USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot 180:sc= 0.136 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.135 X(o=0.27,f=0) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -173:sc= 1.27 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 176:sc= 1.01 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 2.44 (180deg=2.36) USER MOD Single : A 2 GLN :FLIP amide:sc= 0.627 F(o=0,f=0.63) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0524 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0406 USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 2.36 (180deg=2.34) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0.168 (180deg=0.15) USER MOD Single : A 31 GLN : amide:sc= -0.881 K(o=-0.88,f=-5.3!) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= 1.19 (180deg=1.09) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 41 GLN : amide:sc= 0.848 K(o=0.85,f=-2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -65:sc= 1.2 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.0516 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0489) USER MOD Single : A 65 SER OG : rot 101:sc= 1.18 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.394 -7.026 -4.993 1.00 9.67 N ATOM 2 CA MET A 1 11.468 -7.437 -3.625 1.00 10.38 C ATOM 3 C MET A 1 10.082 -7.733 -3.028 1.00 9.62 C ATOM 4 O MET A 1 9.121 -7.442 -3.714 1.00 9.62 O ATOM 5 CB MET A 1 12.243 -6.422 -2.737 1.00 13.77 C ATOM 6 CG MET A 1 11.592 -5.066 -2.328 1.00 16.29 C ATOM 7 SD MET A 1 12.720 -3.872 -1.700 1.00 17.17 S ATOM 8 CE MET A 1 11.397 -2.697 -1.171 1.00 16.11 C ATOM 0 H1 MET A 1 12.355 -6.887 -5.366 1.00 9.67 H new ATOM 0 H2 MET A 1 10.909 -7.758 -5.550 1.00 9.67 H new ATOM 0 H3 MET A 1 10.865 -6.133 -5.059 1.00 9.67 H new ATOM 0 HA MET A 1 12.035 -8.368 -3.628 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.511 -6.940 -1.816 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.174 -6.188 -3.254 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.084 -4.645 -3.196 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.829 -5.257 -1.574 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.852 -1.815 -0.721 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.807 -2.399 -2.038 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.749 -3.183 -0.442 1.00 16.11 H new ATOM 20 N GLN A 2 9.923 -8.283 -1.822 1.00 9.27 N ATOM 21 CA GLN A 2 8.678 -8.630 -1.305 1.00 9.07 C ATOM 22 C GLN A 2 8.279 -7.854 -0.040 1.00 8.72 C ATOM 23 O GLN A 2 9.113 -7.606 0.874 1.00 8.22 O ATOM 24 CB GLN A 2 8.748 -10.125 -1.000 1.00 14.46 C ATOM 25 CG GLN A 2 7.400 -10.869 -0.787 1.00 17.01 C ATOM 26 CD GLN A 2 7.630 -12.400 -0.587 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.634 -13.188 -1.594 1.00 21.89 O flip ATOM 28 NE2 GLN A 2 7.593 -12.851 0.572 1.00 19.49 N flip ATOM 0 H GLN A 2 10.700 -8.488 -1.194 1.00 9.27 H new ATOM 0 HA GLN A 2 7.912 -8.377 -2.038 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.278 -10.613 -1.818 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.354 -10.259 -0.104 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.888 -10.458 0.083 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.750 -10.705 -1.647 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.590 -12.213 1.368 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.565 -13.859 0.726 1.00 19.49 H new ATOM 37 N ILE A 3 6.992 -7.495 0.036 1.00 5.87 N ATOM 38 CA ILE A 3 6.412 -6.847 1.198 1.00 5.07 C ATOM 39 C ILE A 3 5.002 -7.365 1.461 1.00 4.01 C ATOM 40 O ILE A 3 4.413 -8.025 0.629 1.00 4.61 O ATOM 41 CB ILE A 3 6.304 -5.330 1.087 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.447 -4.862 -0.122 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.715 -4.772 1.095 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.133 -3.348 -0.149 1.00 10.83 C ATOM 0 H ILE A 3 6.325 -7.652 -0.720 1.00 5.87 H new ATOM 0 HA ILE A 3 7.100 -7.088 2.008 1.00 5.07 H new ATOM 0 HB ILE A 3 5.756 -4.932 1.941 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.968 -5.127 -1.042 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.507 -5.413 -0.118 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.677 -3.685 1.017 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.212 -5.052 2.024 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.271 -5.177 0.250 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.531 -3.117 -1.028 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.581 -3.075 0.750 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.065 -2.784 -0.189 1.00 10.83 H new ATOM 56 N PHE A 4 4.455 -7.124 2.744 1.00 4.55 N ATOM 57 CA PHE A 4 3.251 -7.744 3.211 1.00 4.68 C ATOM 58 C PHE A 4 2.302 -6.665 3.613 1.00 5.30 C ATOM 59 O PHE A 4 2.537 -5.860 4.527 1.00 5.58 O ATOM 60 CB PHE A 4 3.532 -8.712 4.435 1.00 4.83 C ATOM 61 CG PHE A 4 4.762 -9.574 4.083 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.716 -10.402 2.963 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.917 -9.604 4.874 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.730 -11.326 2.652 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.976 -10.458 4.544 1.00 10.61 C ATOM 66 CZ PHE A 4 6.856 -11.395 3.479 1.00 8.90 C ATOM 0 H PHE A 4 4.881 -6.493 3.423 1.00 4.55 H new ATOM 0 HA PHE A 4 2.825 -8.352 2.413 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.716 -8.137 5.342 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.665 -9.344 4.629 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.863 -10.331 2.304 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.991 -8.966 5.742 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.641 -11.971 1.790 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.897 -10.405 5.105 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.618 -12.143 3.313 1.00 8.90 H new ATOM 76 N VAL A 5 1.162 -6.552 2.947 1.00 4.44 N ATOM 77 CA VAL A 5 0.047 -5.640 3.234 1.00 3.87 C ATOM 78 C VAL A 5 -1.019 -6.325 4.071 1.00 4.93 C ATOM 79 O VAL A 5 -1.601 -7.367 3.763 1.00 6.84 O ATOM 80 CB VAL A 5 -0.549 -4.973 1.978 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.793 -4.076 2.312 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.497 -4.195 1.231 1.00 9.13 C ATOM 0 H VAL A 5 0.971 -7.134 2.132 1.00 4.44 H new ATOM 0 HA VAL A 5 0.468 -4.823 3.820 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.903 -5.775 1.331 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.176 -3.629 1.395 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.570 -4.688 2.770 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.498 -3.287 3.004 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.049 -3.735 0.350 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.904 -3.418 1.878 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.298 -4.866 0.922 1.00 9.13 H new ATOM 92 N LYS A 6 -1.311 -5.791 5.308 1.00 6.04 N ATOM 93 CA LYS A 6 -2.282 -6.287 6.270 1.00 6.12 C ATOM 94 C LYS A 6 -3.638 -5.570 6.089 1.00 6.57 C ATOM 95 O LYS A 6 -3.721 -4.318 5.894 1.00 5.76 O ATOM 96 CB LYS A 6 -1.839 -6.048 7.733 1.00 7.45 C ATOM 97 CG LYS A 6 -0.774 -7.042 8.142 1.00 11.12 C ATOM 98 CD LYS A 6 -1.394 -8.317 8.676 1.00 14.54 C ATOM 99 CE LYS A 6 -0.300 -9.227 9.171 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.733 -10.656 9.272 1.00 20.55 N ATOM 0 H LYS A 6 -0.832 -4.958 5.649 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.367 -7.358 6.084 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.456 -5.033 7.840 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.699 -6.136 8.397 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.140 -7.273 7.286 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.132 -6.599 8.904 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.087 -8.088 9.485 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.969 -8.812 7.894 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.555 -9.158 8.498 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.036 -8.884 10.150 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.017 -11.215 9.727 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.603 -10.716 9.839 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.915 -11.032 8.319 1.00 20.55 H new ATOM 114 N THR A 7 -4.676 -6.414 6.207 1.00 7.41 N ATOM 115 CA THR A 7 -6.037 -5.981 6.081 1.00 7.48 C ATOM 116 C THR A 7 -7.052 -6.280 7.155 1.00 8.75 C ATOM 117 O THR A 7 -6.700 -6.742 8.259 1.00 8.58 O ATOM 118 CB THR A 7 -6.649 -6.234 4.670 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.032 -7.623 4.460 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.528 -5.925 3.585 1.00 9.17 C ATOM 0 H THR A 7 -4.573 -7.412 6.392 1.00 7.41 H new ATOM 0 HA THR A 7 -5.850 -4.920 6.249 1.00 7.48 H new ATOM 0 HB THR A 7 -7.533 -5.601 4.587 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.411 -7.726 3.562 1.00 11.78 H new ATOM 0 HG21 THR A 7 -5.931 -6.095 2.587 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.210 -4.886 3.676 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.673 -6.582 3.747 1.00 9.17 H new ATOM 128 N LEU A 8 -8.374 -5.962 6.984 1.00 9.84 N ATOM 129 CA LEU A 8 -9.342 -5.853 8.066 1.00 14.15 C ATOM 130 C LEU A 8 -9.481 -7.092 8.989 1.00 17.37 C ATOM 131 O LEU A 8 -9.640 -6.955 10.205 1.00 17.01 O ATOM 132 CB LEU A 8 -10.759 -5.574 7.384 1.00 16.63 C ATOM 133 CG LEU A 8 -11.916 -5.228 8.387 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.584 -3.902 9.136 1.00 19.31 C ATOM 135 CD2 LEU A 8 -13.236 -5.068 7.617 1.00 18.59 C ATOM 0 H LEU A 8 -8.778 -5.776 6.066 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.987 -5.057 8.721 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.651 -4.751 6.678 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.048 -6.452 6.807 1.00 16.63 H new ATOM 0 HG LEU A 8 -12.016 -6.036 9.112 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -12.389 -3.665 9.831 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.651 -4.019 9.688 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.479 -3.093 8.414 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -14.038 -4.828 8.315 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -13.137 -4.264 6.888 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -13.471 -5.999 7.101 1.00 18.59 H new ATOM 147 N THR A 9 -9.351 -8.341 8.407 1.00 18.33 N ATOM 148 CA THR A 9 -9.448 -9.605 9.092 1.00 19.24 C ATOM 149 C THR A 9 -8.112 -10.073 9.726 1.00 19.48 C ATOM 150 O THR A 9 -8.046 -11.092 10.442 1.00 23.14 O ATOM 151 CB THR A 9 -10.024 -10.788 8.306 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.202 -11.100 7.171 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.346 -10.487 7.662 1.00 19.70 C ATOM 0 H THR A 9 -9.170 -8.452 7.409 1.00 18.33 H new ATOM 0 HA THR A 9 -10.179 -9.345 9.858 1.00 19.24 H new ATOM 0 HB THR A 9 -10.095 -11.582 9.049 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.588 -11.859 6.686 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.696 -11.367 7.122 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.072 -10.219 8.430 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.231 -9.656 6.966 1.00 19.70 H new ATOM 161 N GLY A 10 -7.017 -9.316 9.470 1.00 19.43 N ATOM 162 CA GLY A 10 -5.565 -9.611 9.754 1.00 18.74 C ATOM 163 C GLY A 10 -4.905 -10.342 8.676 1.00 17.62 C ATOM 164 O GLY A 10 -3.781 -10.801 8.855 1.00 19.74 O ATOM 0 H GLY A 10 -7.120 -8.405 9.023 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.037 -8.673 9.924 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.492 -10.190 10.675 1.00 18.74 H new ATOM 168 N LYS A 11 -5.706 -10.562 7.640 1.00 13.56 N ATOM 169 CA LYS A 11 -5.296 -11.135 6.304 1.00 11.91 C ATOM 170 C LYS A 11 -4.129 -10.426 5.704 1.00 10.18 C ATOM 171 O LYS A 11 -4.070 -9.216 5.799 1.00 9.10 O ATOM 172 CB LYS A 11 -6.493 -11.126 5.317 1.00 13.43 C ATOM 173 CG LYS A 11 -6.200 -11.583 3.894 1.00 16.69 C ATOM 174 CD LYS A 11 -7.407 -11.316 3.005 1.00 17.92 C ATOM 175 CE LYS A 11 -7.397 -12.229 1.764 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.551 -11.753 0.981 1.00 21.93 N ATOM 0 H LYS A 11 -6.702 -10.348 7.679 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.985 -12.163 6.488 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.278 -11.763 5.726 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.894 -10.113 5.275 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.328 -11.056 3.506 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.960 -12.646 3.886 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.323 -11.479 3.572 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.408 -10.272 2.692 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.466 -12.137 1.205 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.502 -13.279 2.037 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.634 -12.313 0.109 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.419 -11.858 1.544 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.416 -10.751 0.737 1.00 21.93 H new ATOM 190 N THR A 12 -3.195 -11.158 5.148 1.00 9.63 N ATOM 191 CA THR A 12 -1.920 -10.681 4.757 1.00 9.85 C ATOM 192 C THR A 12 -1.763 -10.866 3.269 1.00 11.66 C ATOM 193 O THR A 12 -1.715 -11.979 2.748 1.00 12.33 O ATOM 194 CB THR A 12 -0.713 -11.339 5.430 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.012 -11.777 6.769 1.00 10.91 O ATOM 196 CG2 THR A 12 0.472 -10.294 5.429 1.00 9.63 C ATOM 0 H THR A 12 -3.324 -12.151 4.952 1.00 9.63 H new ATOM 0 HA THR A 12 -1.911 -9.638 5.075 1.00 9.85 H new ATOM 0 HB THR A 12 -0.433 -12.234 4.874 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.237 -12.249 7.139 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.348 -10.737 5.904 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.715 -10.021 4.402 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.172 -9.403 5.980 1.00 9.63 H new ATOM 204 N ILE A 13 -1.730 -9.786 2.498 1.00 10.42 N ATOM 205 CA ILE A 13 -1.474 -9.823 1.086 1.00 11.84 C ATOM 206 C ILE A 13 0.014 -9.738 0.773 1.00 10.55 C ATOM 207 O ILE A 13 0.679 -8.756 1.084 1.00 11.92 O ATOM 208 CB ILE A 13 -2.235 -8.740 0.338 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.714 -8.515 0.814 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.216 -9.027 -1.184 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.226 -7.120 0.508 1.00 16.46 C ATOM 0 H ILE A 13 -1.886 -8.844 2.857 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.837 -10.790 0.738 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.708 -7.814 0.568 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.361 -9.248 0.332 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.776 -8.692 1.888 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.764 -8.245 -1.709 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.185 -9.047 -1.538 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.685 -9.991 -1.378 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.253 -7.024 0.860 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.599 -6.384 1.012 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.194 -6.948 -0.568 1.00 16.46 H new ATOM 223 N THR A 14 0.494 -10.789 0.086 1.00 9.39 N ATOM 224 CA THR A 14 1.848 -10.771 -0.396 1.00 9.63 C ATOM 225 C THR A 14 2.035 -9.956 -1.621 1.00 11.20 C ATOM 226 O THR A 14 1.293 -10.079 -2.587 1.00 11.63 O ATOM 227 CB THR A 14 2.281 -12.213 -0.711 1.00 10.38 C ATOM 228 OG1 THR A 14 2.041 -13.026 0.400 1.00 16.30 O ATOM 229 CG2 THR A 14 3.792 -12.349 -1.056 1.00 11.66 C ATOM 0 H THR A 14 -0.035 -11.633 -0.134 1.00 9.39 H new ATOM 0 HA THR A 14 2.452 -10.318 0.390 1.00 9.63 H new ATOM 0 HB THR A 14 1.700 -12.514 -1.583 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.315 -13.945 0.198 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.025 -13.393 -1.267 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.021 -11.742 -1.932 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.390 -12.007 -0.211 1.00 11.66 H new ATOM 237 N LEU A 15 3.041 -9.111 -1.773 1.00 8.29 N ATOM 238 CA LEU A 15 3.263 -8.254 -2.905 1.00 9.03 C ATOM 239 C LEU A 15 4.669 -8.105 -3.357 1.00 8.59 C ATOM 240 O LEU A 15 5.606 -7.867 -2.592 1.00 7.79 O ATOM 241 CB LEU A 15 2.750 -6.823 -2.682 1.00 11.08 C ATOM 242 CG LEU A 15 1.264 -6.569 -2.509 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.112 -5.075 -2.279 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.251 -7.088 -3.579 1.00 15.27 C ATOM 0 H LEU A 15 3.763 -9.006 -1.061 1.00 8.29 H new ATOM 0 HA LEU A 15 2.702 -8.786 -3.673 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.251 -6.433 -1.796 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.085 -6.223 -3.528 1.00 11.08 H new ATOM 0 HG LEU A 15 0.965 -7.196 -1.669 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.057 -4.833 -2.147 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.665 -4.786 -1.385 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.504 -4.533 -3.139 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.762 -6.812 -3.285 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.482 -6.641 -4.546 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.325 -8.173 -3.654 1.00 15.27 H new ATOM 256 N GLU A 16 4.894 -8.234 -4.634 1.00 11.04 N ATOM 257 CA GLU A 16 6.218 -8.113 -5.269 1.00 11.50 C ATOM 258 C GLU A 16 6.346 -6.623 -5.710 1.00 10.13 C ATOM 259 O GLU A 16 5.630 -6.140 -6.645 1.00 9.83 O ATOM 260 CB GLU A 16 6.349 -9.058 -6.466 1.00 17.22 C ATOM 261 CG GLU A 16 7.640 -8.803 -7.277 1.00 23.33 C ATOM 262 CD GLU A 16 8.887 -9.204 -6.474 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.732 -10.225 -5.730 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.987 -8.605 -6.573 1.00 28.86 O ATOM 0 H GLU A 16 4.149 -8.433 -5.302 1.00 11.04 H new ATOM 0 HA GLU A 16 7.014 -8.392 -4.579 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.342 -10.090 -6.114 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.484 -8.937 -7.118 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.606 -9.369 -8.208 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.701 -7.749 -7.547 1.00 23.33 H new ATOM 271 N VAL A 17 7.281 -5.885 -5.108 1.00 8.99 N ATOM 272 CA VAL A 17 7.391 -4.412 -5.260 1.00 8.85 C ATOM 273 C VAL A 17 8.864 -4.100 -5.570 1.00 8.04 C ATOM 274 O VAL A 17 9.760 -4.838 -5.263 1.00 8.99 O ATOM 275 CB VAL A 17 6.961 -3.627 -3.988 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.484 -3.806 -3.931 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.670 -4.268 -2.695 1.00 10.54 C ATOM 0 H VAL A 17 7.992 -6.284 -4.496 1.00 8.99 H new ATOM 0 HA VAL A 17 6.717 -4.097 -6.057 1.00 8.85 H new ATOM 0 HB VAL A 17 7.243 -2.575 -4.013 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.088 -3.284 -3.060 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.033 -3.398 -4.835 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.249 -4.868 -3.855 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.368 -3.717 -1.804 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.371 -5.311 -2.596 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.753 -4.210 -2.808 1.00 10.54 H new ATOM 287 N GLU A 18 9.127 -2.946 -6.213 1.00 7.29 N ATOM 288 CA GLU A 18 10.450 -2.388 -6.375 1.00 7.08 C ATOM 289 C GLU A 18 10.508 -1.177 -5.468 1.00 6.45 C ATOM 290 O GLU A 18 9.463 -0.664 -5.031 1.00 5.28 O ATOM 291 CB GLU A 18 10.694 -2.077 -7.848 1.00 10.28 C ATOM 292 CG GLU A 18 10.847 -3.412 -8.630 1.00 12.65 C ATOM 293 CD GLU A 18 12.074 -4.137 -8.335 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.218 -3.533 -8.337 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.011 -5.362 -8.010 1.00 18.17 O ATOM 0 H GLU A 18 8.396 -2.375 -6.638 1.00 7.29 H new ATOM 0 HA GLU A 18 11.248 -3.075 -6.092 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.864 -1.497 -8.252 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.592 -1.470 -7.961 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.995 -4.053 -8.403 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.811 -3.201 -9.699 1.00 12.65 H new ATOM 302 N PRO A 19 11.584 -0.532 -5.170 1.00 7.24 N ATOM 303 CA PRO A 19 11.686 0.715 -4.412 1.00 7.07 C ATOM 304 C PRO A 19 11.147 1.957 -5.074 1.00 6.65 C ATOM 305 O PRO A 19 10.761 2.893 -4.373 1.00 6.37 O ATOM 306 CB PRO A 19 13.217 0.849 -4.160 1.00 7.61 C ATOM 307 CG PRO A 19 13.685 -0.642 -4.256 1.00 8.16 C ATOM 308 CD PRO A 19 12.918 -1.190 -5.370 1.00 7.49 C ATOM 0 HA PRO A 19 11.063 0.650 -3.520 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.701 1.479 -4.906 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.435 1.285 -3.185 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.757 -0.711 -4.439 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.484 -1.182 -3.331 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.359 -0.938 -6.334 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.850 -2.277 -5.325 1.00 7.49 H new ATOM 316 N SER A 20 11.173 2.016 -6.423 1.00 6.80 N ATOM 317 CA SER A 20 10.765 3.041 -7.365 1.00 6.28 C ATOM 318 C SER A 20 9.329 2.877 -7.757 1.00 8.45 C ATOM 319 O SER A 20 8.859 3.564 -8.676 1.00 7.26 O ATOM 320 CB SER A 20 11.563 2.845 -8.678 1.00 8.57 C ATOM 321 OG SER A 20 11.563 1.507 -9.154 1.00 11.13 O ATOM 0 H SER A 20 11.540 1.214 -6.936 1.00 6.80 H new ATOM 0 HA SER A 20 10.932 4.009 -6.893 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.145 3.494 -9.447 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.593 3.164 -8.517 1.00 8.57 H new ATOM 0 HG SER A 20 12.082 1.455 -9.984 1.00 11.13 H new ATOM 327 N ASP A 21 8.520 2.053 -7.056 1.00 7.50 N ATOM 328 CA ASP A 21 7.128 1.982 -7.311 1.00 7.70 C ATOM 329 C ASP A 21 6.519 3.018 -6.383 1.00 7.08 C ATOM 330 O ASP A 21 6.744 3.095 -5.208 1.00 8.11 O ATOM 331 CB ASP A 21 6.571 0.538 -7.101 1.00 11.00 C ATOM 332 CG ASP A 21 7.069 -0.452 -8.090 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.203 -0.193 -9.298 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.283 -1.631 -7.701 1.00 14.36 O ATOM 0 H ASP A 21 8.843 1.437 -6.310 1.00 7.50 H new ATOM 0 HA ASP A 21 6.876 2.197 -8.349 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.836 0.200 -6.099 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.483 0.569 -7.150 1.00 11.00 H new ATOM 339 N THR A 22 5.690 3.880 -6.966 1.00 5.37 N ATOM 340 CA THR A 22 4.678 4.662 -6.289 1.00 6.01 C ATOM 341 C THR A 22 3.732 3.813 -5.518 1.00 8.01 C ATOM 342 O THR A 22 3.286 2.717 -5.850 1.00 8.11 O ATOM 343 CB THR A 22 3.943 5.805 -7.093 1.00 8.92 C ATOM 344 OG1 THR A 22 3.423 5.284 -8.311 1.00 10.22 O ATOM 345 CG2 THR A 22 4.970 6.914 -7.497 1.00 9.65 C ATOM 0 H THR A 22 5.713 4.055 -7.971 1.00 5.37 H new ATOM 0 HA THR A 22 5.285 5.247 -5.598 1.00 6.01 H new ATOM 0 HB THR A 22 3.151 6.204 -6.460 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.967 5.998 -8.804 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.457 7.700 -8.051 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.420 7.338 -6.599 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.749 6.478 -8.122 1.00 9.65 H new ATOM 353 N ILE A 23 3.202 4.437 -4.439 1.00 8.32 N ATOM 354 CA ILE A 23 1.976 3.975 -3.792 1.00 9.92 C ATOM 355 C ILE A 23 0.821 3.799 -4.831 1.00 10.01 C ATOM 356 O ILE A 23 0.144 2.812 -4.775 1.00 8.71 O ATOM 357 CB ILE A 23 1.542 4.836 -2.682 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.775 4.979 -1.760 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.324 4.267 -1.914 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.564 3.765 -1.314 1.00 12.30 C ATOM 0 H ILE A 23 3.615 5.263 -4.006 1.00 8.32 H new ATOM 0 HA ILE A 23 2.216 3.004 -3.358 1.00 9.92 H new ATOM 0 HB ILE A 23 1.200 5.799 -3.060 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.474 5.646 -2.264 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.441 5.491 -0.858 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.052 4.948 -1.107 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.519 4.159 -2.597 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.580 3.293 -1.496 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.388 4.081 -0.674 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.912 3.091 -0.759 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.961 3.248 -2.188 1.00 12.30 H new ATOM 372 N GLU A 24 0.642 4.653 -5.849 1.00 9.54 N ATOM 373 CA GLU A 24 -0.330 4.407 -6.859 1.00 11.81 C ATOM 374 C GLU A 24 -0.141 3.055 -7.552 1.00 11.14 C ATOM 375 O GLU A 24 -1.046 2.241 -7.657 1.00 10.62 O ATOM 376 CB GLU A 24 -0.358 5.531 -7.877 1.00 19.24 C ATOM 377 CG GLU A 24 -1.521 5.470 -8.844 1.00 27.76 C ATOM 378 CD GLU A 24 -1.598 6.659 -9.715 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.631 6.937 -10.481 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.635 7.366 -9.730 1.00 34.80 O ATOM 0 H GLU A 24 1.172 5.516 -5.972 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.294 4.369 -6.352 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.391 6.483 -7.348 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.572 5.514 -8.445 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.428 4.577 -9.462 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.451 5.374 -8.283 1.00 27.76 H new ATOM 387 N ASN A 25 1.094 2.703 -7.934 1.00 9.43 N ATOM 388 CA ASN A 25 1.484 1.423 -8.460 1.00 10.96 C ATOM 389 C ASN A 25 1.219 0.296 -7.459 1.00 9.68 C ATOM 390 O ASN A 25 0.528 -0.677 -7.748 1.00 9.33 O ATOM 391 CB ASN A 25 2.951 1.339 -8.827 1.00 16.78 C ATOM 392 CG ASN A 25 3.138 1.697 -10.301 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.107 0.874 -11.246 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.242 3.012 -10.575 1.00 24.70 N ATOM 0 H ASN A 25 1.878 3.352 -7.874 1.00 9.43 H new ATOM 0 HA ASN A 25 0.878 1.309 -9.359 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.531 2.018 -8.202 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.326 0.333 -8.637 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.295 3.329 -11.543 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.268 3.691 -9.814 1.00 24.70 H new ATOM 401 N VAL A 26 1.654 0.489 -6.194 1.00 6.52 N ATOM 402 CA VAL A 26 1.242 -0.384 -5.110 1.00 5.53 C ATOM 403 C VAL A 26 -0.281 -0.579 -4.933 1.00 4.42 C ATOM 404 O VAL A 26 -0.687 -1.649 -4.552 1.00 3.40 O ATOM 405 CB VAL A 26 1.968 -0.047 -3.802 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.522 -0.924 -2.621 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.530 -0.034 -4.012 1.00 8.12 C ATOM 0 H VAL A 26 2.285 1.240 -5.916 1.00 6.52 H new ATOM 0 HA VAL A 26 1.567 -1.376 -5.425 1.00 5.53 H new ATOM 0 HB VAL A 26 1.674 0.964 -3.520 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.073 -0.636 -1.726 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.454 -0.788 -2.450 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.723 -1.971 -2.849 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.022 0.208 -3.070 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.860 -1.016 -4.352 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.790 0.715 -4.760 1.00 8.12 H new ATOM 417 N LYS A 27 -1.154 0.483 -5.233 1.00 2.64 N ATOM 418 CA LYS A 27 -2.622 0.267 -5.270 1.00 4.14 C ATOM 419 C LYS A 27 -3.000 -0.680 -6.412 1.00 5.58 C ATOM 420 O LYS A 27 -3.888 -1.509 -6.207 1.00 4.11 O ATOM 421 CB LYS A 27 -3.389 1.575 -5.183 1.00 3.97 C ATOM 422 CG LYS A 27 -3.002 2.467 -4.015 1.00 7.45 C ATOM 423 CD LYS A 27 -3.711 3.821 -3.882 1.00 9.02 C ATOM 424 CE LYS A 27 -3.817 4.513 -2.459 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.760 5.626 -2.587 1.00 15.47 N ATOM 0 H LYS A 27 -0.855 1.436 -5.438 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.943 -0.259 -4.371 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.240 2.129 -6.110 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.454 1.351 -5.113 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.174 1.908 -3.095 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.930 2.655 -4.078 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.206 4.521 -4.548 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.726 3.697 -4.261 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -4.162 3.801 -1.710 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.841 4.872 -2.132 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.869 6.096 -1.666 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.399 6.309 -3.283 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.683 5.265 -2.903 1.00 15.47 H new ATOM 439 N ALA A 28 -2.444 -0.408 -7.607 1.00 6.61 N ATOM 440 CA ALA A 28 -2.809 -1.233 -8.762 1.00 7.74 C ATOM 441 C ALA A 28 -2.450 -2.771 -8.667 1.00 9.17 C ATOM 442 O ALA A 28 -3.223 -3.670 -9.017 1.00 11.45 O ATOM 443 CB ALA A 28 -2.204 -0.644 -10.058 1.00 7.68 C ATOM 0 H ALA A 28 -1.774 0.339 -7.790 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.898 -1.197 -8.775 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.484 -1.268 -10.907 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.583 0.367 -10.210 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.118 -0.615 -9.972 1.00 7.68 H new ATOM 449 N LYS A 29 -1.346 -3.149 -8.058 1.00 8.96 N ATOM 450 CA LYS A 29 -1.005 -4.514 -7.587 1.00 7.90 C ATOM 451 C LYS A 29 -2.146 -5.078 -6.685 1.00 6.92 C ATOM 452 O LYS A 29 -2.650 -6.180 -6.931 1.00 6.87 O ATOM 453 CB LYS A 29 0.279 -4.527 -6.795 1.00 10.28 C ATOM 454 CG LYS A 29 1.474 -3.970 -7.579 1.00 14.94 C ATOM 455 CD LYS A 29 2.822 -3.996 -6.802 1.00 19.69 C ATOM 456 CE LYS A 29 4.002 -3.506 -7.705 1.00 22.63 C ATOM 457 NZ LYS A 29 4.348 -4.479 -8.839 1.00 24.98 N ATOM 0 H LYS A 29 -0.601 -2.482 -7.856 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.881 -5.135 -8.474 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.144 -3.942 -5.885 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.499 -5.549 -6.487 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.588 -4.543 -8.499 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.256 -2.942 -7.869 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.748 -3.362 -5.919 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.024 -5.008 -6.452 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.743 -2.538 -8.134 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.885 -3.354 -7.085 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.090 -4.064 -9.438 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.689 -5.375 -8.436 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.500 -4.659 -9.413 1.00 24.98 H new ATOM 471 N ILE A 30 -2.607 -4.317 -5.724 1.00 4.57 N ATOM 472 CA ILE A 30 -3.717 -4.603 -4.827 1.00 5.58 C ATOM 473 C ILE A 30 -5.027 -4.723 -5.627 1.00 7.26 C ATOM 474 O ILE A 30 -5.932 -5.494 -5.319 1.00 9.46 O ATOM 475 CB ILE A 30 -3.812 -3.752 -3.605 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.532 -4.000 -2.837 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.980 -4.134 -2.719 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.195 -3.120 -1.621 1.00 2.00 C ATOM 0 H ILE A 30 -2.188 -3.408 -5.527 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.503 -5.574 -4.380 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.958 -2.711 -3.894 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.551 -5.035 -2.496 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.706 -3.912 -3.542 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.002 -3.483 -1.845 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.910 -4.024 -3.276 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.869 -5.170 -2.398 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.244 -3.438 -1.194 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.122 -2.079 -1.935 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.980 -3.219 -0.872 1.00 2.00 H new ATOM 490 N GLN A 31 -5.252 -3.907 -6.704 1.00 7.06 N ATOM 491 CA GLN A 31 -6.498 -3.984 -7.503 1.00 8.67 C ATOM 492 C GLN A 31 -6.523 -5.335 -8.230 1.00 10.90 C ATOM 493 O GLN A 31 -7.546 -6.017 -8.245 1.00 9.63 O ATOM 494 CB GLN A 31 -6.684 -2.934 -8.547 1.00 9.12 C ATOM 495 CG GLN A 31 -6.868 -1.482 -8.091 1.00 10.76 C ATOM 496 CD GLN A 31 -6.803 -0.565 -9.362 1.00 13.78 C ATOM 497 OE1 GLN A 31 -5.679 -0.131 -9.683 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.993 -0.255 -9.899 1.00 14.76 N ATOM 0 H GLN A 31 -4.591 -3.201 -7.028 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.299 -3.841 -6.777 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -5.820 -2.967 -9.210 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -7.554 -3.208 -9.143 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.824 -1.360 -7.581 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -6.090 -1.204 -7.380 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -8.844 -0.687 -9.538 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.047 0.413 -10.668 1.00 14.76 H new ATOM 507 N ASP A 32 -5.410 -5.823 -8.760 1.00 10.93 N ATOM 508 CA ASP A 32 -5.249 -7.083 -9.439 1.00 14.01 C ATOM 509 C ASP A 32 -5.624 -8.281 -8.520 1.00 14.04 C ATOM 510 O ASP A 32 -6.455 -9.110 -8.867 1.00 13.39 O ATOM 511 CB ASP A 32 -3.851 -7.142 -9.994 1.00 18.01 C ATOM 512 CG ASP A 32 -3.688 -8.116 -11.104 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.322 -7.851 -12.171 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.903 -9.101 -11.054 1.00 26.29 O ATOM 0 H ASP A 32 -4.534 -5.301 -8.718 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.944 -7.162 -10.275 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.568 -6.151 -10.348 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.162 -7.402 -9.191 1.00 18.01 H new ATOM 519 N LYS A 33 -5.018 -8.385 -7.303 1.00 14.22 N ATOM 520 CA LYS A 33 -5.229 -9.467 -6.417 1.00 14.00 C ATOM 521 C LYS A 33 -6.602 -9.440 -5.753 1.00 12.37 C ATOM 522 O LYS A 33 -7.255 -10.478 -5.703 1.00 12.17 O ATOM 523 CB LYS A 33 -4.252 -9.453 -5.246 1.00 18.62 C ATOM 524 CG LYS A 33 -2.919 -10.110 -5.637 1.00 24.00 C ATOM 525 CD LYS A 33 -2.216 -10.855 -4.539 1.00 27.61 C ATOM 526 CE LYS A 33 -0.842 -11.392 -5.065 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.065 -11.926 -3.948 1.00 30.06 N ATOM 0 H LYS A 33 -4.367 -7.686 -6.945 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.107 -10.343 -7.055 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.076 -8.426 -4.926 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.687 -9.981 -4.398 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.103 -10.800 -6.460 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.250 -9.336 -6.013 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.058 -10.198 -3.684 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.834 -11.684 -4.195 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.005 -12.169 -5.812 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.290 -10.590 -5.555 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.757 -12.447 -4.315 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.261 -11.143 -3.346 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.660 -12.569 -3.387 1.00 30.06 H new ATOM 541 N GLU A 34 -6.955 -8.288 -5.183 1.00 10.11 N ATOM 542 CA GLU A 34 -8.075 -8.146 -4.267 1.00 10.07 C ATOM 543 C GLU A 34 -9.115 -7.101 -4.718 1.00 9.32 C ATOM 544 O GLU A 34 -10.101 -6.856 -4.017 1.00 11.61 O ATOM 545 CB GLU A 34 -7.531 -7.663 -2.863 1.00 14.77 C ATOM 546 CG GLU A 34 -6.721 -8.725 -2.094 1.00 18.75 C ATOM 547 CD GLU A 34 -7.639 -9.736 -1.428 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.267 -9.401 -0.380 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.728 -10.893 -1.949 1.00 25.19 O ATOM 0 H GLU A 34 -6.458 -7.413 -5.351 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.560 -9.122 -4.229 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.904 -6.784 -3.013 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.375 -7.352 -2.248 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.046 -9.238 -2.779 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.102 -8.239 -1.340 1.00 18.75 H new ATOM 556 N GLY A 35 -8.978 -6.373 -5.837 1.00 7.22 N ATOM 557 CA GLY A 35 -10.054 -5.566 -6.408 1.00 6.29 C ATOM 558 C GLY A 35 -10.317 -4.235 -5.827 1.00 6.93 C ATOM 559 O GLY A 35 -11.256 -3.538 -6.268 1.00 7.41 O ATOM 0 H GLY A 35 -8.110 -6.331 -6.370 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.840 -5.429 -7.468 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.975 -6.145 -6.341 1.00 6.29 H new ATOM 563 N ILE A 36 -9.605 -3.807 -4.796 1.00 5.86 N ATOM 564 CA ILE A 36 -10.056 -2.729 -3.914 1.00 6.07 C ATOM 565 C ILE A 36 -9.930 -1.344 -4.627 1.00 6.36 C ATOM 566 O ILE A 36 -8.866 -1.155 -5.175 1.00 6.18 O ATOM 567 CB ILE A 36 -9.194 -2.685 -2.683 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.244 -4.132 -1.940 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.678 -1.582 -1.696 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.745 -4.160 -0.470 1.00 9.49 C ATOM 0 H ILE A 36 -8.696 -4.195 -4.543 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.097 -2.923 -3.654 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.174 -2.451 -2.986 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.272 -4.493 -1.961 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.647 -4.836 -2.519 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.035 -1.574 -0.816 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.633 -0.610 -2.187 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.705 -1.789 -1.394 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.824 -5.174 -0.078 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.705 -3.837 -0.433 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.355 -3.489 0.134 1.00 9.49 H new ATOM 582 N PRO A 37 -10.868 -0.460 -4.755 1.00 8.65 N ATOM 583 CA PRO A 37 -10.726 0.812 -5.424 1.00 9.18 C ATOM 584 C PRO A 37 -9.536 1.662 -5.041 1.00 9.85 C ATOM 585 O PRO A 37 -9.396 1.832 -3.830 1.00 8.51 O ATOM 586 CB PRO A 37 -12.105 1.511 -5.325 1.00 11.42 C ATOM 587 CG PRO A 37 -13.111 0.347 -5.160 1.00 9.27 C ATOM 588 CD PRO A 37 -12.326 -0.666 -4.286 1.00 8.33 C ATOM 0 HA PRO A 37 -10.457 0.635 -6.465 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.145 2.195 -4.477 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.319 2.098 -6.218 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -14.030 0.673 -4.674 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.394 -0.082 -6.121 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.442 -0.459 -3.222 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.664 -1.689 -4.450 1.00 8.33 H new ATOM 596 N PRO A 38 -8.730 2.239 -5.922 1.00 8.71 N ATOM 597 CA PRO A 38 -7.525 2.962 -5.548 1.00 9.08 C ATOM 598 C PRO A 38 -7.773 4.223 -4.789 1.00 9.28 C ATOM 599 O PRO A 38 -6.947 4.517 -3.952 1.00 6.50 O ATOM 600 CB PRO A 38 -6.775 3.153 -6.893 1.00 10.31 C ATOM 601 CG PRO A 38 -7.796 2.942 -8.019 1.00 10.81 C ATOM 602 CD PRO A 38 -8.856 2.032 -7.411 1.00 12.00 C ATOM 0 HA PRO A 38 -6.924 2.409 -4.825 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.339 4.150 -6.952 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.954 2.441 -6.980 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -8.226 3.888 -8.346 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -7.333 2.483 -8.893 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.853 2.294 -7.764 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.686 0.990 -7.682 1.00 12.00 H new ATOM 610 N ASP A 39 -8.953 4.906 -4.974 1.00 11.20 N ATOM 611 CA ASP A 39 -9.271 6.012 -4.128 1.00 14.96 C ATOM 612 C ASP A 39 -9.803 5.623 -2.758 1.00 13.99 C ATOM 613 O ASP A 39 -9.718 6.413 -1.826 1.00 13.75 O ATOM 614 CB ASP A 39 -10.339 6.795 -4.965 1.00 24.16 C ATOM 615 CG ASP A 39 -10.593 8.161 -4.438 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.693 9.053 -4.511 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.755 8.425 -4.007 1.00 34.22 O ATOM 0 H ASP A 39 -9.649 4.688 -5.687 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.383 6.594 -3.881 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.003 6.866 -5.999 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.273 6.233 -4.971 1.00 24.16 H new ATOM 622 N GLN A 40 -10.273 4.394 -2.607 1.00 11.60 N ATOM 623 CA GLN A 40 -10.740 3.862 -1.329 1.00 10.76 C ATOM 624 C GLN A 40 -9.648 3.322 -0.457 1.00 8.01 C ATOM 625 O GLN A 40 -9.625 3.483 0.763 1.00 8.96 O ATOM 626 CB GLN A 40 -11.761 2.737 -1.674 1.00 11.14 C ATOM 627 CG GLN A 40 -12.695 2.417 -0.484 1.00 14.85 C ATOM 628 CD GLN A 40 -13.709 1.296 -0.781 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.810 0.310 -0.014 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.517 1.453 -1.821 1.00 18.16 N ATOM 0 H GLN A 40 -10.343 3.727 -3.376 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.183 4.672 -0.749 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.359 3.041 -2.533 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.222 1.835 -1.965 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.089 2.130 0.375 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.236 3.321 -0.204 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.413 2.265 -2.430 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.242 0.762 -2.012 1.00 18.16 H new ATOM 639 N GLN A 41 -8.579 2.814 -1.096 1.00 6.52 N ATOM 640 CA GLN A 41 -7.379 2.518 -0.370 1.00 3.87 C ATOM 641 C GLN A 41 -6.701 3.688 0.257 1.00 4.79 C ATOM 642 O GLN A 41 -6.472 4.688 -0.419 1.00 6.34 O ATOM 643 CB GLN A 41 -6.333 1.774 -1.276 1.00 4.20 C ATOM 644 CG GLN A 41 -6.771 0.392 -1.846 1.00 3.20 C ATOM 645 CD GLN A 41 -5.833 -0.250 -2.874 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.635 -0.429 -2.548 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.299 -0.743 -4.082 1.00 7.13 N ATOM 0 H GLN A 41 -8.542 2.611 -2.095 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.727 1.882 0.444 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.082 2.425 -2.113 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.420 1.632 -0.698 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.888 -0.300 -1.012 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.753 0.507 -2.305 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.273 -0.599 -4.350 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.668 -1.250 -4.703 1.00 7.13 H new ATOM 656 N ARG A 42 -6.203 3.549 1.562 1.00 5.73 N ATOM 657 CA ARG A 42 -5.192 4.455 2.197 1.00 6.97 C ATOM 658 C ARG A 42 -4.180 3.533 2.831 1.00 7.15 C ATOM 659 O ARG A 42 -4.440 2.755 3.735 1.00 7.33 O ATOM 660 CB ARG A 42 -5.816 5.239 3.356 1.00 13.23 C ATOM 661 CG ARG A 42 -7.000 6.110 2.868 1.00 21.27 C ATOM 662 CD ARG A 42 -7.452 7.136 3.939 1.00 26.14 C ATOM 663 NE ARG A 42 -8.328 8.143 3.311 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.232 8.882 3.993 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.604 8.496 5.222 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.639 9.998 3.442 1.00 36.39 N ATOM 0 H ARG A 42 -6.506 2.799 2.183 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.788 5.146 1.457 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.162 4.546 4.123 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.060 5.874 3.818 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.710 6.639 1.960 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.840 5.466 2.607 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.982 6.628 4.745 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.583 7.620 4.385 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.247 8.290 2.305 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.206 7.652 5.634 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.285 9.046 5.745 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.275 10.280 2.532 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.320 10.585 3.923 1.00 36.39 H new ATOM 680 N LEU A 43 -2.917 3.690 2.354 1.00 4.65 N ATOM 681 CA LEU A 43 -1.827 2.806 2.696 1.00 3.51 C ATOM 682 C LEU A 43 -0.896 3.411 3.801 1.00 5.56 C ATOM 683 O LEU A 43 -0.402 4.555 3.853 1.00 4.19 O ATOM 684 CB LEU A 43 -1.036 2.271 1.490 1.00 3.74 C ATOM 685 CG LEU A 43 -0.097 1.049 1.682 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.873 -0.263 1.956 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.820 0.997 0.540 1.00 6.41 C ATOM 0 H LEU A 43 -2.650 4.444 1.721 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.306 1.925 3.123 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.756 2.013 0.714 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.432 3.092 1.104 1.00 3.74 H new ATOM 0 HG LEU A 43 0.501 1.168 2.586 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.167 -1.084 2.082 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.466 -0.152 2.864 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.533 -0.478 1.115 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.492 0.146 0.651 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.248 0.890 -0.382 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.404 1.917 0.500 1.00 6.41 H new ATOM 699 N ILE A 44 -0.665 2.594 4.807 1.00 4.58 N ATOM 700 CA ILE A 44 -0.079 2.983 6.090 1.00 5.55 C ATOM 701 C ILE A 44 1.258 2.207 6.254 1.00 5.46 C ATOM 702 O ILE A 44 1.329 1.001 6.154 1.00 6.04 O ATOM 703 CB ILE A 44 -1.127 2.799 7.270 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.489 3.439 7.048 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.424 3.295 8.572 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.458 4.973 7.177 1.00 13.90 C ATOM 0 H ILE A 44 -0.886 1.599 4.760 1.00 4.58 H new ATOM 0 HA ILE A 44 0.162 4.045 6.125 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.392 1.744 7.337 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.854 3.170 6.057 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.198 3.033 7.770 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.105 3.189 9.416 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.471 2.700 8.751 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.146 4.343 8.459 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.458 5.373 7.008 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.121 5.247 8.177 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.773 5.387 6.437 1.00 13.90 H new ATOM 718 N PHE A 45 2.326 2.833 6.676 1.00 6.75 N ATOM 719 CA PHE A 45 3.498 2.109 7.241 1.00 4.70 C ATOM 720 C PHE A 45 3.772 2.628 8.682 1.00 6.34 C ATOM 721 O PHE A 45 4.283 3.768 8.789 1.00 5.45 O ATOM 722 CB PHE A 45 4.771 2.343 6.361 1.00 5.51 C ATOM 723 CG PHE A 45 5.993 1.589 6.960 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.957 0.232 7.182 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.139 2.314 7.270 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.010 -0.445 7.801 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.207 1.624 7.870 1.00 6.64 C ATOM 728 CZ PHE A 45 8.137 0.273 8.207 1.00 6.84 C ATOM 0 H PHE A 45 2.434 3.847 6.650 1.00 6.75 H new ATOM 0 HA PHE A 45 3.275 1.042 7.258 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.586 1.998 5.344 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.988 3.410 6.301 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.088 -0.327 6.868 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.206 3.371 7.057 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.953 -1.511 7.964 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.119 2.163 8.078 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.930 -0.204 8.765 1.00 6.84 H new ATOM 738 N ALA A 46 3.622 1.815 9.776 1.00 6.53 N ATOM 739 CA ALA A 46 3.836 2.124 11.193 1.00 7.15 C ATOM 740 C ALA A 46 3.263 3.481 11.651 1.00 9.00 C ATOM 741 O ALA A 46 3.952 4.316 12.228 1.00 11.15 O ATOM 742 CB ALA A 46 5.377 2.083 11.284 1.00 8.99 C ATOM 0 H ALA A 46 3.322 0.848 9.657 1.00 6.53 H new ATOM 0 HA ALA A 46 3.317 1.430 11.853 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.687 2.300 12.306 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.732 1.093 10.999 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.801 2.828 10.611 1.00 8.99 H new ATOM 748 N GLY A 47 1.969 3.661 11.422 1.00 9.35 N ATOM 749 CA GLY A 47 1.259 4.947 11.507 1.00 11.68 C ATOM 750 C GLY A 47 1.333 5.987 10.476 1.00 11.14 C ATOM 751 O GLY A 47 0.659 6.984 10.517 1.00 13.93 O ATOM 0 H GLY A 47 1.354 2.890 11.161 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.202 4.706 11.623 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.583 5.414 12.437 1.00 11.68 H new ATOM 755 N LYS A 48 2.245 5.855 9.490 1.00 10.47 N ATOM 756 CA LYS A 48 2.576 6.974 8.614 1.00 8.82 C ATOM 757 C LYS A 48 1.760 6.829 7.386 1.00 7.68 C ATOM 758 O LYS A 48 1.761 5.792 6.746 1.00 6.47 O ATOM 759 CB LYS A 48 4.061 6.951 8.340 1.00 9.74 C ATOM 760 CG LYS A 48 4.640 8.044 7.380 1.00 14.14 C ATOM 761 CD LYS A 48 4.257 9.486 7.782 1.00 16.32 C ATOM 762 CE LYS A 48 5.093 10.546 7.168 1.00 20.04 C ATOM 763 NZ LYS A 48 4.674 11.850 7.626 1.00 23.92 N ATOM 0 H LYS A 48 2.753 4.993 9.290 1.00 10.47 H new ATOM 0 HA LYS A 48 2.350 7.941 9.064 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.580 7.034 9.295 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.311 5.974 7.926 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.726 7.958 7.358 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.285 7.851 6.368 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.216 9.660 7.509 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.321 9.575 8.866 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.140 10.384 7.422 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.017 10.494 6.082 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.270 12.580 7.186 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 3.681 12.008 7.362 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.769 11.902 8.660 1.00 23.92 H new ATOM 777 N GLN A 49 1.065 7.929 7.033 1.00 8.89 N ATOM 778 CA GLN A 49 0.086 7.856 5.938 1.00 7.18 C ATOM 779 C GLN A 49 0.760 8.115 4.609 1.00 8.23 C ATOM 780 O GLN A 49 0.979 9.260 4.136 1.00 9.70 O ATOM 781 CB GLN A 49 -0.961 8.906 6.168 1.00 11.67 C ATOM 782 CG GLN A 49 -1.913 8.650 7.360 1.00 15.82 C ATOM 783 CD GLN A 49 -2.523 9.953 7.777 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.085 10.625 8.690 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.620 10.346 7.096 1.00 20.67 N ATOM 0 H GLN A 49 1.159 8.844 7.473 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.361 6.862 5.917 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.463 9.863 6.323 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.560 9.002 5.262 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.692 7.942 7.076 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.366 8.206 8.192 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.978 9.773 6.332 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.091 11.216 7.346 1.00 20.67 H new ATOM 794 N LEU A 50 1.169 7.040 3.925 1.00 6.51 N ATOM 795 CA LEU A 50 1.789 7.043 2.654 1.00 7.41 C ATOM 796 C LEU A 50 0.887 7.613 1.566 1.00 8.27 C ATOM 797 O LEU A 50 -0.194 7.081 1.438 1.00 8.34 O ATOM 798 CB LEU A 50 2.306 5.609 2.169 1.00 7.13 C ATOM 799 CG LEU A 50 2.963 4.905 3.396 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.410 3.507 2.834 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.199 5.501 4.095 1.00 9.11 C ATOM 0 H LEU A 50 1.054 6.097 4.295 1.00 6.51 H new ATOM 0 HA LEU A 50 2.657 7.687 2.799 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.478 5.014 1.784 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.026 5.716 1.358 1.00 7.13 H new ATOM 0 HG LEU A 50 2.207 4.963 4.179 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.887 2.932 3.627 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.537 2.966 2.468 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.116 3.652 2.016 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.495 4.856 4.922 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.020 5.576 3.382 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.958 6.493 4.476 1.00 9.11 H new ATOM 813 N GLU A 51 1.315 8.592 0.761 1.00 9.43 N ATOM 814 CA GLU A 51 0.402 9.145 -0.261 1.00 11.90 C ATOM 815 C GLU A 51 0.677 8.496 -1.601 1.00 11.49 C ATOM 816 O GLU A 51 1.728 7.890 -1.923 1.00 9.88 O ATOM 817 CB GLU A 51 0.676 10.604 -0.312 1.00 16.56 C ATOM 818 CG GLU A 51 0.702 11.271 1.056 1.00 26.06 C ATOM 819 CD GLU A 51 0.612 12.781 0.990 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.609 13.485 0.646 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.498 13.322 1.272 1.00 33.44 O ATOM 0 H GLU A 51 2.246 9.007 0.788 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.644 8.954 -0.019 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.635 10.767 -0.804 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.084 11.086 -0.927 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.127 10.891 1.653 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.621 10.991 1.571 1.00 26.06 H new ATOM 828 N ASP A 52 -0.325 8.583 -2.514 1.00 12.71 N ATOM 829 CA ASP A 52 -0.405 7.983 -3.811 1.00 16.56 C ATOM 830 C ASP A 52 0.777 8.270 -4.756 1.00 15.83 C ATOM 831 O ASP A 52 1.254 7.363 -5.426 1.00 17.21 O ATOM 832 CB ASP A 52 -1.607 8.419 -4.527 1.00 21.05 C ATOM 833 CG ASP A 52 -2.873 8.147 -3.728 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.111 8.857 -2.738 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.642 7.355 -4.249 1.00 25.82 O ATOM 0 H ASP A 52 -1.160 9.133 -2.312 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.409 6.918 -3.580 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.535 9.485 -4.742 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.665 7.904 -5.486 1.00 21.05 H new ATOM 840 N GLY A 53 1.166 9.530 -4.799 1.00 15.00 N ATOM 841 CA GLY A 53 2.191 10.061 -5.715 1.00 11.77 C ATOM 842 C GLY A 53 3.641 9.805 -5.414 1.00 11.10 C ATOM 843 O GLY A 53 4.553 10.266 -6.052 1.00 11.25 O ATOM 0 H GLY A 53 0.774 10.244 -4.185 1.00 15.00 H new ATOM 0 HA2 GLY A 53 1.985 9.659 -6.707 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.053 11.141 -5.773 1.00 11.77 H new ATOM 847 N ARG A 54 3.899 9.083 -4.309 1.00 8.53 N ATOM 848 CA ARG A 54 5.232 8.964 -3.699 1.00 9.05 C ATOM 849 C ARG A 54 5.623 7.510 -3.755 1.00 8.96 C ATOM 850 O ARG A 54 4.844 6.628 -3.883 1.00 11.60 O ATOM 851 CB ARG A 54 5.174 9.423 -2.275 1.00 7.97 C ATOM 852 CG ARG A 54 4.763 10.892 -2.121 1.00 9.62 C ATOM 853 CD ARG A 54 5.777 11.883 -2.611 1.00 12.20 C ATOM 854 NE ARG A 54 5.252 13.203 -2.152 1.00 18.23 N ATOM 855 CZ ARG A 54 5.602 14.434 -2.548 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.404 14.639 -3.616 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.143 15.416 -1.836 1.00 23.38 N ATOM 0 H ARG A 54 3.179 8.561 -3.810 1.00 8.53 H new ATOM 0 HA ARG A 54 5.960 9.578 -4.229 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.468 8.798 -1.729 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.151 9.277 -1.815 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.829 11.052 -2.660 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.561 11.090 -1.068 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.764 11.681 -2.195 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.875 11.849 -3.696 1.00 12.20 H new ATOM 0 HE ARG A 54 4.526 13.162 -1.437 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.761 13.844 -4.146 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.652 15.589 -3.892 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.552 15.226 -1.027 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.373 16.378 -2.085 1.00 23.38 H new ATOM 871 N THR A 55 6.971 7.248 -3.696 1.00 9.05 N ATOM 872 CA THR A 55 7.480 5.859 -3.789 1.00 9.03 C ATOM 873 C THR A 55 7.713 5.248 -2.452 1.00 8.15 C ATOM 874 O THR A 55 7.737 5.862 -1.403 1.00 5.91 O ATOM 875 CB THR A 55 8.779 5.730 -4.606 1.00 11.15 C ATOM 876 OG1 THR A 55 9.912 6.331 -3.986 1.00 11.95 O ATOM 877 CG2 THR A 55 8.642 6.451 -5.965 1.00 11.71 C ATOM 0 H THR A 55 7.692 7.961 -3.588 1.00 9.05 H new ATOM 0 HA THR A 55 6.686 5.324 -4.310 1.00 9.03 H new ATOM 0 HB THR A 55 8.930 4.655 -4.701 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.776 7.300 -3.925 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.570 6.348 -6.527 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.824 6.007 -6.532 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.435 7.508 -5.797 1.00 11.71 H new ATOM 885 N LEU A 56 7.921 3.923 -2.478 1.00 6.91 N ATOM 886 CA LEU A 56 8.432 3.198 -1.310 1.00 8.29 C ATOM 887 C LEU A 56 9.799 3.730 -0.900 1.00 8.05 C ATOM 888 O LEU A 56 9.983 3.962 0.273 1.00 10.17 O ATOM 889 CB LEU A 56 8.510 1.659 -1.512 1.00 6.60 C ATOM 890 CG LEU A 56 7.093 0.982 -1.762 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.239 -0.491 -2.066 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.124 1.145 -0.549 1.00 8.64 C ATOM 0 H LEU A 56 7.743 3.336 -3.293 1.00 6.91 H new ATOM 0 HA LEU A 56 7.707 3.375 -0.515 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.162 1.444 -2.359 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.970 1.208 -0.633 1.00 6.60 H new ATOM 0 HG LEU A 56 6.664 1.502 -2.619 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.254 -0.928 -2.232 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.849 -0.619 -2.960 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.720 -0.990 -1.225 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.173 0.664 -0.776 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.564 0.680 0.333 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.958 2.205 -0.356 1.00 8.64 H new ATOM 904 N SER A 57 10.757 3.963 -1.796 1.00 8.92 N ATOM 905 CA SER A 57 12.066 4.466 -1.536 1.00 9.00 C ATOM 906 C SER A 57 12.042 5.871 -0.895 1.00 9.44 C ATOM 907 O SER A 57 12.849 6.161 -0.001 1.00 10.91 O ATOM 908 CB SER A 57 13.034 4.511 -2.718 1.00 10.32 C ATOM 909 OG SER A 57 14.431 4.696 -2.284 1.00 13.59 O ATOM 0 H SER A 57 10.607 3.786 -2.789 1.00 8.92 H new ATOM 0 HA SER A 57 12.450 3.716 -0.845 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.952 3.586 -3.289 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.752 5.324 -3.386 1.00 10.32 H new ATOM 0 HG SER A 57 15.017 4.718 -3.069 1.00 13.59 H new ATOM 915 N ASP A 58 10.968 6.702 -1.278 1.00 9.11 N ATOM 916 CA ASP A 58 10.773 7.993 -0.680 1.00 7.91 C ATOM 917 C ASP A 58 10.502 7.840 0.872 1.00 9.12 C ATOM 918 O ASP A 58 10.934 8.649 1.694 1.00 8.61 O ATOM 919 CB ASP A 58 9.564 8.776 -1.226 1.00 8.41 C ATOM 920 CG ASP A 58 9.899 9.275 -2.588 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.818 10.189 -2.646 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.190 8.909 -3.534 1.00 11.70 O ATOM 0 H ASP A 58 10.276 6.453 -1.984 1.00 9.11 H new ATOM 0 HA ASP A 58 11.688 8.537 -0.914 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.683 8.135 -1.264 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.323 9.609 -0.566 1.00 8.41 H new ATOM 927 N TYR A 59 9.801 6.839 1.343 1.00 7.97 N ATOM 928 CA TYR A 59 9.580 6.632 2.777 1.00 8.45 C ATOM 929 C TYR A 59 10.447 5.561 3.412 1.00 10.98 C ATOM 930 O TYR A 59 10.282 5.144 4.564 1.00 12.95 O ATOM 931 CB TYR A 59 8.152 6.060 2.835 1.00 7.94 C ATOM 932 CG TYR A 59 7.131 7.052 2.423 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.021 8.183 3.272 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.324 6.949 1.268 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.000 9.092 3.107 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.357 7.972 1.100 1.00 6.52 C ATOM 937 CZ TYR A 59 5.083 8.986 2.050 1.00 6.76 C ATOM 938 OH TYR A 59 4.055 9.901 1.848 1.00 7.63 O ATOM 0 H TYR A 59 9.360 6.135 0.751 1.00 7.97 H new ATOM 0 HA TYR A 59 9.785 7.567 3.298 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.087 5.185 2.188 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.939 5.723 3.849 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.747 8.333 4.057 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.437 6.143 0.558 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.902 9.907 3.809 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.789 7.979 0.182 1.00 6.52 H new ATOM 0 HH TYR A 59 4.062 10.200 0.915 1.00 7.63 H new ATOM 948 N ASN A 60 11.533 5.157 2.667 1.00 12.38 N ATOM 949 CA ASN A 60 12.683 4.371 3.077 1.00 13.94 C ATOM 950 C ASN A 60 12.254 3.014 3.545 1.00 14.16 C ATOM 951 O ASN A 60 12.774 2.528 4.582 1.00 14.26 O ATOM 952 CB ASN A 60 13.601 5.139 4.159 1.00 19.23 C ATOM 953 CG ASN A 60 14.045 6.560 3.879 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.466 7.570 4.246 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.117 6.656 3.039 1.00 24.09 N ATOM 0 H ASN A 60 11.601 5.412 1.682 1.00 12.38 H new ATOM 0 HA ASN A 60 13.319 4.232 2.203 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.058 5.146 5.104 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.498 4.539 4.312 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.434 7.571 2.719 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.601 5.813 2.732 1.00 24.09 H new ATOM 962 N ILE A 61 11.315 2.340 2.852 1.00 11.08 N ATOM 963 CA ILE A 61 10.696 1.075 3.267 1.00 11.78 C ATOM 964 C ILE A 61 11.411 -0.101 2.718 1.00 13.74 C ATOM 965 O ILE A 61 11.675 -0.233 1.555 1.00 14.60 O ATOM 966 CB ILE A 61 9.127 0.958 2.916 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.419 2.139 3.590 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.520 -0.334 3.427 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.997 2.364 3.061 1.00 11.42 C ATOM 0 H ILE A 61 10.958 2.677 1.958 1.00 11.08 H new ATOM 0 HA ILE A 61 10.782 1.081 4.354 1.00 11.78 H new ATOM 0 HB ILE A 61 9.006 0.968 1.833 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.378 1.966 4.665 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.006 3.044 3.435 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.462 -0.367 3.167 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.032 -1.182 2.972 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.629 -0.383 4.510 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.547 3.213 3.576 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.035 2.567 1.991 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.397 1.472 3.240 1.00 11.42 H new ATOM 981 N GLN A 62 11.721 -1.021 3.615 1.00 13.97 N ATOM 982 CA GLN A 62 12.547 -2.171 3.381 1.00 15.52 C ATOM 983 C GLN A 62 11.871 -3.491 2.998 1.00 13.94 C ATOM 984 O GLN A 62 10.655 -3.646 3.208 1.00 12.15 O ATOM 985 CB GLN A 62 13.381 -2.465 4.639 1.00 19.53 C ATOM 986 CG GLN A 62 14.270 -1.274 4.961 1.00 26.38 C ATOM 987 CD GLN A 62 15.190 -1.421 6.070 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.178 -2.446 6.790 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.059 -0.408 6.292 1.00 32.71 N ATOM 0 H GLN A 62 11.380 -0.974 4.575 1.00 13.97 H new ATOM 0 HA GLN A 62 13.117 -1.869 2.503 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.722 -2.676 5.481 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.992 -3.354 4.481 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.849 -1.033 4.070 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.628 -0.417 5.165 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.047 0.415 5.690 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.726 -0.468 7.061 1.00 32.71 H new ATOM 998 N LYS A 63 12.591 -4.469 2.349 1.00 11.73 N ATOM 999 CA LYS A 63 12.063 -5.774 2.053 1.00 11.97 C ATOM 1000 C LYS A 63 11.701 -6.618 3.267 1.00 10.41 C ATOM 1001 O LYS A 63 12.370 -6.593 4.342 1.00 9.59 O ATOM 1002 CB LYS A 63 13.137 -6.454 1.180 1.00 13.73 C ATOM 1003 CG LYS A 63 14.455 -6.886 1.828 1.00 16.98 C ATOM 1004 CD LYS A 63 15.362 -7.502 0.783 1.00 20.19 C ATOM 1005 CE LYS A 63 16.793 -7.834 1.261 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.757 -8.642 2.500 1.00 25.97 N ATOM 0 H LYS A 63 13.551 -4.336 2.032 1.00 11.73 H new ATOM 0 HA LYS A 63 11.104 -5.671 1.545 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.685 -7.339 0.732 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.379 -5.772 0.365 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.944 -6.027 2.287 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.261 -7.605 2.624 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.898 -8.418 0.417 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.429 -6.819 -0.064 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.325 -8.379 0.481 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.346 -6.911 1.439 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.720 -8.954 2.739 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.376 -8.067 3.278 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.150 -9.474 2.355 1.00 25.97 H new ATOM 1020 N GLU A 64 10.594 -7.398 3.179 1.00 10.04 N ATOM 1021 CA GLU A 64 10.072 -8.262 4.245 1.00 10.94 C ATOM 1022 C GLU A 64 9.482 -7.401 5.391 1.00 9.74 C ATOM 1023 O GLU A 64 9.771 -7.605 6.585 1.00 9.42 O ATOM 1024 CB GLU A 64 10.978 -9.349 4.745 1.00 18.31 C ATOM 1025 CG GLU A 64 11.556 -10.266 3.602 1.00 24.16 C ATOM 1026 CD GLU A 64 12.427 -11.364 4.159 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.584 -11.466 5.428 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.954 -12.135 3.299 1.00 32.61 O ATOM 0 H GLU A 64 10.028 -7.437 2.331 1.00 10.04 H new ATOM 0 HA GLU A 64 9.278 -8.838 3.770 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.807 -8.897 5.290 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.430 -9.969 5.454 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.734 -10.704 3.036 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.135 -9.659 2.906 1.00 24.16 H new ATOM 1035 N SER A 65 8.606 -6.419 5.070 1.00 6.85 N ATOM 1036 CA SER A 65 8.053 -5.510 6.068 1.00 6.90 C ATOM 1037 C SER A 65 6.562 -5.534 5.946 1.00 4.72 C ATOM 1038 O SER A 65 5.986 -5.789 4.928 1.00 3.91 O ATOM 1039 CB SER A 65 8.560 -4.062 5.969 1.00 7.28 C ATOM 1040 OG SER A 65 9.956 -4.010 5.870 1.00 10.56 O ATOM 0 H SER A 65 8.274 -6.247 4.121 1.00 6.85 H new ATOM 0 HA SER A 65 8.390 -5.865 7.042 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.115 -3.579 5.099 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.236 -3.502 6.846 1.00 7.28 H new ATOM 0 HG SER A 65 10.213 -3.867 4.935 1.00 10.56 H new ATOM 1046 N THR A 66 5.911 -5.212 7.037 1.00 4.48 N ATOM 1047 CA THR A 66 4.504 -5.193 7.222 1.00 3.80 C ATOM 1048 C THR A 66 3.906 -3.828 7.005 1.00 4.60 C ATOM 1049 O THR A 66 4.182 -2.929 7.788 1.00 5.33 O ATOM 1050 CB THR A 66 4.164 -5.810 8.533 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.587 -7.112 8.552 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.649 -5.842 8.780 1.00 3.40 C ATOM 0 H THR A 66 6.407 -4.935 7.884 1.00 4.48 H new ATOM 0 HA THR A 66 4.037 -5.803 6.449 1.00 3.80 H new ATOM 0 HB THR A 66 4.651 -5.206 9.298 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.364 -7.516 9.417 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.448 -6.301 9.748 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.257 -4.825 8.772 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.165 -6.423 7.995 1.00 3.40 H new ATOM 1060 N LEU A 67 3.121 -3.609 5.952 1.00 4.17 N ATOM 1061 CA LEU A 67 2.489 -2.388 5.706 1.00 3.85 C ATOM 1062 C LEU A 67 0.991 -2.639 6.076 1.00 3.80 C ATOM 1063 O LEU A 67 0.483 -3.776 6.167 1.00 5.54 O ATOM 1064 CB LEU A 67 2.648 -1.852 4.233 1.00 7.18 C ATOM 1065 CG LEU A 67 4.033 -1.339 3.753 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.025 -2.475 3.677 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.001 -0.640 2.401 1.00 11.66 C ATOM 0 H LEU A 67 2.924 -4.320 5.247 1.00 4.17 H new ATOM 0 HA LEU A 67 2.949 -1.598 6.300 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.345 -2.653 3.559 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.935 -1.038 4.102 1.00 7.18 H new ATOM 0 HG LEU A 67 4.336 -0.602 4.497 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.989 -2.094 3.339 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.139 -2.925 4.663 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.665 -3.226 2.974 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.006 -0.312 2.137 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.634 -1.332 1.642 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.339 0.225 2.454 1.00 11.66 H new ATOM 1079 N HIS A 68 0.225 -1.577 6.274 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.175 -1.693 6.755 1.00 4.17 C ATOM 1081 C HIS A 68 -2.070 -1.007 5.773 1.00 5.32 C ATOM 1082 O HIS A 68 -1.795 0.093 5.299 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.327 -1.083 8.222 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.006 -2.033 9.302 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.286 -2.292 9.790 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.819 -2.868 10.025 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.154 -3.206 10.754 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.107 -3.632 10.970 1.00 16.30 N ATOM 0 H HIS A 68 0.534 -0.618 6.114 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.460 -2.743 6.825 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.676 -0.213 8.312 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.350 -0.731 8.354 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.888 -2.933 9.885 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.996 -3.577 11.320 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.452 -4.322 11.638 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.141 -1.668 5.374 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.176 -1.043 4.581 1.00 3.97 C ATOM 1098 C LEU A 69 -5.390 -0.758 5.401 1.00 5.07 C ATOM 1099 O LEU A 69 -5.962 -1.580 6.099 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.427 -1.943 3.362 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.506 -1.496 2.367 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.178 -0.172 1.681 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.617 -2.481 1.233 1.00 9.96 C ATOM 0 H LEU A 69 -3.315 -2.649 5.591 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.866 -0.062 4.220 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.488 -2.044 2.818 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.693 -2.936 3.725 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.415 -1.412 2.963 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.980 0.088 0.990 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.077 0.612 2.432 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.242 -0.269 1.131 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.387 -2.149 0.537 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.661 -2.547 0.713 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.883 -3.462 1.628 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.883 0.449 5.257 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.144 0.886 5.885 1.00 6.26 C ATOM 1117 C VAL A 70 -7.936 1.600 4.796 1.00 9.22 C ATOM 1118 O VAL A 70 -7.440 2.200 3.837 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.965 1.866 7.048 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.272 1.114 8.138 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.172 3.145 6.786 1.00 8.54 C ATOM 0 H VAL A 70 -5.430 1.174 4.700 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.635 0.005 6.298 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.969 2.221 7.282 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.120 1.772 8.994 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.883 0.263 8.438 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.307 0.759 7.778 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.129 3.740 7.699 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.160 2.888 6.472 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.660 3.721 6.000 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.267 1.345 4.854 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.112 1.659 3.728 1.00 16.06 C ATOM 1133 C LEU A 71 -11.011 2.868 4.038 1.00 18.09 C ATOM 1134 O LEU A 71 -11.653 2.910 5.128 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.969 0.473 3.219 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.197 -0.740 2.570 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.234 -1.685 1.938 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.158 -0.393 1.538 1.00 19.57 C ATOM 0 H LEU A 71 -9.746 0.934 5.655 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.427 1.904 2.916 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.554 0.093 4.057 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.677 0.857 2.484 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.635 -1.198 3.384 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.723 -2.533 1.482 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.916 -2.044 2.708 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.798 -1.148 1.175 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.696 -1.307 1.165 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.629 0.139 0.712 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.395 0.241 1.989 1.00 19.57 H new