USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 950 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 THR OG1 : rot 50:sc= 0.526 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0951 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 1.31 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 14:sc= 0.461 USER MOD Single : A 6 SER OG : rot 21:sc= 1.27 USER MOD Single : A 8 THR OG1 : rot 34:sc= 0.111 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0262) USER MOD Single : A 29 HIS : no HD1:sc= -5.44! X(o=-5.4!,f=-5.5) USER MOD Single : A 32 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.2!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 49 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.2!) USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= -0.0331 (180deg=-0.278) USER MOD Single : A 55 GLN : amide:sc= -0.0224 X(o=-0.022,f=-0.0081) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 60 LYS NZ :NH3+ -120:sc= 0.349 (180deg=-0.157) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot -151:sc= 0.484 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -104:sc= 0.984 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 160:sc= -2.04! USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 102 ASN : amide:sc= -0.711 K(o=-0.71,f=-1.8) USER MOD Single : A 103 MET CE :methyl -130:sc= -1.13 (180deg=-1.39) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 75.034 -7.839 -19.606 1.00 0.00 N ATOM 2 CA GLY A 1 73.694 -7.351 -19.340 1.00 0.00 C ATOM 3 C GLY A 1 72.970 -8.182 -18.299 1.00 0.00 C ATOM 4 O GLY A 1 73.573 -9.032 -17.645 1.00 0.00 O ATOM 0 H1 GLY A 1 75.717 -7.064 -19.482 1.00 0.00 H new ATOM 0 H2 GLY A 1 75.260 -8.610 -18.945 1.00 0.00 H new ATOM 0 H3 GLY A 1 75.087 -8.193 -20.582 1.00 0.00 H new ATOM 0 HA2 GLY A 1 73.748 -6.316 -19.001 1.00 0.00 H new ATOM 0 HA3 GLY A 1 73.119 -7.353 -20.266 1.00 0.00 H new ATOM 8 N SER A 2 71.673 -7.935 -18.144 1.00 0.00 N ATOM 9 CA SER A 2 70.867 -8.663 -17.171 1.00 0.00 C ATOM 10 C SER A 2 69.391 -8.305 -17.311 1.00 0.00 C ATOM 11 O SER A 2 69.029 -7.405 -18.069 1.00 0.00 O ATOM 12 CB SER A 2 71.345 -8.357 -15.750 1.00 0.00 C ATOM 13 OG SER A 2 72.364 -9.257 -15.350 1.00 0.00 O ATOM 0 H SER A 2 71.158 -7.236 -18.680 1.00 0.00 H new ATOM 0 HA SER A 2 70.984 -9.729 -17.365 1.00 0.00 H new ATOM 0 HB2 SER A 2 71.719 -7.334 -15.701 1.00 0.00 H new ATOM 0 HB3 SER A 2 70.505 -8.423 -15.058 1.00 0.00 H new ATOM 0 HG SER A 2 72.885 -9.530 -16.134 1.00 0.00 H new ATOM 19 N SER A 3 68.543 -9.015 -16.575 1.00 0.00 N ATOM 20 CA SER A 3 67.105 -8.776 -16.619 1.00 0.00 C ATOM 21 C SER A 3 66.411 -9.417 -15.421 1.00 0.00 C ATOM 22 O SER A 3 67.044 -10.090 -14.609 1.00 0.00 O ATOM 23 CB SER A 3 66.515 -9.325 -17.919 1.00 0.00 C ATOM 24 OG SER A 3 66.349 -10.731 -17.850 1.00 0.00 O ATOM 0 H SER A 3 68.827 -9.761 -15.940 1.00 0.00 H new ATOM 0 HA SER A 3 66.939 -7.699 -16.580 1.00 0.00 H new ATOM 0 HB2 SER A 3 65.553 -8.851 -18.114 1.00 0.00 H new ATOM 0 HB3 SER A 3 67.169 -9.073 -18.754 1.00 0.00 H new ATOM 0 HG SER A 3 65.969 -11.057 -18.692 1.00 0.00 H new ATOM 30 N GLY A 4 65.103 -9.201 -15.318 1.00 0.00 N ATOM 31 CA GLY A 4 64.343 -9.763 -14.217 1.00 0.00 C ATOM 32 C GLY A 4 62.846 -9.626 -14.416 1.00 0.00 C ATOM 33 O GLY A 4 62.396 -8.976 -15.359 1.00 0.00 O ATOM 0 H GLY A 4 64.556 -8.647 -15.977 1.00 0.00 H new ATOM 0 HA2 GLY A 4 64.597 -10.817 -14.105 1.00 0.00 H new ATOM 0 HA3 GLY A 4 64.630 -9.266 -13.290 1.00 0.00 H new ATOM 37 N SER A 5 62.074 -10.241 -13.526 1.00 0.00 N ATOM 38 CA SER A 5 60.619 -10.189 -13.611 1.00 0.00 C ATOM 39 C SER A 5 59.988 -10.355 -12.232 1.00 0.00 C ATOM 40 O SER A 5 60.649 -10.769 -11.280 1.00 0.00 O ATOM 41 CB SER A 5 60.104 -11.278 -14.555 1.00 0.00 C ATOM 42 OG SER A 5 60.334 -10.930 -15.909 1.00 0.00 O ATOM 0 H SER A 5 62.432 -10.781 -12.738 1.00 0.00 H new ATOM 0 HA SER A 5 60.337 -9.213 -14.005 1.00 0.00 H new ATOM 0 HB2 SER A 5 60.599 -12.223 -14.330 1.00 0.00 H new ATOM 0 HB3 SER A 5 59.037 -11.430 -14.392 1.00 0.00 H new ATOM 0 HG SER A 5 60.962 -10.179 -15.952 1.00 0.00 H new ATOM 48 N SER A 6 58.703 -10.029 -12.134 1.00 0.00 N ATOM 49 CA SER A 6 57.981 -10.138 -10.871 1.00 0.00 C ATOM 50 C SER A 6 56.493 -9.868 -11.071 1.00 0.00 C ATOM 51 O SER A 6 56.104 -9.083 -11.935 1.00 0.00 O ATOM 52 CB SER A 6 58.556 -9.158 -9.846 1.00 0.00 C ATOM 53 OG SER A 6 59.651 -9.731 -9.152 1.00 0.00 O ATOM 0 H SER A 6 58.141 -9.687 -12.913 1.00 0.00 H new ATOM 0 HA SER A 6 58.100 -11.155 -10.498 1.00 0.00 H new ATOM 0 HB2 SER A 6 58.877 -8.247 -10.350 1.00 0.00 H new ATOM 0 HB3 SER A 6 57.780 -8.873 -9.136 1.00 0.00 H new ATOM 0 HG SER A 6 60.023 -10.468 -9.680 1.00 0.00 H new ATOM 59 N GLY A 7 55.665 -10.525 -10.264 1.00 0.00 N ATOM 60 CA GLY A 7 54.229 -10.343 -10.367 1.00 0.00 C ATOM 61 C GLY A 7 53.695 -9.355 -9.350 1.00 0.00 C ATOM 62 O GLY A 7 54.197 -9.274 -8.228 1.00 0.00 O ATOM 0 H GLY A 7 55.963 -11.180 -9.541 1.00 0.00 H new ATOM 0 HA2 GLY A 7 53.981 -9.997 -11.370 1.00 0.00 H new ATOM 0 HA3 GLY A 7 53.733 -11.304 -10.230 1.00 0.00 H new ATOM 66 N THR A 8 52.674 -8.599 -9.741 1.00 0.00 N ATOM 67 CA THR A 8 52.073 -7.609 -8.856 1.00 0.00 C ATOM 68 C THR A 8 50.601 -7.914 -8.608 1.00 0.00 C ATOM 69 O THR A 8 49.829 -8.106 -9.549 1.00 0.00 O ATOM 70 CB THR A 8 52.200 -6.187 -9.435 1.00 0.00 C ATOM 71 OG1 THR A 8 51.705 -6.159 -10.778 1.00 0.00 O ATOM 72 CG2 THR A 8 53.649 -5.721 -9.413 1.00 0.00 C ATOM 0 H THR A 8 52.246 -8.654 -10.665 1.00 0.00 H new ATOM 0 HA THR A 8 52.616 -7.659 -7.912 1.00 0.00 H new ATOM 0 HB THR A 8 51.608 -5.512 -8.816 1.00 0.00 H new ATOM 0 HG1 THR A 8 50.960 -6.790 -10.865 1.00 0.00 H new ATOM 0 HG21 THR A 8 53.714 -4.715 -9.827 1.00 0.00 H new ATOM 0 HG22 THR A 8 54.014 -5.715 -8.386 1.00 0.00 H new ATOM 0 HG23 THR A 8 54.258 -6.399 -10.011 1.00 0.00 H new ATOM 80 N LEU A 9 50.216 -7.958 -7.337 1.00 0.00 N ATOM 81 CA LEU A 9 48.834 -8.240 -6.966 1.00 0.00 C ATOM 82 C LEU A 9 48.488 -7.595 -5.627 1.00 0.00 C ATOM 83 O LEU A 9 49.356 -7.401 -4.778 1.00 0.00 O ATOM 84 CB LEU A 9 48.603 -9.750 -6.892 1.00 0.00 C ATOM 85 CG LEU A 9 48.293 -10.447 -8.218 1.00 0.00 C ATOM 86 CD1 LEU A 9 48.518 -11.946 -8.098 1.00 0.00 C ATOM 87 CD2 LEU A 9 46.866 -10.153 -8.655 1.00 0.00 C ATOM 0 H LEU A 9 50.841 -7.802 -6.546 1.00 0.00 H new ATOM 0 HA LEU A 9 48.184 -7.817 -7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 9 49.490 -10.213 -6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 9 47.779 -9.938 -6.204 1.00 0.00 H new ATOM 0 HG LEU A 9 48.971 -10.058 -8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 9 48.293 -12.425 -9.051 1.00 0.00 H new ATOM 0 HD12 LEU A 9 49.558 -12.138 -7.832 1.00 0.00 H new ATOM 0 HD13 LEU A 9 47.865 -12.351 -7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 9 46.664 -10.657 -9.600 1.00 0.00 H new ATOM 0 HD22 LEU A 9 46.172 -10.513 -7.896 1.00 0.00 H new ATOM 0 HD23 LEU A 9 46.739 -9.078 -8.783 1.00 0.00 H new ATOM 99 N ALA A 10 47.212 -7.268 -5.446 1.00 0.00 N ATOM 100 CA ALA A 10 46.750 -6.650 -4.209 1.00 0.00 C ATOM 101 C ALA A 10 45.227 -6.597 -4.157 1.00 0.00 C ATOM 102 O ALA A 10 44.568 -6.444 -5.185 1.00 0.00 O ATOM 103 CB ALA A 10 47.334 -5.252 -4.068 1.00 0.00 C ATOM 0 H ALA A 10 46.480 -7.421 -6.140 1.00 0.00 H new ATOM 0 HA ALA A 10 47.094 -7.262 -3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 10 46.981 -4.802 -3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 10 48.422 -5.312 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 10 47.018 -4.639 -4.912 1.00 0.00 H new ATOM 109 N GLN A 11 44.676 -6.726 -2.955 1.00 0.00 N ATOM 110 CA GLN A 11 43.230 -6.694 -2.771 1.00 0.00 C ATOM 111 C GLN A 11 42.871 -6.265 -1.352 1.00 0.00 C ATOM 112 O GLN A 11 43.002 -7.027 -0.394 1.00 0.00 O ATOM 113 CB GLN A 11 42.627 -8.068 -3.068 1.00 0.00 C ATOM 114 CG GLN A 11 42.860 -8.539 -4.494 1.00 0.00 C ATOM 115 CD GLN A 11 42.235 -9.892 -4.772 1.00 0.00 C ATOM 116 OE1 GLN A 11 42.780 -10.930 -4.396 1.00 0.00 O ATOM 117 NE2 GLN A 11 41.083 -9.888 -5.433 1.00 0.00 N ATOM 0 H GLN A 11 45.208 -6.854 -2.094 1.00 0.00 H new ATOM 0 HA GLN A 11 42.817 -5.965 -3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 11 43.051 -8.798 -2.379 1.00 0.00 H new ATOM 0 HB3 GLN A 11 41.555 -8.034 -2.876 1.00 0.00 H new ATOM 0 HG2 GLN A 11 42.449 -7.804 -5.187 1.00 0.00 H new ATOM 0 HG3 GLN A 11 43.932 -8.592 -4.684 1.00 0.00 H new ATOM 0 HE21 GLN A 11 40.666 -9.004 -5.726 1.00 0.00 H new ATOM 0 HE22 GLN A 11 40.615 -10.769 -5.648 1.00 0.00 H new ATOM 126 N PRO A 12 42.408 -5.014 -1.212 1.00 0.00 N ATOM 127 CA PRO A 12 42.021 -4.454 0.087 1.00 0.00 C ATOM 128 C PRO A 12 40.749 -5.091 0.637 1.00 0.00 C ATOM 129 O PRO A 12 39.817 -5.386 -0.111 1.00 0.00 O ATOM 130 CB PRO A 12 41.786 -2.973 -0.221 1.00 0.00 C ATOM 131 CG PRO A 12 41.442 -2.937 -1.670 1.00 0.00 C ATOM 132 CD PRO A 12 42.226 -4.049 -2.309 1.00 0.00 C ATOM 0 HA PRO A 12 42.780 -4.630 0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 12 40.979 -2.565 0.388 1.00 0.00 H new ATOM 0 HB3 PRO A 12 42.675 -2.379 -0.010 1.00 0.00 H new ATOM 0 HG2 PRO A 12 40.372 -3.078 -1.821 1.00 0.00 H new ATOM 0 HG3 PRO A 12 41.702 -1.974 -2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 12 41.687 -4.491 -3.147 1.00 0.00 H new ATOM 0 HD3 PRO A 12 43.182 -3.696 -2.696 1.00 0.00 H new ATOM 140 N VAL A 13 40.718 -5.302 1.949 1.00 0.00 N ATOM 141 CA VAL A 13 39.560 -5.903 2.599 1.00 0.00 C ATOM 142 C VAL A 13 38.449 -4.878 2.802 1.00 0.00 C ATOM 143 O VAL A 13 38.708 -3.727 3.156 1.00 0.00 O ATOM 144 CB VAL A 13 39.935 -6.513 3.963 1.00 0.00 C ATOM 145 CG1 VAL A 13 38.708 -7.101 4.641 1.00 0.00 C ATOM 146 CG2 VAL A 13 41.018 -7.568 3.794 1.00 0.00 C ATOM 0 H VAL A 13 41.482 -5.066 2.582 1.00 0.00 H new ATOM 0 HA VAL A 13 39.204 -6.695 1.940 1.00 0.00 H new ATOM 0 HB VAL A 13 40.327 -5.721 4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 13 38.993 -7.527 5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 13 37.967 -6.317 4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 13 38.283 -7.882 4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 13 41.271 -7.989 4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 13 40.655 -8.360 3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 13 41.905 -7.112 3.354 1.00 0.00 H new ATOM 156 N THR A 14 37.210 -5.304 2.575 1.00 0.00 N ATOM 157 CA THR A 14 36.059 -4.423 2.732 1.00 0.00 C ATOM 158 C THR A 14 35.002 -5.055 3.630 1.00 0.00 C ATOM 159 O THR A 14 34.813 -6.272 3.621 1.00 0.00 O ATOM 160 CB THR A 14 35.424 -4.082 1.371 1.00 0.00 C ATOM 161 OG1 THR A 14 36.422 -3.581 0.475 1.00 0.00 O ATOM 162 CG2 THR A 14 34.318 -3.050 1.534 1.00 0.00 C ATOM 0 H THR A 14 36.978 -6.253 2.282 1.00 0.00 H new ATOM 0 HA THR A 14 36.423 -3.506 3.195 1.00 0.00 H new ATOM 0 HB THR A 14 34.992 -4.994 0.959 1.00 0.00 H new ATOM 0 HG1 THR A 14 36.010 -3.368 -0.388 1.00 0.00 H new ATOM 0 HG21 THR A 14 33.884 -2.825 0.560 1.00 0.00 H new ATOM 0 HG22 THR A 14 33.545 -3.446 2.193 1.00 0.00 H new ATOM 0 HG23 THR A 14 34.731 -2.139 1.967 1.00 0.00 H new ATOM 170 N ILE A 15 34.315 -4.221 4.404 1.00 0.00 N ATOM 171 CA ILE A 15 33.275 -4.699 5.306 1.00 0.00 C ATOM 172 C ILE A 15 31.887 -4.436 4.734 1.00 0.00 C ATOM 173 O ILE A 15 31.519 -3.290 4.473 1.00 0.00 O ATOM 174 CB ILE A 15 33.382 -4.034 6.691 1.00 0.00 C ATOM 175 CG1 ILE A 15 34.846 -3.749 7.033 1.00 0.00 C ATOM 176 CG2 ILE A 15 32.747 -4.918 7.754 1.00 0.00 C ATOM 177 CD1 ILE A 15 35.720 -4.983 7.022 1.00 0.00 C ATOM 0 H ILE A 15 34.460 -3.212 4.424 1.00 0.00 H new ATOM 0 HA ILE A 15 33.422 -5.773 5.415 1.00 0.00 H new ATOM 0 HB ILE A 15 32.843 -3.087 6.665 1.00 0.00 H new ATOM 0 HG12 ILE A 15 35.243 -3.026 6.320 1.00 0.00 H new ATOM 0 HG13 ILE A 15 34.897 -3.286 8.019 1.00 0.00 H new ATOM 0 HG21 ILE A 15 32.831 -4.434 8.727 1.00 0.00 H new ATOM 0 HG22 ILE A 15 31.695 -5.075 7.516 1.00 0.00 H new ATOM 0 HG23 ILE A 15 33.260 -5.879 7.782 1.00 0.00 H new ATOM 0 HD11 ILE A 15 36.744 -4.706 7.273 1.00 0.00 H new ATOM 0 HD12 ILE A 15 35.348 -5.699 7.755 1.00 0.00 H new ATOM 0 HD13 ILE A 15 35.699 -5.435 6.030 1.00 0.00 H new ATOM 189 N ARG A 16 31.119 -5.504 4.542 1.00 0.00 N ATOM 190 CA ARG A 16 29.770 -5.388 4.001 1.00 0.00 C ATOM 191 C ARG A 16 28.758 -5.135 5.115 1.00 0.00 C ATOM 192 O ARG A 16 27.587 -5.495 4.995 1.00 0.00 O ATOM 193 CB ARG A 16 29.395 -6.658 3.235 1.00 0.00 C ATOM 194 CG ARG A 16 29.960 -6.707 1.825 1.00 0.00 C ATOM 195 CD ARG A 16 31.336 -7.356 1.799 1.00 0.00 C ATOM 196 NE ARG A 16 31.864 -7.466 0.442 1.00 0.00 N ATOM 197 CZ ARG A 16 33.155 -7.610 0.165 1.00 0.00 C ATOM 198 NH1 ARG A 16 34.045 -7.662 1.146 1.00 0.00 N ATOM 199 NH2 ARG A 16 33.558 -7.703 -1.096 1.00 0.00 N ATOM 0 H ARG A 16 31.408 -6.459 4.753 1.00 0.00 H new ATOM 0 HA ARG A 16 29.751 -4.540 3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 16 29.751 -7.526 3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 16 28.309 -6.735 3.185 1.00 0.00 H new ATOM 0 HG2 ARG A 16 29.281 -7.264 1.179 1.00 0.00 H new ATOM 0 HG3 ARG A 16 30.025 -5.696 1.423 1.00 0.00 H new ATOM 0 HD2 ARG A 16 32.024 -6.771 2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 16 31.277 -8.348 2.247 1.00 0.00 H new ATOM 0 HE ARG A 16 31.205 -7.430 -0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 16 33.739 -7.591 2.116 1.00 0.00 H new ATOM 0 HH12 ARG A 16 35.036 -7.773 0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 16 32.876 -7.664 -1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 16 34.550 -7.814 -1.308 1.00 0.00 H new ATOM 213 N GLU A 17 29.218 -4.515 6.196 1.00 0.00 N ATOM 214 CA GLU A 17 28.352 -4.215 7.331 1.00 0.00 C ATOM 215 C GLU A 17 27.353 -3.117 6.978 1.00 0.00 C ATOM 216 O GLU A 17 27.655 -2.218 6.193 1.00 0.00 O ATOM 217 CB GLU A 17 29.188 -3.790 8.540 1.00 0.00 C ATOM 218 CG GLU A 17 28.374 -3.133 9.642 1.00 0.00 C ATOM 219 CD GLU A 17 27.478 -4.115 10.371 1.00 0.00 C ATOM 220 OE1 GLU A 17 27.974 -5.193 10.760 1.00 0.00 O ATOM 221 OE2 GLU A 17 26.281 -3.807 10.552 1.00 0.00 O ATOM 0 H GLU A 17 30.185 -4.210 6.311 1.00 0.00 H new ATOM 0 HA GLU A 17 27.798 -5.119 7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 17 29.695 -4.665 8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 17 29.963 -3.098 8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.050 -2.664 10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 17 27.763 -2.339 9.213 1.00 0.00 H new ATOM 228 N ILE A 18 26.163 -3.199 7.563 1.00 0.00 N ATOM 229 CA ILE A 18 25.119 -2.213 7.311 1.00 0.00 C ATOM 230 C ILE A 18 25.491 -0.857 7.901 1.00 0.00 C ATOM 231 O ILE A 18 26.235 -0.776 8.878 1.00 0.00 O ATOM 232 CB ILE A 18 23.767 -2.662 7.896 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.337 -3.995 7.279 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.707 -1.596 7.659 1.00 0.00 C ATOM 235 CD1 ILE A 18 22.446 -4.818 8.182 1.00 0.00 C ATOM 0 H ILE A 18 25.898 -3.938 8.214 1.00 0.00 H new ATOM 0 HA ILE A 18 25.024 -2.123 6.229 1.00 0.00 H new ATOM 0 HB ILE A 18 23.881 -2.801 8.971 1.00 0.00 H new ATOM 0 HG12 ILE A 18 22.813 -3.801 6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 18 24.226 -4.575 7.032 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.757 -1.928 8.078 1.00 0.00 H new ATOM 0 HG22 ILE A 18 23.011 -0.667 8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.592 -1.429 6.588 1.00 0.00 H new ATOM 0 HD11 ILE A 18 22.180 -5.749 7.681 1.00 0.00 H new ATOM 0 HD12 ILE A 18 22.975 -5.043 9.108 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.540 -4.256 8.409 1.00 0.00 H new ATOM 247 N ALA A 19 24.965 0.207 7.302 1.00 0.00 N ATOM 248 CA ALA A 19 25.238 1.560 7.770 1.00 0.00 C ATOM 249 C ALA A 19 24.077 2.099 8.599 1.00 0.00 C ATOM 250 O ALA A 19 24.276 2.890 9.520 1.00 0.00 O ATOM 251 CB ALA A 19 25.519 2.480 6.591 1.00 0.00 C ATOM 0 H ALA A 19 24.347 0.158 6.492 1.00 0.00 H new ATOM 0 HA ALA A 19 26.121 1.526 8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.721 3.487 6.956 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.385 2.112 6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.652 2.500 5.931 1.00 0.00 H new ATOM 257 N GLU A 20 22.866 1.665 8.265 1.00 0.00 N ATOM 258 CA GLU A 20 21.673 2.106 8.978 1.00 0.00 C ATOM 259 C GLU A 20 20.533 1.108 8.801 1.00 0.00 C ATOM 260 O GLU A 20 20.248 0.641 7.698 1.00 0.00 O ATOM 261 CB GLU A 20 21.238 3.487 8.485 1.00 0.00 C ATOM 262 CG GLU A 20 20.227 4.168 9.393 1.00 0.00 C ATOM 263 CD GLU A 20 20.872 4.804 10.609 1.00 0.00 C ATOM 264 OE1 GLU A 20 22.056 4.508 10.875 1.00 0.00 O ATOM 265 OE2 GLU A 20 20.193 5.596 11.295 1.00 0.00 O ATOM 0 H GLU A 20 22.685 1.009 7.505 1.00 0.00 H new ATOM 0 HA GLU A 20 21.917 2.168 10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.118 4.124 8.393 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.809 3.389 7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.693 4.932 8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.487 3.437 9.719 1.00 0.00 H new ATOM 272 N PRO A 21 19.864 0.771 9.914 1.00 0.00 N ATOM 273 CA PRO A 21 18.744 -0.175 9.909 1.00 0.00 C ATOM 274 C PRO A 21 17.508 0.394 9.220 1.00 0.00 C ATOM 275 O PRO A 21 17.248 1.596 9.253 1.00 0.00 O ATOM 276 CB PRO A 21 18.468 -0.407 11.397 1.00 0.00 C ATOM 277 CG PRO A 21 18.968 0.824 12.071 1.00 0.00 C ATOM 278 CD PRO A 21 20.149 1.288 11.263 1.00 0.00 C ATOM 0 HA PRO A 21 18.982 -1.085 9.359 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.405 -0.557 11.584 1.00 0.00 H new ATOM 0 HB3 PRO A 21 18.984 -1.295 11.762 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.194 1.591 12.107 1.00 0.00 H new ATOM 0 HG3 PRO A 21 19.258 0.615 13.101 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.236 2.374 11.267 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.085 0.892 11.656 1.00 0.00 H new ATOM 286 N PRO A 22 16.727 -0.490 8.581 1.00 0.00 N ATOM 287 CA PRO A 22 15.504 -0.098 7.873 1.00 0.00 C ATOM 288 C PRO A 22 14.397 0.340 8.826 1.00 0.00 C ATOM 289 O PRO A 22 14.327 -0.121 9.966 1.00 0.00 O ATOM 290 CB PRO A 22 15.098 -1.375 7.133 1.00 0.00 C ATOM 291 CG PRO A 22 15.694 -2.482 7.933 1.00 0.00 C ATOM 292 CD PRO A 22 16.976 -1.939 8.501 1.00 0.00 C ATOM 0 HA PRO A 22 15.669 0.757 7.217 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.014 -1.470 7.072 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.476 -1.377 6.111 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.018 -2.797 8.728 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.883 -3.356 7.310 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.193 -2.364 9.481 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.828 -2.166 7.859 1.00 0.00 H new ATOM 300 N LYS A 23 13.534 1.231 8.353 1.00 0.00 N ATOM 301 CA LYS A 23 12.428 1.731 9.162 1.00 0.00 C ATOM 302 C LYS A 23 11.372 2.398 8.287 1.00 0.00 C ATOM 303 O LYS A 23 11.655 3.374 7.591 1.00 0.00 O ATOM 304 CB LYS A 23 12.942 2.724 10.206 1.00 0.00 C ATOM 305 CG LYS A 23 12.105 2.762 11.473 1.00 0.00 C ATOM 306 CD LYS A 23 10.657 3.115 11.175 1.00 0.00 C ATOM 307 CE LYS A 23 9.992 3.791 12.364 1.00 0.00 C ATOM 308 NZ LYS A 23 8.516 3.593 12.361 1.00 0.00 N ATOM 0 H LYS A 23 13.578 1.623 7.412 1.00 0.00 H new ATOM 0 HA LYS A 23 11.970 0.883 9.671 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.969 2.466 10.466 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.966 3.721 9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.149 1.792 11.969 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.524 3.493 12.165 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.613 3.775 10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.107 2.211 10.915 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.410 3.393 13.289 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.215 4.858 12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.084 4.191 13.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.132 3.855 11.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.299 2.595 12.556 1.00 0.00 H new ATOM 322 N ILE A 24 10.155 1.866 8.327 1.00 0.00 N ATOM 323 CA ILE A 24 9.056 2.412 7.540 1.00 0.00 C ATOM 324 C ILE A 24 8.258 3.433 8.344 1.00 0.00 C ATOM 325 O ILE A 24 7.307 3.081 9.042 1.00 0.00 O ATOM 326 CB ILE A 24 8.106 1.302 7.053 1.00 0.00 C ATOM 327 CG1 ILE A 24 8.846 0.342 6.118 1.00 0.00 C ATOM 328 CG2 ILE A 24 6.899 1.908 6.352 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.203 -1.023 6.023 1.00 0.00 C ATOM 0 H ILE A 24 9.905 1.057 8.896 1.00 0.00 H new ATOM 0 HA ILE A 24 9.501 2.903 6.675 1.00 0.00 H new ATOM 0 HB ILE A 24 7.754 0.739 7.918 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.894 0.782 5.122 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.873 0.228 6.466 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.237 1.111 6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.363 2.555 7.046 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.232 2.492 5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.780 -1.651 5.344 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.179 -1.484 7.011 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.185 -0.920 5.646 1.00 0.00 H new ATOM 341 N ARG A 25 8.649 4.698 8.239 1.00 0.00 N ATOM 342 CA ARG A 25 7.969 5.770 8.956 1.00 0.00 C ATOM 343 C ARG A 25 6.588 6.031 8.362 1.00 0.00 C ATOM 344 O ARG A 25 6.466 6.550 7.252 1.00 0.00 O ATOM 345 CB ARG A 25 8.805 7.051 8.913 1.00 0.00 C ATOM 346 CG ARG A 25 10.244 6.855 9.361 1.00 0.00 C ATOM 347 CD ARG A 25 10.392 7.048 10.862 1.00 0.00 C ATOM 348 NE ARG A 25 10.418 8.460 11.232 1.00 0.00 N ATOM 349 CZ ARG A 25 10.487 8.890 12.487 1.00 0.00 C ATOM 350 NH1 ARG A 25 10.537 8.021 13.487 1.00 0.00 N ATOM 351 NH2 ARG A 25 10.506 10.192 12.744 1.00 0.00 N ATOM 0 H ARG A 25 9.433 5.006 7.664 1.00 0.00 H new ATOM 0 HA ARG A 25 7.846 5.459 9.993 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.800 7.444 7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.335 7.803 9.547 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.578 5.854 9.087 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.889 7.561 8.837 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.566 6.554 11.374 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.310 6.568 11.201 1.00 0.00 H new ATOM 0 HE ARG A 25 10.381 9.155 10.486 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.523 7.020 13.294 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.590 8.354 14.450 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.468 10.864 11.977 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.559 10.521 13.708 1.00 0.00 H new ATOM 365 N LEU A 26 5.551 5.667 9.108 1.00 0.00 N ATOM 366 CA LEU A 26 4.178 5.861 8.656 1.00 0.00 C ATOM 367 C LEU A 26 3.642 7.216 9.107 1.00 0.00 C ATOM 368 O LEU A 26 3.872 7.659 10.232 1.00 0.00 O ATOM 369 CB LEU A 26 3.281 4.743 9.189 1.00 0.00 C ATOM 370 CG LEU A 26 3.196 3.482 8.327 1.00 0.00 C ATOM 371 CD1 LEU A 26 2.478 2.371 9.077 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.493 3.782 7.012 1.00 0.00 C ATOM 0 H LEU A 26 5.635 5.236 10.029 1.00 0.00 H new ATOM 0 HA LEU A 26 4.174 5.833 7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.638 4.459 10.179 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.274 5.141 9.315 1.00 0.00 H new ATOM 0 HG LEU A 26 4.209 3.147 8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.427 1.482 8.449 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.023 2.138 9.992 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.468 2.696 9.329 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.441 2.874 6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.484 4.142 7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.049 4.546 6.468 1.00 0.00 H new ATOM 384 N PRO A 27 2.908 7.891 8.210 1.00 0.00 N ATOM 385 CA PRO A 27 2.322 9.204 8.494 1.00 0.00 C ATOM 386 C PRO A 27 1.187 9.125 9.509 1.00 0.00 C ATOM 387 O PRO A 27 1.015 8.110 10.184 1.00 0.00 O ATOM 388 CB PRO A 27 1.790 9.658 7.132 1.00 0.00 C ATOM 389 CG PRO A 27 1.544 8.394 6.381 1.00 0.00 C ATOM 390 CD PRO A 27 2.593 7.424 6.849 1.00 0.00 C ATOM 0 HA PRO A 27 3.049 9.888 8.933 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.874 10.240 7.238 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.512 10.291 6.616 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.543 8.011 6.578 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.616 8.558 5.306 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.220 6.400 6.852 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.472 7.441 6.205 1.00 0.00 H new ATOM 398 N ARG A 28 0.414 10.202 9.611 1.00 0.00 N ATOM 399 CA ARG A 28 -0.705 10.254 10.544 1.00 0.00 C ATOM 400 C ARG A 28 -2.036 10.197 9.801 1.00 0.00 C ATOM 401 O ARG A 28 -3.100 10.118 10.417 1.00 0.00 O ATOM 402 CB ARG A 28 -0.633 11.527 11.389 1.00 0.00 C ATOM 403 CG ARG A 28 -1.900 11.803 12.182 1.00 0.00 C ATOM 404 CD ARG A 28 -1.712 12.966 13.144 1.00 0.00 C ATOM 405 NE ARG A 28 -0.530 12.796 13.985 1.00 0.00 N ATOM 406 CZ ARG A 28 -0.037 13.753 14.763 1.00 0.00 C ATOM 407 NH1 ARG A 28 -0.621 14.943 14.806 1.00 0.00 N ATOM 408 NH2 ARG A 28 1.042 13.521 15.499 1.00 0.00 N ATOM 0 H ARG A 28 0.542 11.050 9.059 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.639 9.386 11.201 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.207 11.448 12.079 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.431 12.376 10.736 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.718 12.024 11.497 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.184 10.910 12.739 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.624 13.894 12.578 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.595 13.060 13.775 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.057 11.892 13.974 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.450 15.125 14.241 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.241 15.676 15.404 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.494 12.607 15.468 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.420 14.257 16.096 1.00 0.00 H new ATOM 422 N HIS A 29 -1.970 10.238 8.474 1.00 0.00 N ATOM 423 CA HIS A 29 -3.170 10.191 7.647 1.00 0.00 C ATOM 424 C HIS A 29 -3.461 8.764 7.193 1.00 0.00 C ATOM 425 O HIS A 29 -4.599 8.427 6.861 1.00 0.00 O ATOM 426 CB HIS A 29 -3.012 11.103 6.430 1.00 0.00 C ATOM 427 CG HIS A 29 -1.684 10.970 5.750 1.00 0.00 C ATOM 428 ND1 HIS A 29 -1.348 9.890 4.961 1.00 0.00 N ATOM 429 CD2 HIS A 29 -0.607 11.789 5.743 1.00 0.00 C ATOM 430 CE1 HIS A 29 -0.121 10.050 4.499 1.00 0.00 C ATOM 431 NE2 HIS A 29 0.351 11.195 4.958 1.00 0.00 N ATOM 0 H HIS A 29 -1.098 10.304 7.949 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.009 10.541 8.248 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.802 10.879 5.713 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.149 12.138 6.742 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.517 12.734 6.259 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.407 9.362 3.855 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.276 11.576 4.761 1.00 0.00 H new ATOM 440 N LEU A 30 -2.428 7.929 7.181 1.00 0.00 N ATOM 441 CA LEU A 30 -2.573 6.538 6.767 1.00 0.00 C ATOM 442 C LEU A 30 -3.085 5.678 7.918 1.00 0.00 C ATOM 443 O LEU A 30 -3.873 4.754 7.712 1.00 0.00 O ATOM 444 CB LEU A 30 -1.234 5.993 6.265 1.00 0.00 C ATOM 445 CG LEU A 30 -0.830 6.406 4.849 1.00 0.00 C ATOM 446 CD1 LEU A 30 0.511 5.793 4.476 1.00 0.00 C ATOM 447 CD2 LEU A 30 -1.902 5.999 3.848 1.00 0.00 C ATOM 0 H LEU A 30 -1.481 8.191 7.453 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.301 6.500 5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.452 6.315 6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.268 4.904 6.309 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.730 7.491 4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.782 6.098 3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.274 6.135 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.439 4.706 4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.597 6.301 2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.035 4.917 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.843 6.487 4.104 1.00 0.00 H new ATOM 459 N ARG A 31 -2.635 5.990 9.129 1.00 0.00 N ATOM 460 CA ARG A 31 -3.049 5.246 10.312 1.00 0.00 C ATOM 461 C ARG A 31 -4.545 4.945 10.269 1.00 0.00 C ATOM 462 O ARG A 31 -5.000 3.939 10.812 1.00 0.00 O ATOM 463 CB ARG A 31 -2.713 6.035 11.579 1.00 0.00 C ATOM 464 CG ARG A 31 -1.258 6.464 11.662 1.00 0.00 C ATOM 465 CD ARG A 31 -0.898 6.951 13.057 1.00 0.00 C ATOM 466 NE ARG A 31 -0.733 5.845 13.997 1.00 0.00 N ATOM 467 CZ ARG A 31 -0.204 5.982 15.207 1.00 0.00 C ATOM 468 NH1 ARG A 31 0.209 7.171 15.623 1.00 0.00 N ATOM 469 NH2 ARG A 31 -0.087 4.928 16.005 1.00 0.00 N ATOM 0 H ARG A 31 -1.984 6.753 9.316 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.506 4.301 10.325 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.347 6.920 11.624 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.954 5.426 12.450 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.615 5.627 11.391 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.070 7.258 10.939 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.025 7.529 13.012 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.677 7.622 13.419 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.041 4.917 13.708 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.121 7.984 15.013 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.615 7.273 16.553 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.404 4.011 15.689 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.320 5.035 16.934 1.00 0.00 H new ATOM 483 N GLN A 32 -5.302 5.824 9.621 1.00 0.00 N ATOM 484 CA GLN A 32 -6.746 5.652 9.509 1.00 0.00 C ATOM 485 C GLN A 32 -7.140 5.279 8.084 1.00 0.00 C ATOM 486 O GLN A 32 -6.610 5.828 7.117 1.00 0.00 O ATOM 487 CB GLN A 32 -7.467 6.932 9.932 1.00 0.00 C ATOM 488 CG GLN A 32 -6.888 7.572 11.184 1.00 0.00 C ATOM 489 CD GLN A 32 -7.510 7.033 12.457 1.00 0.00 C ATOM 490 OE1 GLN A 32 -8.533 6.348 12.420 1.00 0.00 O ATOM 491 NE2 GLN A 32 -6.895 7.339 13.593 1.00 0.00 N ATOM 0 H GLN A 32 -4.940 6.662 9.166 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.043 4.840 10.173 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.424 7.651 9.114 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.520 6.706 10.103 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.812 7.402 11.210 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.039 8.651 11.139 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.050 7.909 13.578 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.268 7.004 14.481 1.00 0.00 H new ATOM 500 N THR A 33 -8.074 4.341 7.960 1.00 0.00 N ATOM 501 CA THR A 33 -8.539 3.893 6.653 1.00 0.00 C ATOM 502 C THR A 33 -8.556 5.042 5.652 1.00 0.00 C ATOM 503 O THR A 33 -9.382 5.950 5.748 1.00 0.00 O ATOM 504 CB THR A 33 -9.950 3.281 6.738 1.00 0.00 C ATOM 505 OG1 THR A 33 -9.962 2.208 7.686 1.00 0.00 O ATOM 506 CG2 THR A 33 -10.401 2.768 5.379 1.00 0.00 C ATOM 0 H THR A 33 -8.523 3.877 8.749 1.00 0.00 H new ATOM 0 HA THR A 33 -7.839 3.129 6.314 1.00 0.00 H new ATOM 0 HB THR A 33 -10.640 4.060 7.062 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.863 1.825 7.736 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.400 2.341 5.465 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.419 3.593 4.666 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.708 2.003 5.031 1.00 0.00 H new ATOM 514 N TYR A 34 -7.639 4.998 4.692 1.00 0.00 N ATOM 515 CA TYR A 34 -7.548 6.037 3.673 1.00 0.00 C ATOM 516 C TYR A 34 -8.829 6.106 2.849 1.00 0.00 C ATOM 517 O TYR A 34 -9.088 5.242 2.010 1.00 0.00 O ATOM 518 CB TYR A 34 -6.351 5.778 2.756 1.00 0.00 C ATOM 519 CG TYR A 34 -5.759 7.036 2.163 1.00 0.00 C ATOM 520 CD1 TYR A 34 -5.464 8.133 2.963 1.00 0.00 C ATOM 521 CD2 TYR A 34 -5.497 7.129 0.802 1.00 0.00 C ATOM 522 CE1 TYR A 34 -4.924 9.285 2.425 1.00 0.00 C ATOM 523 CE2 TYR A 34 -4.956 8.277 0.255 1.00 0.00 C ATOM 524 CZ TYR A 34 -4.671 9.352 1.071 1.00 0.00 C ATOM 525 OH TYR A 34 -4.133 10.497 0.530 1.00 0.00 O ATOM 0 H TYR A 34 -6.948 4.254 4.598 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.411 6.994 4.177 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.579 5.254 3.320 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.660 5.116 1.947 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.660 8.084 4.024 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.720 6.290 0.160 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.701 10.129 3.061 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.758 8.332 -0.805 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.016 10.379 -0.436 1.00 0.00 H new ATOM 535 N ILE A 35 -9.627 7.139 3.093 1.00 0.00 N ATOM 536 CA ILE A 35 -10.881 7.323 2.373 1.00 0.00 C ATOM 537 C ILE A 35 -10.670 8.139 1.101 1.00 0.00 C ATOM 538 O ILE A 35 -10.246 9.293 1.156 1.00 0.00 O ATOM 539 CB ILE A 35 -11.937 8.023 3.249 1.00 0.00 C ATOM 540 CG1 ILE A 35 -12.108 7.276 4.573 1.00 0.00 C ATOM 541 CG2 ILE A 35 -13.263 8.113 2.509 1.00 0.00 C ATOM 542 CD1 ILE A 35 -12.698 5.892 4.414 1.00 0.00 C ATOM 0 H ILE A 35 -9.428 7.862 3.784 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.242 6.329 2.109 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.596 9.035 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.138 7.194 5.063 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.749 7.862 5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.999 8.610 3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.129 8.684 1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.612 7.110 2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.791 5.421 5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.683 5.967 3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.046 5.289 3.782 1.00 0.00 H new ATOM 554 N ARG A 36 -10.971 7.531 -0.042 1.00 0.00 N ATOM 555 CA ARG A 36 -10.815 8.201 -1.327 1.00 0.00 C ATOM 556 C ARG A 36 -11.928 7.796 -2.290 1.00 0.00 C ATOM 557 O ARG A 36 -12.340 6.637 -2.327 1.00 0.00 O ATOM 558 CB ARG A 36 -9.452 7.868 -1.938 1.00 0.00 C ATOM 559 CG ARG A 36 -8.351 8.833 -1.531 1.00 0.00 C ATOM 560 CD ARG A 36 -8.343 10.073 -2.411 1.00 0.00 C ATOM 561 NE ARG A 36 -7.447 11.105 -1.896 1.00 0.00 N ATOM 562 CZ ARG A 36 -7.797 11.985 -0.965 1.00 0.00 C ATOM 563 NH1 ARG A 36 -9.019 11.959 -0.450 1.00 0.00 N ATOM 564 NH2 ARG A 36 -6.925 12.894 -0.548 1.00 0.00 N ATOM 0 H ARG A 36 -11.324 6.576 -0.104 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.877 9.276 -1.158 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.167 6.859 -1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.540 7.868 -3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.489 9.125 -0.490 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.385 8.333 -1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.037 9.799 -3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.354 10.474 -2.482 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.500 11.152 -2.272 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.692 11.262 -0.769 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.286 12.636 0.265 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.985 12.917 -0.943 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.195 13.569 0.167 1.00 0.00 H new ATOM 578 N LYS A 37 -12.410 8.760 -3.066 1.00 0.00 N ATOM 579 CA LYS A 37 -13.475 8.506 -4.029 1.00 0.00 C ATOM 580 C LYS A 37 -12.938 7.770 -5.252 1.00 0.00 C ATOM 581 O LYS A 37 -11.731 7.745 -5.494 1.00 0.00 O ATOM 582 CB LYS A 37 -14.127 9.823 -4.459 1.00 0.00 C ATOM 583 CG LYS A 37 -15.199 10.312 -3.501 1.00 0.00 C ATOM 584 CD LYS A 37 -15.471 11.796 -3.679 1.00 0.00 C ATOM 585 CE LYS A 37 -16.042 12.097 -5.056 1.00 0.00 C ATOM 586 NZ LYS A 37 -15.707 13.476 -5.506 1.00 0.00 N ATOM 0 H LYS A 37 -12.080 9.725 -3.047 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.224 7.877 -3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.356 10.588 -4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.566 9.695 -5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.119 9.750 -3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.887 10.119 -2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.169 12.133 -2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.547 12.356 -3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.654 11.376 -5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.125 11.975 -5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.114 13.642 -6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.099 14.166 -4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.674 13.585 -5.551 1.00 0.00 H new ATOM 600 N VAL A 38 -13.842 7.172 -6.022 1.00 0.00 N ATOM 601 CA VAL A 38 -13.459 6.438 -7.222 1.00 0.00 C ATOM 602 C VAL A 38 -13.148 7.388 -8.373 1.00 0.00 C ATOM 603 O VAL A 38 -13.698 8.486 -8.451 1.00 0.00 O ATOM 604 CB VAL A 38 -14.567 5.462 -7.661 1.00 0.00 C ATOM 605 CG1 VAL A 38 -15.116 4.703 -6.463 1.00 0.00 C ATOM 606 CG2 VAL A 38 -15.678 6.210 -8.384 1.00 0.00 C ATOM 0 H VAL A 38 -14.845 7.182 -5.836 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.563 5.870 -6.972 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.137 4.738 -8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.898 4.019 -6.793 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.313 4.137 -5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.532 5.409 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.453 5.506 -8.688 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.108 6.957 -7.717 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.270 6.703 -9.266 1.00 0.00 H new ATOM 616 N GLY A 39 -12.261 6.958 -9.266 1.00 0.00 N ATOM 617 CA GLY A 39 -11.893 7.783 -10.401 1.00 0.00 C ATOM 618 C GLY A 39 -10.820 8.797 -10.057 1.00 0.00 C ATOM 619 O GLY A 39 -9.962 9.105 -10.884 1.00 0.00 O ATOM 0 H GLY A 39 -11.791 6.054 -9.223 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.539 7.145 -11.211 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.777 8.304 -10.769 1.00 0.00 H new ATOM 623 N GLU A 40 -10.869 9.317 -8.835 1.00 0.00 N ATOM 624 CA GLU A 40 -9.894 10.304 -8.386 1.00 0.00 C ATOM 625 C GLU A 40 -8.490 9.708 -8.357 1.00 0.00 C ATOM 626 O GLU A 40 -8.319 8.492 -8.442 1.00 0.00 O ATOM 627 CB GLU A 40 -10.267 10.825 -6.996 1.00 0.00 C ATOM 628 CG GLU A 40 -11.516 11.690 -6.986 1.00 0.00 C ATOM 629 CD GLU A 40 -11.562 12.634 -5.800 1.00 0.00 C ATOM 630 OE1 GLU A 40 -11.210 12.202 -4.683 1.00 0.00 O ATOM 631 OE2 GLU A 40 -11.950 13.806 -5.991 1.00 0.00 O ATOM 0 H GLU A 40 -11.573 9.072 -8.139 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.903 11.134 -9.093 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.417 9.977 -6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.432 11.402 -6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.560 12.269 -7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.397 11.049 -6.970 1.00 0.00 H new ATOM 638 N GLN A 41 -7.488 10.573 -8.239 1.00 0.00 N ATOM 639 CA GLN A 41 -6.099 10.133 -8.201 1.00 0.00 C ATOM 640 C GLN A 41 -5.689 9.744 -6.784 1.00 0.00 C ATOM 641 O GLN A 41 -6.290 10.194 -5.807 1.00 0.00 O ATOM 642 CB GLN A 41 -5.177 11.235 -8.726 1.00 0.00 C ATOM 643 CG GLN A 41 -5.138 11.323 -10.243 1.00 0.00 C ATOM 644 CD GLN A 41 -6.225 12.218 -10.805 1.00 0.00 C ATOM 645 OE1 GLN A 41 -7.250 11.739 -11.290 1.00 0.00 O ATOM 646 NE2 GLN A 41 -6.006 13.526 -10.742 1.00 0.00 N ATOM 0 H GLN A 41 -7.612 11.583 -8.168 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.006 9.256 -8.841 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.504 12.194 -8.323 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.167 11.060 -8.354 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.164 11.700 -10.556 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.243 10.323 -10.664 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.142 13.879 -10.331 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.702 14.178 -11.104 1.00 0.00 H new ATOM 655 N LEU A 42 -4.664 8.906 -6.678 1.00 0.00 N ATOM 656 CA LEU A 42 -4.174 8.456 -5.380 1.00 0.00 C ATOM 657 C LEU A 42 -2.723 8.877 -5.170 1.00 0.00 C ATOM 658 O LEU A 42 -1.936 8.918 -6.114 1.00 0.00 O ATOM 659 CB LEU A 42 -4.297 6.936 -5.265 1.00 0.00 C ATOM 660 CG LEU A 42 -5.714 6.389 -5.085 1.00 0.00 C ATOM 661 CD1 LEU A 42 -5.812 4.971 -5.624 1.00 0.00 C ATOM 662 CD2 LEU A 42 -6.120 6.433 -3.618 1.00 0.00 C ATOM 0 H LEU A 42 -4.156 8.524 -7.476 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.784 8.923 -4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.867 6.488 -6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.691 6.605 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.400 7.019 -5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.827 4.599 -5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.564 4.967 -6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.115 4.328 -5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.131 6.040 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.430 5.827 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.091 7.463 -3.263 1.00 0.00 H new ATOM 674 N ASN A 43 -2.377 9.188 -3.925 1.00 0.00 N ATOM 675 CA ASN A 43 -1.020 9.604 -3.590 1.00 0.00 C ATOM 676 C ASN A 43 -0.657 9.184 -2.169 1.00 0.00 C ATOM 677 O ASN A 43 -1.242 9.667 -1.199 1.00 0.00 O ATOM 678 CB ASN A 43 -0.878 11.120 -3.738 1.00 0.00 C ATOM 679 CG ASN A 43 0.570 11.557 -3.854 1.00 0.00 C ATOM 680 OD1 ASN A 43 1.326 11.029 -4.670 1.00 0.00 O ATOM 681 ND2 ASN A 43 0.962 12.526 -3.035 1.00 0.00 N ATOM 0 H ASN A 43 -3.017 9.160 -3.132 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.335 9.112 -4.281 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.426 11.449 -4.621 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.335 11.611 -2.879 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.925 12.862 -3.066 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.301 12.934 -2.375 1.00 0.00 H new ATOM 688 N LEU A 44 0.312 8.283 -2.053 1.00 0.00 N ATOM 689 CA LEU A 44 0.755 7.798 -0.751 1.00 0.00 C ATOM 690 C LEU A 44 2.270 7.908 -0.614 1.00 0.00 C ATOM 691 O LEU A 44 3.016 7.136 -1.217 1.00 0.00 O ATOM 692 CB LEU A 44 0.317 6.346 -0.550 1.00 0.00 C ATOM 693 CG LEU A 44 -1.176 6.122 -0.310 1.00 0.00 C ATOM 694 CD1 LEU A 44 -1.491 4.635 -0.259 1.00 0.00 C ATOM 695 CD2 LEU A 44 -1.619 6.807 0.975 1.00 0.00 C ATOM 0 H LEU A 44 0.806 7.873 -2.846 1.00 0.00 H new ATOM 0 HA LEU A 44 0.294 8.420 0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.613 5.773 -1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.866 5.936 0.298 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.728 6.561 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.558 4.495 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.212 4.171 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.929 4.172 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.684 6.637 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.060 6.398 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.430 7.878 0.900 1.00 0.00 H new ATOM 707 N VAL A 45 2.719 8.873 0.182 1.00 0.00 N ATOM 708 CA VAL A 45 4.145 9.082 0.401 1.00 0.00 C ATOM 709 C VAL A 45 4.589 8.495 1.736 1.00 0.00 C ATOM 710 O VAL A 45 4.463 9.135 2.780 1.00 0.00 O ATOM 711 CB VAL A 45 4.504 10.580 0.366 1.00 0.00 C ATOM 712 CG1 VAL A 45 5.978 10.783 0.682 1.00 0.00 C ATOM 713 CG2 VAL A 45 4.153 11.181 -0.986 1.00 0.00 C ATOM 0 H VAL A 45 2.115 9.523 0.686 1.00 0.00 H new ATOM 0 HA VAL A 45 4.667 8.571 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 45 3.919 11.094 1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.213 11.847 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.194 10.391 1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.584 10.257 -0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.413 12.239 -0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.710 10.666 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.084 11.069 -1.167 1.00 0.00 H new ATOM 723 N VAL A 46 5.109 7.273 1.695 1.00 0.00 N ATOM 724 CA VAL A 46 5.573 6.599 2.902 1.00 0.00 C ATOM 725 C VAL A 46 7.086 6.719 3.051 1.00 0.00 C ATOM 726 O VAL A 46 7.856 6.013 2.400 1.00 0.00 O ATOM 727 CB VAL A 46 5.185 5.108 2.896 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.435 4.486 4.262 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.732 4.938 2.482 1.00 0.00 C ATOM 0 H VAL A 46 5.220 6.729 0.839 1.00 0.00 H new ATOM 0 HA VAL A 46 5.088 7.090 3.746 1.00 0.00 H new ATOM 0 HB VAL A 46 5.809 4.591 2.168 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.155 3.433 4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.492 4.575 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.838 5.004 5.012 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.475 3.879 2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.089 5.468 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.589 5.345 1.481 1.00 0.00 H new ATOM 739 N PRO A 47 7.523 7.634 3.928 1.00 0.00 N ATOM 740 CA PRO A 47 8.947 7.867 4.185 1.00 0.00 C ATOM 741 C PRO A 47 9.602 6.704 4.922 1.00 0.00 C ATOM 742 O PRO A 47 9.011 6.120 5.830 1.00 0.00 O ATOM 743 CB PRO A 47 8.949 9.124 5.059 1.00 0.00 C ATOM 744 CG PRO A 47 7.616 9.124 5.725 1.00 0.00 C ATOM 745 CD PRO A 47 6.661 8.510 4.739 1.00 0.00 C ATOM 0 HA PRO A 47 9.515 7.973 3.261 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.757 9.097 5.790 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.092 10.023 4.459 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.643 8.551 6.652 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.310 10.137 5.986 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.874 7.947 5.240 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.171 9.269 4.128 1.00 0.00 H new ATOM 753 N PHE A 48 10.827 6.373 4.526 1.00 0.00 N ATOM 754 CA PHE A 48 11.562 5.279 5.149 1.00 0.00 C ATOM 755 C PHE A 48 13.007 5.683 5.427 1.00 0.00 C ATOM 756 O PHE A 48 13.506 6.660 4.869 1.00 0.00 O ATOM 757 CB PHE A 48 11.530 4.039 4.253 1.00 0.00 C ATOM 758 CG PHE A 48 12.166 4.255 2.909 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.539 4.405 2.794 1.00 0.00 C ATOM 760 CD2 PHE A 48 11.392 4.307 1.762 1.00 0.00 C ATOM 761 CE1 PHE A 48 14.127 4.604 1.559 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.974 4.506 0.524 1.00 0.00 C ATOM 763 CZ PHE A 48 13.343 4.653 0.422 1.00 0.00 C ATOM 0 H PHE A 48 11.331 6.847 3.777 1.00 0.00 H new ATOM 0 HA PHE A 48 11.080 5.045 6.098 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.040 3.220 4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.495 3.730 4.111 1.00 0.00 H new ATOM 0 HD1 PHE A 48 14.156 4.366 3.679 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.321 4.191 1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 48 15.198 4.721 1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.358 4.546 -0.362 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.800 4.806 -0.544 1.00 0.00 H new ATOM 773 N GLN A 49 13.671 4.925 6.293 1.00 0.00 N ATOM 774 CA GLN A 49 15.058 5.205 6.646 1.00 0.00 C ATOM 775 C GLN A 49 15.923 3.959 6.485 1.00 0.00 C ATOM 776 O GLN A 49 15.425 2.835 6.534 1.00 0.00 O ATOM 777 CB GLN A 49 15.147 5.719 8.083 1.00 0.00 C ATOM 778 CG GLN A 49 14.534 7.097 8.275 1.00 0.00 C ATOM 779 CD GLN A 49 15.520 8.217 8.008 1.00 0.00 C ATOM 780 OE1 GLN A 49 16.709 8.095 8.302 1.00 0.00 O ATOM 781 NE2 GLN A 49 15.030 9.317 7.448 1.00 0.00 N ATOM 0 H GLN A 49 13.272 4.113 6.763 1.00 0.00 H new ATOM 0 HA GLN A 49 15.430 5.974 5.969 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.646 5.012 8.745 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.194 5.751 8.385 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.678 7.205 7.609 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.158 7.184 9.294 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.037 9.375 7.221 1.00 0.00 H new ATOM 0 HE22 GLN A 49 15.646 10.104 7.245 1.00 0.00 H new ATOM 790 N GLY A 50 17.222 4.167 6.291 1.00 0.00 N ATOM 791 CA GLY A 50 18.135 3.051 6.126 1.00 0.00 C ATOM 792 C GLY A 50 19.276 3.371 5.181 1.00 0.00 C ATOM 793 O GLY A 50 19.212 4.339 4.423 1.00 0.00 O ATOM 0 H GLY A 50 17.658 5.088 6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.540 2.770 7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.586 2.189 5.749 1.00 0.00 H new ATOM 797 N LYS A 51 20.326 2.558 5.227 1.00 0.00 N ATOM 798 CA LYS A 51 21.488 2.759 4.370 1.00 0.00 C ATOM 799 C LYS A 51 22.232 1.446 4.144 1.00 0.00 C ATOM 800 O LYS A 51 22.083 0.484 4.897 1.00 0.00 O ATOM 801 CB LYS A 51 22.432 3.792 4.989 1.00 0.00 C ATOM 802 CG LYS A 51 22.145 5.218 4.551 1.00 0.00 C ATOM 803 CD LYS A 51 23.389 6.088 4.632 1.00 0.00 C ATOM 804 CE LYS A 51 23.883 6.221 6.064 1.00 0.00 C ATOM 805 NZ LYS A 51 22.858 6.838 6.950 1.00 0.00 N ATOM 0 H LYS A 51 20.396 1.753 5.849 1.00 0.00 H new ATOM 0 HA LYS A 51 21.137 3.128 3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.360 3.733 6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.458 3.539 4.724 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.767 5.216 3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.362 5.642 5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 51 24.176 5.658 4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.170 7.076 4.228 1.00 0.00 H new ATOM 0 HE2 LYS A 51 24.150 5.237 6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 51 24.789 6.827 6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 23.305 7.144 7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.437 7.661 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 22.115 6.141 7.159 1.00 0.00 H new ATOM 819 N PRO A 52 23.053 1.405 3.085 1.00 0.00 N ATOM 820 CA PRO A 52 23.239 2.544 2.182 1.00 0.00 C ATOM 821 C PRO A 52 22.001 2.820 1.335 1.00 0.00 C ATOM 822 O PRO A 52 21.538 3.957 1.246 1.00 0.00 O ATOM 823 CB PRO A 52 24.407 2.108 1.295 1.00 0.00 C ATOM 824 CG PRO A 52 24.367 0.619 1.321 1.00 0.00 C ATOM 825 CD PRO A 52 23.864 0.242 2.687 1.00 0.00 C ATOM 0 HA PRO A 52 23.423 3.470 2.727 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.297 2.489 0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.356 2.485 1.676 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.709 0.233 0.543 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.356 0.199 1.140 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.270 -0.671 2.658 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.684 0.067 3.383 1.00 0.00 H new ATOM 833 N ARG A 53 21.469 1.772 0.714 1.00 0.00 N ATOM 834 CA ARG A 53 20.285 1.902 -0.127 1.00 0.00 C ATOM 835 C ARG A 53 19.270 0.808 0.192 1.00 0.00 C ATOM 836 O ARG A 53 19.420 -0.347 -0.205 1.00 0.00 O ATOM 837 CB ARG A 53 20.674 1.837 -1.605 1.00 0.00 C ATOM 838 CG ARG A 53 21.020 3.190 -2.204 1.00 0.00 C ATOM 839 CD ARG A 53 21.607 3.048 -3.599 1.00 0.00 C ATOM 840 NE ARG A 53 22.548 4.122 -3.909 1.00 0.00 N ATOM 841 CZ ARG A 53 23.431 4.061 -4.900 1.00 0.00 C ATOM 842 NH1 ARG A 53 23.492 2.986 -5.673 1.00 0.00 N ATOM 843 NH2 ARG A 53 24.254 5.079 -5.120 1.00 0.00 N ATOM 0 H ARG A 53 21.839 0.824 0.777 1.00 0.00 H new ATOM 0 HA ARG A 53 19.827 2.870 0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.529 1.170 -1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 53 19.851 1.399 -2.170 1.00 0.00 H new ATOM 0 HG2 ARG A 53 20.125 3.810 -2.246 1.00 0.00 H new ATOM 0 HG3 ARG A 53 21.733 3.703 -1.559 1.00 0.00 H new ATOM 0 HD2 ARG A 53 22.114 2.087 -3.683 1.00 0.00 H new ATOM 0 HD3 ARG A 53 20.801 3.049 -4.333 1.00 0.00 H new ATOM 0 HE ARG A 53 22.526 4.964 -3.334 1.00 0.00 H new ATOM 0 HH11 ARG A 53 22.860 2.203 -5.508 1.00 0.00 H new ATOM 0 HH12 ARG A 53 24.171 2.942 -6.433 1.00 0.00 H new ATOM 0 HH21 ARG A 53 24.209 5.909 -4.528 1.00 0.00 H new ATOM 0 HH22 ARG A 53 24.932 5.032 -5.881 1.00 0.00 H new ATOM 857 N PRO A 54 18.210 1.180 0.926 1.00 0.00 N ATOM 858 CA PRO A 54 17.149 0.246 1.314 1.00 0.00 C ATOM 859 C PRO A 54 16.297 -0.190 0.126 1.00 0.00 C ATOM 860 O PRO A 54 16.195 0.525 -0.870 1.00 0.00 O ATOM 861 CB PRO A 54 16.310 1.055 2.306 1.00 0.00 C ATOM 862 CG PRO A 54 16.550 2.477 1.933 1.00 0.00 C ATOM 863 CD PRO A 54 17.966 2.541 1.433 1.00 0.00 C ATOM 0 HA PRO A 54 17.551 -0.678 1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.253 0.799 2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.614 0.859 3.334 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.850 2.802 1.164 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.409 3.135 2.791 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.082 3.289 0.649 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.662 2.804 2.230 1.00 0.00 H new ATOM 871 N GLN A 55 15.688 -1.365 0.241 1.00 0.00 N ATOM 872 CA GLN A 55 14.846 -1.895 -0.825 1.00 0.00 C ATOM 873 C GLN A 55 13.374 -1.600 -0.552 1.00 0.00 C ATOM 874 O GLN A 55 12.972 -1.400 0.594 1.00 0.00 O ATOM 875 CB GLN A 55 15.058 -3.403 -0.969 1.00 0.00 C ATOM 876 CG GLN A 55 14.543 -3.967 -2.284 1.00 0.00 C ATOM 877 CD GLN A 55 15.181 -5.295 -2.639 1.00 0.00 C ATOM 878 OE1 GLN A 55 14.522 -6.335 -2.631 1.00 0.00 O ATOM 879 NE2 GLN A 55 16.471 -5.268 -2.954 1.00 0.00 N ATOM 0 H GLN A 55 15.761 -1.968 1.060 1.00 0.00 H new ATOM 0 HA GLN A 55 15.130 -1.405 -1.756 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.122 -3.622 -0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.559 -3.912 -0.145 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.462 -4.093 -2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.736 -3.251 -3.083 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.979 -4.384 -2.948 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.954 -6.132 -3.202 1.00 0.00 H new ATOM 888 N VAL A 56 12.574 -1.576 -1.614 1.00 0.00 N ATOM 889 CA VAL A 56 11.147 -1.306 -1.489 1.00 0.00 C ATOM 890 C VAL A 56 10.322 -2.379 -2.190 1.00 0.00 C ATOM 891 O VAL A 56 10.564 -2.704 -3.353 1.00 0.00 O ATOM 892 CB VAL A 56 10.782 0.071 -2.076 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.273 0.224 -2.181 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.382 1.185 -1.231 1.00 0.00 C ATOM 0 H VAL A 56 12.890 -1.740 -2.570 1.00 0.00 H new ATOM 0 HA VAL A 56 10.916 -1.311 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 56 11.200 0.142 -3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.035 1.203 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.873 -0.554 -2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.828 0.133 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.115 2.151 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.995 1.119 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.467 1.084 -1.213 1.00 0.00 H new ATOM 904 N VAL A 57 9.344 -2.928 -1.475 1.00 0.00 N ATOM 905 CA VAL A 57 8.481 -3.964 -2.029 1.00 0.00 C ATOM 906 C VAL A 57 7.011 -3.584 -1.895 1.00 0.00 C ATOM 907 O VAL A 57 6.514 -3.369 -0.789 1.00 0.00 O ATOM 908 CB VAL A 57 8.715 -5.319 -1.336 1.00 0.00 C ATOM 909 CG1 VAL A 57 7.718 -6.354 -1.834 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.144 -5.792 -1.560 1.00 0.00 C ATOM 0 H VAL A 57 9.130 -2.672 -0.511 1.00 0.00 H new ATOM 0 HA VAL A 57 8.735 -4.056 -3.085 1.00 0.00 H new ATOM 0 HB VAL A 57 8.563 -5.190 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.899 -7.305 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.704 -6.017 -1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.835 -6.483 -2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.292 -6.751 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.327 -5.905 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.838 -5.059 -1.149 1.00 0.00 H new ATOM 920 N TRP A 58 6.321 -3.505 -3.026 1.00 0.00 N ATOM 921 CA TRP A 58 4.906 -3.151 -3.035 1.00 0.00 C ATOM 922 C TRP A 58 4.054 -4.324 -3.508 1.00 0.00 C ATOM 923 O TRP A 58 4.212 -4.807 -4.630 1.00 0.00 O ATOM 924 CB TRP A 58 4.668 -1.937 -3.935 1.00 0.00 C ATOM 925 CG TRP A 58 4.972 -0.632 -3.263 1.00 0.00 C ATOM 926 CD1 TRP A 58 6.102 0.120 -3.408 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.134 0.073 -2.341 1.00 0.00 C ATOM 928 NE1 TRP A 58 6.018 1.250 -2.631 1.00 0.00 N ATOM 929 CE2 TRP A 58 4.820 1.245 -1.967 1.00 0.00 C ATOM 930 CE3 TRP A 58 2.871 -0.171 -1.796 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.284 2.168 -1.073 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.340 0.746 -0.908 1.00 0.00 C ATOM 933 CH2 TRP A 58 3.045 1.904 -0.555 1.00 0.00 C ATOM 0 H TRP A 58 6.718 -3.681 -3.949 1.00 0.00 H new ATOM 0 HA TRP A 58 4.614 -2.901 -2.015 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.285 -2.030 -4.829 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.629 -1.935 -4.264 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.939 -0.136 -4.041 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.732 1.975 -2.560 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.319 -1.060 -2.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.827 3.060 -0.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.365 0.567 -0.479 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.602 2.602 0.140 1.00 0.00 H new ATOM 944 N THR A 59 3.150 -4.779 -2.646 1.00 0.00 N ATOM 945 CA THR A 59 2.274 -5.897 -2.976 1.00 0.00 C ATOM 946 C THR A 59 0.837 -5.610 -2.558 1.00 0.00 C ATOM 947 O THR A 59 0.590 -4.831 -1.638 1.00 0.00 O ATOM 948 CB THR A 59 2.744 -7.198 -2.298 1.00 0.00 C ATOM 949 OG1 THR A 59 3.025 -6.956 -0.915 1.00 0.00 O ATOM 950 CG2 THR A 59 3.986 -7.747 -2.984 1.00 0.00 C ATOM 0 H THR A 59 3.005 -4.391 -1.714 1.00 0.00 H new ATOM 0 HA THR A 59 2.317 -6.024 -4.058 1.00 0.00 H new ATOM 0 HB THR A 59 1.945 -7.935 -2.383 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.322 -7.788 -0.491 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.300 -8.666 -2.488 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.761 -7.958 -4.030 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.789 -7.012 -2.926 1.00 0.00 H new ATOM 958 N LYS A 60 -0.110 -6.246 -3.240 1.00 0.00 N ATOM 959 CA LYS A 60 -1.525 -6.061 -2.939 1.00 0.00 C ATOM 960 C LYS A 60 -2.164 -7.375 -2.501 1.00 0.00 C ATOM 961 O LYS A 60 -2.870 -8.021 -3.275 1.00 0.00 O ATOM 962 CB LYS A 60 -2.260 -5.507 -4.162 1.00 0.00 C ATOM 963 CG LYS A 60 -3.758 -5.366 -3.959 1.00 0.00 C ATOM 964 CD LYS A 60 -4.115 -4.012 -3.369 1.00 0.00 C ATOM 965 CE LYS A 60 -5.607 -3.732 -3.478 1.00 0.00 C ATOM 966 NZ LYS A 60 -6.017 -3.452 -4.882 1.00 0.00 N ATOM 0 H LYS A 60 0.077 -6.894 -4.005 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.606 -5.347 -2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.843 -4.532 -4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.077 -6.163 -5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.269 -5.495 -4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.113 -6.157 -3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.813 -3.979 -2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.558 -3.230 -3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.166 -4.588 -3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.864 -2.881 -2.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.430 -2.499 -4.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.185 -3.507 -5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.723 -4.154 -5.184 1.00 0.00 H new ATOM 980 N GLY A 61 -1.913 -7.764 -1.255 1.00 0.00 N ATOM 981 CA GLY A 61 -2.472 -8.998 -0.736 1.00 0.00 C ATOM 982 C GLY A 61 -1.687 -10.219 -1.172 1.00 0.00 C ATOM 983 O GLY A 61 -2.253 -11.295 -1.359 1.00 0.00 O ATOM 0 H GLY A 61 -1.332 -7.246 -0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.494 -8.954 0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.505 -9.095 -1.072 1.00 0.00 H new ATOM 987 N GLY A 62 -0.378 -10.052 -1.335 1.00 0.00 N ATOM 988 CA GLY A 62 0.464 -11.157 -1.753 1.00 0.00 C ATOM 989 C GLY A 62 0.480 -11.338 -3.258 1.00 0.00 C ATOM 990 O GLY A 62 0.204 -12.425 -3.762 1.00 0.00 O ATOM 0 H GLY A 62 0.114 -9.171 -1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.481 -10.988 -1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.112 -12.076 -1.284 1.00 0.00 H new ATOM 994 N ALA A 63 0.804 -10.268 -3.977 1.00 0.00 N ATOM 995 CA ALA A 63 0.855 -10.313 -5.433 1.00 0.00 C ATOM 996 C ALA A 63 1.476 -9.041 -6.000 1.00 0.00 C ATOM 997 O ALA A 63 1.345 -7.954 -5.439 1.00 0.00 O ATOM 998 CB ALA A 63 -0.540 -10.522 -6.004 1.00 0.00 C ATOM 0 H ALA A 63 1.035 -9.360 -3.575 1.00 0.00 H new ATOM 0 HA ALA A 63 1.484 -11.154 -5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.487 -10.554 -7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.948 -11.462 -5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.186 -9.700 -5.696 1.00 0.00 H new ATOM 1004 N PRO A 64 2.170 -9.178 -7.140 1.00 0.00 N ATOM 1005 CA PRO A 64 2.826 -8.050 -7.808 1.00 0.00 C ATOM 1006 C PRO A 64 1.824 -7.077 -8.420 1.00 0.00 C ATOM 1007 O PRO A 64 0.663 -7.423 -8.643 1.00 0.00 O ATOM 1008 CB PRO A 64 3.657 -8.721 -8.904 1.00 0.00 C ATOM 1009 CG PRO A 64 2.956 -10.007 -9.177 1.00 0.00 C ATOM 1010 CD PRO A 64 2.367 -10.445 -7.865 1.00 0.00 C ATOM 0 HA PRO A 64 3.416 -7.452 -7.113 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.708 -8.100 -9.798 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.682 -8.891 -8.575 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.178 -9.875 -9.929 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.649 -10.755 -9.563 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.427 -10.979 -8.005 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.037 -11.116 -7.327 1.00 0.00 H new ATOM 1018 N LEU A 65 2.279 -5.858 -8.690 1.00 0.00 N ATOM 1019 CA LEU A 65 1.422 -4.834 -9.277 1.00 0.00 C ATOM 1020 C LEU A 65 1.752 -4.629 -10.752 1.00 0.00 C ATOM 1021 O LEU A 65 2.789 -5.083 -11.236 1.00 0.00 O ATOM 1022 CB LEU A 65 1.578 -3.515 -8.520 1.00 0.00 C ATOM 1023 CG LEU A 65 1.492 -3.602 -6.995 1.00 0.00 C ATOM 1024 CD1 LEU A 65 2.317 -2.499 -6.350 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.043 -3.525 -6.537 1.00 0.00 C ATOM 0 H LEU A 65 3.236 -5.555 -8.512 1.00 0.00 H new ATOM 0 HA LEU A 65 0.388 -5.171 -9.198 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.541 -3.079 -8.785 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.809 -2.826 -8.869 1.00 0.00 H new ATOM 0 HG LEU A 65 1.900 -4.563 -6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.244 -2.577 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.360 -2.601 -6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.940 -1.528 -6.670 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.001 -3.588 -5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.392 -2.580 -6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.520 -4.352 -6.971 1.00 0.00 H new ATOM 1037 N ASP A 66 0.864 -3.940 -11.461 1.00 0.00 N ATOM 1038 CA ASP A 66 1.062 -3.671 -12.881 1.00 0.00 C ATOM 1039 C ASP A 66 1.664 -2.285 -13.093 1.00 0.00 C ATOM 1040 O ASP A 66 0.951 -1.281 -13.100 1.00 0.00 O ATOM 1041 CB ASP A 66 -0.265 -3.785 -13.633 1.00 0.00 C ATOM 1042 CG ASP A 66 -0.657 -5.225 -13.900 1.00 0.00 C ATOM 1043 OD1 ASP A 66 0.188 -5.985 -14.417 1.00 0.00 O ATOM 1044 OD2 ASP A 66 -1.810 -5.592 -13.590 1.00 0.00 O ATOM 0 H ASP A 66 0.000 -3.558 -11.076 1.00 0.00 H new ATOM 0 HA ASP A 66 1.758 -4.413 -13.273 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.050 -3.299 -13.054 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.190 -3.250 -14.580 1.00 0.00 H new ATOM 1049 N THR A 67 2.981 -2.238 -13.264 1.00 0.00 N ATOM 1050 CA THR A 67 3.679 -0.975 -13.473 1.00 0.00 C ATOM 1051 C THR A 67 3.229 -0.306 -14.767 1.00 0.00 C ATOM 1052 O THR A 67 3.566 0.848 -15.030 1.00 0.00 O ATOM 1053 CB THR A 67 5.206 -1.178 -13.518 1.00 0.00 C ATOM 1054 OG1 THR A 67 5.548 -2.089 -14.570 1.00 0.00 O ATOM 1055 CG2 THR A 67 5.720 -1.713 -12.190 1.00 0.00 C ATOM 0 H THR A 67 3.586 -3.059 -13.262 1.00 0.00 H new ATOM 0 HA THR A 67 3.430 -0.332 -12.629 1.00 0.00 H new ATOM 0 HB THR A 67 5.674 -0.212 -13.708 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.520 -2.212 -14.593 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.800 -1.848 -12.246 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.484 -1.004 -11.396 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.245 -2.670 -11.975 1.00 0.00 H new ATOM 1063 N SER A 68 2.464 -1.037 -15.571 1.00 0.00 N ATOM 1064 CA SER A 68 1.969 -0.515 -16.839 1.00 0.00 C ATOM 1065 C SER A 68 0.862 0.510 -16.610 1.00 0.00 C ATOM 1066 O SER A 68 0.788 1.525 -17.303 1.00 0.00 O ATOM 1067 CB SER A 68 1.450 -1.655 -17.717 1.00 0.00 C ATOM 1068 OG SER A 68 2.518 -2.441 -18.217 1.00 0.00 O ATOM 0 H SER A 68 2.173 -1.993 -15.367 1.00 0.00 H new ATOM 0 HA SER A 68 2.797 -0.022 -17.348 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.772 -2.283 -17.139 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.876 -1.246 -18.548 1.00 0.00 H new ATOM 0 HG SER A 68 2.160 -3.164 -18.774 1.00 0.00 H new ATOM 1074 N ARG A 69 0.005 0.236 -15.632 1.00 0.00 N ATOM 1075 CA ARG A 69 -1.100 1.133 -15.312 1.00 0.00 C ATOM 1076 C ARG A 69 -0.836 1.873 -14.003 1.00 0.00 C ATOM 1077 O ARG A 69 -1.398 2.941 -13.758 1.00 0.00 O ATOM 1078 CB ARG A 69 -2.409 0.348 -15.211 1.00 0.00 C ATOM 1079 CG ARG A 69 -2.355 -0.803 -14.220 1.00 0.00 C ATOM 1080 CD ARG A 69 -3.746 -1.323 -13.895 1.00 0.00 C ATOM 1081 NE ARG A 69 -4.208 -2.302 -14.875 1.00 0.00 N ATOM 1082 CZ ARG A 69 -4.786 -1.974 -16.026 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -4.971 -0.699 -16.338 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -5.178 -2.922 -16.867 1.00 0.00 N ATOM 0 H ARG A 69 0.054 -0.599 -15.048 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.185 1.866 -16.114 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.209 1.029 -14.921 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.665 -0.043 -16.196 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.750 -1.611 -14.632 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.865 -0.473 -13.304 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.741 -1.777 -12.904 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.446 -0.488 -13.859 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.080 -3.292 -14.665 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.670 0.033 -15.694 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.415 -0.449 -17.222 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.036 -3.904 -16.631 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.621 -2.669 -17.750 1.00 0.00 H new ATOM 1098 N VAL A 70 0.021 1.297 -13.166 1.00 0.00 N ATOM 1099 CA VAL A 70 0.359 1.902 -11.883 1.00 0.00 C ATOM 1100 C VAL A 70 1.722 2.584 -11.939 1.00 0.00 C ATOM 1101 O VAL A 70 2.649 2.090 -12.582 1.00 0.00 O ATOM 1102 CB VAL A 70 0.367 0.855 -10.754 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.543 1.529 -9.402 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -0.909 0.028 -10.785 1.00 0.00 C ATOM 0 H VAL A 70 0.494 0.413 -13.353 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.408 2.647 -11.672 1.00 0.00 H new ATOM 0 HB VAL A 70 1.211 0.184 -10.911 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.546 0.773 -8.616 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.488 2.072 -9.387 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.279 2.225 -9.233 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.886 -0.707 -9.980 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.770 0.683 -10.654 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.986 -0.486 -11.743 1.00 0.00 H new ATOM 1114 N HIS A 71 1.837 3.721 -11.261 1.00 0.00 N ATOM 1115 CA HIS A 71 3.087 4.471 -11.232 1.00 0.00 C ATOM 1116 C HIS A 71 3.612 4.598 -9.805 1.00 0.00 C ATOM 1117 O HIS A 71 3.125 5.417 -9.025 1.00 0.00 O ATOM 1118 CB HIS A 71 2.888 5.860 -11.841 1.00 0.00 C ATOM 1119 CG HIS A 71 2.543 5.831 -13.298 1.00 0.00 C ATOM 1120 ND1 HIS A 71 3.461 6.092 -14.294 1.00 0.00 N ATOM 1121 CD2 HIS A 71 1.373 5.569 -13.926 1.00 0.00 C ATOM 1122 CE1 HIS A 71 2.870 5.993 -15.471 1.00 0.00 C ATOM 1123 NE2 HIS A 71 1.602 5.676 -15.275 1.00 0.00 N ATOM 0 H HIS A 71 1.079 4.143 -10.724 1.00 0.00 H new ATOM 0 HA HIS A 71 3.823 3.926 -11.823 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.095 6.375 -11.299 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.799 6.442 -11.703 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.434 5.322 -13.453 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.342 6.145 -16.430 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.906 5.534 -16.007 1.00 0.00 H new ATOM 1132 N VAL A 72 4.607 3.783 -9.471 1.00 0.00 N ATOM 1133 CA VAL A 72 5.198 3.805 -8.138 1.00 0.00 C ATOM 1134 C VAL A 72 6.592 4.422 -8.165 1.00 0.00 C ATOM 1135 O VAL A 72 7.560 3.776 -8.567 1.00 0.00 O ATOM 1136 CB VAL A 72 5.287 2.388 -7.541 1.00 0.00 C ATOM 1137 CG1 VAL A 72 5.896 2.433 -6.148 1.00 0.00 C ATOM 1138 CG2 VAL A 72 3.913 1.736 -7.509 1.00 0.00 C ATOM 0 H VAL A 72 5.021 3.099 -10.105 1.00 0.00 H new ATOM 0 HA VAL A 72 4.546 4.415 -7.512 1.00 0.00 H new ATOM 0 HB VAL A 72 5.936 1.785 -8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.951 1.423 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.899 2.857 -6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.275 3.051 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.995 0.736 -7.084 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.240 2.336 -6.897 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.519 1.669 -8.523 1.00 0.00 H new ATOM 1148 N ARG A 73 6.687 5.675 -7.733 1.00 0.00 N ATOM 1149 CA ARG A 73 7.962 6.380 -7.708 1.00 0.00 C ATOM 1150 C ARG A 73 8.690 6.141 -6.388 1.00 0.00 C ATOM 1151 O ARG A 73 8.370 6.755 -5.370 1.00 0.00 O ATOM 1152 CB ARG A 73 7.745 7.880 -7.918 1.00 0.00 C ATOM 1153 CG ARG A 73 8.982 8.611 -8.414 1.00 0.00 C ATOM 1154 CD ARG A 73 8.917 10.096 -8.093 1.00 0.00 C ATOM 1155 NE ARG A 73 10.183 10.771 -8.367 1.00 0.00 N ATOM 1156 CZ ARG A 73 10.506 11.958 -7.866 1.00 0.00 C ATOM 1157 NH1 ARG A 73 9.661 12.598 -7.069 1.00 0.00 N ATOM 1158 NH2 ARG A 73 11.677 12.508 -8.161 1.00 0.00 N ATOM 0 H ARG A 73 5.896 6.223 -7.395 1.00 0.00 H new ATOM 0 HA ARG A 73 8.578 5.992 -8.519 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.936 8.025 -8.634 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.422 8.327 -6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.871 8.177 -7.956 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.080 8.474 -9.491 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.124 10.560 -8.680 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.655 10.229 -7.043 1.00 0.00 H new ATOM 0 HE ARG A 73 10.856 10.305 -8.976 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.760 12.179 -6.839 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.912 13.509 -6.686 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.330 12.019 -8.773 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.924 13.420 -7.776 1.00 0.00 H new ATOM 1172 N THR A 74 9.671 5.244 -6.413 1.00 0.00 N ATOM 1173 CA THR A 74 10.442 4.922 -5.220 1.00 0.00 C ATOM 1174 C THR A 74 11.787 5.639 -5.225 1.00 0.00 C ATOM 1175 O THR A 74 12.685 5.290 -5.991 1.00 0.00 O ATOM 1176 CB THR A 74 10.683 3.405 -5.098 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.469 2.694 -5.364 1.00 0.00 O ATOM 1178 CG2 THR A 74 11.193 3.048 -3.710 1.00 0.00 C ATOM 0 H THR A 74 9.950 4.728 -7.247 1.00 0.00 H new ATOM 0 HA THR A 74 9.856 5.259 -4.365 1.00 0.00 H new ATOM 0 HB THR A 74 11.439 3.119 -5.829 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.630 1.731 -5.286 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.356 1.972 -3.648 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.132 3.569 -3.522 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.457 3.347 -2.964 1.00 0.00 H new ATOM 1186 N SER A 75 11.921 6.643 -4.363 1.00 0.00 N ATOM 1187 CA SER A 75 13.156 7.412 -4.271 1.00 0.00 C ATOM 1188 C SER A 75 14.197 6.670 -3.437 1.00 0.00 C ATOM 1189 O SER A 75 13.899 5.648 -2.819 1.00 0.00 O ATOM 1190 CB SER A 75 12.882 8.787 -3.659 1.00 0.00 C ATOM 1191 OG SER A 75 12.567 9.738 -4.661 1.00 0.00 O ATOM 0 H SER A 75 11.189 6.942 -3.719 1.00 0.00 H new ATOM 0 HA SER A 75 13.549 7.543 -5.279 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.058 8.715 -2.950 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.756 9.120 -3.099 1.00 0.00 H new ATOM 0 HG SER A 75 12.844 10.630 -4.364 1.00 0.00 H new ATOM 1197 N ASP A 76 15.418 7.192 -3.426 1.00 0.00 N ATOM 1198 CA ASP A 76 16.504 6.581 -2.668 1.00 0.00 C ATOM 1199 C ASP A 76 16.397 6.931 -1.187 1.00 0.00 C ATOM 1200 O ASP A 76 17.209 6.490 -0.374 1.00 0.00 O ATOM 1201 CB ASP A 76 17.857 7.037 -3.216 1.00 0.00 C ATOM 1202 CG ASP A 76 18.952 6.989 -2.169 1.00 0.00 C ATOM 1203 OD1 ASP A 76 19.567 5.915 -2.004 1.00 0.00 O ATOM 1204 OD2 ASP A 76 19.194 8.024 -1.514 1.00 0.00 O ATOM 0 H ASP A 76 15.681 8.037 -3.933 1.00 0.00 H new ATOM 0 HA ASP A 76 16.424 5.499 -2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 76 18.136 6.404 -4.059 1.00 0.00 H new ATOM 0 HB3 ASP A 76 17.767 8.054 -3.597 1.00 0.00 H new ATOM 1209 N PHE A 77 15.391 7.728 -0.844 1.00 0.00 N ATOM 1210 CA PHE A 77 15.179 8.140 0.539 1.00 0.00 C ATOM 1211 C PHE A 77 13.778 7.762 1.010 1.00 0.00 C ATOM 1212 O PHE A 77 13.582 7.377 2.163 1.00 0.00 O ATOM 1213 CB PHE A 77 15.387 9.649 0.682 1.00 0.00 C ATOM 1214 CG PHE A 77 14.850 10.441 -0.476 1.00 0.00 C ATOM 1215 CD1 PHE A 77 15.463 10.382 -1.717 1.00 0.00 C ATOM 1216 CD2 PHE A 77 13.731 11.244 -0.323 1.00 0.00 C ATOM 1217 CE1 PHE A 77 14.971 11.109 -2.784 1.00 0.00 C ATOM 1218 CE2 PHE A 77 13.234 11.973 -1.387 1.00 0.00 C ATOM 1219 CZ PHE A 77 13.856 11.906 -2.619 1.00 0.00 C ATOM 0 H PHE A 77 14.709 8.102 -1.505 1.00 0.00 H new ATOM 0 HA PHE A 77 15.906 7.619 1.162 1.00 0.00 H new ATOM 0 HB2 PHE A 77 14.905 9.989 1.599 1.00 0.00 H new ATOM 0 HB3 PHE A 77 16.453 9.852 0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 77 16.336 9.760 -1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 77 13.242 11.301 0.638 1.00 0.00 H new ATOM 0 HE1 PHE A 77 15.458 11.054 -3.746 1.00 0.00 H new ATOM 0 HE2 PHE A 77 12.360 12.594 -1.256 1.00 0.00 H new ATOM 0 HZ PHE A 77 13.471 12.476 -3.451 1.00 0.00 H new ATOM 1229 N ASP A 78 12.807 7.875 0.111 1.00 0.00 N ATOM 1230 CA ASP A 78 11.423 7.544 0.433 1.00 0.00 C ATOM 1231 C ASP A 78 10.720 6.920 -0.768 1.00 0.00 C ATOM 1232 O ASP A 78 11.210 6.992 -1.895 1.00 0.00 O ATOM 1233 CB ASP A 78 10.670 8.796 0.887 1.00 0.00 C ATOM 1234 CG ASP A 78 9.196 8.743 0.536 1.00 0.00 C ATOM 1235 OD1 ASP A 78 8.872 8.782 -0.669 1.00 0.00 O ATOM 1236 OD2 ASP A 78 8.367 8.665 1.467 1.00 0.00 O ATOM 0 H ASP A 78 12.952 8.193 -0.847 1.00 0.00 H new ATOM 0 HA ASP A 78 11.428 6.818 1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.780 8.912 1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.119 9.675 0.425 1.00 0.00 H new ATOM 1241 N THR A 79 9.568 6.305 -0.519 1.00 0.00 N ATOM 1242 CA THR A 79 8.798 5.666 -1.578 1.00 0.00 C ATOM 1243 C THR A 79 7.411 6.288 -1.702 1.00 0.00 C ATOM 1244 O THR A 79 6.746 6.552 -0.700 1.00 0.00 O ATOM 1245 CB THR A 79 8.649 4.153 -1.330 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.933 3.547 -2.412 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.920 3.888 -0.021 1.00 0.00 C ATOM 0 H THR A 79 9.148 6.236 0.408 1.00 0.00 H new ATOM 0 HA THR A 79 9.348 5.822 -2.506 1.00 0.00 H new ATOM 0 HB THR A 79 9.646 3.718 -1.266 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.332 3.823 -3.264 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.827 2.813 0.132 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.483 4.325 0.804 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.927 4.336 -0.060 1.00 0.00 H new ATOM 1255 N VAL A 80 6.980 6.519 -2.938 1.00 0.00 N ATOM 1256 CA VAL A 80 5.671 7.109 -3.193 1.00 0.00 C ATOM 1257 C VAL A 80 4.825 6.203 -4.081 1.00 0.00 C ATOM 1258 O VAL A 80 5.347 5.490 -4.937 1.00 0.00 O ATOM 1259 CB VAL A 80 5.799 8.490 -3.862 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.436 9.155 -3.979 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.765 9.371 -3.084 1.00 0.00 C ATOM 0 H VAL A 80 7.518 6.307 -3.778 1.00 0.00 H new ATOM 0 HA VAL A 80 5.182 7.226 -2.226 1.00 0.00 H new ATOM 0 HB VAL A 80 6.197 8.352 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.546 10.130 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.777 8.530 -4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.007 9.282 -2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.843 10.343 -3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.398 9.503 -2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.747 8.899 -3.057 1.00 0.00 H new ATOM 1271 N PHE A 81 3.513 6.238 -3.871 1.00 0.00 N ATOM 1272 CA PHE A 81 2.592 5.420 -4.651 1.00 0.00 C ATOM 1273 C PHE A 81 1.454 6.267 -5.213 1.00 0.00 C ATOM 1274 O PHE A 81 0.824 7.039 -4.489 1.00 0.00 O ATOM 1275 CB PHE A 81 2.025 4.289 -3.790 1.00 0.00 C ATOM 1276 CG PHE A 81 0.882 3.559 -4.435 1.00 0.00 C ATOM 1277 CD1 PHE A 81 -0.416 4.027 -4.308 1.00 0.00 C ATOM 1278 CD2 PHE A 81 1.105 2.406 -5.170 1.00 0.00 C ATOM 1279 CE1 PHE A 81 -1.470 3.357 -4.900 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.056 1.732 -5.765 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.234 2.209 -5.631 1.00 0.00 C ATOM 0 H PHE A 81 3.064 6.824 -3.167 1.00 0.00 H new ATOM 0 HA PHE A 81 3.146 4.989 -5.485 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.821 3.578 -3.569 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.691 4.701 -2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.606 4.926 -3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.111 2.029 -5.279 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.477 3.731 -4.791 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.244 0.834 -6.334 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.056 1.685 -6.097 1.00 0.00 H new ATOM 1291 N PHE A 82 1.196 6.117 -6.508 1.00 0.00 N ATOM 1292 CA PHE A 82 0.135 6.869 -7.168 1.00 0.00 C ATOM 1293 C PHE A 82 -0.669 5.969 -8.102 1.00 0.00 C ATOM 1294 O PHE A 82 -0.166 4.959 -8.593 1.00 0.00 O ATOM 1295 CB PHE A 82 0.725 8.042 -7.953 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.179 8.551 -9.040 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -0.268 7.886 -10.253 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -0.939 9.693 -8.849 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.098 8.352 -11.254 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -1.771 10.164 -9.847 1.00 0.00 C ATOM 1301 CZ PHE A 82 -1.851 9.492 -11.051 1.00 0.00 C ATOM 0 H PHE A 82 1.707 5.482 -7.121 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.535 7.256 -6.400 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.945 8.857 -7.263 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.673 7.734 -8.394 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.318 6.994 -10.417 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.881 10.222 -7.909 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.158 7.825 -12.195 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.358 11.056 -9.686 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.501 9.857 -11.832 1.00 0.00 H new ATOM 1311 N VAL A 83 -1.921 6.345 -8.343 1.00 0.00 N ATOM 1312 CA VAL A 83 -2.795 5.573 -9.218 1.00 0.00 C ATOM 1313 C VAL A 83 -3.689 6.489 -10.048 1.00 0.00 C ATOM 1314 O VAL A 83 -4.303 7.417 -9.522 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.680 4.602 -8.414 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.529 3.754 -9.349 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -2.825 3.724 -7.513 1.00 0.00 C ATOM 0 H VAL A 83 -2.352 7.179 -7.945 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.150 4.999 -9.883 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.350 5.186 -7.783 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.147 3.074 -8.763 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.169 4.402 -9.948 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.880 3.177 -10.007 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.467 3.044 -6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.129 3.147 -8.122 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.266 4.351 -6.818 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.757 6.221 -11.348 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.575 7.021 -12.251 1.00 0.00 C ATOM 1329 C ARG A 84 -6.008 7.125 -11.738 1.00 0.00 C ATOM 1330 O ARG A 84 -6.505 8.221 -11.480 1.00 0.00 O ATOM 1331 CB ARG A 84 -4.567 6.412 -13.655 1.00 0.00 C ATOM 1332 CG ARG A 84 -4.786 7.430 -14.762 1.00 0.00 C ATOM 1333 CD ARG A 84 -5.203 6.759 -16.061 1.00 0.00 C ATOM 1334 NE ARG A 84 -5.418 7.728 -17.133 1.00 0.00 N ATOM 1335 CZ ARG A 84 -4.436 8.398 -17.725 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -3.178 8.206 -17.351 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -4.711 9.263 -18.693 1.00 0.00 N ATOM 0 H ARG A 84 -3.255 5.456 -11.799 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.150 8.024 -12.295 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.614 5.910 -13.818 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.344 5.649 -13.715 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.553 8.142 -14.457 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.869 7.998 -14.922 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.435 6.047 -16.364 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.118 6.190 -15.898 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.374 7.899 -17.444 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.963 7.542 -16.607 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.426 8.722 -17.807 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.677 9.414 -18.983 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.956 9.777 -19.147 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.665 5.979 -11.595 1.00 0.00 N ATOM 1352 CA GLN A 85 -8.041 5.943 -11.114 1.00 0.00 C ATOM 1353 C GLN A 85 -8.171 5.024 -9.903 1.00 0.00 C ATOM 1354 O GLN A 85 -7.742 3.871 -9.938 1.00 0.00 O ATOM 1355 CB GLN A 85 -8.980 5.474 -12.227 1.00 0.00 C ATOM 1356 CG GLN A 85 -8.751 6.180 -13.554 1.00 0.00 C ATOM 1357 CD GLN A 85 -9.795 5.823 -14.593 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -9.572 4.958 -15.441 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -10.942 6.488 -14.533 1.00 0.00 N ATOM 0 H GLN A 85 -6.267 5.064 -11.805 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.320 6.953 -10.813 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.854 4.401 -12.369 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -10.011 5.635 -11.913 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.758 7.258 -13.393 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.763 5.920 -13.933 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.084 7.197 -13.813 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.682 6.290 -15.207 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.764 5.544 -8.834 1.00 0.00 N ATOM 1369 CA ALA A 86 -8.951 4.770 -7.613 1.00 0.00 C ATOM 1370 C ALA A 86 -10.272 4.010 -7.642 1.00 0.00 C ATOM 1371 O ALA A 86 -11.104 4.157 -6.746 1.00 0.00 O ATOM 1372 CB ALA A 86 -8.891 5.682 -6.396 1.00 0.00 C ATOM 0 H ALA A 86 -9.123 6.498 -8.788 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.144 4.041 -7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.032 5.091 -5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.920 6.176 -6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.678 6.433 -6.465 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.460 3.198 -8.677 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.680 2.414 -8.822 1.00 0.00 C ATOM 1380 C ALA A 87 -11.988 1.637 -7.547 1.00 0.00 C ATOM 1381 O ALA A 87 -11.139 1.513 -6.664 1.00 0.00 O ATOM 1382 CB ALA A 87 -11.560 1.465 -10.005 1.00 0.00 C ATOM 0 H ALA A 87 -9.782 3.066 -9.428 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.505 3.102 -9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.478 0.886 -10.101 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.396 2.039 -10.917 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.720 0.789 -9.846 1.00 0.00 H new ATOM 1388 N ARG A 88 -13.208 1.117 -7.456 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.628 0.353 -6.287 1.00 0.00 C ATOM 1390 C ARG A 88 -12.729 -0.862 -6.080 1.00 0.00 C ATOM 1391 O ARG A 88 -12.477 -1.274 -4.948 1.00 0.00 O ATOM 1392 CB ARG A 88 -15.082 -0.095 -6.440 1.00 0.00 C ATOM 1393 CG ARG A 88 -16.090 0.926 -5.936 1.00 0.00 C ATOM 1394 CD ARG A 88 -16.471 1.916 -7.025 1.00 0.00 C ATOM 1395 NE ARG A 88 -17.427 1.348 -7.972 1.00 0.00 N ATOM 1396 CZ ARG A 88 -17.755 1.926 -9.122 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -17.206 3.083 -9.466 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -18.633 1.347 -9.931 1.00 0.00 N ATOM 0 H ARG A 88 -13.923 1.211 -8.178 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.544 0.998 -5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.281 -0.301 -7.492 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.224 -1.031 -5.899 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -16.983 0.412 -5.581 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.671 1.463 -5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -16.899 2.809 -6.569 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.574 2.230 -7.559 1.00 0.00 H new ATOM 0 HE ARG A 88 -17.867 0.458 -7.737 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.530 3.531 -8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.459 3.525 -10.350 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -19.057 0.457 -9.670 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -18.884 1.792 -10.814 1.00 0.00 H new ATOM 1412 N SER A 89 -12.249 -1.432 -7.181 1.00 0.00 N ATOM 1413 CA SER A 89 -11.382 -2.603 -7.120 1.00 0.00 C ATOM 1414 C SER A 89 -10.104 -2.293 -6.347 1.00 0.00 C ATOM 1415 O SER A 89 -9.651 -3.093 -5.529 1.00 0.00 O ATOM 1416 CB SER A 89 -11.035 -3.080 -8.532 1.00 0.00 C ATOM 1417 OG SER A 89 -11.992 -4.012 -9.005 1.00 0.00 O ATOM 0 H SER A 89 -12.446 -1.102 -8.126 1.00 0.00 H new ATOM 0 HA SER A 89 -11.918 -3.395 -6.598 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.990 -2.225 -9.207 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.046 -3.538 -8.532 1.00 0.00 H new ATOM 0 HG SER A 89 -11.749 -4.300 -9.910 1.00 0.00 H new ATOM 1423 N ASP A 90 -9.528 -1.125 -6.612 1.00 0.00 N ATOM 1424 CA ASP A 90 -8.303 -0.707 -5.941 1.00 0.00 C ATOM 1425 C ASP A 90 -8.409 -0.918 -4.434 1.00 0.00 C ATOM 1426 O ASP A 90 -7.408 -1.152 -3.758 1.00 0.00 O ATOM 1427 CB ASP A 90 -8.006 0.762 -6.244 1.00 0.00 C ATOM 1428 CG ASP A 90 -7.654 0.993 -7.701 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -8.321 0.400 -8.574 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -6.712 1.768 -7.967 1.00 0.00 O ATOM 0 H ASP A 90 -9.890 -0.451 -7.287 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.484 -1.320 -6.318 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.874 1.367 -5.983 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.182 1.100 -5.616 1.00 0.00 H new ATOM 1435 N SER A 91 -9.630 -0.830 -3.914 1.00 0.00 N ATOM 1436 CA SER A 91 -9.867 -1.006 -2.486 1.00 0.00 C ATOM 1437 C SER A 91 -9.250 -2.310 -1.990 1.00 0.00 C ATOM 1438 O SER A 91 -9.715 -3.398 -2.328 1.00 0.00 O ATOM 1439 CB SER A 91 -11.368 -0.993 -2.192 1.00 0.00 C ATOM 1440 OG SER A 91 -11.987 -2.184 -2.647 1.00 0.00 O ATOM 0 H SER A 91 -10.470 -0.638 -4.460 1.00 0.00 H new ATOM 0 HA SER A 91 -9.394 -0.178 -1.959 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.531 -0.881 -1.120 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.829 -0.132 -2.676 1.00 0.00 H new ATOM 0 HG SER A 91 -12.487 -1.999 -3.469 1.00 0.00 H new ATOM 1446 N GLY A 92 -8.199 -2.192 -1.185 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.535 -3.368 -0.654 1.00 0.00 C ATOM 1448 C GLY A 92 -6.515 -3.026 0.414 1.00 0.00 C ATOM 1449 O GLY A 92 -6.623 -1.994 1.076 1.00 0.00 O ATOM 0 H GLY A 92 -7.795 -1.303 -0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.280 -4.045 -0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.041 -3.900 -1.467 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.523 -3.894 0.583 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.482 -3.679 1.581 1.00 0.00 C ATOM 1455 C GLU A 93 -3.095 -3.789 0.953 1.00 0.00 C ATOM 1456 O GLU A 93 -2.720 -4.838 0.431 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.619 -4.691 2.721 1.00 0.00 C ATOM 1458 CG GLU A 93 -3.425 -4.716 3.660 1.00 0.00 C ATOM 1459 CD GLU A 93 -2.361 -5.705 3.225 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -2.597 -6.925 3.357 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -1.294 -5.261 2.753 1.00 0.00 O ATOM 0 H GLU A 93 -5.418 -4.752 0.042 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.602 -2.673 1.982 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.517 -4.460 3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.758 -5.686 2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.989 -3.719 3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.763 -4.970 4.665 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.340 -2.698 1.008 1.00 0.00 N ATOM 1469 CA TYR A 94 -0.996 -2.669 0.442 1.00 0.00 C ATOM 1470 C TYR A 94 0.050 -2.984 1.507 1.00 0.00 C ATOM 1471 O TYR A 94 0.080 -2.360 2.567 1.00 0.00 O ATOM 1472 CB TYR A 94 -0.711 -1.301 -0.180 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.458 -1.056 -1.471 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -2.840 -1.178 -1.531 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -0.781 -0.700 -2.631 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.527 -0.955 -2.709 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.459 -0.474 -3.813 1.00 0.00 C ATOM 1478 CZ TYR A 94 -2.832 -0.603 -3.847 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.512 -0.379 -5.022 1.00 0.00 O ATOM 0 H TYR A 94 -2.635 -1.822 1.439 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.939 -3.432 -0.334 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.976 -0.523 0.536 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.359 -1.212 -0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.387 -1.452 -0.641 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.294 -0.598 -2.608 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.602 -1.056 -2.738 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.917 -0.198 -4.706 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.876 -0.139 -5.728 1.00 0.00 H new ATOM 1489 N GLU A 95 0.907 -3.958 1.216 1.00 0.00 N ATOM 1490 CA GLU A 95 1.955 -4.356 2.148 1.00 0.00 C ATOM 1491 C GLU A 95 3.305 -3.783 1.727 1.00 0.00 C ATOM 1492 O GLU A 95 3.841 -4.133 0.674 1.00 0.00 O ATOM 1493 CB GLU A 95 2.041 -5.882 2.231 1.00 0.00 C ATOM 1494 CG GLU A 95 2.610 -6.388 3.546 1.00 0.00 C ATOM 1495 CD GLU A 95 2.526 -7.897 3.676 1.00 0.00 C ATOM 1496 OE1 GLU A 95 1.524 -8.477 3.207 1.00 0.00 O ATOM 1497 OE2 GLU A 95 3.461 -8.497 4.245 1.00 0.00 O ATOM 0 H GLU A 95 0.896 -4.485 0.343 1.00 0.00 H new ATOM 0 HA GLU A 95 1.702 -3.958 3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.045 -6.302 2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.660 -6.248 1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.651 -6.077 3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.071 -5.925 4.373 1.00 0.00 H new ATOM 1504 N LEU A 96 3.850 -2.898 2.555 1.00 0.00 N ATOM 1505 CA LEU A 96 5.137 -2.274 2.269 1.00 0.00 C ATOM 1506 C LEU A 96 6.234 -2.861 3.152 1.00 0.00 C ATOM 1507 O LEU A 96 6.188 -2.743 4.376 1.00 0.00 O ATOM 1508 CB LEU A 96 5.051 -0.762 2.480 1.00 0.00 C ATOM 1509 CG LEU A 96 6.367 0.009 2.363 1.00 0.00 C ATOM 1510 CD1 LEU A 96 7.011 -0.240 1.008 1.00 0.00 C ATOM 1511 CD2 LEU A 96 6.135 1.497 2.580 1.00 0.00 C ATOM 0 H LEU A 96 3.421 -2.597 3.430 1.00 0.00 H new ATOM 0 HA LEU A 96 5.388 -2.475 1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.348 -0.354 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.631 -0.577 3.469 1.00 0.00 H new ATOM 0 HG LEU A 96 7.046 -0.348 3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.946 0.316 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.213 -1.305 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.336 0.090 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.082 2.029 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.439 1.870 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.718 1.659 3.574 1.00 0.00 H new ATOM 1523 N SER A 97 7.220 -3.491 2.522 1.00 0.00 N ATOM 1524 CA SER A 97 8.329 -4.097 3.250 1.00 0.00 C ATOM 1525 C SER A 97 9.668 -3.638 2.681 1.00 0.00 C ATOM 1526 O SER A 97 9.860 -3.604 1.465 1.00 0.00 O ATOM 1527 CB SER A 97 8.232 -5.622 3.190 1.00 0.00 C ATOM 1528 OG SER A 97 6.979 -6.073 3.675 1.00 0.00 O ATOM 0 H SER A 97 7.274 -3.595 1.509 1.00 0.00 H new ATOM 0 HA SER A 97 8.268 -3.777 4.290 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.370 -5.958 2.162 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.035 -6.064 3.780 1.00 0.00 H new ATOM 0 HG SER A 97 6.806 -6.979 3.343 1.00 0.00 H new ATOM 1534 N VAL A 98 10.592 -3.286 3.569 1.00 0.00 N ATOM 1535 CA VAL A 98 11.914 -2.830 3.157 1.00 0.00 C ATOM 1536 C VAL A 98 12.949 -3.940 3.305 1.00 0.00 C ATOM 1537 O VAL A 98 13.195 -4.428 4.407 1.00 0.00 O ATOM 1538 CB VAL A 98 12.367 -1.608 3.978 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.638 -1.012 3.392 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.260 -0.567 4.039 1.00 0.00 C ATOM 0 H VAL A 98 10.449 -3.308 4.579 1.00 0.00 H new ATOM 0 HA VAL A 98 11.838 -2.546 2.108 1.00 0.00 H new ATOM 0 HB VAL A 98 12.583 -1.936 4.995 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.943 -0.150 3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.431 -1.760 3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.453 -0.698 2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.598 0.289 4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.010 -0.242 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.378 -1.001 4.509 1.00 0.00 H new ATOM 1550 N GLN A 99 13.551 -4.332 2.187 1.00 0.00 N ATOM 1551 CA GLN A 99 14.560 -5.385 2.193 1.00 0.00 C ATOM 1552 C GLN A 99 15.965 -4.793 2.213 1.00 0.00 C ATOM 1553 O GLN A 99 16.357 -4.070 1.297 1.00 0.00 O ATOM 1554 CB GLN A 99 14.392 -6.288 0.969 1.00 0.00 C ATOM 1555 CG GLN A 99 14.851 -7.718 1.201 1.00 0.00 C ATOM 1556 CD GLN A 99 14.296 -8.684 0.172 1.00 0.00 C ATOM 1557 OE1 GLN A 99 13.082 -8.847 0.049 1.00 0.00 O ATOM 1558 NE2 GLN A 99 15.184 -9.330 -0.573 1.00 0.00 N ATOM 0 H GLN A 99 13.358 -3.937 1.267 1.00 0.00 H new ATOM 0 HA GLN A 99 14.423 -5.979 3.096 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.343 -6.295 0.674 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.954 -5.865 0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.940 -7.754 1.177 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.543 -8.037 2.197 1.00 0.00 H new ATOM 0 HE21 GLN A 99 16.181 -9.164 -0.437 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.869 -9.993 -1.282 1.00 0.00 H new ATOM 1567 N ILE A 100 16.718 -5.104 3.263 1.00 0.00 N ATOM 1568 CA ILE A 100 18.079 -4.602 3.401 1.00 0.00 C ATOM 1569 C ILE A 100 19.096 -5.731 3.274 1.00 0.00 C ATOM 1570 O ILE A 100 18.761 -6.903 3.441 1.00 0.00 O ATOM 1571 CB ILE A 100 18.284 -3.893 4.753 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.245 -2.784 4.934 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.693 -3.327 4.846 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.572 -1.519 4.171 1.00 0.00 C ATOM 0 H ILE A 100 16.408 -5.701 4.030 1.00 0.00 H new ATOM 0 HA ILE A 100 18.233 -3.883 2.596 1.00 0.00 H new ATOM 0 HB ILE A 100 18.153 -4.622 5.553 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.272 -3.153 4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 100 17.159 -2.547 5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.822 -2.829 5.807 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.417 -4.137 4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 100 19.851 -2.609 4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.793 -0.777 4.346 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.530 -1.126 4.511 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.629 -1.741 3.105 1.00 0.00 H new ATOM 1586 N GLU A 101 20.341 -5.369 2.977 1.00 0.00 N ATOM 1587 CA GLU A 101 21.407 -6.353 2.829 1.00 0.00 C ATOM 1588 C GLU A 101 21.163 -7.560 3.729 1.00 0.00 C ATOM 1589 O GLU A 101 21.122 -8.698 3.262 1.00 0.00 O ATOM 1590 CB GLU A 101 22.762 -5.722 3.158 1.00 0.00 C ATOM 1591 CG GLU A 101 23.385 -4.974 1.992 1.00 0.00 C ATOM 1592 CD GLU A 101 23.470 -5.818 0.735 1.00 0.00 C ATOM 1593 OE1 GLU A 101 24.106 -6.892 0.785 1.00 0.00 O ATOM 1594 OE2 GLU A 101 22.902 -5.405 -0.297 1.00 0.00 O ATOM 0 H GLU A 101 20.635 -4.403 2.834 1.00 0.00 H new ATOM 0 HA GLU A 101 21.413 -6.691 1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.639 -5.035 3.995 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.447 -6.504 3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 101 22.799 -4.079 1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.385 -4.643 2.271 1.00 0.00 H new ATOM 1601 N ASN A 102 21.002 -7.303 5.023 1.00 0.00 N ATOM 1602 CA ASN A 102 20.763 -8.368 5.990 1.00 0.00 C ATOM 1603 C ASN A 102 19.487 -8.106 6.784 1.00 0.00 C ATOM 1604 O ASN A 102 18.788 -9.038 7.182 1.00 0.00 O ATOM 1605 CB ASN A 102 21.953 -8.497 6.943 1.00 0.00 C ATOM 1606 CG ASN A 102 21.701 -9.503 8.050 1.00 0.00 C ATOM 1607 OD1 ASN A 102 20.832 -10.367 7.933 1.00 0.00 O ATOM 1608 ND2 ASN A 102 22.463 -9.394 9.132 1.00 0.00 N ATOM 0 H ASN A 102 21.033 -6.367 5.426 1.00 0.00 H new ATOM 0 HA ASN A 102 20.643 -9.302 5.441 1.00 0.00 H new ATOM 0 HB2 ASN A 102 22.836 -8.796 6.379 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.170 -7.524 7.383 1.00 0.00 H new ATOM 0 HD21 ASN A 102 22.340 -10.042 9.910 1.00 0.00 H new ATOM 0 HD22 ASN A 102 23.171 -8.662 9.185 1.00 0.00 H new ATOM 1615 N MET A 103 19.189 -6.831 7.011 1.00 0.00 N ATOM 1616 CA MET A 103 17.995 -6.446 7.756 1.00 0.00 C ATOM 1617 C MET A 103 16.777 -6.388 6.839 1.00 0.00 C ATOM 1618 O MET A 103 16.906 -6.417 5.615 1.00 0.00 O ATOM 1619 CB MET A 103 18.205 -5.089 8.430 1.00 0.00 C ATOM 1620 CG MET A 103 19.172 -5.136 9.602 1.00 0.00 C ATOM 1621 SD MET A 103 18.976 -3.736 10.722 1.00 0.00 S ATOM 1622 CE MET A 103 17.366 -4.087 11.424 1.00 0.00 C ATOM 0 H MET A 103 19.757 -6.047 6.690 1.00 0.00 H new ATOM 0 HA MET A 103 17.815 -7.201 8.522 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.577 -4.379 7.691 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.243 -4.713 8.778 1.00 0.00 H new ATOM 0 HG2 MET A 103 19.021 -6.063 10.155 1.00 0.00 H new ATOM 0 HG3 MET A 103 20.194 -5.153 9.224 1.00 0.00 H new ATOM 0 HE1 MET A 103 16.739 -3.198 11.358 1.00 0.00 H new ATOM 0 HE2 MET A 103 16.899 -4.903 10.872 1.00 0.00 H new ATOM 0 HE3 MET A 103 17.480 -4.374 12.469 1.00 0.00 H new ATOM 1632 N LYS A 104 15.595 -6.307 7.439 1.00 0.00 N ATOM 1633 CA LYS A 104 14.353 -6.244 6.678 1.00 0.00 C ATOM 1634 C LYS A 104 13.223 -5.668 7.525 1.00 0.00 C ATOM 1635 O LYS A 104 13.227 -5.794 8.750 1.00 0.00 O ATOM 1636 CB LYS A 104 13.968 -7.637 6.175 1.00 0.00 C ATOM 1637 CG LYS A 104 12.548 -7.720 5.641 1.00 0.00 C ATOM 1638 CD LYS A 104 11.563 -8.105 6.732 1.00 0.00 C ATOM 1639 CE LYS A 104 10.374 -8.867 6.166 1.00 0.00 C ATOM 1640 NZ LYS A 104 10.656 -10.324 6.045 1.00 0.00 N ATOM 0 H LYS A 104 15.471 -6.283 8.451 1.00 0.00 H new ATOM 0 HA LYS A 104 14.514 -5.587 5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.661 -7.934 5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 104 14.084 -8.353 6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.262 -6.759 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.504 -8.452 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.067 -8.718 7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.212 -7.207 7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.507 -8.717 6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.117 -8.464 5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.822 -10.808 5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.468 -10.469 5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.876 -10.714 6.984 1.00 0.00 H new ATOM 1654 N ASP A 105 12.258 -5.036 6.866 1.00 0.00 N ATOM 1655 CA ASP A 105 11.121 -4.443 7.560 1.00 0.00 C ATOM 1656 C ASP A 105 9.818 -4.746 6.825 1.00 0.00 C ATOM 1657 O ASP A 105 9.827 -5.128 5.655 1.00 0.00 O ATOM 1658 CB ASP A 105 11.308 -2.930 7.689 1.00 0.00 C ATOM 1659 CG ASP A 105 12.055 -2.545 8.951 1.00 0.00 C ATOM 1660 OD1 ASP A 105 12.418 -3.455 9.727 1.00 0.00 O ATOM 1661 OD2 ASP A 105 12.278 -1.335 9.162 1.00 0.00 O ATOM 0 H ASP A 105 12.240 -4.921 5.853 1.00 0.00 H new ATOM 0 HA ASP A 105 11.066 -4.881 8.557 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.852 -2.559 6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.332 -2.444 7.685 1.00 0.00 H new ATOM 1666 N THR A 106 8.699 -4.573 7.521 1.00 0.00 N ATOM 1667 CA THR A 106 7.388 -4.830 6.936 1.00 0.00 C ATOM 1668 C THR A 106 6.371 -3.789 7.389 1.00 0.00 C ATOM 1669 O THR A 106 6.597 -3.068 8.360 1.00 0.00 O ATOM 1670 CB THR A 106 6.872 -6.232 7.308 1.00 0.00 C ATOM 1671 OG1 THR A 106 7.098 -6.484 8.700 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.563 -7.302 6.476 1.00 0.00 C ATOM 0 H THR A 106 8.674 -4.256 8.490 1.00 0.00 H new ATOM 0 HA THR A 106 7.507 -4.771 5.854 1.00 0.00 H new ATOM 0 HB THR A 106 5.802 -6.267 7.101 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.765 -7.377 8.929 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.182 -8.284 6.757 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.365 -7.125 5.419 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.637 -7.265 6.655 1.00 0.00 H new ATOM 1680 N ALA A 107 5.249 -3.717 6.680 1.00 0.00 N ATOM 1681 CA ALA A 107 4.195 -2.767 7.012 1.00 0.00 C ATOM 1682 C ALA A 107 2.903 -3.099 6.272 1.00 0.00 C ATOM 1683 O ALA A 107 2.923 -3.749 5.227 1.00 0.00 O ATOM 1684 CB ALA A 107 4.642 -1.349 6.687 1.00 0.00 C ATOM 0 H ALA A 107 5.047 -4.306 5.872 1.00 0.00 H new ATOM 0 HA ALA A 107 3.999 -2.839 8.082 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.845 -0.649 6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.534 -1.107 7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.867 -1.273 5.623 1.00 0.00 H new ATOM 1690 N THR A 108 1.779 -2.650 6.823 1.00 0.00 N ATOM 1691 CA THR A 108 0.478 -2.901 6.216 1.00 0.00 C ATOM 1692 C THR A 108 -0.307 -1.606 6.042 1.00 0.00 C ATOM 1693 O THR A 108 -0.385 -0.788 6.960 1.00 0.00 O ATOM 1694 CB THR A 108 -0.355 -3.883 7.062 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.370 -5.103 7.252 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.688 -4.179 6.390 1.00 0.00 C ATOM 0 H THR A 108 1.744 -2.111 7.688 1.00 0.00 H new ATOM 0 HA THR A 108 0.665 -3.343 5.237 1.00 0.00 H new ATOM 0 HB THR A 108 -0.548 -3.421 8.030 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.166 -5.721 7.792 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.259 -4.874 7.005 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.250 -3.252 6.273 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.511 -4.622 5.410 1.00 0.00 H new ATOM 1704 N ILE A 109 -0.887 -1.425 4.861 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.667 -0.229 4.568 1.00 0.00 C ATOM 1706 C ILE A 109 -3.097 -0.588 4.179 1.00 0.00 C ATOM 1707 O ILE A 109 -3.326 -1.515 3.402 1.00 0.00 O ATOM 1708 CB ILE A 109 -1.030 0.595 3.434 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.367 1.068 3.841 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -1.914 1.781 3.080 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.178 1.621 2.689 1.00 0.00 C ATOM 0 H ILE A 109 -0.832 -2.092 4.091 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.680 0.371 5.478 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.936 -0.039 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.272 1.835 4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.908 0.234 4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.450 2.354 2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.890 1.423 2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.036 2.418 3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.156 1.937 3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.304 0.850 1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.659 2.476 2.255 1.00 0.00 H new ATOM 1723 N ARG A 110 -4.056 0.154 4.723 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.465 -0.085 4.432 1.00 0.00 C ATOM 1725 C ARG A 110 -6.030 1.017 3.541 1.00 0.00 C ATOM 1726 O ARG A 110 -5.893 2.203 3.841 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.269 -0.168 5.731 1.00 0.00 C ATOM 1728 CG ARG A 110 -5.953 -1.399 6.565 1.00 0.00 C ATOM 1729 CD ARG A 110 -7.055 -1.687 7.572 1.00 0.00 C ATOM 1730 NE ARG A 110 -6.864 -0.950 8.818 1.00 0.00 N ATOM 1731 CZ ARG A 110 -6.092 -1.374 9.812 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -5.441 -2.524 9.706 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -5.969 -0.646 10.915 1.00 0.00 N ATOM 0 H ARG A 110 -3.883 0.926 5.367 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.545 -1.034 3.902 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.074 0.724 6.327 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.332 -0.165 5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -5.823 -2.260 5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.009 -1.252 7.089 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.020 -1.423 7.139 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.082 -2.756 7.784 1.00 0.00 H new ATOM 0 HE ARG A 110 -7.350 -0.061 8.931 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.532 -3.086 8.859 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.849 -2.847 10.471 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.468 0.240 11.000 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.376 -0.972 11.678 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.666 0.616 2.445 1.00 0.00 N ATOM 1748 CA ILE A 111 -7.252 1.569 1.511 1.00 0.00 C ATOM 1749 C ILE A 111 -8.701 1.211 1.197 1.00 0.00 C ATOM 1750 O ILE A 111 -9.017 0.058 0.903 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.455 1.631 0.195 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -5.024 2.104 0.462 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -7.145 2.552 -0.800 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -4.149 2.108 -0.772 1.00 0.00 C ATOM 0 H ILE A 111 -6.788 -0.362 2.182 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.217 2.545 1.994 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.413 0.630 -0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.055 3.111 0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.572 1.460 1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.569 2.585 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.147 2.176 -1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -7.214 3.555 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.150 2.454 -0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.088 1.098 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.578 2.775 -1.520 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.578 2.208 1.261 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.994 1.999 0.984 1.00 0.00 C ATOM 1768 C ARG A 112 -11.481 2.952 -0.104 1.00 0.00 C ATOM 1769 O ARG A 112 -11.255 4.160 -0.033 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.819 2.195 2.257 1.00 0.00 C ATOM 1771 CG ARG A 112 -13.316 2.046 2.041 1.00 0.00 C ATOM 1772 CD ARG A 112 -14.088 2.234 3.338 1.00 0.00 C ATOM 1773 NE ARG A 112 -15.459 1.742 3.236 1.00 0.00 N ATOM 1774 CZ ARG A 112 -15.786 0.457 3.310 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -14.845 -0.461 3.486 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -17.056 0.087 3.208 1.00 0.00 N ATOM 0 H ARG A 112 -9.333 3.168 1.502 1.00 0.00 H new ATOM 0 HA ARG A 112 -11.123 0.976 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.495 1.472 3.005 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.616 3.186 2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.653 2.777 1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.529 1.059 1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.574 1.711 4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -14.101 3.292 3.602 1.00 0.00 H new ATOM 0 HE ARG A 112 -16.207 2.423 3.100 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -13.867 -0.181 3.565 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -15.099 -1.447 3.543 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.783 0.790 3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -17.306 -0.900 3.265 1.00 0.00 H new ATOM 1790 N VAL A 113 -12.152 2.400 -1.110 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.672 3.200 -2.212 1.00 0.00 C ATOM 1792 C VAL A 113 -14.174 3.419 -2.071 1.00 0.00 C ATOM 1793 O VAL A 113 -14.933 2.474 -1.854 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.387 2.535 -3.572 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -12.850 3.429 -4.712 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.907 2.209 -3.706 1.00 0.00 C ATOM 0 H VAL A 113 -12.348 1.402 -1.184 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.162 4.162 -2.172 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.947 1.602 -3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.640 2.942 -5.664 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -13.922 3.606 -4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.320 4.380 -4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.724 1.740 -4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.324 3.127 -3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.611 1.526 -2.909 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.598 4.673 -2.195 1.00 0.00 N ATOM 1807 CA VAL A 114 -16.010 5.018 -2.083 1.00 0.00 C ATOM 1808 C VAL A 114 -16.519 5.672 -3.362 1.00 0.00 C ATOM 1809 O VAL A 114 -15.799 6.430 -4.012 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.264 5.967 -0.897 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -15.782 5.340 0.402 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.586 7.308 -1.135 1.00 0.00 C ATOM 0 H VAL A 114 -13.983 5.467 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.551 4.087 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.337 6.137 -0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -15.970 6.025 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.317 4.406 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -14.713 5.138 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -15.775 7.967 -0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.512 7.158 -1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -15.984 7.761 -2.043 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.765 5.374 -3.717 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.370 5.934 -4.920 1.00 0.00 C ATOM 1824 C GLU A 115 -18.578 7.439 -4.775 1.00 0.00 C ATOM 1825 O GLU A 115 -19.026 7.918 -3.733 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.707 5.250 -5.211 1.00 0.00 C ATOM 1827 CG GLU A 115 -19.614 3.735 -5.275 1.00 0.00 C ATOM 1828 CD GLU A 115 -20.938 3.083 -5.623 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -21.513 3.430 -6.676 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -21.400 2.225 -4.842 1.00 0.00 O ATOM 0 H GLU A 115 -18.374 4.749 -3.190 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.690 5.757 -5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.424 5.529 -4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.097 5.622 -6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -18.868 3.452 -6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.268 3.355 -4.314 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.248 8.180 -5.827 1.00 0.00 N ATOM 1838 CA LYS A 116 -18.398 9.631 -5.819 1.00 0.00 C ATOM 1839 C LYS A 116 -19.648 10.044 -5.049 1.00 0.00 C ATOM 1840 O LYS A 116 -19.605 10.952 -4.219 1.00 0.00 O ATOM 1841 CB LYS A 116 -18.468 10.165 -7.251 1.00 0.00 C ATOM 1842 CG LYS A 116 -17.230 9.859 -8.076 1.00 0.00 C ATOM 1843 CD LYS A 116 -17.166 10.720 -9.326 1.00 0.00 C ATOM 1844 CE LYS A 116 -17.959 10.104 -10.468 1.00 0.00 C ATOM 1845 NZ LYS A 116 -17.173 9.066 -11.192 1.00 0.00 N ATOM 0 H LYS A 116 -17.875 7.800 -6.697 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.528 10.059 -5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -19.339 9.738 -7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -18.616 11.244 -7.220 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -16.338 10.027 -7.472 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.231 8.806 -8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -17.556 11.714 -9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -16.127 10.846 -9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -18.874 9.659 -10.077 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -18.258 10.886 -11.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -17.748 8.670 -11.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -16.312 9.495 -11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -16.909 8.307 -10.532 1.00 0.00 H new ATOM 1859 N ALA A 117 -20.760 9.372 -5.330 1.00 0.00 N ATOM 1860 CA ALA A 117 -22.021 9.668 -4.661 1.00 0.00 C ATOM 1861 C ALA A 117 -23.103 8.672 -5.065 1.00 0.00 C ATOM 1862 O ALA A 117 -22.867 7.780 -5.879 1.00 0.00 O ATOM 1863 CB ALA A 117 -22.464 11.089 -4.975 1.00 0.00 C ATOM 0 H ALA A 117 -20.813 8.619 -6.016 1.00 0.00 H new ATOM 0 HA ALA A 117 -21.864 9.578 -3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -23.407 11.296 -4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -21.705 11.791 -4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -22.598 11.199 -6.051 1.00 0.00 H new ATOM 1869 N GLY A 118 -24.291 8.831 -4.490 1.00 0.00 N ATOM 1870 CA GLY A 118 -25.392 7.938 -4.802 1.00 0.00 C ATOM 1871 C GLY A 118 -26.342 7.759 -3.635 1.00 0.00 C ATOM 1872 O GLY A 118 -26.191 8.405 -2.598 1.00 0.00 O ATOM 0 H GLY A 118 -24.511 9.562 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -25.942 8.330 -5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -24.995 6.966 -5.096 1.00 0.00 H new TER 1876 GLY A 118