 -31.115 1.00 0.00 H new ATOM 0 HE1 HIS A 23 15.453 3.439 -32.998 1.00 0.00 H new ATOM 0 HE2 HIS A 23 16.605 1.155 -33.181 1.00 0.00 H new ATOM 228 N PRO A 24 17.465 5.060 -27.431 1.00 0.00 N ATOM 229 CA PRO A 24 17.124 5.760 -26.188 1.00 0.00 C ATOM 230 C PRO A 24 16.978 4.794 -25.010 1.00 0.00 C ATOM 231 O PRO A 24 17.265 5.133 -23.879 1.00 0.00 O ATOM 232 CB PRO A 24 15.779 6.414 -26.501 1.00 0.00 C ATOM 233 CG PRO A 24 15.192 5.568 -27.581 1.00 0.00 C ATOM 234 CD PRO A 24 16.347 5.049 -28.390 1.00 0.00 C ATOM 0 HA PRO A 24 17.898 6.469 -25.894 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.135 6.437 -25.622 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.907 7.445 -26.830 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.613 4.746 -27.159 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.512 6.150 -28.204 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.153 4.046 -28.770 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.551 5.683 -29.253 1.00 0.00 H new ATOM 242 N ASP A 25 16.524 3.598 -25.261 1.00 0.00 N ATOM 243 CA ASP A 25 16.350 2.622 -24.148 1.00 0.00 C ATOM 244 C ASP A 25 17.353 1.471 -24.285 1.00 0.00 C ATOM 245 O ASP A 25 17.492 0.656 -23.396 1.00 0.00 O ATOM 246 CB ASP A 25 14.928 2.058 -24.189 1.00 0.00 C ATOM 247 CG ASP A 25 13.923 3.202 -24.040 1.00 0.00 C ATOM 248 OD1 ASP A 25 14.353 4.344 -24.014 1.00 0.00 O ATOM 249 OD2 ASP A 25 12.739 2.917 -23.954 1.00 0.00 O ATOM 0 H ASP A 25 16.266 3.254 -26.186 1.00 0.00 H new ATOM 0 HA ASP A 25 16.524 3.132 -23.201 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.760 1.532 -25.129 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.790 1.331 -23.388 1.00 0.00 H new ATOM 254 N ASP A 26 18.047 1.385 -25.388 1.00 0.00 N ATOM 255 CA ASP A 26 19.025 0.274 -25.562 1.00 0.00 C ATOM 256 C ASP A 26 20.086 0.341 -24.459 1.00 0.00 C ATOM 257 O ASP A 26 20.786 1.325 -24.324 1.00 0.00 O ATOM 258 CB ASP A 26 19.708 0.409 -26.923 1.00 0.00 C ATOM 259 CG ASP A 26 19.119 -0.617 -27.894 1.00 0.00 C ATOM 260 OD1 ASP A 26 18.081 -0.331 -28.469 1.00 0.00 O ATOM 261 OD2 ASP A 26 19.714 -1.672 -28.044 1.00 0.00 O ATOM 0 H ASP A 26 17.979 2.033 -26.173 1.00 0.00 H new ATOM 0 HA ASP A 26 18.500 -0.679 -25.504 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.568 1.417 -27.313 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.782 0.253 -26.820 1.00 0.00 H new ATOM 266 N LEU A 27 20.228 -0.697 -23.680 1.00 0.00 N ATOM 267 CA LEU A 27 21.262 -0.679 -22.605 1.00 0.00 C ATOM 268 C LEU A 27 22.601 -1.099 -23.217 1.00 0.00 C ATOM 269 O LEU A 27 22.670 -2.017 -24.010 1.00 0.00 O ATOM 270 CB LEU A 27 20.841 -1.645 -21.484 1.00 0.00 C ATOM 271 CG LEU A 27 22.053 -2.077 -20.652 1.00 0.00 C ATOM 272 CD1 LEU A 27 22.851 -3.138 -21.414 1.00 0.00 C ATOM 273 CD2 LEU A 27 22.943 -0.865 -20.364 1.00 0.00 C ATOM 0 H LEU A 27 19.676 -1.553 -23.740 1.00 0.00 H new ATOM 0 HA LEU A 27 21.363 0.319 -22.178 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.106 -1.163 -20.840 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.360 -2.522 -21.916 1.00 0.00 H new ATOM 0 HG LEU A 27 21.708 -2.498 -19.708 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.712 -3.443 -20.819 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.217 -4.004 -21.604 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.193 -2.724 -22.362 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.803 -1.178 -19.772 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.287 -0.434 -21.304 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.373 -0.119 -19.810 1.00 0.00 H new ATOM 285 N SER A 28 23.665 -0.423 -22.876 1.00 0.00 N ATOM 286 CA SER A 28 24.995 -0.770 -23.459 1.00 0.00 C ATOM 287 C SER A 28 25.678 -1.863 -22.632 1.00 0.00 C ATOM 288 O SER A 28 25.686 -1.828 -21.418 1.00 0.00 O ATOM 289 CB SER A 28 25.879 0.478 -23.463 1.00 0.00 C ATOM 290 OG SER A 28 25.111 1.601 -23.869 1.00 0.00 O ATOM 0 H SER A 28 23.671 0.356 -22.218 1.00 0.00 H new ATOM 0 HA SER A 28 24.849 -1.137 -24.475 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.292 0.647 -22.469 1.00 0.00 H new ATOM 0 HB3 SER A 28 26.722 0.337 -24.139 1.00 0.00 H new ATOM 0 HG SER A 28 25.677 2.401 -23.870 1.00 0.00 H new ATOM 296 N PHE A 29 26.276 -2.820 -23.290 1.00 0.00 N ATOM 297 CA PHE A 29 26.988 -3.903 -22.554 1.00 0.00 C ATOM 298 C PHE A 29 28.283 -4.234 -23.299 1.00 0.00 C ATOM 299 O PHE A 29 28.365 -4.095 -24.502 1.00 0.00 O ATOM 300 CB PHE A 29 26.105 -5.151 -22.457 1.00 0.00 C ATOM 301 CG PHE A 29 25.419 -5.429 -23.775 1.00 0.00 C ATOM 302 CD1 PHE A 29 24.167 -4.865 -24.046 1.00 0.00 C ATOM 303 CD2 PHE A 29 26.025 -6.271 -24.715 1.00 0.00 C ATOM 304 CE1 PHE A 29 23.520 -5.143 -25.257 1.00 0.00 C ATOM 305 CE2 PHE A 29 25.380 -6.547 -25.928 1.00 0.00 C ATOM 306 CZ PHE A 29 24.127 -5.984 -26.197 1.00 0.00 C ATOM 0 H PHE A 29 26.302 -2.898 -24.307 1.00 0.00 H new ATOM 0 HA PHE A 29 27.217 -3.567 -21.543 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.712 -6.010 -22.170 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.358 -5.013 -21.675 1.00 0.00 H new ATOM 0 HD1 PHE A 29 23.699 -4.215 -23.321 1.00 0.00 H new ATOM 0 HD2 PHE A 29 26.990 -6.708 -24.505 1.00 0.00 H new ATOM 0 HE1 PHE A 29 22.553 -4.709 -25.465 1.00 0.00 H new ATOM 0 HE2 PHE A 29 25.849 -7.194 -26.655 1.00 0.00 H new ATOM 0 HZ PHE A 29 23.628 -6.199 -27.131 1.00 0.00 H new ATOM 316 N LYS A 30 29.301 -4.655 -22.599 1.00 0.00 N ATOM 317 CA LYS A 30 30.586 -4.970 -23.286 1.00 0.00 C ATOM 318 C LYS A 30 30.810 -6.480 -23.293 1.00 0.00 C ATOM 319 O LYS A 30 30.508 -7.164 -22.336 1.00 0.00 O ATOM 320 CB LYS A 30 31.736 -4.294 -22.535 1.00 0.00 C ATOM 321 CG LYS A 30 32.582 -3.482 -23.518 1.00 0.00 C ATOM 322 CD LYS A 30 31.707 -2.426 -24.195 1.00 0.00 C ATOM 323 CE LYS A 30 30.864 -1.707 -23.140 1.00 0.00 C ATOM 324 NZ LYS A 30 30.171 -0.545 -23.763 1.00 0.00 N ATOM 0 H LYS A 30 29.299 -4.794 -21.588 1.00 0.00 H new ATOM 0 HA LYS A 30 30.547 -4.605 -24.312 1.00 0.00 H new ATOM 0 HB2 LYS A 30 31.342 -3.643 -21.755 1.00 0.00 H new ATOM 0 HB3 LYS A 30 32.353 -5.045 -22.042 1.00 0.00 H new ATOM 0 HG2 LYS A 30 33.408 -3.002 -22.993 1.00 0.00 H new ATOM 0 HG3 LYS A 30 33.020 -4.141 -24.267 1.00 0.00 H new ATOM 0 HD2 LYS A 30 32.331 -1.708 -24.727 1.00 0.00 H new ATOM 0 HD3 LYS A 30 31.059 -2.896 -24.935 1.00 0.00 H new ATOM 0 HE2 LYS A 30 30.133 -2.394 -22.714 1.00 0.00 H new ATOM 0 HE3 LYS A 30 31.499 -1.369 -22.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.598 -0.057 -23.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 30.877 0.114 -24.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 29.553 -0.880 -24.530 1.00 0.00 H new ATOM 338 N LYS A 31 31.351 -7.010 -24.358 1.00 0.00 N ATOM 339 CA LYS A 31 31.599 -8.476 -24.395 1.00 0.00 C ATOM 340 C LYS A 31 32.216 -8.895 -23.062 1.00 0.00 C ATOM 341 O LYS A 31 32.875 -8.119 -22.401 1.00 0.00 O ATOM 342 CB LYS A 31 32.561 -8.824 -25.529 1.00 0.00 C ATOM 343 CG LYS A 31 33.824 -7.967 -25.406 1.00 0.00 C ATOM 344 CD LYS A 31 35.057 -8.831 -25.677 1.00 0.00 C ATOM 345 CE LYS A 31 36.237 -8.302 -24.859 1.00 0.00 C ATOM 346 NZ LYS A 31 37.512 -8.803 -25.447 1.00 0.00 N ATOM 0 H LYS A 31 31.628 -6.496 -25.194 1.00 0.00 H new ATOM 0 HA LYS A 31 30.658 -9.001 -24.563 1.00 0.00 H new ATOM 0 HB2 LYS A 31 32.821 -9.882 -25.489 1.00 0.00 H new ATOM 0 HB3 LYS A 31 32.083 -8.650 -26.493 1.00 0.00 H new ATOM 0 HG2 LYS A 31 33.785 -7.139 -26.114 1.00 0.00 H new ATOM 0 HG3 LYS A 31 33.885 -7.531 -24.409 1.00 0.00 H new ATOM 0 HD2 LYS A 31 34.853 -9.869 -25.413 1.00 0.00 H new ATOM 0 HD3 LYS A 31 35.300 -8.815 -26.739 1.00 0.00 H new ATOM 0 HE2 LYS A 31 36.230 -7.212 -24.853 1.00 0.00 H new ATOM 0 HE3 LYS A 31 36.150 -8.627 -23.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 38.315 -8.444 -24.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 37.517 -9.843 -25.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 37.595 -8.472 -26.429 1.00 0.00 H new ATOM 360 N GLY A 32 31.997 -10.113 -22.655 1.00 0.00 N ATOM 361 CA GLY A 32 32.562 -10.576 -21.356 1.00 0.00 C ATOM 362 C GLY A 32 31.705 -10.046 -20.198 1.00 0.00 C ATOM 363 O GLY A 32 31.790 -10.524 -19.085 1.00 0.00 O ATOM 0 H GLY A 32 31.452 -10.808 -23.164 1.00 0.00 H new ATOM 0 HA2 GLY A 32 32.592 -11.665 -21.330 1.00 0.00 H new ATOM 0 HA3 GLY A 32 33.589 -10.226 -21.250 1.00 0.00 H new ATOM 367 N GLU A 33 30.880 -9.062 -20.449 1.00 0.00 N ATOM 368 CA GLU A 33 30.023 -8.503 -19.362 1.00 0.00 C ATOM 369 C GLU A 33 28.770 -9.367 -19.189 1.00 0.00 C ATOM 370 O GLU A 33 28.303 -9.998 -20.116 1.00 0.00 O ATOM 371 CB GLU A 33 29.616 -7.070 -19.710 1.00 0.00 C ATOM 372 CG GLU A 33 29.456 -6.262 -18.422 1.00 0.00 C ATOM 373 CD GLU A 33 30.797 -6.201 -17.690 1.00 0.00 C ATOM 374 OE1 GLU A 33 31.814 -6.140 -18.361 1.00 0.00 O ATOM 375 OE2 GLU A 33 30.786 -6.218 -16.469 1.00 0.00 O ATOM 0 H GLU A 33 30.763 -8.621 -21.361 1.00 0.00 H new ATOM 0 HA GLU A 33 30.587 -8.501 -18.429 1.00 0.00 H new ATOM 0 HB2 GLU A 33 30.370 -6.611 -20.349 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.681 -7.071 -20.270 1.00 0.00 H new ATOM 0 HG2 GLU A 33 29.109 -5.255 -18.652 1.00 0.00 H new ATOM 0 HG3 GLU A 33 28.701 -6.721 -17.783 1.00 0.00 H new ATOM 382 N LYS A 34 28.227 -9.399 -17.999 1.00 0.00 N ATOM 383 CA LYS A 34 27.007 -10.219 -17.743 1.00 0.00 C ATOM 384 C LYS A 34 25.789 -9.304 -17.627 1.00 0.00 C ATOM 385 O LYS A 34 25.877 -8.187 -17.157 1.00 0.00 O ATOM 386 CB LYS A 34 27.182 -11.001 -16.439 1.00 0.00 C ATOM 387 CG LYS A 34 27.341 -12.489 -16.755 1.00 0.00 C ATOM 388 CD LYS A 34 28.540 -13.048 -15.985 1.00 0.00 C ATOM 389 CE LYS A 34 28.852 -14.461 -16.482 1.00 0.00 C ATOM 390 NZ LYS A 34 30.321 -14.703 -16.405 1.00 0.00 N ATOM 0 H LYS A 34 28.579 -8.889 -17.189 1.00 0.00 H new ATOM 0 HA LYS A 34 26.860 -10.915 -18.569 1.00 0.00 H new ATOM 0 HB2 LYS A 34 28.056 -10.637 -15.899 1.00 0.00 H new ATOM 0 HB3 LYS A 34 26.320 -10.846 -15.791 1.00 0.00 H new ATOM 0 HG2 LYS A 34 26.435 -13.029 -16.480 1.00 0.00 H new ATOM 0 HG3 LYS A 34 27.485 -12.631 -17.826 1.00 0.00 H new ATOM 0 HD2 LYS A 34 29.407 -12.403 -16.123 1.00 0.00 H new ATOM 0 HD3 LYS A 34 28.323 -13.066 -14.917 1.00 0.00 H new ATOM 0 HE2 LYS A 34 28.320 -15.196 -15.878 1.00 0.00 H new ATOM 0 HE3 LYS A 34 28.506 -14.581 -17.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 30.533 -15.664 -16.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 30.819 -14.009 -16.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 30.638 -14.605 -15.419 1.00 0.00 H new ATOM 404 N MET A 35 24.658 -9.771 -18.065 1.00 0.00 N ATOM 405 CA MET A 35 23.422 -8.945 -18.004 1.00 0.00 C ATOM 406 C MET A 35 22.240 -9.801 -17.562 1.00 0.00 C ATOM 407 O MET A 35 22.204 -10.997 -17.771 1.00 0.00 O ATOM 408 CB MET A 35 23.125 -8.387 -19.393 1.00 0.00 C ATOM 409 CG MET A 35 23.958 -7.124 -19.616 1.00 0.00 C ATOM 410 SD MET A 35 25.250 -7.465 -20.836 1.00 0.00 S ATOM 411 CE MET A 35 24.194 -8.268 -22.067 1.00 0.00 C ATOM 0 H MET A 35 24.534 -10.700 -18.467 1.00 0.00 H new ATOM 0 HA MET A 35 23.572 -8.135 -17.290 1.00 0.00 H new ATOM 0 HB2 MET A 35 23.359 -9.131 -20.155 1.00 0.00 H new ATOM 0 HB3 MET A 35 22.063 -8.158 -19.487 1.00 0.00 H new ATOM 0 HG2 MET A 35 23.320 -6.311 -19.963 1.00 0.00 H new ATOM 0 HG3 MET A 35 24.406 -6.800 -18.677 1.00 0.00 H new ATOM 0 HE1 MET A 35 24.469 -7.922 -23.063 1.00 0.00 H new ATOM 0 HE2 MET A 35 24.324 -9.349 -22.009 1.00 0.00 H new ATOM 0 HE3 MET A 35 23.151 -8.017 -21.871 1.00 0.00 H new ATOM 421 N LYS A 36 21.265 -9.179 -16.969 1.00 0.00 N ATOM 422 CA LYS A 36 20.057 -9.918 -16.519 1.00 0.00 C ATOM 423 C LYS A 36 18.844 -9.279 -17.187 1.00 0.00 C ATOM 424 O LYS A 36 18.755 -8.072 -17.290 1.00 0.00 O ATOM 425 CB LYS A 36 19.922 -9.809 -14.999 1.00 0.00 C ATOM 426 CG LYS A 36 21.025 -10.631 -14.330 1.00 0.00 C ATOM 427 CD LYS A 36 21.058 -10.319 -12.833 1.00 0.00 C ATOM 428 CE LYS A 36 19.749 -10.775 -12.188 1.00 0.00 C ATOM 429 NZ LYS A 36 19.039 -9.596 -11.617 1.00 0.00 N ATOM 0 H LYS A 36 21.253 -8.178 -16.774 1.00 0.00 H new ATOM 0 HA LYS A 36 20.132 -10.971 -16.789 1.00 0.00 H new ATOM 0 HB2 LYS A 36 19.993 -8.766 -14.691 1.00 0.00 H new ATOM 0 HB3 LYS A 36 18.943 -10.169 -14.683 1.00 0.00 H new ATOM 0 HG2 LYS A 36 20.846 -11.695 -14.487 1.00 0.00 H new ATOM 0 HG3 LYS A 36 21.990 -10.400 -14.782 1.00 0.00 H new ATOM 0 HD2 LYS A 36 21.902 -10.824 -12.364 1.00 0.00 H new ATOM 0 HD3 LYS A 36 21.200 -9.250 -12.677 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.119 -11.269 -12.928 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.952 -11.505 -11.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.149 -9.906 -11.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 19.640 -9.143 -10.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.832 -8.915 -12.375 1.00 0.00 H new ATOM 443 N VAL A 37 17.911 -10.057 -17.656 1.00 0.00 N ATOM 444 CA VAL A 37 16.735 -9.434 -18.318 1.00 0.00 C ATOM 445 C VAL A 37 15.668 -9.128 -17.268 1.00 0.00 C ATOM 446 O VAL A 37 15.612 -9.747 -16.224 1.00 0.00 O ATOM 447 CB VAL A 37 16.174 -10.367 -19.393 1.00 0.00 C ATOM 448 CG1 VAL A 37 15.382 -9.550 -20.415 1.00 0.00 C ATOM 449 CG2 VAL A 37 17.329 -11.084 -20.098 1.00 0.00 C ATOM 0 H VAL A 37 17.910 -11.076 -17.612 1.00 0.00 H new ATOM 0 HA VAL A 37 17.042 -8.506 -18.800 1.00 0.00 H new ATOM 0 HB VAL A 37 15.517 -11.103 -18.929 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.982 -10.215 -21.181 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.560 -9.038 -19.914 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.038 -8.814 -20.880 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.931 -11.749 -20.864 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.985 -10.348 -20.562 1.00 0.00 H new ATOM 0 HG23 VAL A 37 17.894 -11.666 -19.370 1.00 0.00 H new ATOM 459 N LEU A 38 14.818 -8.178 -17.538 1.00 0.00 N ATOM 460 CA LEU A 38 13.749 -7.831 -16.557 1.00 0.00 C ATOM 461 C LEU A 38 12.382 -7.974 -17.227 1.00 0.00 C ATOM 462 O LEU A 38 11.357 -7.985 -16.574 1.00 0.00 O ATOM 463 CB LEU A 38 13.938 -6.387 -16.084 1.00 0.00 C ATOM 464 CG LEU A 38 15.431 -6.053 -16.043 1.00 0.00 C ATOM 465 CD1 LEU A 38 15.612 -4.546 -15.855 1.00 0.00 C ATOM 466 CD2 LEU A 38 16.088 -6.795 -14.878 1.00 0.00 C ATOM 0 H LEU A 38 14.816 -7.626 -18.395 1.00 0.00 H new ATOM 0 HA LEU A 38 13.808 -8.503 -15.700 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.420 -5.703 -16.756 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.498 -6.257 -15.095 1.00 0.00 H new ATOM 0 HG LEU A 38 15.898 -6.361 -16.979 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.675 -4.308 -15.826 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.144 -4.017 -16.685 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.145 -4.237 -14.920 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.151 -6.557 -14.849 1.00 0.00 H new ATOM 0 HD22 LEU A 38 15.622 -6.488 -13.942 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.960 -7.869 -15.012 1.00 0.00 H new ATOM 478 N GLU A 39 12.361 -8.089 -18.525 1.00 0.00 N ATOM 479 CA GLU A 39 11.066 -8.237 -19.244 1.00 0.00 C ATOM 480 C GLU A 39 11.325 -8.860 -20.615 1.00 0.00 C ATOM 481 O GLU A 39 12.276 -8.518 -21.288 1.00 0.00 O ATOM 482 CB GLU A 39 10.417 -6.862 -19.419 1.00 0.00 C ATOM 483 CG GLU A 39 10.215 -6.216 -18.047 1.00 0.00 C ATOM 484 CD GLU A 39 9.384 -4.940 -18.202 1.00 0.00 C ATOM 485 OE1 GLU A 39 8.185 -5.059 -18.397 1.00 0.00 O ATOM 486 OE2 GLU A 39 9.960 -3.868 -18.121 1.00 0.00 O ATOM 0 H GLU A 39 13.189 -8.087 -19.121 1.00 0.00 H new ATOM 0 HA GLU A 39 10.397 -8.878 -18.670 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.047 -6.227 -20.043 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.460 -6.962 -19.930 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.711 -6.912 -17.376 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.180 -5.982 -17.598 1.00 0.00 H new ATOM 493 N GLU A 40 10.490 -9.768 -21.037 1.00 0.00 N ATOM 494 CA GLU A 40 10.696 -10.405 -22.367 1.00 0.00 C ATOM 495 C GLU A 40 9.664 -9.860 -23.356 1.00 0.00 C ATOM 496 O GLU A 40 8.488 -9.783 -23.065 1.00 0.00 O ATOM 497 CB GLU A 40 10.539 -11.923 -22.241 1.00 0.00 C ATOM 498 CG GLU A 40 10.228 -12.526 -23.614 1.00 0.00 C ATOM 499 CD GLU A 40 10.142 -14.049 -23.496 1.00 0.00 C ATOM 500 OE1 GLU A 40 11.098 -14.641 -23.023 1.00 0.00 O ATOM 501 OE2 GLU A 40 9.121 -14.596 -23.879 1.00 0.00 O ATOM 0 H GLU A 40 9.675 -10.096 -20.519 1.00 0.00 H new ATOM 0 HA GLU A 40 11.699 -10.178 -22.728 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.453 -12.361 -21.840 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.738 -12.158 -21.540 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.288 -12.127 -23.994 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.003 -12.249 -24.328 1.00 0.00 H new ATOM 508 N HIS A 41 10.102 -9.480 -24.523 1.00 0.00 N ATOM 509 CA HIS A 41 9.160 -8.936 -25.537 1.00 0.00 C ATOM 510 C HIS A 41 9.242 -9.783 -26.809 1.00 0.00 C ATOM 511 O HIS A 41 9.110 -9.283 -27.909 1.00 0.00 O ATOM 512 CB HIS A 41 9.550 -7.494 -25.858 1.00 0.00 C ATOM 513 CG HIS A 41 8.994 -6.579 -24.803 1.00 0.00 C ATOM 514 ND1 HIS A 41 7.763 -5.957 -24.937 1.00 0.00 N ATOM 515 CD2 HIS A 41 9.490 -6.172 -23.588 1.00 0.00 C ATOM 516 CE1 HIS A 41 7.561 -5.216 -23.831 1.00 0.00 C ATOM 517 NE2 HIS A 41 8.583 -5.311 -22.977 1.00 0.00 N ATOM 0 H HIS A 41 11.077 -9.523 -24.819 1.00 0.00 H new ATOM 0 HA HIS A 41 8.142 -8.962 -25.149 1.00 0.00 H new ATOM 0 HB2 HIS A 41 10.635 -7.400 -25.901 1.00 0.00 H new ATOM 0 HB3 HIS A 41 9.167 -7.212 -26.839 1.00 0.00 H new ATOM 0 HD2 HIS A 41 10.439 -6.474 -23.171 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.679 -4.617 -23.656 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.679 -4.851 -22.071 1.00 0.00 H new ATOM 525 N GLY A 42 9.465 -11.061 -26.668 1.00 0.00 N ATOM 526 CA GLY A 42 9.558 -11.936 -27.870 1.00 0.00 C ATOM 527 C GLY A 42 11.025 -12.091 -28.275 1.00 0.00 C ATOM 528 O GLY A 42 11.818 -12.676 -27.563 1.00 0.00 O ATOM 0 H GLY A 42 9.587 -11.536 -25.774 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.123 -12.913 -27.657 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.986 -11.505 -28.692 1.00 0.00 H new ATOM 532 N GLU A 43 11.394 -11.571 -29.414 1.00 0.00 N ATOM 533 CA GLU A 43 12.810 -11.691 -29.864 1.00 0.00 C ATOM 534 C GLU A 43 13.650 -10.589 -29.215 1.00 0.00 C ATOM 535 O GLU A 43 14.859 -10.561 -29.342 1.00 0.00 O ATOM 536 CB GLU A 43 12.874 -11.552 -31.386 1.00 0.00 C ATOM 537 CG GLU A 43 11.629 -12.186 -32.009 1.00 0.00 C ATOM 538 CD GLU A 43 11.809 -12.280 -33.526 1.00 0.00 C ATOM 539 OE1 GLU A 43 12.223 -11.295 -34.116 1.00 0.00 O ATOM 540 OE2 GLU A 43 11.531 -13.335 -34.072 1.00 0.00 O ATOM 0 H GLU A 43 10.777 -11.069 -30.052 1.00 0.00 H new ATOM 0 HA GLU A 43 13.202 -12.665 -29.570 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.937 -10.500 -31.663 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.772 -12.037 -31.769 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.465 -13.178 -31.589 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.747 -11.590 -31.773 1.00 0.00 H new ATOM 547 N TRP A 44 13.023 -9.678 -28.523 1.00 0.00 N ATOM 548 CA TRP A 44 13.789 -8.580 -27.868 1.00 0.00 C ATOM 549 C TRP A 44 13.361 -8.464 -26.404 1.00 0.00 C ATOM 550 O TRP A 44 12.224 -8.715 -26.058 1.00 0.00 O ATOM 551 CB TRP A 44 13.502 -7.259 -28.587 1.00 0.00 C ATOM 552 CG TRP A 44 14.269 -7.212 -29.871 1.00 0.00 C ATOM 553 CD1 TRP A 44 14.004 -7.967 -30.963 1.00 0.00 C ATOM 554 CD2 TRP A 44 15.413 -6.379 -30.217 1.00 0.00 C ATOM 555 NE1 TRP A 44 14.914 -7.651 -31.956 1.00 0.00 N ATOM 556 CE2 TRP A 44 15.802 -6.677 -31.545 1.00 0.00 C ATOM 557 CE3 TRP A 44 16.143 -5.403 -29.515 1.00 0.00 C ATOM 558 CZ2 TRP A 44 16.879 -6.030 -32.154 1.00 0.00 C ATOM 559 CZ3 TRP A 44 17.227 -4.751 -30.125 1.00 0.00 C ATOM 560 CH2 TRP A 44 17.594 -5.064 -31.441 1.00 0.00 C ATOM 0 H TRP A 44 12.013 -9.646 -28.383 1.00 0.00 H new ATOM 0 HA TRP A 44 14.855 -8.799 -27.920 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.434 -7.165 -28.785 1.00 0.00 H new ATOM 0 HB3 TRP A 44 13.783 -6.419 -27.952 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.212 -8.697 -31.045 1.00 0.00 H new ATOM 0 HE1 TRP A 44 14.927 -8.085 -32.879 1.00 0.00 H new ATOM 0 HE3 TRP A 44 15.868 -5.153 -28.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 17.157 -6.274 -33.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 17.781 -4.004 -29.577 1.00 0.00 H new ATOM 0 HH2 TRP A 44 18.429 -4.559 -31.904 1.00 0.00 H new ATOM 571 N TRP A 45 14.260 -8.076 -25.540 1.00 0.00 N ATOM 572 CA TRP A 45 13.892 -7.939 -24.101 1.00 0.00 C ATOM 573 C TRP A 45 14.677 -6.793 -23.466 1.00 0.00 C ATOM 574 O TRP A 45 15.579 -6.236 -24.060 1.00 0.00 O ATOM 575 CB TRP A 45 14.213 -9.231 -23.341 1.00 0.00 C ATOM 576 CG TRP A 45 14.391 -10.370 -24.290 1.00 0.00 C ATOM 577 CD1 TRP A 45 13.423 -10.884 -25.083 1.00 0.00 C ATOM 578 CD2 TRP A 45 15.591 -11.153 -24.547 1.00 0.00 C ATOM 579 NE1 TRP A 45 13.955 -11.933 -25.811 1.00 0.00 N ATOM 580 CE2 TRP A 45 15.289 -12.138 -25.515 1.00 0.00 C ATOM 581 CE3 TRP A 45 16.901 -11.103 -24.037 1.00 0.00 C ATOM 582 CZ2 TRP A 45 16.253 -13.042 -25.962 1.00 0.00 C ATOM 583 CZ3 TRP A 45 17.874 -12.011 -24.485 1.00 0.00 C ATOM 584 CH2 TRP A 45 17.550 -12.979 -25.446 1.00 0.00 C ATOM 0 H TRP A 45 15.228 -7.849 -25.766 1.00 0.00 H new ATOM 0 HA TRP A 45 12.823 -7.736 -24.042 1.00 0.00 H new ATOM 0 HB2 TRP A 45 15.120 -9.097 -22.752 1.00 0.00 H new ATOM 0 HB3 TRP A 45 13.409 -9.457 -22.641 1.00 0.00 H new ATOM 0 HD1 TRP A 45 12.403 -10.533 -25.139 1.00 0.00 H new ATOM 0 HE1 TRP A 45 13.427 -12.488 -26.484 1.00 0.00 H new ATOM 0 HE3 TRP A 45 17.160 -10.361 -23.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 15.998 -13.786 -26.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 18.877 -11.963 -24.087 1.00 0.00 H new ATOM 0 HH2 TRP A 45 18.302 -13.675 -25.787 1.00 0.00 H new ATOM 595 N LYS A 46 14.346 -6.448 -22.253 1.00 0.00 N ATOM 596 CA LYS A 46 15.075 -5.352 -21.558 1.00 0.00 C ATOM 597 C LYS A 46 15.878 -5.956 -20.406 1.00 0.00 C ATOM 598 O LYS A 46 15.359 -6.700 -19.598 1.00 0.00 O ATOM 599 CB LYS A 46 14.070 -4.339 -21.014 1.00 0.00 C ATOM 600 CG LYS A 46 14.651 -2.929 -21.117 1.00 0.00 C ATOM 601 CD LYS A 46 13.577 -1.905 -20.741 1.00 0.00 C ATOM 602 CE LYS A 46 14.046 -1.097 -19.531 1.00 0.00 C ATOM 603 NZ LYS A 46 12.872 -0.451 -18.878 1.00 0.00 N ATOM 0 H LYS A 46 13.598 -6.881 -21.711 1.00 0.00 H new ATOM 0 HA LYS A 46 15.747 -4.847 -22.252 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.138 -4.400 -21.575 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.833 -4.570 -19.975 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.511 -2.829 -20.455 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.006 -2.744 -22.131 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.382 -1.240 -21.583 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.640 -2.412 -20.512 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.557 -1.748 -18.822 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.765 -0.339 -19.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.150 -0.089 -17.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.536 0.336 -19.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.109 -1.149 -18.766 1.00 0.00 H new ATOM 617 N ALA A 47 17.143 -5.661 -20.333 1.00 0.00 N ATOM 618 CA ALA A 47 17.980 -6.238 -19.245 1.00 0.00 C ATOM 619 C ALA A 47 18.616 -5.127 -18.413 1.00 0.00 C ATOM 620 O ALA A 47 18.333 -3.958 -18.583 1.00 0.00 O ATOM 621 CB ALA A 47 19.084 -7.099 -19.861 1.00 0.00 C ATOM 0 H ALA A 47 17.635 -5.045 -20.980 1.00 0.00 H new ATOM 0 HA ALA A 47 17.347 -6.845 -18.598 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.699 -7.524 -19.068 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.635 -7.904 -20.443 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.705 -6.484 -20.512 1.00 0.00 H new ATOM 627 N LYS A 48 19.481 -5.501 -17.512 1.00 0.00 N ATOM 628 CA LYS A 48 20.162 -4.494 -16.650 1.00 0.00 C ATOM 629 C LYS A 48 21.645 -4.854 -16.540 1.00 0.00 C ATOM 630 O LYS A 48 22.011 -6.014 -16.556 1.00 0.00 O ATOM 631 CB LYS A 48 19.526 -4.505 -15.258 1.00 0.00 C ATOM 632 CG LYS A 48 19.928 -3.237 -14.501 1.00 0.00 C ATOM 633 CD LYS A 48 19.263 -3.235 -13.123 1.00 0.00 C ATOM 634 CE LYS A 48 19.973 -4.237 -12.211 1.00 0.00 C ATOM 635 NZ LYS A 48 19.821 -3.813 -10.791 1.00 0.00 N ATOM 0 H LYS A 48 19.748 -6.469 -17.334 1.00 0.00 H new ATOM 0 HA LYS A 48 20.057 -3.501 -17.086 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.441 -4.561 -15.343 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.849 -5.388 -14.706 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.012 -3.192 -14.394 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.627 -2.353 -15.064 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.307 -2.237 -12.688 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.209 -3.496 -13.216 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.553 -5.233 -12.351 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.030 -4.297 -12.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.639 -4.143 -10.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.767 -2.776 -10.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.951 -4.224 -10.397 1.00 0.00 H new ATOM 649 N SER A 49 22.506 -3.876 -16.441 1.00 0.00 N ATOM 650 CA SER A 49 23.962 -4.181 -16.344 1.00 0.00 C ATOM 651 C SER A 49 24.336 -4.423 -14.882 1.00 0.00 C ATOM 652 O SER A 49 24.095 -3.594 -14.027 1.00 0.00 O ATOM 653 CB SER A 49 24.769 -2.999 -16.887 1.00 0.00 C ATOM 654 OG SER A 49 25.680 -3.461 -17.874 1.00 0.00 O ATOM 0 H SER A 49 22.265 -2.885 -16.423 1.00 0.00 H new ATOM 0 HA SER A 49 24.185 -5.073 -16.929 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.099 -2.254 -17.316 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.311 -2.512 -16.076 1.00 0.00 H new ATOM 0 HG SER A 49 26.196 -2.704 -18.223 1.00 0.00 H new ATOM 660 N LEU A 50 24.919 -5.550 -14.581 1.00 0.00 N ATOM 661 CA LEU A 50 25.298 -5.826 -13.167 1.00 0.00 C ATOM 662 C LEU A 50 26.429 -4.882 -12.750 1.00 0.00 C ATOM 663 O LEU A 50 26.785 -4.794 -11.592 1.00 0.00 O ATOM 664 CB LEU A 50 25.766 -7.277 -13.034 1.00 0.00 C ATOM 665 CG LEU A 50 25.184 -7.884 -11.754 1.00 0.00 C ATOM 666 CD1 LEU A 50 23.795 -8.456 -12.047 1.00 0.00 C ATOM 667 CD2 LEU A 50 26.102 -9.001 -11.256 1.00 0.00 C ATOM 0 H LEU A 50 25.148 -6.287 -15.248 1.00 0.00 H new ATOM 0 HA LEU A 50 24.434 -5.666 -12.522 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.447 -7.855 -13.901 1.00 0.00 H new ATOM 0 HB3 LEU A 50 26.855 -7.318 -13.007 1.00 0.00 H new ATOM 0 HG LEU A 50 25.105 -7.112 -10.989 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.380 -8.888 -11.136 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.141 -7.659 -12.401 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.874 -9.228 -12.812 1.00 0.00 H new ATOM 0 HD21 LEU A 50 25.688 -9.433 -10.345 1.00 0.00 H new ATOM 0 HD22 LEU A 50 26.182 -9.774 -12.020 1.00 0.00 H new ATOM 0 HD23 LEU A 50 27.091 -8.593 -11.047 1.00 0.00 H new ATOM 679 N LEU A 51 26.997 -4.176 -13.692 1.00 0.00 N ATOM 680 CA LEU A 51 28.108 -3.238 -13.359 1.00 0.00 C ATOM 681 C LEU A 51 27.541 -1.869 -12.982 1.00 0.00 C ATOM 682 O LEU A 51 27.848 -1.326 -11.938 1.00 0.00 O ATOM 683 CB LEU A 51 29.040 -3.089 -14.568 1.00 0.00 C ATOM 684 CG LEU A 51 28.221 -3.060 -15.862 1.00 0.00 C ATOM 685 CD1 LEU A 51 28.700 -1.903 -16.741 1.00 0.00 C ATOM 686 CD2 LEU A 51 28.408 -4.380 -16.612 1.00 0.00 C ATOM 0 H LEU A 51 26.739 -4.209 -14.678 1.00 0.00 H new ATOM 0 HA LEU A 51 28.669 -3.639 -12.515 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.623 -2.173 -14.477 1.00 0.00 H new ATOM 0 HB3 LEU A 51 29.749 -3.917 -14.595 1.00 0.00 H new ATOM 0 HG LEU A 51 27.166 -2.923 -15.623 1.00 0.00 H new ATOM 0 HD11 LEU A 51 28.118 -1.881 -17.662 1.00 0.00 H new ATOM 0 HD12 LEU A 51 28.569 -0.962 -16.207 1.00 0.00 H new ATOM 0 HD13 LEU A 51 29.754 -2.041 -16.981 1.00 0.00 H new ATOM 0 HD21 LEU A 51 27.826 -4.361 -17.533 1.00 0.00 H new ATOM 0 HD22 LEU A 51 29.463 -4.516 -16.852 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.069 -5.205 -15.986 1.00 0.00 H new ATOM 698 N THR A 52 26.720 -1.305 -13.820 1.00 0.00 N ATOM 699 CA THR A 52 26.138 0.031 -13.508 1.00 0.00 C ATOM 700 C THR A 52 24.646 -0.117 -13.210 1.00 0.00 C ATOM 701 O THR A 52 23.930 0.856 -13.083 1.00 0.00 O ATOM 702 CB THR A 52 26.328 0.963 -14.708 1.00 0.00 C ATOM 703 OG1 THR A 52 25.396 2.031 -14.628 1.00 0.00 O ATOM 704 CG2 THR A 52 26.102 0.181 -16.004 1.00 0.00 C ATOM 0 H THR A 52 26.426 -1.710 -14.709 1.00 0.00 H new ATOM 0 HA THR A 52 26.641 0.451 -12.637 1.00 0.00 H new ATOM 0 HB THR A 52 27.341 1.364 -14.701 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.049 2.095 -13.714 1.00 0.00 H new ATOM 0 HG21 THR A 52 26.237 0.845 -16.858 1.00 0.00 H new ATOM 0 HG22 THR A 52 26.818 -0.638 -16.064 1.00 0.00 H new ATOM 0 HG23 THR A 52 25.089 -0.221 -16.014 1.00 0.00 H new ATOM 712 N LYS A 53 24.172 -1.327 -13.095 1.00 0.00 N ATOM 713 CA LYS A 53 22.727 -1.537 -12.803 1.00 0.00 C ATOM 714 C LYS A 53 21.879 -0.727 -13.783 1.00 0.00 C ATOM 715 O LYS A 53 20.757 -0.363 -13.493 1.00 0.00 O ATOM 716 CB LYS A 53 22.424 -1.086 -11.372 1.00 0.00 C ATOM 717 CG LYS A 53 23.523 -1.589 -10.436 1.00 0.00 C ATOM 718 CD LYS A 53 24.641 -0.549 -10.355 1.00 0.00 C ATOM 719 CE LYS A 53 25.131 -0.437 -8.910 1.00 0.00 C ATOM 720 NZ LYS A 53 24.779 0.906 -8.369 1.00 0.00 N ATOM 0 H LYS A 53 24.724 -2.180 -13.191 1.00 0.00 H new ATOM 0 HA LYS A 53 22.489 -2.595 -12.910 1.00 0.00 H new ATOM 0 HB2 LYS A 53 22.363 0.001 -11.327 1.00 0.00 H new ATOM 0 HB3 LYS A 53 21.456 -1.473 -11.055 1.00 0.00 H new ATOM 0 HG2 LYS A 53 23.113 -1.775 -9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 53 23.919 -2.537 -10.800 1.00 0.00 H new ATOM 0 HD2 LYS A 53 25.465 -0.834 -11.009 1.00 0.00 H new ATOM 0 HD3 LYS A 53 24.278 0.418 -10.703 1.00 0.00 H new ATOM 0 HE2 LYS A 53 24.677 -1.217 -8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 53 26.210 -0.587 -8.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 25.112 0.983 -7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 25.232 1.643 -8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 23.747 1.031 -8.396 1.00 0.00 H new ATOM 734 N LYS A 54 22.396 -0.458 -14.950 1.00 0.00 N ATOM 735 CA LYS A 54 21.605 0.309 -15.949 1.00 0.00 C ATOM 736 C LYS A 54 20.706 -0.671 -16.701 1.00 0.00 C ATOM 737 O LYS A 54 21.100 -1.781 -16.991 1.00 0.00 O ATOM 738 CB LYS A 54 22.553 1.000 -16.933 1.00 0.00 C ATOM 739 CG LYS A 54 21.817 2.147 -17.630 1.00 0.00 C ATOM 740 CD LYS A 54 22.050 3.447 -16.857 1.00 0.00 C ATOM 741 CE LYS A 54 22.079 4.624 -17.835 1.00 0.00 C ATOM 742 NZ LYS A 54 22.557 5.846 -17.129 1.00 0.00 N ATOM 0 H LYS A 54 23.329 -0.736 -15.253 1.00 0.00 H new ATOM 0 HA LYS A 54 21.001 1.067 -15.451 1.00 0.00 H new ATOM 0 HB2 LYS A 54 23.427 1.382 -16.405 1.00 0.00 H new ATOM 0 HB3 LYS A 54 22.914 0.284 -17.671 1.00 0.00 H new ATOM 0 HG2 LYS A 54 22.173 2.252 -18.655 1.00 0.00 H new ATOM 0 HG3 LYS A 54 20.750 1.929 -17.684 1.00 0.00 H new ATOM 0 HD2 LYS A 54 21.259 3.592 -16.121 1.00 0.00 H new ATOM 0 HD3 LYS A 54 22.990 3.393 -16.308 1.00 0.00 H new ATOM 0 HE2 LYS A 54 22.735 4.396 -18.675 1.00 0.00 H new ATOM 0 HE3 LYS A 54 21.084 4.794 -18.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 22.577 6.646 -17.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 21.914 6.066 -16.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 23.514 5.681 -16.758 1.00 0.00 H new ATOM 756 N GLU A 55 19.503 -0.282 -17.018 1.00 0.00 N ATOM 757 CA GLU A 55 18.601 -1.216 -17.747 1.00 0.00 C ATOM 758 C GLU A 55 18.251 -0.630 -19.113 1.00 0.00 C ATOM 759 O GLU A 55 18.018 0.555 -19.254 1.00 0.00 O ATOM 760 CB GLU A 55 17.322 -1.436 -16.937 1.00 0.00 C ATOM 761 CG GLU A 55 16.458 -0.174 -16.997 1.00 0.00 C ATOM 762 CD GLU A 55 15.295 -0.307 -16.012 1.00 0.00 C ATOM 763 OE1 GLU A 55 15.366 -1.170 -15.153 1.00 0.00 O ATOM 764 OE2 GLU A 55 14.352 0.458 -16.134 1.00 0.00 O ATOM 0 H GLU A 55 19.108 0.634 -16.806 1.00 0.00 H new ATOM 0 HA GLU A 55 19.107 -2.171 -17.884 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.769 -2.288 -17.334 1.00 0.00 H new ATOM 0 HB3 GLU A 55 17.570 -1.671 -15.902 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.058 0.703 -16.752 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.078 -0.028 -18.008 1.00 0.00 H new ATOM 771 N GLY A 56 18.218 -1.454 -20.123 1.00 0.00 N ATOM 772 CA GLY A 56 17.890 -0.955 -21.483 1.00 0.00 C ATOM 773 C GLY A 56 17.355 -2.110 -22.323 1.00 0.00 C ATOM 774 O GLY A 56 17.031 -3.164 -21.814 1.00 0.00 O ATOM 0 H GLY A 56 18.405 -2.455 -20.062 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.148 -0.159 -21.423 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.777 -0.529 -21.951 1.00 0.00 H new ATOM 778 N PHE A 57 17.268 -1.926 -23.606 1.00 0.00 N ATOM 779 CA PHE A 57 16.758 -3.023 -24.470 1.00 0.00 C ATOM 780 C PHE A 57 17.936 -3.788 -25.074 1.00 0.00 C ATOM 781 O PHE A 57 18.869 -3.210 -25.597 1.00 0.00 O ATOM 782 CB PHE A 57 15.883 -2.446 -25.585 1.00 0.00 C ATOM 783 CG PHE A 57 14.439 -2.445 -25.146 1.00 0.00 C ATOM 784 CD1 PHE A 57 13.798 -3.653 -24.846 1.00 0.00 C ATOM 785 CD2 PHE A 57 13.742 -1.236 -25.038 1.00 0.00 C ATOM 786 CE1 PHE A 57 12.458 -3.651 -24.438 1.00 0.00 C ATOM 787 CE2 PHE A 57 12.403 -1.235 -24.630 1.00 0.00 C ATOM 788 CZ PHE A 57 11.761 -2.442 -24.330 1.00 0.00 C ATOM 0 H PHE A 57 17.526 -1.068 -24.094 1.00 0.00 H new ATOM 0 HA PHE A 57 16.157 -3.705 -23.868 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.202 -1.431 -25.823 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.997 -3.037 -26.493 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.336 -4.586 -24.929 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.237 -0.304 -25.269 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.963 -4.582 -24.207 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.865 -0.302 -24.547 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.728 -2.440 -24.015 1.00 0.00 H new ATOM 798 N ILE A 58 17.888 -5.090 -25.011 1.00 0.00 N ATOM 799 CA ILE A 58 18.992 -5.914 -25.587 1.00 0.00 C ATOM 800 C ILE A 58 18.393 -6.902 -26.588 1.00 0.00 C ATOM 801 O ILE A 58 17.323 -7.435 -26.370 1.00 0.00 O ATOM 802 CB ILE A 58 19.698 -6.689 -24.470 1.00 0.00 C ATOM 803 CG1 ILE A 58 18.663 -7.408 -23.605 1.00 0.00 C ATOM 804 CG2 ILE A 58 20.502 -5.717 -23.603 1.00 0.00 C ATOM 805 CD1 ILE A 58 19.349 -8.531 -22.823 1.00 0.00 C ATOM 0 H ILE A 58 17.130 -5.622 -24.584 1.00 0.00 H new ATOM 0 HA ILE A 58 19.715 -5.267 -26.083 1.00 0.00 H new ATOM 0 HB ILE A 58 20.370 -7.424 -24.912 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.195 -6.704 -22.917 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.870 -7.817 -24.231 1.00 0.00 H new ATOM 0 HG21 ILE A 58 21.004 -6.268 -22.808 1.00 0.00 H new ATOM 0 HG22 ILE A 58 21.245 -5.210 -24.218 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.830 -4.980 -23.164 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.613 -9.046 -22.205 1.00 0.00 H new ATOM 0 HD12 ILE A 58 19.797 -9.239 -23.520 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.126 -8.109 -22.186 1.00 0.00 H new ATOM 817 N PRO A 59 19.083 -7.148 -27.711 1.00 0.00 N ATOM 818 CA PRO A 59 18.586 -8.069 -28.730 1.00 0.00 C ATOM 819 C PRO A 59 18.828 -9.526 -28.325 1.00 0.00 C ATOM 820 O PRO A 59 19.642 -9.808 -27.468 1.00 0.00 O ATOM 821 CB PRO A 59 19.411 -7.718 -29.964 1.00 0.00 C ATOM 822 CG PRO A 59 20.679 -7.127 -29.433 1.00 0.00 C ATOM 823 CD PRO A 59 20.381 -6.554 -28.069 1.00 0.00 C ATOM 0 HA PRO A 59 17.512 -7.975 -28.888 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.612 -8.603 -30.568 1.00 0.00 H new ATOM 0 HB3 PRO A 59 18.883 -7.009 -30.602 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.457 -7.887 -29.367 1.00 0.00 H new ATOM 0 HG3 PRO A 59 21.049 -6.350 -30.102 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.154 -6.818 -27.347 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.328 -5.466 -28.096 1.00 0.00 H new ATOM 831 N SER A 60 18.137 -10.456 -28.922 1.00 0.00 N ATOM 832 CA SER A 60 18.352 -11.880 -28.545 1.00 0.00 C ATOM 833 C SER A 60 19.434 -12.492 -29.437 1.00 0.00 C ATOM 834 O SER A 60 19.428 -13.675 -29.714 1.00 0.00 O ATOM 835 CB SER A 60 17.048 -12.658 -28.710 1.00 0.00 C ATOM 836 OG SER A 60 17.234 -13.993 -28.265 1.00 0.00 O ATOM 0 H SER A 60 17.439 -10.294 -29.648 1.00 0.00 H new ATOM 0 HA SER A 60 18.673 -11.932 -27.505 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.252 -12.180 -28.138 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.738 -12.652 -29.755 1.00 0.00 H new ATOM 0 HG SER A 60 17.455 -13.992 -27.310 1.00 0.00 H new ATOM 842 N ASN A 61 20.366 -11.696 -29.887 1.00 0.00 N ATOM 843 CA ASN A 61 21.447 -12.237 -30.758 1.00 0.00 C ATOM 844 C ASN A 61 22.782 -11.576 -30.400 1.00 0.00 C ATOM 845 O ASN A 61 23.804 -11.866 -30.990 1.00 0.00 O ATOM 846 CB ASN A 61 21.115 -11.943 -32.220 1.00 0.00 C ATOM 847 CG ASN A 61 19.637 -12.242 -32.477 1.00 0.00 C ATOM 848 OD1 ASN A 61 19.153 -13.408 -32.149 1.00 0.00 O flip ATOM 849 ND2 ASN A 61 18.915 -11.405 -32.983 1.00 0.00 N flip ATOM 0 H ASN A 61 20.425 -10.697 -29.689 1.00 0.00 H new ATOM 0 HA ASN A 61 21.525 -13.314 -30.607 1.00 0.00 H new ATOM 0 HB2 ASN A 61 21.332 -10.900 -32.451 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.739 -12.551 -32.875 1.00 0.00 H new ATOM 0 HD21 ASN A 61 19.293 -10.493 -33.240 1.00 0.00 H new ATOM 0 HD22 ASN A 61 17.931 -11.615 -33.151 1.00 0.00 H new ATOM 856 N TYR A 62 22.783 -10.686 -29.444 1.00 0.00 N ATOM 857 CA TYR A 62 24.056 -10.010 -29.063 1.00 0.00 C ATOM 858 C TYR A 62 24.606 -10.614 -27.769 1.00 0.00 C ATOM 859 O TYR A 62 25.796 -10.589 -27.524 1.00 0.00 O ATOM 860 CB TYR A 62 23.802 -8.516 -28.854 1.00 0.00 C ATOM 861 CG TYR A 62 23.768 -7.819 -30.192 1.00 0.00 C ATOM 862 CD1 TYR A 62 22.851 -8.227 -31.169 1.00 0.00 C ATOM 863 CD2 TYR A 62 24.654 -6.768 -30.457 1.00 0.00 C ATOM 864 CE1 TYR A 62 22.820 -7.581 -32.412 1.00 0.00 C ATOM 865 CE2 TYR A 62 24.623 -6.123 -31.699 1.00 0.00 C ATOM 866 CZ TYR A 62 23.706 -6.530 -32.676 1.00 0.00 C ATOM 867 OH TYR A 62 23.676 -5.894 -33.901 1.00 0.00 O ATOM 0 H TYR A 62 21.961 -10.399 -28.913 1.00 0.00 H new ATOM 0 HA TYR A 62 24.783 -10.151 -29.863 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.858 -8.367 -28.330 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.585 -8.087 -28.228 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.169 -9.039 -30.964 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.361 -6.455 -29.703 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.113 -7.894 -33.166 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.306 -5.312 -31.904 1.00 0.00 H new ATOM 0 HH TYR A 62 24.355 -5.187 -33.919 1.00 0.00 H new ATOM 877 N VAL A 63 23.760 -11.154 -26.935 1.00 0.00 N ATOM 878 CA VAL A 63 24.267 -11.747 -25.664 1.00 0.00 C ATOM 879 C VAL A 63 24.031 -13.258 -25.661 1.00 0.00 C ATOM 880 O VAL A 63 23.260 -13.781 -26.442 1.00 0.00 O ATOM 881 CB VAL A 63 23.547 -11.113 -24.472 1.00 0.00 C ATOM 882 CG1 VAL A 63 23.602 -9.591 -24.594 1.00 0.00 C ATOM 883 CG2 VAL A 63 22.087 -11.573 -24.454 1.00 0.00 C ATOM 0 H VAL A 63 22.751 -11.211 -27.075 1.00 0.00 H new ATOM 0 HA VAL A 63 25.336 -11.552 -25.585 1.00 0.00 H new ATOM 0 HB VAL A 63 24.035 -11.420 -23.547 1.00 0.00 H new ATOM 0 HG11 VAL A 63 23.089 -9.139 -23.745 1.00 0.00 H new ATOM 0 HG12 VAL A 63 24.642 -9.264 -24.606 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.114 -9.282 -25.519 1.00 0.00 H new ATOM 0 HG21 VAL A 63 21.574 -11.122 -23.605 1.00 0.00 H new ATOM 0 HG22 VAL A 63 21.598 -11.267 -25.379 1.00 0.00 H new ATOM 0 HG23 VAL A 63 22.049 -12.659 -24.366 1.00 0.00 H new