USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 706 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 59 LYS NZ :NH3+ 148:sc= 0.641! (180deg=-0.439!) USER MOD Set 1.2: A 63 TYR OH : rot 15:sc= -0.882 USER MOD Set 2.1: A 41 HIS : no HD1:sc= -12.6! C(o=-13!,f=-13!) USER MOD Set 2.2: A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 27:sc= 0.137 USER MOD Single : A 4 SER OG : rot 180:sc= -0.0531 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00726 USER MOD Single : A 7 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.18) USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= -0.992 (180deg=-1.18) USER MOD Single : A 14 THR OG1 : rot 66:sc= 1.18 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -14:sc= 0.064 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.67) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0593 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.56 USER MOD Single : A 33 GLN : amide:sc= -0.676 K(o=-0.68,f=-1.2!) USER MOD Single : A 34 HIS : no HE2:sc= 0.161 K(o=0.16,f=-0.63) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -0.856 K(o=-0.86,f=-2.6!) USER MOD Single : A 49 SER OG : rot 180:sc=0.000675 USER MOD Single : A 51 LYS NZ :NH3+ 149:sc= -0.355 (180deg=-1.33!) USER MOD Single : A 53 LYS NZ :NH3+ -146:sc= -8.2! (180deg=-11.1!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.585 USER MOD Single : A 60 CYS SG : rot 63:sc= -3.26! USER MOD Single : A 62 GLN : amide:sc= -1.25 X(o=-1.3,f=-1.5) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -31:sc= -2.71! USER MOD Single : B 175 SER OG : rot 63:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 3 14.099 -13.160 0.478 1.00 1.00 N ATOM 2 CA THR A 3 13.638 -11.930 -0.191 1.00 1.00 C ATOM 3 C THR A 3 13.943 -10.700 0.656 1.00 1.00 C ATOM 4 O THR A 3 13.637 -10.660 1.848 1.00 1.00 O ATOM 5 CB THR A 3 12.130 -12.010 -0.451 1.00 1.00 C ATOM 6 OG1 THR A 3 11.843 -13.180 -1.209 1.00 1.00 O ATOM 7 CG2 THR A 3 11.686 -10.770 -1.236 1.00 1.00 C ATOM 0 HA THR A 3 14.170 -11.840 -1.138 1.00 1.00 H new ATOM 0 HB THR A 3 11.595 -12.052 0.498 1.00 1.00 H new ATOM 0 HG1 THR A 3 12.530 -13.858 -1.037 1.00 1.00 H new ATOM 0 HG21 THR A 3 10.614 -10.823 -1.423 1.00 1.00 H new ATOM 0 HG22 THR A 3 11.910 -9.874 -0.657 1.00 1.00 H new ATOM 0 HG23 THR A 3 12.219 -10.731 -2.186 1.00 1.00 H new ATOM 15 N SER A 4 14.544 -9.701 0.026 1.00 1.00 N ATOM 16 CA SER A 4 14.882 -8.466 0.721 1.00 1.00 C ATOM 17 C SER A 4 13.619 -7.751 1.177 1.00 1.00 C ATOM 18 O SER A 4 12.549 -7.925 0.595 1.00 1.00 O ATOM 19 CB SER A 4 15.690 -7.548 -0.197 1.00 1.00 C ATOM 20 OG SER A 4 15.711 -6.237 0.348 1.00 1.00 O ATOM 0 H SER A 4 14.807 -9.720 -0.959 1.00 1.00 H new ATOM 0 HA SER A 4 15.482 -8.716 1.596 1.00 1.00 H new ATOM 0 HB2 SER A 4 16.707 -7.926 -0.304 1.00 1.00 H new ATOM 0 HB3 SER A 4 15.249 -7.532 -1.194 1.00 1.00 H new ATOM 0 HG SER A 4 16.230 -5.647 -0.238 1.00 1.00 H new ATOM 26 N THR A 5 13.750 -6.949 2.225 1.00 1.00 N ATOM 27 CA THR A 5 12.611 -6.216 2.756 1.00 1.00 C ATOM 28 C THR A 5 12.042 -5.295 1.687 1.00 1.00 C ATOM 29 O THR A 5 10.826 -5.179 1.542 1.00 1.00 O ATOM 30 CB THR A 5 13.037 -5.380 3.967 1.00 1.00 C ATOM 31 OG1 THR A 5 13.848 -6.169 4.825 1.00 1.00 O ATOM 32 CG2 THR A 5 11.802 -4.914 4.738 1.00 1.00 C ATOM 0 H THR A 5 14.627 -6.791 2.721 1.00 1.00 H new ATOM 0 HA THR A 5 11.850 -6.933 3.063 1.00 1.00 H new ATOM 0 HB THR A 5 13.598 -4.512 3.620 1.00 1.00 H new ATOM 0 HG1 THR A 5 14.122 -5.634 5.599 1.00 1.00 H new ATOM 0 HG21 THR A 5 12.112 -4.320 5.598 1.00 1.00 H new ATOM 0 HG22 THR A 5 11.173 -4.307 4.086 1.00 1.00 H new ATOM 0 HG23 THR A 5 11.238 -5.782 5.081 1.00 1.00 H new ATOM 40 N LEU A 6 12.923 -4.636 0.942 1.00 1.00 N ATOM 41 CA LEU A 6 12.479 -3.728 -0.100 1.00 1.00 C ATOM 42 C LEU A 6 11.751 -4.487 -1.210 1.00 1.00 C ATOM 43 O LEU A 6 10.697 -4.065 -1.691 1.00 1.00 O ATOM 44 CB LEU A 6 13.702 -2.993 -0.691 1.00 1.00 C ATOM 45 CG LEU A 6 13.298 -1.590 -1.181 1.00 1.00 C ATOM 46 CD1 LEU A 6 12.118 -1.701 -2.153 1.00 1.00 C ATOM 47 CD2 LEU A 6 12.911 -0.694 0.025 1.00 1.00 C ATOM 0 H LEU A 6 13.935 -4.714 1.041 1.00 1.00 H new ATOM 0 HA LEU A 6 11.786 -3.008 0.336 1.00 1.00 H new ATOM 0 HB2 LEU A 6 14.485 -2.911 0.063 1.00 1.00 H new ATOM 0 HB3 LEU A 6 14.116 -3.569 -1.518 1.00 1.00 H new ATOM 0 HG LEU A 6 14.144 -1.136 -1.697 1.00 1.00 H new ATOM 0 HD11 LEU A 6 11.835 -0.706 -2.497 1.00 1.00 H new ATOM 0 HD12 LEU A 6 12.407 -2.312 -3.008 1.00 1.00 H new ATOM 0 HD13 LEU A 6 11.271 -2.164 -1.646 1.00 1.00 H new ATOM 0 HD21 LEU A 6 12.627 0.296 -0.333 1.00 1.00 H new ATOM 0 HD22 LEU A 6 12.072 -1.142 0.557 1.00 1.00 H new ATOM 0 HD23 LEU A 6 13.762 -0.605 0.700 1.00 1.00 H new ATOM 59 N GLN A 7 12.321 -5.610 -1.613 1.00 1.00 N ATOM 60 CA GLN A 7 11.723 -6.399 -2.672 1.00 1.00 C ATOM 61 C GLN A 7 10.341 -6.882 -2.264 1.00 1.00 C ATOM 62 O GLN A 7 9.412 -6.900 -3.073 1.00 1.00 O ATOM 63 CB GLN A 7 12.621 -7.598 -3.002 1.00 1.00 C ATOM 64 CG GLN A 7 12.028 -8.395 -4.173 1.00 1.00 C ATOM 65 CD GLN A 7 11.962 -7.522 -5.421 1.00 1.00 C ATOM 66 OE1 GLN A 7 12.995 -7.138 -5.969 1.00 1.00 O ATOM 67 NE2 GLN A 7 10.797 -7.168 -5.892 1.00 1.00 N ATOM 0 H GLN A 7 13.185 -5.991 -1.228 1.00 1.00 H new ATOM 0 HA GLN A 7 11.623 -5.772 -3.558 1.00 1.00 H new ATOM 0 HB2 GLN A 7 13.623 -7.253 -3.257 1.00 1.00 H new ATOM 0 HB3 GLN A 7 12.719 -8.241 -2.127 1.00 1.00 H new ATOM 0 HG2 GLN A 7 12.638 -9.277 -4.369 1.00 1.00 H new ATOM 0 HG3 GLN A 7 11.030 -8.749 -3.914 1.00 1.00 H new ATOM 0 HE21 GLN A 7 9.943 -7.488 -5.435 1.00 1.00 H new ATOM 0 HE22 GLN A 7 10.740 -6.571 -6.717 1.00 1.00 H new ATOM 76 N LYS A 8 10.207 -7.263 -1.003 1.00 1.00 N ATOM 77 CA LYS A 8 8.930 -7.741 -0.504 1.00 1.00 C ATOM 78 C LYS A 8 7.901 -6.610 -0.490 1.00 1.00 C ATOM 79 O LYS A 8 6.749 -6.799 -0.885 1.00 1.00 O ATOM 80 CB LYS A 8 9.117 -8.326 0.919 1.00 1.00 C ATOM 81 CG LYS A 8 8.521 -9.738 1.014 1.00 1.00 C ATOM 82 CD LYS A 8 6.997 -9.649 0.920 1.00 1.00 C ATOM 83 CE LYS A 8 6.401 -11.040 1.025 1.00 1.00 C ATOM 84 NZ LYS A 8 4.917 -10.960 0.965 1.00 1.00 N ATOM 0 H LYS A 8 10.959 -7.251 -0.314 1.00 1.00 H new ATOM 0 HA LYS A 8 8.559 -8.524 -1.165 1.00 1.00 H new ATOM 0 HB2 LYS A 8 10.178 -8.357 1.167 1.00 1.00 H new ATOM 0 HB3 LYS A 8 8.638 -7.675 1.650 1.00 1.00 H new ATOM 0 HG2 LYS A 8 8.911 -10.365 0.212 1.00 1.00 H new ATOM 0 HG3 LYS A 8 8.812 -10.206 1.954 1.00 1.00 H new ATOM 0 HD2 LYS A 8 6.609 -9.015 1.717 1.00 1.00 H new ATOM 0 HD3 LYS A 8 6.707 -9.188 -0.024 1.00 1.00 H new ATOM 0 HE2 LYS A 8 6.773 -11.667 0.215 1.00 1.00 H new ATOM 0 HE3 LYS A 8 6.711 -11.509 1.959 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 4.518 -11.920 0.952 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 4.563 -10.449 1.799 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 4.631 -10.455 0.102 1.00 1.00 H new ATOM 98 N ALA A 9 8.325 -5.441 -0.025 1.00 1.00 N ATOM 99 CA ALA A 9 7.430 -4.296 0.046 1.00 1.00 C ATOM 100 C ALA A 9 6.872 -3.982 -1.340 1.00 1.00 C ATOM 101 O ALA A 9 5.673 -3.752 -1.507 1.00 1.00 O ATOM 102 CB ALA A 9 8.192 -3.084 0.610 1.00 1.00 C ATOM 0 H ALA A 9 9.274 -5.263 0.305 1.00 1.00 H new ATOM 0 HA ALA A 9 6.595 -4.527 0.707 1.00 1.00 H new ATOM 0 HB1 ALA A 9 7.522 -2.226 0.663 1.00 1.00 H new ATOM 0 HB2 ALA A 9 8.561 -3.319 1.608 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.033 -2.848 -0.042 1.00 1.00 H new ATOM 108 N ILE A 10 7.751 -3.992 -2.333 1.00 1.00 N ATOM 109 CA ILE A 10 7.345 -3.721 -3.705 1.00 1.00 C ATOM 110 C ILE A 10 6.366 -4.800 -4.179 1.00 1.00 C ATOM 111 O ILE A 10 5.401 -4.534 -4.881 1.00 1.00 O ATOM 112 CB ILE A 10 8.565 -3.673 -4.627 1.00 1.00 C ATOM 113 CG1 ILE A 10 9.424 -2.456 -4.276 1.00 1.00 C ATOM 114 CG2 ILE A 10 8.099 -3.561 -6.083 1.00 1.00 C ATOM 115 CD1 ILE A 10 10.760 -2.551 -5.018 1.00 1.00 C ATOM 0 H ILE A 10 8.746 -4.184 -2.215 1.00 1.00 H new ATOM 0 HA ILE A 10 6.851 -2.750 -3.739 1.00 1.00 H new ATOM 0 HB ILE A 10 9.152 -4.582 -4.499 1.00 1.00 H new ATOM 0 HG12 ILE A 10 8.905 -1.538 -4.553 1.00 1.00 H new ATOM 0 HG13 ILE A 10 9.594 -2.414 -3.200 1.00 1.00 H new ATOM 0 HG21 ILE A 10 8.967 -3.527 -6.741 1.00 1.00 H new ATOM 0 HG22 ILE A 10 7.486 -4.426 -6.336 1.00 1.00 H new ATOM 0 HG23 ILE A 10 7.512 -2.651 -6.208 1.00 1.00 H new ATOM 0 HD11 ILE A 10 11.376 -1.686 -4.771 1.00 1.00 H new ATOM 0 HD12 ILE A 10 11.278 -3.462 -4.719 1.00 1.00 H new ATOM 0 HD13 ILE A 10 10.579 -2.572 -6.093 1.00 1.00 H new ATOM 127 N ASP A 11 6.640 -6.035 -3.840 1.00 1.00 N ATOM 128 CA ASP A 11 5.767 -7.111 -4.275 1.00 1.00 C ATOM 129 C ASP A 11 4.346 -6.903 -3.747 1.00 1.00 C ATOM 130 O ASP A 11 3.363 -7.073 -4.483 1.00 1.00 O ATOM 131 CB ASP A 11 6.315 -8.433 -3.758 1.00 1.00 C ATOM 132 CG ASP A 11 5.709 -9.602 -4.527 1.00 1.00 C ATOM 133 OD1 ASP A 11 4.776 -9.373 -5.279 1.00 1.00 O ATOM 134 OD2 ASP A 11 6.183 -10.710 -4.345 1.00 1.00 O ATOM 0 H ASP A 11 7.440 -6.323 -3.277 1.00 1.00 H new ATOM 0 HA ASP A 11 5.731 -7.120 -5.364 1.00 1.00 H new ATOM 0 HB2 ASP A 11 7.400 -8.448 -3.859 1.00 1.00 H new ATOM 0 HB3 ASP A 11 6.092 -8.535 -2.696 1.00 1.00 H new ATOM 139 N LEU A 12 4.238 -6.550 -2.469 1.00 1.00 N ATOM 140 CA LEU A 12 2.936 -6.345 -1.846 1.00 1.00 C ATOM 141 C LEU A 12 2.205 -5.157 -2.452 1.00 1.00 C ATOM 142 O LEU A 12 1.004 -5.224 -2.712 1.00 1.00 O ATOM 143 CB LEU A 12 3.128 -6.092 -0.348 1.00 1.00 C ATOM 144 CG LEU A 12 3.764 -7.323 0.314 1.00 1.00 C ATOM 145 CD1 LEU A 12 4.353 -6.927 1.668 1.00 1.00 C ATOM 146 CD2 LEU A 12 2.720 -8.431 0.519 1.00 1.00 C ATOM 0 H LEU A 12 5.033 -6.401 -1.848 1.00 1.00 H new ATOM 0 HA LEU A 12 2.338 -7.241 -2.015 1.00 1.00 H new ATOM 0 HB2 LEU A 12 3.762 -5.219 -0.196 1.00 1.00 H new ATOM 0 HB3 LEU A 12 2.167 -5.873 0.119 1.00 1.00 H new ATOM 0 HG LEU A 12 4.551 -7.700 -0.339 1.00 1.00 H new ATOM 0 HD11 LEU A 12 4.804 -7.801 2.138 1.00 1.00 H new ATOM 0 HD12 LEU A 12 5.113 -6.159 1.524 1.00 1.00 H new ATOM 0 HD13 LEU A 12 3.562 -6.538 2.309 1.00 1.00 H new ATOM 0 HD21 LEU A 12 3.192 -9.293 0.989 1.00 1.00 H new ATOM 0 HD22 LEU A 12 1.919 -8.062 1.159 1.00 1.00 H new ATOM 0 HD23 LEU A 12 2.307 -8.725 -0.446 1.00 1.00 H new ATOM 158 N VAL A 13 2.931 -4.070 -2.679 1.00 1.00 N ATOM 159 CA VAL A 13 2.322 -2.879 -3.255 1.00 1.00 C ATOM 160 C VAL A 13 1.900 -3.142 -4.701 1.00 1.00 C ATOM 161 O VAL A 13 0.850 -2.680 -5.146 1.00 1.00 O ATOM 162 CB VAL A 13 3.298 -1.691 -3.178 1.00 1.00 C ATOM 163 CG1 VAL A 13 4.294 -1.749 -4.324 1.00 1.00 C ATOM 164 CG2 VAL A 13 2.529 -0.376 -3.260 1.00 1.00 C ATOM 0 H VAL A 13 3.927 -3.988 -2.477 1.00 1.00 H new ATOM 0 HA VAL A 13 1.430 -2.628 -2.680 1.00 1.00 H new ATOM 0 HB VAL A 13 3.832 -1.749 -2.229 1.00 1.00 H new ATOM 0 HG11 VAL A 13 4.977 -0.902 -4.256 1.00 1.00 H new ATOM 0 HG12 VAL A 13 4.861 -2.678 -4.267 1.00 1.00 H new ATOM 0 HG13 VAL A 13 3.759 -1.708 -5.273 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.228 0.458 -3.205 1.00 1.00 H new ATOM 0 HG22 VAL A 13 1.984 -0.331 -4.203 1.00 1.00 H new ATOM 0 HG23 VAL A 13 1.824 -0.314 -2.431 1.00 1.00 H new ATOM 174 N THR A 14 2.732 -3.885 -5.432 1.00 1.00 N ATOM 175 CA THR A 14 2.430 -4.190 -6.825 1.00 1.00 C ATOM 176 C THR A 14 1.078 -4.901 -6.905 1.00 1.00 C ATOM 177 O THR A 14 0.196 -4.521 -7.687 1.00 1.00 O ATOM 178 CB THR A 14 3.538 -5.077 -7.404 1.00 1.00 C ATOM 179 OG1 THR A 14 4.773 -4.365 -7.396 1.00 1.00 O ATOM 180 CG2 THR A 14 3.183 -5.477 -8.836 1.00 1.00 C ATOM 0 H THR A 14 3.607 -4.280 -5.087 1.00 1.00 H new ATOM 0 HA THR A 14 2.379 -3.269 -7.405 1.00 1.00 H new ATOM 0 HB THR A 14 3.636 -5.976 -6.795 1.00 1.00 H new ATOM 0 HG1 THR A 14 5.046 -4.194 -6.470 1.00 1.00 H new ATOM 0 HG21 THR A 14 3.973 -6.107 -9.244 1.00 1.00 H new ATOM 0 HG22 THR A 14 2.242 -6.028 -8.837 1.00 1.00 H new ATOM 0 HG23 THR A 14 3.080 -4.582 -9.449 1.00 1.00 H new ATOM 188 N LYS A 15 0.909 -5.908 -6.067 1.00 1.00 N ATOM 189 CA LYS A 15 -0.351 -6.626 -6.036 1.00 1.00 C ATOM 190 C LYS A 15 -1.462 -5.677 -5.601 1.00 1.00 C ATOM 191 O LYS A 15 -2.552 -5.685 -6.152 1.00 1.00 O ATOM 192 CB LYS A 15 -0.261 -7.797 -5.075 1.00 1.00 C ATOM 193 CG LYS A 15 -1.524 -8.652 -5.198 1.00 1.00 C ATOM 194 CD LYS A 15 -1.448 -9.803 -4.200 1.00 1.00 C ATOM 195 CE LYS A 15 -0.295 -10.750 -4.560 1.00 1.00 C ATOM 196 NZ LYS A 15 -0.531 -12.080 -3.936 1.00 1.00 N ATOM 0 H LYS A 15 1.614 -6.242 -5.410 1.00 1.00 H new ATOM 0 HA LYS A 15 -0.572 -7.010 -7.032 1.00 1.00 H new ATOM 0 HB2 LYS A 15 0.621 -8.397 -5.297 1.00 1.00 H new ATOM 0 HB3 LYS A 15 -0.151 -7.435 -4.053 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -2.409 -8.045 -5.005 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -1.618 -9.040 -6.212 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -1.304 -9.411 -3.193 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -2.390 -10.352 -4.196 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -0.219 -10.853 -5.643 1.00 1.00 H new ATOM 0 HE3 LYS A 15 0.652 -10.336 -4.212 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 0.250 -12.722 -4.180 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -0.582 -11.974 -2.903 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 -1.426 -12.475 -4.289 1.00 1.00 H new ATOM 210 N ALA A 16 -1.184 -4.853 -4.610 1.00 1.00 N ATOM 211 CA ALA A 16 -2.184 -3.917 -4.126 1.00 1.00 C ATOM 212 C ALA A 16 -2.761 -3.094 -5.268 1.00 1.00 C ATOM 213 O ALA A 16 -3.974 -2.876 -5.337 1.00 1.00 O ATOM 214 CB ALA A 16 -1.554 -2.975 -3.095 1.00 1.00 C ATOM 0 H ALA A 16 -0.286 -4.811 -4.128 1.00 1.00 H new ATOM 0 HA ALA A 16 -2.990 -4.489 -3.666 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -2.307 -2.274 -2.734 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -1.169 -3.557 -2.258 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -0.737 -2.422 -3.559 1.00 1.00 H new ATOM 220 N THR A 17 -1.894 -2.630 -6.152 1.00 1.00 N ATOM 221 CA THR A 17 -2.334 -1.820 -7.268 1.00 1.00 C ATOM 222 C THR A 17 -3.208 -2.627 -8.214 1.00 1.00 C ATOM 223 O THR A 17 -4.224 -2.138 -8.705 1.00 1.00 O ATOM 224 CB THR A 17 -1.113 -1.278 -8.036 1.00 1.00 C ATOM 225 OG1 THR A 17 -0.265 -2.361 -8.385 1.00 1.00 O ATOM 226 CG2 THR A 17 -0.324 -0.284 -7.172 1.00 1.00 C ATOM 0 H THR A 17 -0.889 -2.800 -6.117 1.00 1.00 H new ATOM 0 HA THR A 17 -2.920 -0.989 -6.875 1.00 1.00 H new ATOM 0 HB THR A 17 -1.463 -0.765 -8.931 1.00 1.00 H new ATOM 0 HG1 THR A 17 -0.523 -3.157 -7.874 1.00 1.00 H new ATOM 0 HG21 THR A 17 0.534 0.086 -7.734 1.00 1.00 H new ATOM 0 HG22 THR A 17 -0.968 0.552 -6.900 1.00 1.00 H new ATOM 0 HG23 THR A 17 0.023 -0.784 -6.268 1.00 1.00 H new ATOM 234 N GLU A 18 -2.833 -3.876 -8.450 1.00 1.00 N ATOM 235 CA GLU A 18 -3.626 -4.717 -9.342 1.00 1.00 C ATOM 236 C GLU A 18 -5.027 -4.945 -8.755 1.00 1.00 C ATOM 237 O GLU A 18 -6.032 -4.945 -9.476 1.00 1.00 O ATOM 238 CB GLU A 18 -2.884 -6.060 -9.589 1.00 1.00 C ATOM 239 CG GLU A 18 -3.466 -7.186 -8.725 1.00 1.00 C ATOM 240 CD GLU A 18 -2.635 -8.455 -8.842 1.00 1.00 C ATOM 241 OE1 GLU A 18 -1.419 -8.349 -8.839 1.00 1.00 O ATOM 242 OE2 GLU A 18 -3.227 -9.518 -8.926 1.00 1.00 O ATOM 0 H GLU A 18 -2.008 -4.323 -8.050 1.00 1.00 H new ATOM 0 HA GLU A 18 -3.751 -4.215 -10.301 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.959 -6.331 -10.642 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -1.824 -5.939 -9.366 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -3.502 -6.867 -7.683 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -4.492 -7.390 -9.032 1.00 1.00 H new ATOM 249 N GLU A 19 -5.079 -5.157 -7.445 1.00 1.00 N ATOM 250 CA GLU A 19 -6.341 -5.405 -6.776 1.00 1.00 C ATOM 251 C GLU A 19 -7.211 -4.162 -6.841 1.00 1.00 C ATOM 252 O GLU A 19 -8.421 -4.244 -7.043 1.00 1.00 O ATOM 253 CB GLU A 19 -6.084 -5.802 -5.317 1.00 1.00 C ATOM 254 CG GLU A 19 -5.505 -7.227 -5.242 1.00 1.00 C ATOM 255 CD GLU A 19 -6.533 -8.246 -5.727 1.00 1.00 C ATOM 256 OE1 GLU A 19 -7.710 -7.922 -5.711 1.00 1.00 O ATOM 257 OE2 GLU A 19 -6.130 -9.331 -6.112 1.00 1.00 O ATOM 0 H GLU A 19 -4.264 -5.161 -6.832 1.00 1.00 H new ATOM 0 HA GLU A 19 -6.861 -6.222 -7.276 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -5.391 -5.097 -4.858 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -7.014 -5.750 -4.750 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.603 -7.292 -5.851 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.214 -7.455 -4.216 1.00 1.00 H new ATOM 264 N ASP A 20 -6.584 -3.011 -6.689 1.00 1.00 N ATOM 265 CA ASP A 20 -7.313 -1.761 -6.747 1.00 1.00 C ATOM 266 C ASP A 20 -8.010 -1.629 -8.097 1.00 1.00 C ATOM 267 O ASP A 20 -9.156 -1.186 -8.172 1.00 1.00 O ATOM 268 CB ASP A 20 -6.350 -0.591 -6.549 1.00 1.00 C ATOM 269 CG ASP A 20 -7.135 0.697 -6.315 1.00 1.00 C ATOM 270 OD1 ASP A 20 -8.299 0.734 -6.675 1.00 1.00 O ATOM 271 OD2 ASP A 20 -6.559 1.631 -5.778 1.00 1.00 O ATOM 0 H ASP A 20 -5.582 -2.917 -6.526 1.00 1.00 H new ATOM 0 HA ASP A 20 -8.062 -1.749 -5.955 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -5.696 -0.787 -5.700 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -5.711 -0.483 -7.425 1.00 1.00 H new ATOM 276 N LYS A 21 -7.316 -2.029 -9.160 1.00 1.00 N ATOM 277 CA LYS A 21 -7.896 -1.960 -10.490 1.00 1.00 C ATOM 278 C LYS A 21 -9.074 -2.919 -10.590 1.00 1.00 C ATOM 279 O LYS A 21 -10.100 -2.602 -11.200 1.00 1.00 O ATOM 280 CB LYS A 21 -6.851 -2.335 -11.540 1.00 1.00 C ATOM 281 CG LYS A 21 -5.678 -1.352 -11.460 1.00 1.00 C ATOM 282 CD LYS A 21 -4.541 -1.813 -12.390 1.00 1.00 C ATOM 283 CE LYS A 21 -3.202 -1.284 -11.880 1.00 1.00 C ATOM 284 NZ LYS A 21 -2.192 -1.339 -12.970 1.00 1.00 N ATOM 0 H LYS A 21 -6.366 -2.398 -9.124 1.00 1.00 H new ATOM 0 HA LYS A 21 -8.238 -0.941 -10.670 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -6.499 -3.353 -11.373 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -7.294 -2.310 -12.536 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -6.010 -0.353 -11.745 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -5.316 -1.287 -10.434 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -4.517 -2.902 -12.437 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -4.721 -1.454 -13.403 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -3.316 -0.259 -11.528 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -2.866 -1.877 -11.030 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 -1.282 -0.978 -12.619 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -2.075 -2.323 -13.286 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -2.511 -0.754 -13.769 1.00 1.00 H new ATOM 298 N ALA A 22 -8.915 -4.099 -9.996 1.00 1.00 N ATOM 299 CA ALA A 22 -9.970 -5.102 -10.020 1.00 1.00 C ATOM 300 C ALA A 22 -11.110 -4.704 -9.097 1.00 1.00 C ATOM 301 O ALA A 22 -12.000 -5.509 -8.818 1.00 1.00 O ATOM 302 CB ALA A 22 -9.417 -6.464 -9.601 1.00 1.00 C ATOM 0 H ALA A 22 -8.072 -4.381 -9.496 1.00 1.00 H new ATOM 0 HA ALA A 22 -10.352 -5.170 -11.039 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -10.217 -7.204 -9.624 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -8.626 -6.763 -10.289 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -9.013 -6.397 -8.591 1.00 1.00 H new ATOM 308 N LYS A 23 -11.070 -3.460 -8.626 1.00 1.00 N ATOM 309 CA LYS A 23 -12.100 -2.943 -7.729 1.00 1.00 C ATOM 310 C LYS A 23 -12.060 -3.664 -6.390 1.00 1.00 C ATOM 311 O LYS A 23 -13.050 -3.698 -5.664 1.00 1.00 O ATOM 312 CB LYS A 23 -13.490 -3.108 -8.364 1.00 1.00 C ATOM 313 CG LYS A 23 -13.480 -2.585 -9.807 1.00 1.00 C ATOM 314 CD LYS A 23 -13.210 -1.079 -9.810 1.00 1.00 C ATOM 315 CE LYS A 23 -13.450 -0.524 -11.210 1.00 1.00 C ATOM 316 NZ LYS A 23 -13.320 0.959 -11.170 1.00 1.00 N ATOM 0 H LYS A 23 -10.334 -2.790 -8.851 1.00 1.00 H new ATOM 0 HA LYS A 23 -11.904 -1.884 -7.562 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -13.781 -4.158 -8.352 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -14.232 -2.566 -7.778 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -12.715 -3.102 -10.386 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -14.437 -2.793 -10.286 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -13.862 -0.580 -9.093 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -12.184 -0.882 -9.500 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -12.731 -0.947 -11.911 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -14.442 -0.806 -11.562 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -13.482 1.347 -12.121 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -14.023 1.351 -10.511 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -12.364 1.215 -10.850 1.00 1.00 H new ATOM 330 N ASN A 24 -10.910 -4.231 -6.066 1.00 1.00 N ATOM 331 CA ASN A 24 -10.740 -4.945 -4.803 1.00 1.00 C ATOM 332 C ASN A 24 -10.150 -4.009 -3.744 1.00 1.00 C ATOM 333 O ASN A 24 -9.018 -4.172 -3.311 1.00 1.00 O ATOM 334 CB ASN A 24 -9.836 -6.175 -5.019 1.00 1.00 C ATOM 335 CG ASN A 24 -10.650 -7.463 -5.058 1.00 1.00 C ATOM 336 OD1 ASN A 24 -11.790 -7.468 -5.502 1.00 1.00 O ATOM 337 ND2 ASN A 24 -10.110 -8.560 -4.602 1.00 1.00 N ATOM 0 H ASN A 24 -10.079 -4.213 -6.657 1.00 1.00 H new ATOM 0 HA ASN A 24 -11.711 -5.288 -4.447 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -9.284 -6.063 -5.952 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -9.099 -6.232 -4.218 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -10.639 -9.432 -4.614 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -9.159 -8.545 -4.234 1.00 1.00 H new ATOM 344 N TYR A 25 -10.930 -3.023 -3.335 1.00 1.00 N ATOM 345 CA TYR A 25 -10.460 -2.073 -2.333 1.00 1.00 C ATOM 346 C TYR A 25 -10.060 -2.801 -1.054 1.00 1.00 C ATOM 347 O TYR A 25 -9.060 -2.468 -0.438 1.00 1.00 O ATOM 348 CB TYR A 25 -11.570 -1.075 -2.021 1.00 1.00 C ATOM 349 CG TYR A 25 -12.270 -0.670 -3.301 1.00 1.00 C ATOM 350 CD1 TYR A 25 -11.520 -0.275 -4.418 1.00 1.00 C ATOM 351 CD2 TYR A 25 -13.670 -0.698 -3.370 1.00 1.00 C ATOM 352 CE1 TYR A 25 -12.170 0.094 -5.598 1.00 1.00 C ATOM 353 CE2 TYR A 25 -14.320 -0.331 -4.556 1.00 1.00 C ATOM 354 CZ TYR A 25 -13.570 0.066 -5.671 1.00 1.00 C ATOM 355 OH TYR A 25 -14.200 0.430 -6.839 1.00 1.00 O ATOM 0 H TYR A 25 -11.878 -2.858 -3.673 1.00 1.00 H new ATOM 0 HA TYR A 25 -9.589 -1.549 -2.727 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -12.286 -1.518 -1.329 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -11.154 -0.196 -1.530 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -10.441 -0.256 -4.366 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -14.247 -1.002 -2.509 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -11.592 0.402 -6.457 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -15.398 -0.354 -4.611 1.00 1.00 H new ATOM 0 HH TYR A 25 -15.170 0.355 -6.724 1.00 1.00 H new ATOM 365 N GLU A 26 -10.850 -3.790 -0.656 1.00 1.00 N ATOM 366 CA GLU A 26 -10.540 -4.538 0.558 1.00 1.00 C ATOM 367 C GLU A 26 -9.187 -5.223 0.455 1.00 1.00 C ATOM 368 O GLU A 26 -8.321 -5.054 1.324 1.00 1.00 O ATOM 369 CB GLU A 26 -11.630 -5.596 0.791 1.00 1.00 C ATOM 370 CG GLU A 26 -12.850 -4.950 1.435 1.00 1.00 C ATOM 371 CD GLU A 26 -13.970 -5.977 1.587 1.00 1.00 C ATOM 372 OE1 GLU A 26 -13.750 -7.126 1.242 1.00 1.00 O ATOM 373 OE2 GLU A 26 -15.040 -5.600 2.048 1.00 1.00 O ATOM 0 H GLU A 26 -11.694 -4.090 -1.144 1.00 1.00 H new ATOM 0 HA GLU A 26 -10.505 -3.839 1.393 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -11.909 -6.058 -0.156 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -11.247 -6.390 1.432 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -12.583 -4.544 2.411 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -13.193 -4.114 0.825 1.00 1.00 H new ATOM 380 N GLU A 27 -8.996 -5.992 -0.607 1.00 1.00 N ATOM 381 CA GLU A 27 -7.735 -6.695 -0.791 1.00 1.00 C ATOM 382 C GLU A 27 -6.605 -5.691 -1.005 1.00 1.00 C ATOM 383 O GLU A 27 -5.535 -5.802 -0.406 1.00 1.00 O ATOM 384 CB GLU A 27 -7.828 -7.641 -2.003 1.00 1.00 C ATOM 385 CG GLU A 27 -6.853 -8.808 -1.842 1.00 1.00 C ATOM 386 CD GLU A 27 -7.395 -9.805 -0.824 1.00 1.00 C ATOM 387 OE1 GLU A 27 -8.526 -9.633 -0.397 1.00 1.00 O ATOM 388 OE2 GLU A 27 -6.672 -10.720 -0.485 1.00 1.00 O ATOM 0 H GLU A 27 -9.685 -6.144 -1.343 1.00 1.00 H new ATOM 0 HA GLU A 27 -7.527 -7.283 0.103 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -8.846 -8.019 -2.100 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -7.603 -7.094 -2.918 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -6.703 -9.302 -2.802 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -5.880 -8.438 -1.518 1.00 1.00 H new ATOM 395 N ALA A 28 -6.858 -4.706 -1.863 1.00 1.00 N ATOM 396 CA ALA A 28 -5.867 -3.687 -2.153 1.00 1.00 C ATOM 397 C ALA A 28 -5.436 -2.990 -0.875 1.00 1.00 C ATOM 398 O ALA A 28 -4.244 -2.791 -0.651 1.00 1.00 O ATOM 399 CB ALA A 28 -6.437 -2.659 -3.135 1.00 1.00 C ATOM 0 H ALA A 28 -7.739 -4.596 -2.365 1.00 1.00 H new ATOM 0 HA ALA A 28 -4.999 -4.168 -2.604 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -5.684 -1.900 -3.345 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -6.717 -3.158 -4.063 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -7.317 -2.187 -2.697 1.00 1.00 H new ATOM 405 N LEU A 29 -6.399 -2.625 -0.037 1.00 1.00 N ATOM 406 CA LEU A 29 -6.089 -1.946 1.207 1.00 1.00 C ATOM 407 C LEU A 29 -5.177 -2.787 2.075 1.00 1.00 C ATOM 408 O LEU A 29 -4.197 -2.283 2.628 1.00 1.00 O ATOM 409 CB LEU A 29 -7.397 -1.682 1.971 1.00 1.00 C ATOM 410 CG LEU A 29 -7.115 -1.107 3.373 1.00 1.00 C ATOM 411 CD1 LEU A 29 -6.603 0.312 3.273 1.00 1.00 C ATOM 412 CD2 LEU A 29 -8.385 -1.134 4.212 1.00 1.00 C ATOM 0 H LEU A 29 -7.393 -2.788 -0.198 1.00 1.00 H new ATOM 0 HA LEU A 29 -5.581 -1.010 0.973 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -8.017 -0.985 1.407 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -7.962 -2.610 2.062 1.00 1.00 H new ATOM 0 HG LEU A 29 -6.352 -1.723 3.850 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -6.410 0.700 4.273 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -5.680 0.326 2.694 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -7.350 0.934 2.780 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -8.176 -0.726 5.201 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -9.155 -0.534 3.727 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -8.735 -2.162 4.310 1.00 1.00 H new ATOM 424 N ARG A 30 -5.500 -4.062 2.213 1.00 1.00 N ATOM 425 CA ARG A 30 -4.688 -4.929 3.048 1.00 1.00 C ATOM 426 C ARG A 30 -3.250 -4.965 2.540 1.00 1.00 C ATOM 427 O ARG A 30 -2.293 -4.906 3.319 1.00 1.00 O ATOM 428 CB ARG A 30 -5.281 -6.335 3.041 1.00 1.00 C ATOM 429 CG ARG A 30 -6.566 -6.363 3.874 1.00 1.00 C ATOM 430 CD ARG A 30 -7.185 -7.762 3.812 1.00 1.00 C ATOM 431 NE ARG A 30 -6.271 -8.744 4.392 1.00 1.00 N ATOM 432 CZ ARG A 30 -6.244 -8.974 5.703 1.00 1.00 C ATOM 433 NH1 ARG A 30 -7.042 -8.315 6.497 1.00 1.00 N ATOM 434 NH2 ARG A 30 -5.418 -9.859 6.194 1.00 1.00 N ATOM 0 H ARG A 30 -6.300 -4.512 1.768 1.00 1.00 H new ATOM 0 HA ARG A 30 -4.682 -4.541 4.067 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -5.494 -6.644 2.018 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -4.560 -7.045 3.445 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -6.348 -6.096 4.908 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -7.273 -5.624 3.497 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -8.132 -7.773 4.351 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -7.404 -8.025 2.777 1.00 1.00 H new ATOM 0 HE ARG A 30 -5.641 -9.263 3.780 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -7.686 -7.624 6.113 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -7.022 -8.491 7.501 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -4.794 -10.374 5.573 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -5.397 -10.035 7.198 1.00 1.00 H new ATOM 448 N LEU A 31 -3.104 -5.059 1.227 1.00 1.00 N ATOM 449 CA LEU A 31 -1.781 -5.102 0.620 1.00 1.00 C ATOM 450 C LEU A 31 -1.059 -3.771 0.802 1.00 1.00 C ATOM 451 O LEU A 31 0.149 -3.739 1.039 1.00 1.00 O ATOM 452 CB LEU A 31 -1.903 -5.426 -0.866 1.00 1.00 C ATOM 453 CG LEU A 31 -2.562 -6.800 -1.035 1.00 1.00 C ATOM 454 CD1 LEU A 31 -2.963 -6.986 -2.498 1.00 1.00 C ATOM 455 CD2 LEU A 31 -1.598 -7.922 -0.613 1.00 1.00 C ATOM 0 H LEU A 31 -3.879 -5.107 0.565 1.00 1.00 H new ATOM 0 HA LEU A 31 -1.200 -5.881 1.114 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -2.496 -4.662 -1.369 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -0.918 -5.423 -1.332 1.00 1.00 H new ATOM 0 HG LEU A 31 -3.445 -6.850 -0.398 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -3.432 -7.961 -2.625 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -3.667 -6.204 -2.785 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -2.076 -6.925 -3.129 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -2.086 -8.888 -0.741 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -0.702 -7.883 -1.232 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -1.322 -7.791 0.433 1.00 1.00 H new ATOM 467 N TYR A 32 -1.800 -2.673 0.677 1.00 1.00 N ATOM 468 CA TYR A 32 -1.202 -1.351 0.819 1.00 1.00 C ATOM 469 C TYR A 32 -0.580 -1.175 2.203 1.00 1.00 C ATOM 470 O TYR A 32 0.569 -0.742 2.330 1.00 1.00 O ATOM 471 CB TYR A 32 -2.279 -0.264 0.601 1.00 1.00 C ATOM 472 CG TYR A 32 -2.403 0.074 -0.872 1.00 1.00 C ATOM 473 CD1 TYR A 32 -1.301 0.607 -1.552 1.00 1.00 C ATOM 474 CD2 TYR A 32 -3.610 -0.138 -1.551 1.00 1.00 C ATOM 475 CE1 TYR A 32 -1.398 0.922 -2.908 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.707 0.181 -2.910 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.601 0.706 -3.586 1.00 1.00 C ATOM 478 OH TYR A 32 -2.695 1.011 -4.923 1.00 1.00 O ATOM 0 H TYR A 32 -2.801 -2.672 0.481 1.00 1.00 H new ATOM 0 HA TYR A 32 -0.417 -1.252 0.070 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -3.239 -0.613 0.982 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -2.019 0.632 1.165 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -0.373 0.775 -1.025 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -4.462 -0.546 -1.028 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.547 1.331 -3.432 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.636 0.022 -3.437 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.597 0.801 -5.244 1.00 1.00 H new ATOM 488 N GLN A 33 -1.345 -1.502 3.231 1.00 1.00 N ATOM 489 CA GLN A 33 -0.861 -1.362 4.593 1.00 1.00 C ATOM 490 C GLN A 33 0.336 -2.275 4.835 1.00 1.00 C ATOM 491 O GLN A 33 1.328 -1.875 5.454 1.00 1.00 O ATOM 492 CB GLN A 33 -1.985 -1.710 5.575 1.00 1.00 C ATOM 493 CG GLN A 33 -3.106 -0.672 5.468 1.00 1.00 C ATOM 494 CD GLN A 33 -4.241 -1.032 6.421 1.00 1.00 C ATOM 495 OE1 GLN A 33 -4.145 -2.011 7.163 1.00 1.00 O ATOM 496 NE2 GLN A 33 -5.316 -0.292 6.451 1.00 1.00 N ATOM 0 H GLN A 33 -2.295 -1.863 3.150 1.00 1.00 H new ATOM 0 HA GLN A 33 -0.546 -0.330 4.748 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -2.375 -2.704 5.358 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -1.596 -1.736 6.593 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -2.720 0.319 5.707 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -3.478 -0.631 4.444 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -5.395 0.518 5.836 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -6.077 -0.524 7.089 1.00 1.00 H new ATOM 505 N HIS A 34 0.245 -3.501 4.336 1.00 1.00 N ATOM 506 CA HIS A 34 1.335 -4.456 4.510 1.00 1.00 C ATOM 507 C HIS A 34 2.601 -3.960 3.806 1.00 1.00 C ATOM 508 O HIS A 34 3.684 -3.922 4.394 1.00 1.00 O ATOM 509 CB HIS A 34 0.910 -5.827 3.937 1.00 1.00 C ATOM 510 CG HIS A 34 0.273 -6.661 5.015 1.00 1.00 C ATOM 511 ND1 HIS A 34 -1.062 -7.031 4.978 1.00 1.00 N ATOM 512 CD2 HIS A 34 0.779 -7.193 6.172 1.00 1.00 C ATOM 513 CE1 HIS A 34 -1.313 -7.753 6.085 1.00 1.00 C ATOM 514 NE2 HIS A 34 -0.223 -7.882 6.848 1.00 1.00 N ATOM 0 H HIS A 34 -0.558 -3.855 3.816 1.00 1.00 H new ATOM 0 HA HIS A 34 1.553 -4.558 5.573 1.00 1.00 H new ATOM 0 HB2 HIS A 34 0.209 -5.685 3.114 1.00 1.00 H new ATOM 0 HB3 HIS A 34 1.778 -6.345 3.530 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -1.732 -6.798 4.245 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.800 -7.093 6.508 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -2.277 -8.176 6.327 1.00 1.00 H new ATOM 523 N ALA A 35 2.454 -3.582 2.549 1.00 1.00 N ATOM 524 CA ALA A 35 3.588 -3.106 1.776 1.00 1.00 C ATOM 525 C ALA A 35 4.293 -1.968 2.498 1.00 1.00 C ATOM 526 O ALA A 35 5.520 -1.960 2.617 1.00 1.00 O ATOM 527 CB ALA A 35 3.118 -2.642 0.395 1.00 1.00 C ATOM 0 H ALA A 35 1.568 -3.595 2.044 1.00 1.00 H new ATOM 0 HA ALA A 35 4.296 -3.926 1.657 1.00 1.00 H new ATOM 0 HB1 ALA A 35 3.973 -2.286 -0.180 1.00 1.00 H new ATOM 0 HB2 ALA A 35 2.650 -3.475 -0.129 1.00 1.00 H new ATOM 0 HB3 ALA A 35 2.396 -1.834 0.509 1.00 1.00 H new ATOM 533 N VAL A 36 3.512 -1.015 2.984 1.00 1.00 N ATOM 534 CA VAL A 36 4.078 0.121 3.693 1.00 1.00 C ATOM 535 C VAL A 36 4.903 -0.362 4.882 1.00 1.00 C ATOM 536 O VAL A 36 6.005 0.131 5.123 1.00 1.00 O ATOM 537 CB VAL A 36 2.958 1.062 4.171 1.00 1.00 C ATOM 538 CG1 VAL A 36 3.524 2.040 5.218 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.383 1.842 2.962 1.00 1.00 C ATOM 0 H VAL A 36 2.495 -1.005 2.902 1.00 1.00 H new ATOM 0 HA VAL A 36 4.729 0.670 3.013 1.00 1.00 H new ATOM 0 HB VAL A 36 2.157 0.479 4.626 1.00 1.00 H new ATOM 0 HG11 VAL A 36 2.732 2.708 5.558 1.00 1.00 H new ATOM 0 HG12 VAL A 36 3.914 1.479 6.067 1.00 1.00 H new ATOM 0 HG13 VAL A 36 4.326 2.627 4.771 1.00 1.00 H new ATOM 0 HG21 VAL A 36 1.590 2.508 3.302 1.00 1.00 H new ATOM 0 HG22 VAL A 36 3.175 2.429 2.498 1.00 1.00 H new ATOM 0 HG23 VAL A 36 1.979 1.139 2.234 1.00 1.00 H new ATOM 549 N GLU A 37 4.365 -1.320 5.616 1.00 1.00 N ATOM 550 CA GLU A 37 5.071 -1.848 6.777 1.00 1.00 C ATOM 551 C GLU A 37 6.467 -2.317 6.384 1.00 1.00 C ATOM 552 O GLU A 37 7.455 -1.969 7.031 1.00 1.00 O ATOM 553 CB GLU A 37 4.298 -3.030 7.348 1.00 1.00 C ATOM 554 CG GLU A 37 4.819 -3.355 8.750 1.00 1.00 C ATOM 555 CD GLU A 37 3.995 -4.478 9.370 1.00 1.00 C ATOM 556 OE1 GLU A 37 2.928 -4.760 8.850 1.00 1.00 O ATOM 557 OE2 GLU A 37 4.444 -5.041 10.355 1.00 1.00 O ATOM 0 H GLU A 37 3.456 -1.745 5.436 1.00 1.00 H new ATOM 0 HA GLU A 37 5.154 -1.057 7.522 1.00 1.00 H new ATOM 0 HB2 GLU A 37 3.234 -2.796 7.390 1.00 1.00 H new ATOM 0 HB3 GLU A 37 4.408 -3.898 6.698 1.00 1.00 H new ATOM 0 HG2 GLU A 37 5.867 -3.649 8.697 1.00 1.00 H new ATOM 0 HG3 GLU A 37 4.769 -2.467 9.380 1.00 1.00 H new ATOM 564 N TYR A 38 6.539 -3.107 5.322 1.00 1.00 N ATOM 565 CA TYR A 38 7.830 -3.612 4.862 1.00 1.00 C ATOM 566 C TYR A 38 8.737 -2.464 4.431 1.00 1.00 C ATOM 567 O TYR A 38 9.944 -2.494 4.666 1.00 1.00 O ATOM 568 CB TYR A 38 7.651 -4.591 3.691 1.00 1.00 C ATOM 569 CG TYR A 38 7.303 -5.969 4.212 1.00 1.00 C ATOM 570 CD1 TYR A 38 6.047 -6.210 4.770 1.00 1.00 C ATOM 571 CD2 TYR A 38 8.247 -7.000 4.142 1.00 1.00 C ATOM 572 CE1 TYR A 38 5.729 -7.480 5.257 1.00 1.00 C ATOM 573 CE2 TYR A 38 7.930 -8.270 4.628 1.00 1.00 C ATOM 574 CZ TYR A 38 6.670 -8.511 5.187 1.00 1.00 C ATOM 575 OH TYR A 38 6.357 -9.764 5.670 1.00 1.00 O ATOM 0 H TYR A 38 5.736 -3.409 4.770 1.00 1.00 H new ATOM 0 HA TYR A 38 8.294 -4.139 5.696 1.00 1.00 H new ATOM 0 HB2 TYR A 38 6.863 -4.235 3.027 1.00 1.00 H new ATOM 0 HB3 TYR A 38 8.567 -4.637 3.102 1.00 1.00 H new ATOM 0 HD1 TYR A 38 5.320 -5.414 4.825 1.00 1.00 H new ATOM 0 HD2 TYR A 38 9.220 -6.813 3.712 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.756 -7.665 5.688 1.00 1.00 H new ATOM 0 HE2 TYR A 38 8.657 -9.066 4.572 1.00 1.00 H new ATOM 0 HH TYR A 38 7.122 -10.364 5.543 1.00 1.00 H new ATOM 585 N PHE A 39 8.157 -1.458 3.792 1.00 1.00 N ATOM 586 CA PHE A 39 8.942 -0.318 3.332 1.00 1.00 C ATOM 587 C PHE A 39 9.600 0.397 4.514 1.00 1.00 C ATOM 588 O PHE A 39 10.809 0.663 4.504 1.00 1.00 O ATOM 589 CB PHE A 39 8.028 0.665 2.572 1.00 1.00 C ATOM 590 CG PHE A 39 7.929 0.274 1.110 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.073 0.327 0.314 1.00 1.00 C ATOM 592 CD2 PHE A 39 6.706 -0.127 0.552 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.004 -0.024 -1.036 1.00 1.00 C ATOM 594 CE2 PHE A 39 6.639 -0.479 -0.802 1.00 1.00 C ATOM 595 CZ PHE A 39 7.789 -0.427 -1.595 1.00 1.00 C ATOM 0 H PHE A 39 7.160 -1.406 3.582 1.00 1.00 H new ATOM 0 HA PHE A 39 9.726 -0.679 2.666 1.00 1.00 H new ATOM 0 HB2 PHE A 39 7.035 0.670 3.022 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.422 1.678 2.658 1.00 1.00 H new ATOM 0 HD1 PHE A 39 10.014 0.640 0.742 1.00 1.00 H new ATOM 0 HD2 PHE A 39 5.818 -0.164 1.165 1.00 1.00 H new ATOM 0 HE1 PHE A 39 9.892 0.016 -1.649 1.00 1.00 H new ATOM 0 HE2 PHE A 39 5.699 -0.791 -1.233 1.00 1.00 H new ATOM 0 HZ PHE A 39 7.738 -0.698 -2.639 1.00 1.00 H new ATOM 605 N LEU A 40 8.798 0.699 5.522 1.00 1.00 N ATOM 606 CA LEU A 40 9.292 1.383 6.699 1.00 1.00 C ATOM 607 C LEU A 40 10.318 0.521 7.407 1.00 1.00 C ATOM 608 O LEU A 40 11.347 1.007 7.847 1.00 1.00 O ATOM 609 CB LEU A 40 8.133 1.686 7.649 1.00 1.00 C ATOM 610 CG LEU A 40 7.169 2.690 6.993 1.00 1.00 C ATOM 611 CD1 LEU A 40 5.848 2.696 7.762 1.00 1.00 C ATOM 612 CD2 LEU A 40 7.766 4.110 7.003 1.00 1.00 C ATOM 0 H LEU A 40 7.802 0.480 5.546 1.00 1.00 H new ATOM 0 HA LEU A 40 9.761 2.318 6.393 1.00 1.00 H new ATOM 0 HB2 LEU A 40 7.602 0.766 7.895 1.00 1.00 H new ATOM 0 HB3 LEU A 40 8.515 2.093 8.585 1.00 1.00 H new ATOM 0 HG LEU A 40 7.003 2.388 5.959 1.00 1.00 H new ATOM 0 HD11 LEU A 40 5.162 3.406 7.301 1.00 1.00 H new ATOM 0 HD12 LEU A 40 5.409 1.699 7.738 1.00 1.00 H new ATOM 0 HD13 LEU A 40 6.030 2.987 8.796 1.00 1.00 H new ATOM 0 HD21 LEU A 40 7.067 4.802 6.534 1.00 1.00 H new ATOM 0 HD22 LEU A 40 7.949 4.420 8.032 1.00 1.00 H new ATOM 0 HD23 LEU A 40 8.705 4.114 6.450 1.00 1.00 H new ATOM 624 N HIS A 41 10.048 -0.768 7.486 1.00 1.00 N ATOM 625 CA HIS A 41 10.972 -1.688 8.140 1.00 1.00 C ATOM 626 C HIS A 41 12.285 -1.793 7.362 1.00 1.00 C ATOM 627 O HIS A 41 13.334 -2.040 7.928 1.00 1.00 O ATOM 628 CB HIS A 41 10.320 -3.076 8.257 1.00 1.00 C ATOM 629 CG HIS A 41 10.954 -3.846 9.387 1.00 1.00 C ATOM 630 ND1 HIS A 41 12.050 -4.672 9.195 1.00 1.00 N ATOM 631 CD2 HIS A 41 10.658 -3.919 10.727 1.00 1.00 C ATOM 632 CE1 HIS A 41 12.372 -5.202 10.390 1.00 1.00 C ATOM 633 NE2 HIS A 41 11.556 -4.776 11.357 1.00 1.00 N ATOM 0 H HIS A 41 9.205 -1.203 7.111 1.00 1.00 H new ATOM 0 HA HIS A 41 11.197 -1.303 9.135 1.00 1.00 H new ATOM 0 HB2 HIS A 41 9.249 -2.971 8.432 1.00 1.00 H new ATOM 0 HB3 HIS A 41 10.438 -3.623 7.321 1.00 1.00 H new ATOM 0 HD2 HIS A 41 9.852 -3.392 11.216 1.00 1.00 H new ATOM 0 HE1 HIS A 41 13.191 -5.888 10.547 1.00 1.00 H new ATOM 0 HE2 HIS A 41 11.584 -5.025 12.346 1.00 1.00 H new ATOM 642 N ALA A 42 12.216 -1.629 6.060 1.00 1.00 N ATOM 643 CA ALA A 42 13.398 -1.730 5.218 1.00 1.00 C ATOM 644 C ALA A 42 14.346 -0.568 5.438 1.00 1.00 C ATOM 645 O ALA A 42 15.523 -0.764 5.660 1.00 1.00 O ATOM 646 CB ALA A 42 12.975 -1.749 3.745 1.00 1.00 C ATOM 0 H ALA A 42 11.354 -1.424 5.555 1.00 1.00 H new ATOM 0 HA ALA A 42 13.916 -2.652 5.483 1.00 1.00 H new ATOM 0 HB1 ALA A 42 13.860 -1.825 3.113 1.00 1.00 H new ATOM 0 HB2 ALA A 42 12.326 -2.606 3.564 1.00 1.00 H new ATOM 0 HB3 ALA A 42 12.438 -0.830 3.509 1.00 1.00 H new ATOM 652 N ILE A 43 13.816 0.636 5.427 1.00 1.00 N ATOM 653 CA ILE A 43 14.656 1.815 5.633 1.00 1.00 C ATOM 654 C ILE A 43 15.371 1.785 6.980 1.00 1.00 C ATOM 655 O ILE A 43 16.479 2.302 7.113 1.00 1.00 O ATOM 656 CB ILE A 43 13.806 3.083 5.531 1.00 1.00 C ATOM 657 CG1 ILE A 43 12.521 2.903 6.333 1.00 1.00 C ATOM 658 CG2 ILE A 43 13.443 3.343 4.077 1.00 1.00 C ATOM 659 CD1 ILE A 43 11.675 4.180 6.272 1.00 1.00 C ATOM 0 H ILE A 43 12.826 0.832 5.281 1.00 1.00 H new ATOM 0 HA ILE A 43 15.418 1.812 4.854 1.00 1.00 H new ATOM 0 HB ILE A 43 14.376 3.924 5.925 1.00 1.00 H new ATOM 0 HG12 ILE A 43 11.952 2.062 5.937 1.00 1.00 H new ATOM 0 HG13 ILE A 43 12.761 2.666 7.370 1.00 1.00 H new ATOM 0 HG21 ILE A 43 12.838 4.247 4.009 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.354 3.471 3.492 1.00 1.00 H new ATOM 0 HG23 ILE A 43 12.877 2.497 3.686 1.00 1.00 H new ATOM 0 HD11 ILE A 43 10.761 4.039 6.848 1.00 1.00 H new ATOM 0 HD12 ILE A 43 12.242 5.012 6.689 1.00 1.00 H new ATOM 0 HD13 ILE A 43 11.420 4.398 5.235 1.00 1.00 H new ATOM 671 N LYS A 44 14.737 1.176 7.978 1.00 1.00 N ATOM 672 CA LYS A 44 15.354 1.092 9.322 1.00 1.00 C ATOM 673 C LYS A 44 16.314 -0.087 9.462 1.00 1.00 C ATOM 674 O LYS A 44 17.374 0.028 10.077 1.00 1.00 O ATOM 675 CB LYS A 44 14.284 0.966 10.415 1.00 1.00 C ATOM 676 CG LYS A 44 12.999 1.526 9.883 1.00 1.00 C ATOM 677 CD LYS A 44 11.900 1.484 10.936 1.00 1.00 C ATOM 678 CE LYS A 44 12.079 2.640 11.915 1.00 1.00 C ATOM 679 NZ LYS A 44 10.850 2.783 12.735 1.00 1.00 N ATOM 0 H LYS A 44 13.819 0.740 7.898 1.00 1.00 H new ATOM 0 HA LYS A 44 15.917 2.018 9.442 1.00 1.00 H new ATOM 0 HB2 LYS A 44 14.154 -0.078 10.700 1.00 1.00 H new ATOM 0 HB3 LYS A 44 14.591 1.505 11.311 1.00 1.00 H new ATOM 0 HG2 LYS A 44 13.155 2.555 9.558 1.00 1.00 H new ATOM 0 HG3 LYS A 44 12.688 0.958 9.006 1.00 1.00 H new ATOM 0 HD2 LYS A 44 10.923 1.548 10.458 1.00 1.00 H new ATOM 0 HD3 LYS A 44 11.932 0.534 11.470 1.00 1.00 H new ATOM 0 HE2 LYS A 44 12.940 2.457 12.558 1.00 1.00 H new ATOM 0 HE3 LYS A 44 12.277 3.564 11.372 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 10.969 3.571 13.404 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 10.039 2.976 12.114 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 10.681 1.903 13.263 1.00 1.00 H new ATOM 693 N TYR A 45 15.910 -1.240 8.920 1.00 1.00 N ATOM 694 CA TYR A 45 16.710 -2.457 9.032 1.00 1.00 C ATOM 695 C TYR A 45 17.716 -2.568 7.902 1.00 1.00 C ATOM 696 O TYR A 45 18.688 -3.322 7.996 1.00 1.00 O ATOM 697 CB TYR A 45 15.784 -3.684 9.026 1.00 1.00 C ATOM 698 CG TYR A 45 15.101 -3.816 10.372 1.00 1.00 C ATOM 699 CD1 TYR A 45 14.093 -2.921 10.734 1.00 1.00 C ATOM 700 CD2 TYR A 45 15.478 -4.831 11.256 1.00 1.00 C ATOM 701 CE1 TYR A 45 13.459 -3.029 11.971 1.00 1.00 C ATOM 702 CE2 TYR A 45 14.843 -4.946 12.500 1.00 1.00 C ATOM 703 CZ TYR A 45 13.833 -4.045 12.858 1.00 1.00 C ATOM 704 OH TYR A 45 13.207 -4.161 14.082 1.00 1.00 O ATOM 0 H TYR A 45 15.038 -1.353 8.403 1.00 1.00 H new ATOM 0 HA TYR A 45 17.263 -2.414 9.970 1.00 1.00 H new ATOM 0 HB2 TYR A 45 15.038 -3.585 8.237 1.00 1.00 H new ATOM 0 HB3 TYR A 45 16.359 -4.584 8.809 1.00 1.00 H new ATOM 0 HD1 TYR A 45 13.802 -2.138 10.050 1.00 1.00 H new ATOM 0 HD2 TYR A 45 16.258 -5.526 10.981 1.00 1.00 H new ATOM 0 HE1 TYR A 45 12.682 -2.331 12.244 1.00 1.00 H new ATOM 0 HE2 TYR A 45 15.133 -5.730 13.183 1.00 1.00 H new ATOM 0 HH TYR A 45 13.586 -4.920 14.573 1.00 1.00 H new ATOM 714 N GLU A 46 17.500 -1.811 6.826 1.00 1.00 N ATOM 715 CA GLU A 46 18.431 -1.848 5.693 1.00 1.00 C ATOM 716 C GLU A 46 19.588 -0.878 5.909 1.00 1.00 C ATOM 717 O GLU A 46 20.302 -0.961 6.909 1.00 1.00 O ATOM 718 CB GLU A 46 17.696 -1.505 4.399 1.00 1.00 C ATOM 719 CG GLU A 46 16.686 -2.605 4.085 1.00 1.00 C ATOM 720 CD GLU A 46 17.412 -3.847 3.579 1.00 1.00 C ATOM 721 OE1 GLU A 46 18.539 -3.711 3.135 1.00 1.00 O ATOM 722 OE2 GLU A 46 16.831 -4.916 3.647 1.00 1.00 O ATOM 0 H GLU A 46 16.708 -1.178 6.713 1.00 1.00 H new ATOM 0 HA GLU A 46 18.838 -2.856 5.617 1.00 1.00 H new ATOM 0 HB2 GLU A 46 17.187 -0.546 4.500 1.00 1.00 H new ATOM 0 HB3 GLU A 46 18.407 -1.404 3.579 1.00 1.00 H new ATOM 0 HG2 GLU A 46 16.110 -2.848 4.978 1.00 1.00 H new ATOM 0 HG3 GLU A 46 15.977 -2.256 3.334 1.00 1.00 H new ATOM 729 N ALA A 47 19.764 0.036 4.964 1.00 1.00 N ATOM 730 CA ALA A 47 20.836 1.022 5.042 1.00 1.00 C ATOM 731 C ALA A 47 20.891 1.857 3.767 1.00 1.00 C ATOM 732 O ALA A 47 21.879 2.540 3.501 1.00 1.00 O ATOM 733 CB ALA A 47 22.178 0.310 5.253 1.00 1.00 C ATOM 0 H ALA A 47 19.178 0.116 4.133 1.00 1.00 H new ATOM 0 HA ALA A 47 20.639 1.686 5.884 1.00 1.00 H new ATOM 0 HB1 ALA A 47 22.977 1.049 5.311 1.00 1.00 H new ATOM 0 HB2 ALA A 47 22.145 -0.262 6.180 1.00 1.00 H new ATOM 0 HB3 ALA A 47 22.367 -0.364 4.418 1.00 1.00 H new ATOM 739 N HIS A 48 19.823 1.801 2.985 1.00 1.00 N ATOM 740 CA HIS A 48 19.761 2.559 1.742 1.00 1.00 C ATOM 741 C HIS A 48 20.196 4.004 1.980 1.00 1.00 C ATOM 742 O HIS A 48 20.047 4.532 3.083 1.00 1.00 O ATOM 743 CB HIS A 48 18.334 2.533 1.204 1.00 1.00 C ATOM 744 CG HIS A 48 17.854 1.117 1.107 1.00 1.00 C ATOM 745 ND1 HIS A 48 18.290 0.255 0.114 1.00 1.00 N ATOM 746 CD2 HIS A 48 16.971 0.398 1.870 1.00 1.00 C ATOM 747 CE1 HIS A 48 17.674 -0.925 0.305 1.00 1.00 C ATOM 748 NE2 HIS A 48 16.859 -0.892 1.361 1.00 1.00 N ATOM 0 H HIS A 48 18.993 1.243 3.186 1.00 1.00 H new ATOM 0 HA HIS A 48 20.435 2.106 1.015 1.00 1.00 H new ATOM 0 HB2 HIS A 48 17.678 3.105 1.860 1.00 1.00 H new ATOM 0 HB3 HIS A 48 18.297 3.007 0.223 1.00 1.00 H new ATOM 0 HD1 HIS A 48 18.956 0.475 -0.626 1.00 1.00 H new ATOM 0 HD2 HIS A 48 16.443 0.775 2.734 1.00 1.00 H new ATOM 0 HE1 HIS A 48 17.821 -1.793 -0.320 1.00 1.00 H new ATOM 757 N SER A 49 20.741 4.634 0.945 1.00 1.00 N ATOM 758 CA SER A 49 21.204 6.013 1.058 1.00 1.00 C ATOM 759 C SER A 49 20.058 6.936 1.460 1.00 1.00 C ATOM 760 O SER A 49 18.896 6.536 1.466 1.00 1.00 O ATOM 761 CB SER A 49 21.781 6.475 -0.279 1.00 1.00 C ATOM 762 OG SER A 49 22.711 5.509 -0.750 1.00 1.00 O ATOM 0 H SER A 49 20.873 4.216 0.024 1.00 1.00 H new ATOM 0 HA SER A 49 21.975 6.055 1.827 1.00 1.00 H new ATOM 0 HB2 SER A 49 20.980 6.610 -1.006 1.00 1.00 H new ATOM 0 HB3 SER A 49 22.271 7.441 -0.162 1.00 1.00 H new ATOM 0 HG SER A 49 23.081 5.803 -1.609 1.00 1.00 H new ATOM 768 N ASP A 50 20.398 8.174 1.801 1.00 1.00 N ATOM 769 CA ASP A 50 19.393 9.147 2.212 1.00 1.00 C ATOM 770 C ASP A 50 18.429 9.438 1.066 1.00 1.00 C ATOM 771 O ASP A 50 17.237 9.666 1.283 1.00 1.00 O ATOM 772 CB ASP A 50 20.071 10.446 2.657 1.00 1.00 C ATOM 773 CG ASP A 50 20.746 10.245 4.010 1.00 1.00 C ATOM 774 OD1 ASP A 50 20.557 9.190 4.593 1.00 1.00 O ATOM 775 OD2 ASP A 50 21.438 11.151 4.446 1.00 1.00 O ATOM 0 H ASP A 50 21.355 8.526 1.801 1.00 1.00 H new ATOM 0 HA ASP A 50 18.831 8.729 3.047 1.00 1.00 H new ATOM 0 HB2 ASP A 50 20.808 10.754 1.916 1.00 1.00 H new ATOM 0 HB3 ASP A 50 19.334 11.246 2.724 1.00 1.00 H new ATOM 780 N LYS A 51 18.945 9.414 -0.157 1.00 1.00 N ATOM 781 CA LYS A 51 18.111 9.665 -1.327 1.00 1.00 C ATOM 782 C LYS A 51 17.041 8.576 -1.466 1.00 1.00 C ATOM 783 O LYS A 51 15.850 8.862 -1.670 1.00 1.00 O ATOM 784 CB LYS A 51 18.991 9.688 -2.580 1.00 1.00 C ATOM 785 CG LYS A 51 19.865 10.951 -2.570 1.00 1.00 C ATOM 786 CD LYS A 51 20.902 10.888 -3.704 1.00 1.00 C ATOM 787 CE LYS A 51 20.242 11.215 -5.045 1.00 1.00 C ATOM 788 NZ LYS A 51 19.559 12.536 -4.957 1.00 1.00 N ATOM 0 H LYS A 51 19.926 9.226 -0.364 1.00 1.00 H new ATOM 0 HA LYS A 51 17.613 10.628 -1.209 1.00 1.00 H new ATOM 0 HB2 LYS A 51 19.620 8.798 -2.612 1.00 1.00 H new ATOM 0 HB3 LYS A 51 18.369 9.671 -3.475 1.00 1.00 H new ATOM 0 HG2 LYS A 51 19.240 11.836 -2.688 1.00 1.00 H new ATOM 0 HG3 LYS A 51 20.371 11.044 -1.609 1.00 1.00 H new ATOM 0 HD2 LYS A 51 21.710 11.593 -3.507 1.00 1.00 H new ATOM 0 HD3 LYS A 51 21.348 9.894 -3.743 1.00 1.00 H new ATOM 0 HE2 LYS A 51 20.992 11.234 -5.836 1.00 1.00 H new ATOM 0 HE3 LYS A 51 19.523 10.439 -5.307 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 19.576 12.998 -5.889 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 18.573 12.398 -4.657 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 20.051 13.136 -4.264 1.00 1.00 H new ATOM 802 N ALA A 52 17.466 7.329 -1.324 1.00 1.00 N ATOM 803 CA ALA A 52 16.540 6.213 -1.413 1.00 1.00 C ATOM 804 C ALA A 52 15.523 6.300 -0.283 1.00 1.00 C ATOM 805 O ALA A 52 14.328 6.187 -0.501 1.00 1.00 O ATOM 806 CB ALA A 52 17.313 4.901 -1.324 1.00 1.00 C ATOM 0 H ALA A 52 18.436 7.067 -1.148 1.00 1.00 H new ATOM 0 HA ALA A 52 16.013 6.252 -2.366 1.00 1.00 H new ATOM 0 HB1 ALA A 52 16.618 4.064 -1.391 1.00 1.00 H new ATOM 0 HB2 ALA A 52 18.029 4.844 -2.144 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.845 4.856 -0.374 1.00 1.00 H new ATOM 812 N LYS A 53 16.002 6.516 0.926 1.00 1.00 N ATOM 813 CA LYS A 53 15.101 6.615 2.061 1.00 1.00 C ATOM 814 C LYS A 53 13.982 7.605 1.770 1.00 1.00 C ATOM 815 O LYS A 53 12.806 7.299 1.967 1.00 1.00 O ATOM 816 CB LYS A 53 15.886 7.075 3.314 1.00 1.00 C ATOM 817 CG LYS A 53 16.041 5.925 4.313 1.00 1.00 C ATOM 818 CD LYS A 53 17.071 4.881 3.819 1.00 1.00 C ATOM 819 CE LYS A 53 18.035 4.512 4.944 1.00 1.00 C ATOM 820 NZ LYS A 53 18.689 3.222 4.619 1.00 1.00 N ATOM 0 H LYS A 53 16.992 6.625 1.148 1.00 1.00 H new ATOM 0 HA LYS A 53 14.663 5.634 2.243 1.00 1.00 H new ATOM 0 HB2 LYS A 53 16.869 7.440 3.018 1.00 1.00 H new ATOM 0 HB3 LYS A 53 15.366 7.907 3.789 1.00 1.00 H new ATOM 0 HG2 LYS A 53 16.356 6.320 5.279 1.00 1.00 H new ATOM 0 HG3 LYS A 53 15.076 5.442 4.466 1.00 1.00 H new ATOM 0 HD2 LYS A 53 16.554 3.988 3.467 1.00 1.00 H new ATOM 0 HD3 LYS A 53 17.627 5.282 2.972 1.00 1.00 H new ATOM 0 HE2 LYS A 53 18.785 5.293 5.068 1.00 1.00 H new ATOM 0 HE3 LYS A 53 17.498 4.434 5.889 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 18.858 2.688 5.495 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 18.072 2.669 3.990 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 19.596 3.403 4.143 1.00 1.00 H new ATOM 834 N GLU A 54 14.352 8.788 1.317 1.00 1.00 N ATOM 835 CA GLU A 54 13.364 9.805 1.026 1.00 1.00 C ATOM 836 C GLU A 54 12.326 9.254 0.066 1.00 1.00 C ATOM 837 O GLU A 54 11.131 9.517 0.209 1.00 1.00 O ATOM 838 CB GLU A 54 14.062 11.043 0.415 1.00 1.00 C ATOM 839 CG GLU A 54 13.720 12.298 1.219 1.00 1.00 C ATOM 840 CD GLU A 54 12.221 12.561 1.153 1.00 1.00 C ATOM 841 OE1 GLU A 54 11.633 12.263 0.126 1.00 1.00 O ATOM 842 OE2 GLU A 54 11.682 13.055 2.129 1.00 1.00 O ATOM 0 H GLU A 54 15.318 9.065 1.145 1.00 1.00 H new ATOM 0 HA GLU A 54 12.863 10.101 1.947 1.00 1.00 H new ATOM 0 HB2 GLU A 54 15.141 10.892 0.406 1.00 1.00 H new ATOM 0 HB3 GLU A 54 13.749 11.171 -0.621 1.00 1.00 H new ATOM 0 HG2 GLU A 54 14.031 12.172 2.256 1.00 1.00 H new ATOM 0 HG3 GLU A 54 14.266 13.154 0.824 1.00 1.00 H new ATOM 849 N SER A 55 12.785 8.477 -0.904 1.00 1.00 N ATOM 850 CA SER A 55 11.862 7.895 -1.861 1.00 1.00 C ATOM 851 C SER A 55 10.856 6.992 -1.153 1.00 1.00 C ATOM 852 O SER A 55 9.666 7.008 -1.462 1.00 1.00 O ATOM 853 CB SER A 55 12.619 7.092 -2.926 1.00 1.00 C ATOM 854 OG SER A 55 11.710 6.249 -3.618 1.00 1.00 O ATOM 0 H SER A 55 13.767 8.240 -1.046 1.00 1.00 H new ATOM 0 HA SER A 55 11.326 8.709 -2.350 1.00 1.00 H new ATOM 0 HB2 SER A 55 13.110 7.768 -3.626 1.00 1.00 H new ATOM 0 HB3 SER A 55 13.402 6.495 -2.458 1.00 1.00 H new ATOM 0 HG SER A 55 12.193 5.737 -4.300 1.00 1.00 H new ATOM 860 N ILE A 56 11.342 6.182 -0.218 1.00 1.00 N ATOM 861 CA ILE A 56 10.468 5.259 0.490 1.00 1.00 C ATOM 862 C ILE A 56 9.475 6.031 1.356 1.00 1.00 C ATOM 863 O ILE A 56 8.295 5.715 1.391 1.00 1.00 O ATOM 864 CB ILE A 56 11.305 4.348 1.396 1.00 1.00 C ATOM 865 CG1 ILE A 56 12.463 3.733 0.600 1.00 1.00 C ATOM 866 CG2 ILE A 56 10.428 3.215 1.958 1.00 1.00 C ATOM 867 CD1 ILE A 56 11.958 3.124 -0.696 1.00 1.00 C ATOM 0 H ILE A 56 12.322 6.147 0.063 1.00 1.00 H new ATOM 0 HA ILE A 56 9.926 4.663 -0.244 1.00 1.00 H new ATOM 0 HB ILE A 56 11.702 4.946 2.216 1.00 1.00 H new ATOM 0 HG12 ILE A 56 13.208 4.498 0.382 1.00 1.00 H new ATOM 0 HG13 ILE A 56 12.957 2.968 1.199 1.00 1.00 H new ATOM 0 HG21 ILE A 56 11.031 2.573 2.600 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.609 3.642 2.537 1.00 1.00 H new ATOM 0 HG23 ILE A 56 10.022 2.627 1.135 1.00 1.00 H new ATOM 0 HD11 ILE A 56 12.795 2.693 -1.246 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.231 2.344 -0.472 1.00 1.00 H new ATOM 0 HD13 ILE A 56 11.486 3.897 -1.302 1.00 1.00 H new ATOM 879 N ARG A 57 9.975 7.037 2.068 1.00 1.00 N ATOM 880 CA ARG A 57 9.114 7.839 2.937 1.00 1.00 C ATOM 881 C ARG A 57 8.011 8.501 2.110 1.00 1.00 C ATOM 882 O ARG A 57 6.824 8.319 2.375 1.00 1.00 O ATOM 883 CB ARG A 57 9.940 8.911 3.642 1.00 1.00 C ATOM 884 CG ARG A 57 10.951 8.240 4.572 1.00 1.00 C ATOM 885 CD ARG A 57 11.668 9.307 5.402 1.00 1.00 C ATOM 886 NE ARG A 57 12.656 8.689 6.277 1.00 1.00 N ATOM 887 CZ ARG A 57 13.182 9.358 7.298 1.00 1.00 C ATOM 888 NH1 ARG A 57 12.812 10.587 7.535 1.00 1.00 N ATOM 889 NH2 ARG A 57 14.069 8.785 8.065 1.00 1.00 N ATOM 0 H ARG A 57 10.956 7.315 2.063 1.00 1.00 H new ATOM 0 HA ARG A 57 8.660 7.187 3.684 1.00 1.00 H new ATOM 0 HB2 ARG A 57 10.458 9.529 2.908 1.00 1.00 H new ATOM 0 HB3 ARG A 57 9.288 9.573 4.212 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.444 7.533 5.229 1.00 1.00 H new ATOM 0 HG3 ARG A 57 11.675 7.670 3.989 1.00 1.00 H new ATOM 0 HD2 ARG A 57 12.155 10.024 4.742 1.00 1.00 H new ATOM 0 HD3 ARG A 57 10.943 9.863 5.997 1.00 1.00 H new ATOM 0 HE ARG A 57 12.949 7.727 6.103 1.00 1.00 H new ATOM 0 HH11 ARG A 57 12.118 11.035 6.936 1.00 1.00 H new ATOM 0 HH12 ARG A 57 13.216 11.099 8.319 1.00 1.00 H new ATOM 0 HH21 ARG A 57 14.358 7.824 7.881 1.00 1.00 H new ATOM 0 HH22 ARG A 57 14.473 9.298 8.849 1.00 1.00 H new ATOM 903 N ALA A 58 8.405 9.288 1.119 1.00 1.00 N ATOM 904 CA ALA A 58 7.429 9.969 0.278 1.00 1.00 C ATOM 905 C ALA A 58 6.403 8.968 -0.257 1.00 1.00 C ATOM 906 O ALA A 58 5.201 9.164 -0.168 1.00 1.00 O ATOM 907 CB ALA A 58 8.144 10.641 -0.894 1.00 1.00 C ATOM 0 H ALA A 58 9.380 9.470 0.879 1.00 1.00 H new ATOM 0 HA ALA A 58 6.913 10.722 0.874 1.00 1.00 H new ATOM 0 HB1 ALA A 58 7.413 11.150 -1.522 1.00 1.00 H new ATOM 0 HB2 ALA A 58 8.863 11.366 -0.514 1.00 1.00 H new ATOM 0 HB3 ALA A 58 8.666 9.887 -1.483 1.00 1.00 H new ATOM 913 N LYS A 59 6.876 7.880 -0.811 1.00 1.00 N ATOM 914 CA LYS A 59 5.966 6.880 -1.338 1.00 1.00 C ATOM 915 C LYS A 59 5.129 6.257 -0.227 1.00 1.00 C ATOM 916 O LYS A 59 3.941 5.991 -0.399 1.00 1.00 O ATOM 917 CB LYS A 59 6.766 5.818 -2.076 1.00 1.00 C ATOM 918 CG LYS A 59 7.447 6.442 -3.308 1.00 1.00 C ATOM 919 CD LYS A 59 6.430 6.789 -4.413 1.00 1.00 C ATOM 920 CE LYS A 59 5.669 5.535 -4.848 1.00 1.00 C ATOM 921 NZ LYS A 59 5.239 5.701 -6.256 1.00 1.00 N ATOM 0 H LYS A 59 7.867 7.661 -0.911 1.00 1.00 H new ATOM 0 HA LYS A 59 5.275 7.358 -2.032 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.517 5.388 -1.413 1.00 1.00 H new ATOM 0 HB3 LYS A 59 6.110 5.004 -2.385 1.00 1.00 H new ATOM 0 HG2 LYS A 59 7.981 7.344 -3.010 1.00 1.00 H new ATOM 0 HG3 LYS A 59 8.189 5.748 -3.703 1.00 1.00 H new ATOM 0 HD2 LYS A 59 5.729 7.540 -4.048 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.947 7.224 -5.268 1.00 1.00 H new ATOM 0 HE2 LYS A 59 6.304 4.655 -4.749 1.00 1.00 H new ATOM 0 HE3 LYS A 59 4.803 5.377 -4.205 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 5.229 4.774 -6.727 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 4.284 6.113 -6.281 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 5.902 6.333 -6.749 1.00 1.00 H new ATOM 935 N CYS A 60 5.755 6.005 0.899 1.00 1.00 N ATOM 936 CA CYS A 60 5.060 5.395 2.019 1.00 1.00 C ATOM 937 C CYS A 60 3.814 6.201 2.366 1.00 1.00 C ATOM 938 O CYS A 60 2.745 5.637 2.600 1.00 1.00 O ATOM 939 CB CYS A 60 5.992 5.332 3.232 1.00 1.00 C ATOM 940 SG CYS A 60 7.111 3.926 3.059 1.00 1.00 S ATOM 0 H CYS A 60 6.740 6.210 1.068 1.00 1.00 H new ATOM 0 HA CYS A 60 4.760 4.384 1.742 1.00 1.00 H new ATOM 0 HB2 CYS A 60 6.563 6.257 3.314 1.00 1.00 H new ATOM 0 HB3 CYS A 60 5.409 5.236 4.148 1.00 1.00 H new ATOM 0 HG CYS A 60 7.866 4.098 2.015 1.00 1.00 H new ATOM 946 N VAL A 61 3.957 7.520 2.392 1.00 1.00 N ATOM 947 CA VAL A 61 2.832 8.388 2.709 1.00 1.00 C ATOM 948 C VAL A 61 1.777 8.318 1.601 1.00 1.00 C ATOM 949 O VAL A 61 0.580 8.471 1.853 1.00 1.00 O ATOM 950 CB VAL A 61 3.319 9.843 2.896 1.00 1.00 C ATOM 951 CG1 VAL A 61 3.338 10.593 1.559 1.00 1.00 C ATOM 952 CG2 VAL A 61 2.391 10.582 3.847 1.00 1.00 C ATOM 0 H VAL A 61 4.832 8.008 2.199 1.00 1.00 H new ATOM 0 HA VAL A 61 2.379 8.048 3.640 1.00 1.00 H new ATOM 0 HB VAL A 61 4.330 9.805 3.303 1.00 1.00 H new ATOM 0 HG11 VAL A 61 3.684 11.614 1.719 1.00 1.00 H new ATOM 0 HG12 VAL A 61 4.011 10.086 0.867 1.00 1.00 H new ATOM 0 HG13 VAL A 61 2.333 10.613 1.139 1.00 1.00 H new ATOM 0 HG21 VAL A 61 2.741 11.607 3.974 1.00 1.00 H new ATOM 0 HG22 VAL A 61 1.381 10.591 3.436 1.00 1.00 H new ATOM 0 HG23 VAL A 61 2.385 10.079 4.814 1.00 1.00 H new ATOM 962 N GLN A 62 2.237 8.076 0.373 1.00 1.00 N ATOM 963 CA GLN A 62 1.321 7.975 -0.763 1.00 1.00 C ATOM 964 C GLN A 62 0.482 6.705 -0.653 1.00 1.00 C ATOM 965 O GLN A 62 -0.747 6.736 -0.799 1.00 1.00 O ATOM 966 CB GLN A 62 2.110 7.975 -2.077 1.00 1.00 C ATOM 967 CG GLN A 62 2.729 9.361 -2.295 1.00 1.00 C ATOM 968 CD GLN A 62 3.865 9.283 -3.304 1.00 1.00 C ATOM 969 OE1 GLN A 62 3.698 8.741 -4.396 1.00 1.00 O ATOM 970 NE2 GLN A 62 5.025 9.789 -2.989 1.00 1.00 N ATOM 0 H GLN A 62 3.222 7.948 0.141 1.00 1.00 H new ATOM 0 HA GLN A 62 0.653 8.837 -0.753 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.891 7.216 -2.046 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.453 7.722 -2.909 1.00 1.00 H new ATOM 0 HG2 GLN A 62 1.967 10.055 -2.649 1.00 1.00 H new ATOM 0 HG3 GLN A 62 3.101 9.753 -1.348 1.00 1.00 H new ATOM 0 HE21 GLN A 62 5.157 10.237 -2.082 1.00 1.00 H new ATOM 0 HE22 GLN A 62 5.800 9.737 -3.650 1.00 1.00 H new ATOM 979 N TYR A 63 1.152 5.592 -0.385 1.00 1.00 N ATOM 980 CA TYR A 63 0.460 4.322 -0.253 1.00 1.00 C ATOM 981 C TYR A 63 -0.522 4.372 0.903 1.00 1.00 C ATOM 982 O TYR A 63 -1.682 3.986 0.757 1.00 1.00 O ATOM 983 CB TYR A 63 1.474 3.188 -0.030 1.00 1.00 C ATOM 984 CG TYR A 63 2.409 3.057 -1.223 1.00 1.00 C ATOM 985 CD1 TYR A 63 1.899 3.001 -2.523 1.00 1.00 C ATOM 986 CD2 TYR A 63 3.795 3.004 -1.027 1.00 1.00 C ATOM 987 CE1 TYR A 63 2.758 2.903 -3.620 1.00 1.00 C ATOM 988 CE2 TYR A 63 4.656 2.894 -2.124 1.00 1.00 C ATOM 989 CZ TYR A 63 4.136 2.847 -3.422 1.00 1.00 C ATOM 990 OH TYR A 63 4.981 2.756 -4.505 1.00 1.00 O ATOM 0 H TYR A 63 2.163 5.545 -0.256 1.00 1.00 H new ATOM 0 HA TYR A 63 -0.092 4.130 -1.173 1.00 1.00 H new ATOM 0 HB2 TYR A 63 2.053 3.384 0.872 1.00 1.00 H new ATOM 0 HB3 TYR A 63 0.946 2.248 0.129 1.00 1.00 H new ATOM 0 HD1 TYR A 63 0.831 3.034 -2.681 1.00 1.00 H new ATOM 0 HD2 TYR A 63 4.200 3.048 -0.027 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.354 2.871 -4.621 1.00 1.00 H new ATOM 0 HE2 TYR A 63 5.724 2.845 -1.969 1.00 1.00 H new ATOM 0 HH TYR A 63 4.490 2.979 -5.323 1.00 1.00 H new ATOM 1000 N LEU A 64 -0.055 4.843 2.048 1.00 1.00 N ATOM 1001 CA LEU A 64 -0.928 4.920 3.204 1.00 1.00 C ATOM 1002 C LEU A 64 -2.124 5.802 2.897 1.00 1.00 C ATOM 1003 O LEU A 64 -3.259 5.413 3.160 1.00 1.00 O ATOM 1004 CB LEU A 64 -0.157 5.477 4.407 1.00 1.00 C ATOM 1005 CG LEU A 64 0.432 4.337 5.243 1.00 1.00 C ATOM 1006 CD1 LEU A 64 1.509 4.902 6.177 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -0.671 3.646 6.074 1.00 1.00 C ATOM 0 H LEU A 64 0.899 5.170 2.199 1.00 1.00 H new ATOM 0 HA LEU A 64 -1.284 3.918 3.445 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.642 6.133 4.062 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -0.822 6.082 5.024 1.00 1.00 H new ATOM 0 HG LEU A 64 0.873 3.597 4.575 1.00 1.00 H new ATOM 0 HD11 LEU A 64 1.932 4.095 6.775 1.00 1.00 H new ATOM 0 HD12 LEU A 64 2.297 5.366 5.584 1.00 1.00 H new ATOM 0 HD13 LEU A 64 1.064 5.647 6.836 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -0.233 2.839 6.661 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -1.131 4.373 6.743 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -1.429 3.238 5.405 1.00 1.00 H new ATOM 1019 N ASP A 65 -1.885 6.983 2.350 1.00 1.00 N ATOM 1020 CA ASP A 65 -2.977 7.885 2.045 1.00 1.00 C ATOM 1021 C ASP A 65 -4.054 7.145 1.271 1.00 1.00 C ATOM 1022 O ASP A 65 -5.245 7.253 1.578 1.00 1.00 O ATOM 1023 CB ASP A 65 -2.433 9.034 1.196 1.00 1.00 C ATOM 1024 CG ASP A 65 -3.556 9.980 0.796 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -4.630 9.866 1.363 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -3.324 10.806 -0.069 1.00 1.00 O ATOM 0 H ASP A 65 -0.957 7.334 2.112 1.00 1.00 H new ATOM 0 HA ASP A 65 -3.409 8.272 2.968 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -1.673 9.579 1.755 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -1.949 8.637 0.304 1.00 1.00 H new ATOM 1031 N ARG A 66 -3.637 6.369 0.282 1.00 1.00 N ATOM 1032 CA ARG A 66 -4.595 5.605 -0.493 1.00 1.00 C ATOM 1033 C ARG A 66 -5.332 4.624 0.412 1.00 1.00 C ATOM 1034 O ARG A 66 -6.551 4.463 0.324 1.00 1.00 O ATOM 1035 CB ARG A 66 -3.874 4.858 -1.609 1.00 1.00 C ATOM 1036 CG ARG A 66 -3.369 5.862 -2.660 1.00 1.00 C ATOM 1037 CD ARG A 66 -4.545 6.543 -3.380 1.00 1.00 C ATOM 1038 NE ARG A 66 -5.630 5.589 -3.580 1.00 1.00 N ATOM 1039 CZ ARG A 66 -5.649 4.775 -4.630 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -4.690 4.827 -5.511 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -6.621 3.916 -4.770 1.00 1.00 N ATOM 0 H ARG A 66 -2.663 6.254 0.003 1.00 1.00 H new ATOM 0 HA ARG A 66 -5.323 6.284 -0.936 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -3.037 4.292 -1.200 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.548 4.138 -2.073 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -2.747 6.616 -2.178 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -2.741 5.348 -3.387 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -4.899 7.391 -2.793 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -4.214 6.937 -4.341 1.00 1.00 H new ATOM 0 HE ARG A 66 -6.389 5.546 -2.900 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -3.926 5.492 -5.394 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -4.704 4.202 -6.317 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -7.365 3.870 -4.074 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -6.637 3.291 -5.576 1.00 1.00 H new ATOM 1055 N ALA A 67 -4.586 3.954 1.268 1.00 1.00 N ATOM 1056 CA ALA A 67 -5.184 2.987 2.175 1.00 1.00 C ATOM 1057 C ALA A 67 -6.192 3.671 3.097 1.00 1.00 C ATOM 1058 O ALA A 67 -7.209 3.087 3.469 1.00 1.00 O ATOM 1059 CB ALA A 67 -4.089 2.318 3.017 1.00 1.00 C ATOM 0 H ALA A 67 -3.575 4.057 1.357 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.703 2.232 1.585 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -4.542 1.595 3.695 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -3.385 1.808 2.359 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.561 3.076 3.596 1.00 1.00 H new ATOM 1065 N GLU A 68 -5.894 4.907 3.477 1.00 1.00 N ATOM 1066 CA GLU A 68 -6.768 5.658 4.364 1.00 1.00 C ATOM 1067 C GLU A 68 -8.110 5.937 3.710 1.00 1.00 C ATOM 1068 O GLU A 68 -9.154 5.599 4.262 1.00 1.00 O ATOM 1069 CB GLU A 68 -6.109 6.988 4.740 1.00 1.00 C ATOM 1070 CG GLU A 68 -4.937 6.734 5.680 1.00 1.00 C ATOM 1071 CD GLU A 68 -4.229 8.048 5.998 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -4.694 9.076 5.533 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -3.233 8.007 6.700 1.00 1.00 O ATOM 0 H GLU A 68 -5.055 5.408 3.185 1.00 1.00 H new ATOM 0 HA GLU A 68 -6.934 5.056 5.257 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -5.763 7.500 3.842 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -6.837 7.643 5.220 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -5.292 6.271 6.600 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -4.237 6.036 5.221 1.00 1.00 H new ATOM 1080 N LYS A 69 -8.083 6.551 2.534 1.00 1.00 N ATOM 1081 CA LYS A 69 -9.323 6.865 1.841 1.00 1.00 C ATOM 1082 C LYS A 69 -10.090 5.583 1.510 1.00 1.00 C ATOM 1083 O LYS A 69 -11.330 5.549 1.568 1.00 1.00 O ATOM 1084 CB LYS A 69 -9.023 7.652 0.560 1.00 1.00 C ATOM 1085 CG LYS A 69 -8.113 6.826 -0.325 1.00 1.00 C ATOM 1086 CD LYS A 69 -7.738 7.612 -1.589 1.00 1.00 C ATOM 1087 CE LYS A 69 -9.001 7.991 -2.369 1.00 1.00 C ATOM 1088 NZ LYS A 69 -8.657 8.223 -3.797 1.00 1.00 N ATOM 0 H LYS A 69 -7.233 6.836 2.048 1.00 1.00 H new ATOM 0 HA LYS A 69 -9.944 7.478 2.494 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -9.950 7.884 0.035 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -8.549 8.603 0.805 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.211 6.554 0.223 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -8.610 5.896 -0.601 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -7.186 8.512 -1.317 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -7.080 7.012 -2.217 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -9.742 7.196 -2.288 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -9.448 8.889 -1.942 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -9.516 8.480 -4.324 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -7.964 8.996 -3.866 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -8.250 7.356 -4.201 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.350 4.527 1.155 1.00 1.00 N ATOM 1103 CA LEU A 70 -9.977 3.261 0.803 1.00 1.00 C ATOM 1104 C LEU A 70 -10.770 2.719 1.970 1.00 1.00 C ATOM 1105 O LEU A 70 -11.950 2.377 1.838 1.00 1.00 O ATOM 1106 CB LEU A 70 -8.904 2.243 0.368 1.00 1.00 C ATOM 1107 CG LEU A 70 -8.468 2.541 -1.086 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -7.089 1.937 -1.356 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -9.481 1.936 -2.082 1.00 1.00 C ATOM 0 H LEU A 70 -8.331 4.528 1.106 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.661 3.431 -0.028 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -8.044 2.298 1.035 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -9.299 1.230 0.440 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.428 3.622 -1.217 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.792 2.153 -2.382 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -6.362 2.369 -0.669 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -7.129 0.858 -1.209 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -9.163 2.153 -3.102 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -9.531 0.857 -1.939 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -10.465 2.371 -1.909 1.00 1.00 H new ATOM 1121 N LYS A 71 -10.130 2.697 3.108 1.00 1.00 N ATOM 1122 CA LYS A 71 -10.750 2.245 4.340 1.00 1.00 C ATOM 1123 C LYS A 71 -11.790 3.250 4.823 1.00 1.00 C ATOM 1124 O LYS A 71 -12.670 2.909 5.612 1.00 1.00 O ATOM 1125 CB LYS A 71 -9.704 2.044 5.436 1.00 1.00 C ATOM 1126 CG LYS A 71 -10.350 1.327 6.625 1.00 1.00 C ATOM 1127 CD LYS A 71 -9.285 0.969 7.664 1.00 1.00 C ATOM 1128 CE LYS A 71 -8.528 2.233 8.090 1.00 1.00 C ATOM 1129 NZ LYS A 71 -7.916 2.015 9.430 1.00 1.00 N ATOM 0 H LYS A 71 -9.159 2.992 3.215 1.00 1.00 H new ATOM 0 HA LYS A 71 -11.237 1.293 4.130 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -8.868 1.459 5.054 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -9.301 3.006 5.752 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -11.109 1.966 7.076 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -10.855 0.423 6.284 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -9.753 0.504 8.532 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -8.589 0.240 7.248 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -7.755 2.471 7.359 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -9.208 3.084 8.123 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -7.402 2.871 9.720 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -8.663 1.808 10.123 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -7.255 1.214 9.383 1.00 1.00 H new ATOM 1143 N ASP A 72 -11.660 4.503 4.384 1.00 1.00 N ATOM 1144 CA ASP A 72 -12.580 5.553 4.824 1.00 1.00 C ATOM 1145 C ASP A 72 -14.000 5.352 4.296 1.00 1.00 C ATOM 1146 O ASP A 72 -14.970 5.259 5.062 1.00 1.00 O ATOM 1147 CB ASP A 72 -12.070 6.894 4.281 1.00 1.00 C ATOM 1148 CG ASP A 72 -12.790 8.051 4.970 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -13.290 7.840 6.061 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -12.810 9.127 4.401 1.00 1.00 O ATOM 0 H ASP A 72 -10.938 4.813 3.734 1.00 1.00 H new ATOM 0 HA ASP A 72 -12.615 5.525 5.913 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -10.995 6.976 4.445 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -12.233 6.944 3.204 1.00 1.00 H new ATOM 1155 N TYR A 73 -14.120 5.274 2.978 1.00 1.00 N ATOM 1156 CA TYR A 73 -15.440 5.088 2.387 1.00 1.00 C ATOM 1157 C TYR A 73 -15.890 3.642 2.555 1.00 1.00 C ATOM 1158 O TYR A 73 -17.080 3.365 2.673 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.450 5.509 0.911 1.00 1.00 C ATOM 1160 CG TYR A 73 -14.820 4.454 0.050 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -15.530 3.290 -0.270 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.520 4.636 -0.427 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -14.930 2.314 -1.057 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -12.930 3.657 -1.209 1.00 1.00 C ATOM 1165 CZ TYR A 73 -13.630 2.498 -1.521 1.00 1.00 C ATOM 1166 OH TYR A 73 -13.040 1.529 -2.272 1.00 1.00 O ATOM 0 H TYR A 73 -13.347 5.334 2.315 1.00 1.00 H new ATOM 0 HA TYR A 73 -16.148 5.730 2.911 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.475 5.685 0.586 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -14.912 6.450 0.793 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -16.538 3.152 0.093 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -12.976 5.538 -0.187 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -15.471 1.414 -1.308 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -11.924 3.795 -1.577 1.00 1.00 H new ATOM 0 HH TYR A 73 -13.383 0.652 -2.002 1.00 1.00 H new ATOM 1176 N LEU A 74 -14.930 2.722 2.586 1.00 1.00 N ATOM 1177 CA LEU A 74 -15.260 1.314 2.766 1.00 1.00 C ATOM 1178 C LEU A 74 -15.980 1.137 4.102 1.00 1.00 C ATOM 1179 O LEU A 74 -17.020 0.491 4.176 1.00 1.00 O ATOM 1180 CB LEU A 74 -13.980 0.480 2.762 1.00 1.00 C ATOM 1181 CG LEU A 74 -13.550 0.139 1.326 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -12.100 -0.424 1.311 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -14.550 -0.883 0.720 1.00 1.00 C ATOM 0 H LEU A 74 -13.934 2.922 2.491 1.00 1.00 H new ATOM 0 HA LEU A 74 -15.905 0.983 1.952 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -13.183 1.028 3.264 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -14.139 -0.439 3.326 1.00 1.00 H new ATOM 0 HG LEU A 74 -13.560 1.045 0.720 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -11.812 -0.660 0.287 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -11.416 0.321 1.718 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -12.054 -1.328 1.918 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -14.248 -1.127 -0.299 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -14.554 -1.790 1.325 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -15.550 -0.450 0.708 1.00 1.00 H new ATOM 1195 N ARG A 75 -15.420 1.722 5.148 1.00 1.00 N ATOM 1196 CA ARG A 75 -16.040 1.624 6.455 1.00 1.00 C ATOM 1197 C ARG A 75 -17.410 2.273 6.413 1.00 1.00 C ATOM 1198 O ARG A 75 -18.380 1.732 6.949 1.00 1.00 O ATOM 1199 CB ARG A 75 -15.160 2.307 7.503 1.00 1.00 C ATOM 1200 CG ARG A 75 -15.880 2.317 8.851 1.00 1.00 C ATOM 1201 CD ARG A 75 -14.930 2.815 9.938 1.00 1.00 C ATOM 1202 NE ARG A 75 -14.670 4.236 9.767 1.00 1.00 N ATOM 1203 CZ ARG A 75 -13.800 4.869 10.545 1.00 1.00 C ATOM 1204 NH1 ARG A 75 -13.160 4.215 11.480 1.00 1.00 N ATOM 1205 NH2 ARG A 75 -13.580 6.143 10.377 1.00 1.00 N ATOM 0 H ARG A 75 -14.554 2.260 5.119 1.00 1.00 H new ATOM 0 HA ARG A 75 -16.151 0.574 6.727 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -14.209 1.782 7.592 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -14.933 3.327 7.193 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -16.759 2.960 8.800 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -16.232 1.314 9.094 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -15.364 2.633 10.921 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -13.993 2.259 9.895 1.00 1.00 H new ATOM 0 HE ARG A 75 -15.163 4.753 9.039 1.00 1.00 H new ATOM 0 HH11 ARG A 75 -13.329 3.218 11.612 1.00 1.00 H new ATOM 0 HH12 ARG A 75 -12.492 4.702 12.077 1.00 1.00 H new ATOM 0 HH21 ARG A 75 -14.076 6.654 9.647 1.00 1.00 H new ATOM 0 HH22 ARG A 75 -12.911 6.628 10.975 1.00 1.00 H new TER 1219 ARG A 75 ATOM 1220 N ILE B 168 16.896 2.100 -6.714 1.00 1.00 N ATOM 1221 CA ILE B 168 15.552 1.893 -6.165 1.00 1.00 C ATOM 1222 C ILE B 168 14.519 1.944 -7.257 1.00 1.00 C ATOM 1223 O ILE B 168 14.552 2.806 -8.137 1.00 1.00 O ATOM 1224 CB ILE B 168 15.233 2.950 -5.118 1.00 1.00 C ATOM 1225 CG1 ILE B 168 16.170 2.783 -3.938 1.00 1.00 C ATOM 1226 CG2 ILE B 168 13.789 2.837 -4.634 1.00 1.00 C ATOM 1227 CD1 ILE B 168 16.005 1.415 -3.246 1.00 1.00 C ATOM 0 HA ILE B 168 15.529 0.908 -5.698 1.00 1.00 H new ATOM 0 HB ILE B 168 15.365 3.932 -5.573 1.00 1.00 H new ATOM 0 HG12 ILE B 168 17.200 2.894 -4.277 1.00 1.00 H new ATOM 0 HG13 ILE B 168 15.985 3.578 -3.215 1.00 1.00 H new ATOM 0 HG21 ILE B 168 13.594 3.606 -3.887 1.00 1.00 H new ATOM 0 HG22 ILE B 168 13.111 2.970 -5.477 1.00 1.00 H new ATOM 0 HG23 ILE B 168 13.629 1.854 -4.192 1.00 1.00 H new ATOM 0 HD11 ILE B 168 16.698 1.345 -2.408 1.00 1.00 H new ATOM 0 HD12 ILE B 168 14.983 1.313 -2.881 1.00 1.00 H new ATOM 0 HD13 ILE B 168 16.217 0.619 -3.959 1.00 1.00 H new ATOM 1239 N GLU B 169 13.590 1.012 -7.183 1.00 1.00 N ATOM 1240 CA GLU B 169 12.511 0.934 -8.165 1.00 1.00 C ATOM 1241 C GLU B 169 11.169 0.758 -7.482 1.00 1.00 C ATOM 1242 O GLU B 169 10.944 -0.232 -6.786 1.00 1.00 O ATOM 1243 CB GLU B 169 12.743 -0.231 -9.128 1.00 1.00 C ATOM 1244 CG GLU B 169 14.000 0.035 -9.953 1.00 1.00 C ATOM 1245 CD GLU B 169 13.781 1.231 -10.870 1.00 1.00 C ATOM 1246 OE1 GLU B 169 12.632 1.547 -11.140 1.00 1.00 O ATOM 1247 OE2 GLU B 169 14.764 1.815 -11.290 1.00 1.00 O ATOM 0 H GLU B 169 13.555 0.296 -6.457 1.00 1.00 H new ATOM 0 HA GLU B 169 12.505 1.870 -8.724 1.00 1.00 H new ATOM 0 HB2 GLU B 169 12.851 -1.162 -8.571 1.00 1.00 H new ATOM 0 HB3 GLU B 169 11.882 -0.351 -9.785 1.00 1.00 H new ATOM 0 HG2 GLU B 169 14.845 0.224 -9.291 1.00 1.00 H new ATOM 0 HG3 GLU B 169 14.249 -0.846 -10.545 1.00 1.00 H new ATOM 1254 N LEU B 170 10.275 1.729 -7.679 1.00 1.00 N ATOM 1255 CA LEU B 170 8.950 1.670 -7.064 1.00 1.00 C ATOM 1256 C LEU B 170 7.846 1.918 -8.101 1.00 1.00 C ATOM 1257 O LEU B 170 8.090 2.538 -9.139 1.00 1.00 O ATOM 1258 CB LEU B 170 8.832 2.716 -5.954 1.00 1.00 C ATOM 1259 CG LEU B 170 10.042 2.610 -5.012 1.00 1.00 C ATOM 1260 CD1 LEU B 170 10.130 3.851 -4.129 1.00 1.00 C ATOM 1261 CD2 LEU B 170 9.910 1.371 -4.116 1.00 1.00 C ATOM 0 H LEU B 170 10.442 2.556 -8.253 1.00 1.00 H new ATOM 0 HA LEU B 170 8.826 0.671 -6.646 1.00 1.00 H new ATOM 0 HB2 LEU B 170 8.782 3.715 -6.386 1.00 1.00 H new ATOM 0 HB3 LEU B 170 7.909 2.564 -5.395 1.00 1.00 H new ATOM 0 HG LEU B 170 10.943 2.527 -5.620 1.00 1.00 H new ATOM 0 HD11 LEU B 170 10.991 3.765 -3.466 1.00 1.00 H new ATOM 0 HD12 LEU B 170 10.241 4.736 -4.755 1.00 1.00 H new ATOM 0 HD13 LEU B 170 9.221 3.940 -3.534 1.00 1.00 H new ATOM 0 HD21 LEU B 170 10.773 1.307 -3.454 1.00 1.00 H new ATOM 0 HD22 LEU B 170 9.000 1.448 -3.520 1.00 1.00 H new ATOM 0 HD23 LEU B 170 9.862 0.476 -4.737 1.00 1.00 H new ATOM 1273 N PRO B 171 6.639 1.468 -7.832 1.00 1.00 N ATOM 1274 CA PRO B 171 5.484 1.676 -8.760 1.00 1.00 C ATOM 1275 C PRO B 171 4.692 2.928 -8.396 1.00 1.00 C ATOM 1276 O PRO B 171 5.165 3.771 -7.639 1.00 1.00 O ATOM 1277 CB PRO B 171 4.630 0.410 -8.584 1.00 1.00 C ATOM 1278 CG PRO B 171 4.980 -0.104 -7.232 1.00 1.00 C ATOM 1279 CD PRO B 171 6.434 0.270 -6.997 1.00 1.00 C ATOM 0 HA PRO B 171 5.805 1.826 -9.791 1.00 1.00 H new ATOM 0 HB2 PRO B 171 3.567 0.638 -8.657 1.00 1.00 H new ATOM 0 HB3 PRO B 171 4.852 -0.327 -9.356 1.00 1.00 H new ATOM 0 HG2 PRO B 171 4.337 0.337 -6.470 1.00 1.00 H new ATOM 0 HG3 PRO B 171 4.843 -1.184 -7.179 1.00 1.00 H new ATOM 0 HD2 PRO B 171 6.626 0.480 -5.945 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.105 -0.538 -7.288 1.00 1.00 H new ATOM 1287 N GLU B 172 3.481 3.035 -8.938 1.00 1.00 N ATOM 1288 CA GLU B 172 2.615 4.182 -8.665 1.00 1.00 C ATOM 1289 C GLU B 172 1.198 3.716 -8.373 1.00 1.00 C ATOM 1290 O GLU B 172 0.690 2.794 -9.012 1.00 1.00 O ATOM 1291 CB GLU B 172 2.613 5.130 -9.862 1.00 1.00 C ATOM 1292 CG GLU B 172 2.070 4.406 -11.090 1.00 1.00 C ATOM 1293 CD GLU B 172 2.137 5.328 -12.300 1.00 1.00 C ATOM 1294 OE1 GLU B 172 1.920 6.515 -12.130 1.00 1.00 O ATOM 1295 OE2 GLU B 172 2.403 4.832 -13.390 1.00 1.00 O ATOM 0 H GLU B 172 3.076 2.343 -9.568 1.00 1.00 H new ATOM 0 HA GLU B 172 2.998 4.709 -7.791 1.00 1.00 H new ATOM 0 HB2 GLU B 172 2.001 6.005 -9.644 1.00 1.00 H new ATOM 0 HB3 GLU B 172 3.624 5.488 -10.056 1.00 1.00 H new ATOM 0 HG2 GLU B 172 2.649 3.502 -11.277 1.00 1.00 H new ATOM 0 HG3 GLU B 172 1.040 4.094 -10.915 1.00 1.00 H new ATOM 1302 N VAL B 173 0.566 4.353 -7.399 1.00 1.00 N ATOM 1303 CA VAL B 173 -0.787 3.982 -7.027 1.00 1.00 C ATOM 1304 C VAL B 173 -1.781 4.353 -8.146 1.00 1.00 C ATOM 1305 O VAL B 173 -1.770 5.482 -8.635 1.00 1.00 O ATOM 1306 CB VAL B 173 -1.192 4.676 -5.705 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -0.878 3.768 -4.504 1.00 1.00 C ATOM 1308 CG2 VAL B 173 -0.406 5.978 -5.557 1.00 1.00 C ATOM 0 H VAL B 173 0.964 5.121 -6.858 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.816 2.902 -6.881 1.00 1.00 H new ATOM 0 HB VAL B 173 -2.262 4.880 -5.730 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -1.169 4.271 -3.582 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -1.433 2.835 -4.599 1.00 1.00 H new ATOM 0 HG13 VAL B 173 0.191 3.554 -4.479 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -0.689 6.470 -4.626 1.00 1.00 H new ATOM 0 HG22 VAL B 173 0.662 5.759 -5.542 1.00 1.00 H new ATOM 0 HG23 VAL B 173 -0.629 6.635 -6.397 1.00 1.00 H new ATOM 1318 N PRO B 174 -2.641 3.438 -8.540 1.00 1.00 N ATOM 1319 CA PRO B 174 -3.653 3.707 -9.605 1.00 1.00 C ATOM 1320 C PRO B 174 -4.808 4.566 -9.087 1.00 1.00 C ATOM 1321 O PRO B 174 -5.783 4.047 -8.547 1.00 1.00 O ATOM 1322 CB PRO B 174 -4.126 2.306 -10.000 1.00 1.00 C ATOM 1323 CG PRO B 174 -3.947 1.471 -8.782 1.00 1.00 C ATOM 1324 CD PRO B 174 -2.746 2.050 -8.048 1.00 1.00 C ATOM 0 HA PRO B 174 -3.245 4.271 -10.443 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -5.168 2.318 -10.318 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -3.543 1.915 -10.834 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -4.838 1.500 -8.155 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -3.777 0.427 -9.046 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -2.891 2.022 -6.968 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -1.840 1.484 -8.263 1.00 1.00 H new ATOM 1332 N SER B 175 -4.692 5.882 -9.254 1.00 1.00 N ATOM 1333 CA SER B 175 -5.740 6.783 -8.793 1.00 1.00 C ATOM 1334 C SER B 175 -6.922 6.732 -9.744 1.00 1.00 C ATOM 1335 O SER B 175 -7.051 7.569 -10.630 1.00 1.00 O ATOM 1336 CB SER B 175 -5.203 8.212 -8.734 1.00 1.00 C ATOM 1337 OG SER B 175 -4.914 8.659 -10.050 1.00 1.00 O ATOM 0 H SER B 175 -3.896 6.340 -9.698 1.00 1.00 H new ATOM 0 HA SER B 175 -6.061 6.472 -7.799 1.00 1.00 H new ATOM 0 HB2 SER B 175 -5.936 8.869 -8.267 1.00 1.00 H new ATOM 0 HB3 SER B 175 -4.304 8.250 -8.119 1.00 1.00 H new ATOM 0 HG SER B 175 -5.741 8.687 -10.575 1.00 1.00 H new ATOM 1343 N GLU B 176 -7.792 5.746 -9.546 1.00 1.00 N ATOM 1344 CA GLU B 176 -8.969 5.599 -10.390 1.00 1.00 C ATOM 1345 C GLU B 176 -10.150 6.415 -9.843 1.00 1.00 C ATOM 1346 O GLU B 176 -10.080 6.936 -8.731 1.00 1.00 O ATOM 1347 CB GLU B 176 -9.359 4.116 -10.500 1.00 1.00 C ATOM 1348 CG GLU B 176 -8.555 3.455 -11.620 1.00 1.00 C ATOM 1349 CD GLU B 176 -8.699 1.943 -11.540 1.00 1.00 C ATOM 1350 OE1 GLU B 176 -8.192 1.374 -10.590 1.00 1.00 O ATOM 1351 OE2 GLU B 176 -9.314 1.377 -12.430 1.00 1.00 O ATOM 0 H GLU B 176 -7.704 5.042 -8.813 1.00 1.00 H new ATOM 0 HA GLU B 176 -8.724 5.980 -11.381 1.00 1.00 H new ATOM 0 HB2 GLU B 176 -9.169 3.609 -9.554 1.00 1.00 H new ATOM 0 HB3 GLU B 176 -10.426 4.024 -10.702 1.00 1.00 H new ATOM 0 HG2 GLU B 176 -8.905 3.811 -12.589 1.00 1.00 H new ATOM 0 HG3 GLU B 176 -7.504 3.734 -11.538 1.00 1.00 H new ATOM 1358 N PRO B 177 -11.230 6.496 -10.580 1.00 1.00 N ATOM 1359 CA PRO B 177 -12.460 7.229 -10.120 1.00 1.00 C ATOM 1360 C PRO B 177 -13.200 6.462 -9.029 1.00 1.00 C ATOM 1361 O PRO B 177 -14.420 6.294 -9.090 1.00 1.00 O ATOM 1362 CB PRO B 177 -13.320 7.317 -11.390 1.00 1.00 C ATOM 1363 CG PRO B 177 -12.360 7.295 -12.520 1.00 1.00 C ATOM 1364 CD PRO B 177 -11.140 6.487 -12.060 1.00 1.00 C ATOM 0 HA PRO B 177 -12.224 8.200 -9.686 1.00 1.00 H new ATOM 0 HB2 PRO B 177 -14.017 6.481 -11.451 1.00 1.00 H new ATOM 0 HB3 PRO B 177 -13.915 8.230 -11.398 1.00 1.00 H new ATOM 0 HG2 PRO B 177 -12.813 6.841 -13.401 1.00 1.00 H new ATOM 0 HG3 PRO B 177 -12.069 8.308 -12.798 1.00 1.00 H new ATOM 0 HD2 PRO B 177 -11.165 5.471 -12.454 1.00 1.00 H new ATOM 0 HD3 PRO B 177 -10.210 6.940 -12.405 1.00 1.00 H new ATOM 1372 N LEU B 178 -12.450 5.985 -8.047 1.00 1.00 N ATOM 1373 CA LEU B 178 -13.030 5.215 -6.947 1.00 1.00 C ATOM 1374 C LEU B 178 -13.520 6.159 -5.844 1.00 1.00 C ATOM 1375 O LEU B 178 -12.950 7.229 -5.633 1.00 1.00 O ATOM 1376 CB LEU B 178 -11.990 4.208 -6.384 1.00 1.00 C ATOM 1377 CG LEU B 178 -10.570 4.624 -6.791 1.00 1.00 C ATOM 1378 CD1 LEU B 178 -10.210 5.934 -6.089 1.00 1.00 C ATOM 1379 CD2 LEU B 178 -9.589 3.536 -6.372 1.00 1.00 C ATOM 0 H LEU B 178 -11.440 6.115 -7.985 1.00 1.00 H new ATOM 0 HA LEU B 178 -13.883 4.650 -7.324 1.00 1.00 H new ATOM 0 HB2 LEU B 178 -12.066 4.166 -5.298 1.00 1.00 H new ATOM 0 HB3 LEU B 178 -12.204 3.207 -6.758 1.00 1.00 H new ATOM 0 HG LEU B 178 -10.520 4.763 -7.871 1.00 1.00 H new ATOM 0 HD11 LEU B 178 -9.202 6.235 -6.374 1.00 1.00 H new ATOM 0 HD12 LEU B 178 -10.917 6.710 -6.382 1.00 1.00 H new ATOM 0 HD13 LEU B 178 -10.254 5.792 -5.009 1.00 1.00 H new ATOM 0 HD21 LEU B 178 -8.579 3.827 -6.659 1.00 1.00 H new ATOM 0 HD22 LEU B 178 -9.635 3.401 -5.291 1.00 1.00 H new ATOM 0 HD23 LEU B 178 -9.851 2.600 -6.865 1.00 1.00 H new ATOM 1391 N PRO B 179 -14.550 5.777 -5.144 1.00 1.00 N ATOM 1392 CA PRO B 179 -15.120 6.616 -4.047 1.00 1.00 C ATOM 1393 C PRO B 179 -14.080 6.932 -2.978 1.00 1.00 C ATOM 1394 O PRO B 179 -13.230 6.097 -2.653 1.00 1.00 O ATOM 1395 CB PRO B 179 -16.260 5.747 -3.474 1.00 1.00 C ATOM 1396 CG PRO B 179 -15.870 4.342 -3.813 1.00 1.00 C ATOM 1397 CD PRO B 179 -15.110 4.413 -5.132 1.00 1.00 C ATOM 0 HA PRO B 179 -15.464 7.586 -4.405 1.00 1.00 H new ATOM 0 HB2 PRO B 179 -16.359 5.882 -2.397 1.00 1.00 H new ATOM 0 HB3 PRO B 179 -17.220 6.010 -3.918 1.00 1.00 H new ATOM 0 HG2 PRO B 179 -15.247 3.912 -3.029 1.00 1.00 H new ATOM 0 HG3 PRO B 179 -16.750 3.706 -3.906 1.00 1.00 H new ATOM 0 HD2 PRO B 179 -14.325 3.658 -5.182 1.00 1.00 H new ATOM 0 HD3 PRO B 179 -15.770 4.244 -5.983 1.00 1.00 H new TER 1405 PRO B 179