USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 409 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: X 8 ASN :FLIP amide:sc= 0.735 F(o=-0.67,f=1.8) USER MOD Set 1.2: X 55 THR OG1 : rot 81:sc= 1.08 USER MOD Set 2.1: X 3 TYR OH : rot 180:sc= 0.751 USER MOD Set 2.2: X 50 LYS NZ :NH3+ -122:sc= 1.78 (180deg=0.204) USER MOD Single : X 2 GLN :FLIP amide:sc= 0.0753 F(o=-1,f=0.075) USER MOD Single : X 4 LYS NZ :NH3+ -168:sc= -0.49 (180deg=-0.646) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0 USER MOD Single : X 13 LYS NZ :NH3+ -172:sc= -16.8! (180deg=-17.3!) USER MOD Single : X 16 THR OG1 : rot -130:sc= -1.41 USER MOD Single : X 17 THR OG1 : rot 170:sc= -0.801 USER MOD Single : X 18 THR OG1 : rot 180:sc= 0 USER MOD Single : X 25 THR OG1 : rot 180:sc= 0 USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 31 LYS NZ :NH3+ 177:sc= 0.0857 (180deg=0.0841) USER MOD Single : X 32 GLN : amide:sc=-0.00621 X(o=-0.0062,f=0.37) USER MOD Single : X 33 TYR OH : rot 180:sc= 0 USER MOD Single : X 35 ASN : amide:sc= -0.826! X(o=-0.83!,f=-0.41) USER MOD Single : X 37 ASN : amide:sc= -14.7! C(o=-15!,f=-24!) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.0421 USER MOD Single : X 45 TYR OH : rot 55:sc= 0.719 USER MOD Single : X 49 THR OG1 : rot -93:sc= 0.717 USER MOD Single : X 51 THR OG1 : rot 72:sc= 1.22 USER MOD Single : X 53 THR OG1 : rot 180:sc= -2.86! USER MOD ----------------------------------------------------------------- ATOM 20 N GLN X 2 25.632 -8.823 -5.320 1.00 0.00 N ATOM 21 CA GLN X 2 24.861 -8.183 -6.391 1.00 0.00 C ATOM 22 C GLN X 2 25.705 -7.973 -7.644 1.00 0.00 C ATOM 23 O GLN X 2 26.914 -7.757 -7.571 1.00 0.00 O ATOM 24 CB GLN X 2 24.345 -6.824 -5.909 1.00 0.00 C ATOM 25 CG GLN X 2 23.270 -7.028 -4.839 1.00 0.00 C ATOM 26 CD GLN X 2 22.821 -5.672 -4.283 1.00 0.00 C ATOM 27 OE1 GLN X 2 23.643 -4.649 -4.303 1.00 0.00 O flip ATOM 28 NE2 GLN X 2 21.689 -5.540 -3.817 1.00 0.00 N flip ATOM 0 HA GLN X 2 24.030 -8.842 -6.641 1.00 0.00 H new ATOM 0 HB2 GLN X 2 25.168 -6.235 -5.503 1.00 0.00 H new ATOM 0 HB3 GLN X 2 23.934 -6.262 -6.748 1.00 0.00 H new ATOM 0 HG2 GLN X 2 22.417 -7.556 -5.265 1.00 0.00 H new ATOM 0 HG3 GLN X 2 23.660 -7.650 -4.033 1.00 0.00 H new ATOM 0 HE21 GLN X 2 21.049 -6.334 -3.800 1.00 0.00 H new ATOM 0 HE22 GLN X 2 21.392 -4.637 -3.448 1.00 0.00 H new ATOM 37 N TYR X 3 25.035 -8.017 -8.796 1.00 0.00 N ATOM 38 CA TYR X 3 25.681 -7.814 -10.087 1.00 0.00 C ATOM 39 C TYR X 3 24.989 -6.668 -10.805 1.00 0.00 C ATOM 40 O TYR X 3 23.777 -6.506 -10.681 1.00 0.00 O ATOM 41 CB TYR X 3 25.568 -9.079 -10.930 1.00 0.00 C ATOM 42 CG TYR X 3 26.443 -10.156 -10.339 1.00 0.00 C ATOM 43 CD1 TYR X 3 27.836 -10.020 -10.377 1.00 0.00 C ATOM 44 CD2 TYR X 3 25.867 -11.299 -9.766 1.00 0.00 C ATOM 45 CE1 TYR X 3 28.651 -11.021 -9.842 1.00 0.00 C ATOM 46 CE2 TYR X 3 26.685 -12.302 -9.234 1.00 0.00 C ATOM 47 CZ TYR X 3 28.078 -12.164 -9.273 1.00 0.00 C ATOM 48 OH TYR X 3 28.885 -13.153 -8.753 1.00 0.00 O ATOM 0 H TYR X 3 24.032 -8.194 -8.857 1.00 0.00 H new ATOM 0 HA TYR X 3 26.735 -7.581 -9.935 1.00 0.00 H new ATOM 0 HB2 TYR X 3 24.532 -9.415 -10.964 1.00 0.00 H new ATOM 0 HB3 TYR X 3 25.870 -8.873 -11.957 1.00 0.00 H new ATOM 0 HD1 TYR X 3 28.281 -9.141 -10.820 1.00 0.00 H new ATOM 0 HD2 TYR X 3 24.793 -11.405 -9.735 1.00 0.00 H new ATOM 0 HE1 TYR X 3 29.725 -10.912 -9.868 1.00 0.00 H new ATOM 0 HE2 TYR X 3 26.242 -13.183 -8.793 1.00 0.00 H new ATOM 0 HH TYR X 3 28.328 -13.876 -8.396 1.00 0.00 H new ATOM 58 N LYS X 4 25.755 -5.864 -11.542 1.00 0.00 N ATOM 59 CA LYS X 4 25.182 -4.715 -12.260 1.00 0.00 C ATOM 60 C LYS X 4 25.403 -4.841 -13.764 1.00 0.00 C ATOM 61 O LYS X 4 26.523 -5.061 -14.225 1.00 0.00 O ATOM 62 CB LYS X 4 25.827 -3.410 -11.749 1.00 0.00 C ATOM 63 CG LYS X 4 24.948 -2.165 -12.097 1.00 0.00 C ATOM 64 CD LYS X 4 24.628 -1.361 -10.820 1.00 0.00 C ATOM 65 CE LYS X 4 23.591 -0.278 -11.127 1.00 0.00 C ATOM 66 NZ LYS X 4 24.240 0.831 -11.878 1.00 0.00 N ATOM 0 H LYS X 4 26.761 -5.980 -11.660 1.00 0.00 H new ATOM 0 HA LYS X 4 24.109 -4.695 -12.072 1.00 0.00 H new ATOM 0 HB2 LYS X 4 25.965 -3.469 -10.669 1.00 0.00 H new ATOM 0 HB3 LYS X 4 26.816 -3.294 -12.191 1.00 0.00 H new ATOM 0 HG2 LYS X 4 25.471 -1.531 -12.813 1.00 0.00 H new ATOM 0 HG3 LYS X 4 24.022 -2.487 -12.574 1.00 0.00 H new ATOM 0 HD2 LYS X 4 24.250 -2.029 -10.046 1.00 0.00 H new ATOM 0 HD3 LYS X 4 25.538 -0.904 -10.431 1.00 0.00 H new ATOM 0 HE2 LYS X 4 22.773 -0.698 -11.712 1.00 0.00 H new ATOM 0 HE3 LYS X 4 23.159 0.100 -10.200 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 23.600 1.650 -11.910 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 25.124 1.102 -11.402 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 24.450 0.518 -12.847 1.00 0.00 H new ATOM 80 N LEU X 5 24.317 -4.694 -14.521 1.00 0.00 N ATOM 81 CA LEU X 5 24.367 -4.781 -15.986 1.00 0.00 C ATOM 82 C LEU X 5 24.155 -3.389 -16.582 1.00 0.00 C ATOM 83 O LEU X 5 23.201 -2.695 -16.230 1.00 0.00 O ATOM 84 CB LEU X 5 23.284 -5.775 -16.453 1.00 0.00 C ATOM 85 CG LEU X 5 23.013 -5.711 -17.978 1.00 0.00 C ATOM 86 CD1 LEU X 5 22.195 -4.455 -18.359 1.00 0.00 C ATOM 87 CD2 LEU X 5 24.334 -5.748 -18.771 1.00 0.00 C ATOM 0 H LEU X 5 23.386 -4.513 -14.145 1.00 0.00 H new ATOM 0 HA LEU X 5 25.338 -5.142 -16.325 1.00 0.00 H new ATOM 0 HB2 LEU X 5 23.590 -6.787 -16.187 1.00 0.00 H new ATOM 0 HB3 LEU X 5 22.357 -5.571 -15.917 1.00 0.00 H new ATOM 0 HG LEU X 5 22.422 -6.589 -18.240 1.00 0.00 H new ATOM 0 HD11 LEU X 5 22.025 -4.444 -19.436 1.00 0.00 H new ATOM 0 HD12 LEU X 5 21.237 -4.474 -17.840 1.00 0.00 H new ATOM 0 HD13 LEU X 5 22.746 -3.560 -18.070 1.00 0.00 H new ATOM 0 HD21 LEU X 5 24.119 -5.702 -19.839 1.00 0.00 H new ATOM 0 HD22 LEU X 5 24.952 -4.896 -18.488 1.00 0.00 H new ATOM 0 HD23 LEU X 5 24.867 -6.672 -18.548 1.00 0.00 H new ATOM 99 N ILE X 6 25.060 -2.977 -17.473 1.00 0.00 N ATOM 100 CA ILE X 6 24.969 -1.653 -18.100 1.00 0.00 C ATOM 101 C ILE X 6 24.345 -1.769 -19.476 1.00 0.00 C ATOM 102 O ILE X 6 24.715 -2.634 -20.270 1.00 0.00 O ATOM 103 CB ILE X 6 26.360 -1.035 -18.247 1.00 0.00 C ATOM 104 CG1 ILE X 6 27.112 -1.112 -16.913 1.00 0.00 C ATOM 105 CG2 ILE X 6 26.223 0.424 -18.682 1.00 0.00 C ATOM 106 CD1 ILE X 6 26.262 -0.517 -15.785 1.00 0.00 C ATOM 0 H ILE X 6 25.859 -3.535 -17.776 1.00 0.00 H new ATOM 0 HA ILE X 6 24.351 -1.019 -17.463 1.00 0.00 H new ATOM 0 HB ILE X 6 26.922 -1.587 -19.000 1.00 0.00 H new ATOM 0 HG12 ILE X 6 27.355 -2.150 -16.685 1.00 0.00 H new ATOM 0 HG13 ILE X 6 28.056 -0.572 -16.989 1.00 0.00 H new ATOM 0 HG21 ILE X 6 27.213 0.867 -18.787 1.00 0.00 H new ATOM 0 HG22 ILE X 6 25.701 0.471 -19.638 1.00 0.00 H new ATOM 0 HG23 ILE X 6 25.657 0.976 -17.932 1.00 0.00 H new ATOM 0 HD11 ILE X 6 26.810 -0.579 -14.845 1.00 0.00 H new ATOM 0 HD12 ILE X 6 26.041 0.527 -16.008 1.00 0.00 H new ATOM 0 HD13 ILE X 6 25.330 -1.075 -15.699 1.00 0.00 H new ATOM 118 N LEU X 7 23.381 -0.900 -19.746 1.00 0.00 N ATOM 119 CA LEU X 7 22.684 -0.916 -21.027 1.00 0.00 C ATOM 120 C LEU X 7 23.367 0.023 -22.014 1.00 0.00 C ATOM 121 O LEU X 7 23.281 1.245 -21.896 1.00 0.00 O ATOM 122 CB LEU X 7 21.217 -0.475 -20.841 1.00 0.00 C ATOM 123 CG LEU X 7 20.336 -1.649 -20.372 1.00 0.00 C ATOM 124 CD1 LEU X 7 20.475 -1.849 -18.858 1.00 0.00 C ATOM 125 CD2 LEU X 7 18.872 -1.336 -20.701 1.00 0.00 C ATOM 0 H LEU X 7 23.064 -0.178 -19.099 1.00 0.00 H new ATOM 0 HA LEU X 7 22.711 -1.933 -21.418 1.00 0.00 H new ATOM 0 HB2 LEU X 7 21.168 0.334 -20.112 1.00 0.00 H new ATOM 0 HB3 LEU X 7 20.831 -0.081 -21.781 1.00 0.00 H new ATOM 0 HG LEU X 7 20.655 -2.558 -20.882 1.00 0.00 H new ATOM 0 HD11 LEU X 7 19.847 -2.682 -18.542 1.00 0.00 H new ATOM 0 HD12 LEU X 7 21.515 -2.066 -18.614 1.00 0.00 H new ATOM 0 HD13 LEU X 7 20.162 -0.942 -18.341 1.00 0.00 H new ATOM 0 HD21 LEU X 7 18.241 -2.162 -20.373 1.00 0.00 H new ATOM 0 HD22 LEU X 7 18.571 -0.423 -20.188 1.00 0.00 H new ATOM 0 HD23 LEU X 7 18.762 -1.201 -21.777 1.00 0.00 H new ATOM 137 N ASN X 8 24.025 -0.570 -23.002 1.00 0.00 N ATOM 138 CA ASN X 8 24.705 0.185 -24.042 1.00 0.00 C ATOM 139 C ASN X 8 24.300 -0.387 -25.391 1.00 0.00 C ATOM 140 O ASN X 8 24.961 -1.280 -25.918 1.00 0.00 O ATOM 141 CB ASN X 8 26.218 0.069 -23.847 1.00 0.00 C ATOM 142 CG ASN X 8 26.961 0.570 -25.083 1.00 0.00 C ATOM 143 OD1 ASN X 8 27.762 -0.240 -25.723 1.00 0.00 O flip ATOM 144 ND2 ASN X 8 26.807 1.727 -25.475 1.00 0.00 N flip ATOM 0 H ASN X 8 24.101 -1.582 -23.103 1.00 0.00 H new ATOM 0 HA ASN X 8 24.429 1.238 -23.994 1.00 0.00 H new ATOM 0 HB2 ASN X 8 26.523 0.647 -22.974 1.00 0.00 H new ATOM 0 HB3 ASN X 8 26.486 -0.969 -23.651 1.00 0.00 H new ATOM 0 HD21 ASN X 8 26.181 2.357 -24.973 1.00 0.00 H new ATOM 0 HD22 ASN X 8 27.306 2.056 -26.302 1.00 0.00 H new ATOM 151 N GLY X 9 23.197 0.119 -25.943 1.00 0.00 N ATOM 152 CA GLY X 9 22.695 -0.363 -27.231 1.00 0.00 C ATOM 153 C GLY X 9 22.572 0.766 -28.238 1.00 0.00 C ATOM 154 O GLY X 9 23.361 1.711 -28.229 1.00 0.00 O ATOM 0 H GLY X 9 22.636 0.859 -25.521 1.00 0.00 H new ATOM 0 HA2 GLY X 9 23.366 -1.128 -27.621 1.00 0.00 H new ATOM 0 HA3 GLY X 9 21.722 -0.834 -27.090 1.00 0.00 H new ATOM 158 N LYS X 10 21.582 0.652 -29.115 1.00 0.00 N ATOM 159 CA LYS X 10 21.366 1.664 -30.140 1.00 0.00 C ATOM 160 C LYS X 10 20.672 2.907 -29.564 1.00 0.00 C ATOM 161 O LYS X 10 21.146 4.025 -29.763 1.00 0.00 O ATOM 162 CB LYS X 10 20.545 1.071 -31.297 1.00 0.00 C ATOM 163 CG LYS X 10 21.045 -0.342 -31.607 1.00 0.00 C ATOM 164 CD LYS X 10 20.499 -0.796 -32.962 1.00 0.00 C ATOM 165 CE LYS X 10 20.688 -2.306 -33.111 1.00 0.00 C ATOM 166 NZ LYS X 10 20.488 -2.693 -34.536 1.00 0.00 N ATOM 0 H LYS X 10 20.921 -0.125 -29.137 1.00 0.00 H new ATOM 0 HA LYS X 10 22.338 1.979 -30.519 1.00 0.00 H new ATOM 0 HB2 LYS X 10 19.488 1.044 -31.031 1.00 0.00 H new ATOM 0 HB3 LYS X 10 20.635 1.702 -32.181 1.00 0.00 H new ATOM 0 HG2 LYS X 10 22.135 -0.358 -31.619 1.00 0.00 H new ATOM 0 HG3 LYS X 10 20.725 -1.031 -30.826 1.00 0.00 H new ATOM 0 HD2 LYS X 10 19.442 -0.542 -33.043 1.00 0.00 H new ATOM 0 HD3 LYS X 10 21.015 -0.273 -33.767 1.00 0.00 H new ATOM 0 HE2 LYS X 10 21.687 -2.593 -32.782 1.00 0.00 H new ATOM 0 HE3 LYS X 10 19.979 -2.837 -32.476 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 20.616 -3.720 -34.638 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 19.526 -2.433 -34.835 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 21.181 -2.197 -35.131 1.00 0.00 H new ATOM 180 N THR X 11 19.541 2.722 -28.858 1.00 0.00 N ATOM 181 CA THR X 11 18.807 3.859 -28.283 1.00 0.00 C ATOM 182 C THR X 11 18.470 3.642 -26.803 1.00 0.00 C ATOM 183 O THR X 11 18.168 4.598 -26.088 1.00 0.00 O ATOM 184 CB THR X 11 17.513 4.088 -29.075 1.00 0.00 C ATOM 185 OG1 THR X 11 16.765 2.879 -29.118 1.00 0.00 O ATOM 186 CG2 THR X 11 17.854 4.530 -30.500 1.00 0.00 C ATOM 0 H THR X 11 19.123 1.810 -28.675 1.00 0.00 H new ATOM 0 HA THR X 11 19.452 4.735 -28.349 1.00 0.00 H new ATOM 0 HB THR X 11 16.923 4.864 -28.589 1.00 0.00 H new ATOM 0 HG1 THR X 11 15.937 3.024 -29.622 1.00 0.00 H new ATOM 0 HG21 THR X 11 16.933 4.692 -31.061 1.00 0.00 H new ATOM 0 HG22 THR X 11 18.426 5.457 -30.466 1.00 0.00 H new ATOM 0 HG23 THR X 11 18.445 3.756 -30.989 1.00 0.00 H new ATOM 194 N LEU X 12 18.497 2.386 -26.345 1.00 0.00 N ATOM 195 CA LEU X 12 18.165 2.080 -24.956 1.00 0.00 C ATOM 196 C LEU X 12 19.417 2.093 -24.072 1.00 0.00 C ATOM 197 O LEU X 12 20.337 1.300 -24.272 1.00 0.00 O ATOM 198 CB LEU X 12 17.482 0.698 -24.898 1.00 0.00 C ATOM 199 CG LEU X 12 16.420 0.669 -23.793 1.00 0.00 C ATOM 200 CD1 LEU X 12 15.866 -0.760 -23.638 1.00 0.00 C ATOM 201 CD2 LEU X 12 17.042 1.134 -22.466 1.00 0.00 C ATOM 0 H LEU X 12 18.743 1.575 -26.912 1.00 0.00 H new ATOM 0 HA LEU X 12 17.487 2.844 -24.576 1.00 0.00 H new ATOM 0 HB2 LEU X 12 17.021 0.473 -25.860 1.00 0.00 H new ATOM 0 HB3 LEU X 12 18.228 -0.075 -24.714 1.00 0.00 H new ATOM 0 HG LEU X 12 15.604 1.340 -24.062 1.00 0.00 H new ATOM 0 HD11 LEU X 12 15.112 -0.774 -22.851 1.00 0.00 H new ATOM 0 HD12 LEU X 12 15.416 -1.080 -24.578 1.00 0.00 H new ATOM 0 HD13 LEU X 12 16.678 -1.438 -23.375 1.00 0.00 H new ATOM 0 HD21 LEU X 12 16.285 1.113 -21.682 1.00 0.00 H new ATOM 0 HD22 LEU X 12 17.863 0.469 -22.196 1.00 0.00 H new ATOM 0 HD23 LEU X 12 17.420 2.150 -22.578 1.00 0.00 H new ATOM 213 N LYS X 13 19.439 2.989 -23.081 1.00 0.00 N ATOM 214 CA LYS X 13 20.581 3.091 -22.164 1.00 0.00 C ATOM 215 C LYS X 13 20.097 3.314 -20.732 1.00 0.00 C ATOM 216 O LYS X 13 19.147 4.059 -20.493 1.00 0.00 O ATOM 217 CB LYS X 13 21.507 4.255 -22.582 1.00 0.00 C ATOM 218 CG LYS X 13 22.352 3.879 -23.833 1.00 0.00 C ATOM 219 CD LYS X 13 21.674 4.395 -25.123 1.00 0.00 C ATOM 220 CE LYS X 13 22.057 3.506 -26.310 1.00 0.00 C ATOM 221 NZ LYS X 13 21.246 2.256 -26.268 1.00 0.00 N ATOM 0 H LYS X 13 18.686 3.650 -22.893 1.00 0.00 H new ATOM 0 HA LYS X 13 21.139 2.156 -22.211 1.00 0.00 H new ATOM 0 HB2 LYS X 13 20.909 5.140 -22.797 1.00 0.00 H new ATOM 0 HB3 LYS X 13 22.170 4.511 -21.755 1.00 0.00 H new ATOM 0 HG2 LYS X 13 23.351 4.306 -23.745 1.00 0.00 H new ATOM 0 HG3 LYS X 13 22.471 2.797 -23.886 1.00 0.00 H new ATOM 0 HD2 LYS X 13 20.591 4.400 -24.997 1.00 0.00 H new ATOM 0 HD3 LYS X 13 21.978 5.424 -25.316 1.00 0.00 H new ATOM 0 HE2 LYS X 13 21.883 4.035 -27.247 1.00 0.00 H new ATOM 0 HE3 LYS X 13 23.120 3.266 -26.272 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 21.594 1.592 -26.988 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 21.328 1.821 -25.327 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 20.249 2.482 -26.459 1.00 0.00 H new ATOM 235 N GLY X 14 20.762 2.654 -19.784 1.00 0.00 N ATOM 236 CA GLY X 14 20.402 2.772 -18.376 1.00 0.00 C ATOM 237 C GLY X 14 21.232 1.809 -17.517 1.00 0.00 C ATOM 238 O GLY X 14 22.335 1.419 -17.902 1.00 0.00 O ATOM 0 H GLY X 14 21.551 2.034 -19.967 1.00 0.00 H new ATOM 0 HA2 GLY X 14 20.563 3.796 -18.040 1.00 0.00 H new ATOM 0 HA3 GLY X 14 19.341 2.557 -18.248 1.00 0.00 H new ATOM 242 N GLU X 15 20.690 1.424 -16.354 1.00 0.00 N ATOM 243 CA GLU X 15 21.381 0.504 -15.445 1.00 0.00 C ATOM 244 C GLU X 15 20.422 -0.571 -14.952 1.00 0.00 C ATOM 245 O GLU X 15 19.220 -0.333 -14.831 1.00 0.00 O ATOM 246 CB GLU X 15 21.920 1.248 -14.222 1.00 0.00 C ATOM 247 CG GLU X 15 22.693 2.492 -14.652 1.00 0.00 C ATOM 248 CD GLU X 15 24.047 2.102 -15.229 1.00 0.00 C ATOM 249 OE1 GLU X 15 24.939 1.815 -14.448 1.00 0.00 O ATOM 250 OE2 GLU X 15 24.172 2.093 -16.442 1.00 0.00 O ATOM 0 H GLU X 15 19.777 1.735 -16.022 1.00 0.00 H new ATOM 0 HA GLU X 15 22.205 0.055 -15.999 1.00 0.00 H new ATOM 0 HB2 GLU X 15 21.095 1.533 -13.569 1.00 0.00 H new ATOM 0 HB3 GLU X 15 22.570 0.590 -13.646 1.00 0.00 H new ATOM 0 HG2 GLU X 15 22.119 3.045 -15.395 1.00 0.00 H new ATOM 0 HG3 GLU X 15 22.832 3.155 -13.798 1.00 0.00 H new ATOM 257 N THR X 16 20.961 -1.747 -14.645 1.00 0.00 N ATOM 258 CA THR X 16 20.136 -2.848 -14.136 1.00 0.00 C ATOM 259 C THR X 16 20.947 -3.703 -13.162 1.00 0.00 C ATOM 260 O THR X 16 22.056 -4.123 -13.476 1.00 0.00 O ATOM 261 CB THR X 16 19.640 -3.704 -15.309 1.00 0.00 C ATOM 262 OG1 THR X 16 19.302 -2.851 -16.390 1.00 0.00 O ATOM 263 CG2 THR X 16 18.407 -4.513 -14.904 1.00 0.00 C ATOM 0 H THR X 16 21.953 -1.965 -14.737 1.00 0.00 H new ATOM 0 HA THR X 16 19.276 -2.438 -13.606 1.00 0.00 H new ATOM 0 HB THR X 16 20.431 -4.395 -15.601 1.00 0.00 H new ATOM 0 HG1 THR X 16 18.408 -3.080 -16.720 1.00 0.00 H new ATOM 0 HG21 THR X 16 18.071 -5.113 -15.750 1.00 0.00 H new ATOM 0 HG22 THR X 16 18.660 -5.169 -14.071 1.00 0.00 H new ATOM 0 HG23 THR X 16 17.610 -3.834 -14.602 1.00 0.00 H new ATOM 271 N THR X 17 20.389 -3.960 -11.974 1.00 0.00 N ATOM 272 CA THR X 17 21.080 -4.769 -10.963 1.00 0.00 C ATOM 273 C THR X 17 20.159 -5.858 -10.417 1.00 0.00 C ATOM 274 O THR X 17 18.935 -5.755 -10.507 1.00 0.00 O ATOM 275 CB THR X 17 21.552 -3.867 -9.814 1.00 0.00 C ATOM 276 OG1 THR X 17 21.982 -2.622 -10.346 1.00 0.00 O ATOM 277 CG2 THR X 17 22.713 -4.531 -9.065 1.00 0.00 C ATOM 0 H THR X 17 19.469 -3.623 -11.690 1.00 0.00 H new ATOM 0 HA THR X 17 21.940 -5.247 -11.431 1.00 0.00 H new ATOM 0 HB THR X 17 20.727 -3.709 -9.119 1.00 0.00 H new ATOM 0 HG1 THR X 17 22.131 -1.988 -9.614 1.00 0.00 H new ATOM 0 HG21 THR X 17 23.040 -3.883 -8.252 1.00 0.00 H new ATOM 0 HG22 THR X 17 22.384 -5.487 -8.657 1.00 0.00 H new ATOM 0 HG23 THR X 17 23.542 -4.697 -9.753 1.00 0.00 H new ATOM 285 N THR X 18 20.761 -6.901 -9.852 1.00 0.00 N ATOM 286 CA THR X 18 20.003 -8.010 -9.290 1.00 0.00 C ATOM 287 C THR X 18 20.811 -8.710 -8.196 1.00 0.00 C ATOM 288 O THR X 18 22.042 -8.693 -8.211 1.00 0.00 O ATOM 289 CB THR X 18 19.632 -9.008 -10.395 1.00 0.00 C ATOM 290 OG1 THR X 18 18.618 -9.879 -9.919 1.00 0.00 O ATOM 291 CG2 THR X 18 20.860 -9.831 -10.802 1.00 0.00 C ATOM 0 H THR X 18 21.773 -6.999 -9.772 1.00 0.00 H new ATOM 0 HA THR X 18 19.088 -7.617 -8.847 1.00 0.00 H new ATOM 0 HB THR X 18 19.271 -8.458 -11.264 1.00 0.00 H new ATOM 0 HG1 THR X 18 18.377 -10.517 -10.623 1.00 0.00 H new ATOM 0 HG21 THR X 18 20.582 -10.535 -11.587 1.00 0.00 H new ATOM 0 HG22 THR X 18 21.639 -9.164 -11.172 1.00 0.00 H new ATOM 0 HG23 THR X 18 21.233 -10.380 -9.937 1.00 0.00 H new ATOM 299 N GLU X 19 20.106 -9.332 -7.257 1.00 0.00 N ATOM 300 CA GLU X 19 20.744 -10.052 -6.150 1.00 0.00 C ATOM 301 C GLU X 19 20.664 -11.554 -6.411 1.00 0.00 C ATOM 302 O GLU X 19 19.580 -12.137 -6.418 1.00 0.00 O ATOM 303 CB GLU X 19 20.014 -9.720 -4.839 1.00 0.00 C ATOM 304 CG GLU X 19 20.733 -10.356 -3.634 1.00 0.00 C ATOM 305 CD GLU X 19 21.874 -9.464 -3.158 1.00 0.00 C ATOM 306 OE1 GLU X 19 21.619 -8.301 -2.889 1.00 0.00 O ATOM 307 OE2 GLU X 19 22.987 -9.957 -3.068 1.00 0.00 O ATOM 0 H GLU X 19 19.086 -9.354 -7.237 1.00 0.00 H new ATOM 0 HA GLU X 19 21.789 -9.751 -6.071 1.00 0.00 H new ATOM 0 HB2 GLU X 19 19.965 -8.639 -4.709 1.00 0.00 H new ATOM 0 HB3 GLU X 19 18.987 -10.082 -4.888 1.00 0.00 H new ATOM 0 HG2 GLU X 19 20.023 -10.513 -2.822 1.00 0.00 H new ATOM 0 HG3 GLU X 19 21.122 -11.336 -3.911 1.00 0.00 H new ATOM 314 N ALA X 20 21.824 -12.175 -6.637 1.00 0.00 N ATOM 315 CA ALA X 20 21.887 -13.614 -6.911 1.00 0.00 C ATOM 316 C ALA X 20 23.041 -14.264 -6.157 1.00 0.00 C ATOM 317 O ALA X 20 23.980 -13.591 -5.731 1.00 0.00 O ATOM 318 CB ALA X 20 22.076 -13.848 -8.412 1.00 0.00 C ATOM 0 H ALA X 20 22.730 -11.707 -6.636 1.00 0.00 H new ATOM 0 HA ALA X 20 20.952 -14.063 -6.577 1.00 0.00 H new ATOM 0 HB1 ALA X 20 22.122 -14.919 -8.610 1.00 0.00 H new ATOM 0 HB2 ALA X 20 21.237 -13.414 -8.956 1.00 0.00 H new ATOM 0 HB3 ALA X 20 23.003 -13.378 -8.740 1.00 0.00 H new ATOM 324 N VAL X 21 22.966 -15.583 -6.012 1.00 0.00 N ATOM 325 CA VAL X 21 24.004 -16.333 -5.327 1.00 0.00 C ATOM 326 C VAL X 21 25.170 -16.577 -6.278 1.00 0.00 C ATOM 327 O VAL X 21 26.334 -16.511 -5.883 1.00 0.00 O ATOM 328 CB VAL X 21 23.431 -17.672 -4.836 1.00 0.00 C ATOM 329 CG1 VAL X 21 22.499 -18.253 -5.901 1.00 0.00 C ATOM 330 CG2 VAL X 21 24.565 -18.668 -4.557 1.00 0.00 C ATOM 0 H VAL X 21 22.195 -16.152 -6.361 1.00 0.00 H new ATOM 0 HA VAL X 21 24.361 -15.764 -4.469 1.00 0.00 H new ATOM 0 HB VAL X 21 22.876 -17.498 -3.914 1.00 0.00 H new ATOM 0 HG11 VAL X 21 22.094 -19.202 -5.551 1.00 0.00 H new ATOM 0 HG12 VAL X 21 21.682 -17.557 -6.088 1.00 0.00 H new ATOM 0 HG13 VAL X 21 23.057 -18.415 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL X 21 24.143 -19.611 -4.210 1.00 0.00 H new ATOM 0 HG22 VAL X 21 25.133 -18.839 -5.472 1.00 0.00 H new ATOM 0 HG23 VAL X 21 25.225 -18.262 -3.791 1.00 0.00 H new ATOM 340 N ASP X 22 24.842 -16.875 -7.534 1.00 0.00 N ATOM 341 CA ASP X 22 25.864 -17.146 -8.552 1.00 0.00 C ATOM 342 C ASP X 22 25.810 -16.111 -9.669 1.00 0.00 C ATOM 343 O ASP X 22 24.784 -15.473 -9.893 1.00 0.00 O ATOM 344 CB ASP X 22 25.647 -18.534 -9.152 1.00 0.00 C ATOM 345 CG ASP X 22 25.960 -19.605 -8.111 1.00 0.00 C ATOM 346 OD1 ASP X 22 26.957 -19.462 -7.425 1.00 0.00 O ATOM 347 OD2 ASP X 22 25.197 -20.552 -8.019 1.00 0.00 O ATOM 0 H ASP X 22 23.882 -16.936 -7.873 1.00 0.00 H new ATOM 0 HA ASP X 22 26.840 -17.096 -8.069 1.00 0.00 H new ATOM 0 HB2 ASP X 22 24.616 -18.635 -9.492 1.00 0.00 H new ATOM 0 HB3 ASP X 22 26.286 -18.666 -10.025 1.00 0.00 H new ATOM 352 N ALA X 23 26.929 -15.954 -10.362 1.00 0.00 N ATOM 353 CA ALA X 23 27.016 -14.998 -11.459 1.00 0.00 C ATOM 354 C ALA X 23 26.282 -15.516 -12.695 1.00 0.00 C ATOM 355 O ALA X 23 25.602 -14.757 -13.389 1.00 0.00 O ATOM 356 CB ALA X 23 28.483 -14.738 -11.806 1.00 0.00 C ATOM 0 H ALA X 23 27.788 -16.475 -10.185 1.00 0.00 H new ATOM 0 HA ALA X 23 26.544 -14.069 -11.140 1.00 0.00 H new ATOM 0 HB1 ALA X 23 28.542 -14.023 -12.626 1.00 0.00 H new ATOM 0 HB2 ALA X 23 28.997 -14.333 -10.934 1.00 0.00 H new ATOM 0 HB3 ALA X 23 28.957 -15.673 -12.105 1.00 0.00 H new ATOM 362 N ALA X 24 26.440 -16.805 -12.974 1.00 0.00 N ATOM 363 CA ALA X 24 25.805 -17.415 -14.140 1.00 0.00 C ATOM 364 C ALA X 24 24.266 -17.383 -14.031 1.00 0.00 C ATOM 365 O ALA X 24 23.581 -17.205 -15.039 1.00 0.00 O ATOM 366 CB ALA X 24 26.277 -18.866 -14.296 1.00 0.00 C ATOM 0 H ALA X 24 27.000 -17.447 -12.412 1.00 0.00 H new ATOM 0 HA ALA X 24 26.096 -16.835 -15.016 1.00 0.00 H new ATOM 0 HB1 ALA X 24 25.798 -19.313 -15.168 1.00 0.00 H new ATOM 0 HB2 ALA X 24 27.359 -18.885 -14.427 1.00 0.00 H new ATOM 0 HB3 ALA X 24 26.009 -19.433 -13.405 1.00 0.00 H new ATOM 372 N THR X 25 23.717 -17.559 -12.816 1.00 0.00 N ATOM 373 CA THR X 25 22.265 -17.549 -12.641 1.00 0.00 C ATOM 374 C THR X 25 21.702 -16.137 -12.843 1.00 0.00 C ATOM 375 O THR X 25 20.574 -15.971 -13.307 1.00 0.00 O ATOM 376 CB THR X 25 21.887 -18.102 -11.246 1.00 0.00 C ATOM 377 OG1 THR X 25 20.603 -18.704 -11.319 1.00 0.00 O ATOM 378 CG2 THR X 25 21.860 -16.989 -10.181 1.00 0.00 C ATOM 0 H THR X 25 24.250 -17.707 -11.959 1.00 0.00 H new ATOM 0 HA THR X 25 21.821 -18.197 -13.397 1.00 0.00 H new ATOM 0 HB THR X 25 22.642 -18.833 -10.955 1.00 0.00 H new ATOM 0 HG1 THR X 25 20.357 -19.058 -10.439 1.00 0.00 H new ATOM 0 HG21 THR X 25 21.591 -17.416 -9.215 1.00 0.00 H new ATOM 0 HG22 THR X 25 22.845 -16.528 -10.112 1.00 0.00 H new ATOM 0 HG23 THR X 25 21.125 -16.235 -10.462 1.00 0.00 H new ATOM 386 N ALA X 26 22.495 -15.129 -12.489 1.00 0.00 N ATOM 387 CA ALA X 26 22.065 -13.742 -12.632 1.00 0.00 C ATOM 388 C ALA X 26 21.945 -13.364 -14.104 1.00 0.00 C ATOM 389 O ALA X 26 21.072 -12.589 -14.489 1.00 0.00 O ATOM 390 CB ALA X 26 23.063 -12.811 -11.937 1.00 0.00 C ATOM 0 H ALA X 26 23.432 -15.246 -12.104 1.00 0.00 H new ATOM 0 HA ALA X 26 21.086 -13.635 -12.165 1.00 0.00 H new ATOM 0 HB1 ALA X 26 22.735 -11.778 -12.048 1.00 0.00 H new ATOM 0 HB2 ALA X 26 23.118 -13.062 -10.878 1.00 0.00 H new ATOM 0 HB3 ALA X 26 24.047 -12.930 -12.390 1.00 0.00 H new ATOM 396 N GLU X 27 22.840 -13.912 -14.918 1.00 0.00 N ATOM 397 CA GLU X 27 22.841 -13.625 -16.349 1.00 0.00 C ATOM 398 C GLU X 27 21.497 -13.989 -16.978 1.00 0.00 C ATOM 399 O GLU X 27 21.095 -13.400 -17.972 1.00 0.00 O ATOM 400 CB GLU X 27 24.005 -14.393 -17.038 1.00 0.00 C ATOM 401 CG GLU X 27 23.491 -15.587 -17.866 1.00 0.00 C ATOM 402 CD GLU X 27 24.656 -16.441 -18.347 1.00 0.00 C ATOM 403 OE1 GLU X 27 25.057 -17.329 -17.613 1.00 0.00 O ATOM 404 OE2 GLU X 27 25.134 -16.193 -19.442 1.00 0.00 O ATOM 0 H GLU X 27 23.571 -14.555 -14.614 1.00 0.00 H new ATOM 0 HA GLU X 27 22.993 -12.555 -16.494 1.00 0.00 H new ATOM 0 HB2 GLU X 27 24.557 -13.712 -17.686 1.00 0.00 H new ATOM 0 HB3 GLU X 27 24.704 -14.749 -16.281 1.00 0.00 H new ATOM 0 HG2 GLU X 27 22.814 -16.191 -17.263 1.00 0.00 H new ATOM 0 HG3 GLU X 27 22.920 -15.226 -18.721 1.00 0.00 H new ATOM 411 N LYS X 28 20.819 -14.972 -16.407 1.00 0.00 N ATOM 412 CA LYS X 28 19.540 -15.404 -16.959 1.00 0.00 C ATOM 413 C LYS X 28 18.575 -14.229 -17.052 1.00 0.00 C ATOM 414 O LYS X 28 17.876 -14.068 -18.052 1.00 0.00 O ATOM 415 CB LYS X 28 18.930 -16.500 -16.080 1.00 0.00 C ATOM 416 CG LYS X 28 19.857 -17.722 -16.059 1.00 0.00 C ATOM 417 CD LYS X 28 19.082 -18.952 -15.568 1.00 0.00 C ATOM 418 CE LYS X 28 18.393 -18.636 -14.227 1.00 0.00 C ATOM 419 NZ LYS X 28 17.908 -19.915 -13.562 1.00 0.00 N ATOM 0 H LYS X 28 21.124 -15.480 -15.576 1.00 0.00 H new ATOM 0 HA LYS X 28 19.714 -15.799 -17.960 1.00 0.00 H new ATOM 0 HB2 LYS X 28 18.782 -16.126 -15.067 1.00 0.00 H new ATOM 0 HB3 LYS X 28 17.949 -16.782 -16.462 1.00 0.00 H new ATOM 0 HG2 LYS X 28 20.255 -17.906 -17.057 1.00 0.00 H new ATOM 0 HG3 LYS X 28 20.709 -17.533 -15.406 1.00 0.00 H new ATOM 0 HD2 LYS X 28 18.338 -19.244 -16.309 1.00 0.00 H new ATOM 0 HD3 LYS X 28 19.761 -19.796 -15.448 1.00 0.00 H new ATOM 0 HE2 LYS X 28 19.089 -18.118 -13.567 1.00 0.00 H new ATOM 0 HE3 LYS X 28 17.551 -17.964 -14.394 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 17.446 -19.683 -12.659 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 17.228 -20.394 -14.186 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 18.718 -20.543 -13.385 1.00 0.00 H new ATOM 433 N VAL X 29 18.549 -13.404 -16.017 1.00 0.00 N ATOM 434 CA VAL X 29 17.673 -12.240 -16.011 1.00 0.00 C ATOM 435 C VAL X 29 18.163 -11.196 -17.014 1.00 0.00 C ATOM 436 O VAL X 29 17.397 -10.709 -17.843 1.00 0.00 O ATOM 437 CB VAL X 29 17.633 -11.625 -14.612 1.00 0.00 C ATOM 438 CG1 VAL X 29 16.506 -10.595 -14.539 1.00 0.00 C ATOM 439 CG2 VAL X 29 17.380 -12.728 -13.579 1.00 0.00 C ATOM 0 H VAL X 29 19.118 -13.516 -15.178 1.00 0.00 H new ATOM 0 HA VAL X 29 16.671 -12.560 -16.296 1.00 0.00 H new ATOM 0 HB VAL X 29 18.585 -11.138 -14.402 1.00 0.00 H new ATOM 0 HG11 VAL X 29 16.478 -10.157 -13.541 1.00 0.00 H new ATOM 0 HG12 VAL X 29 16.682 -9.811 -15.275 1.00 0.00 H new ATOM 0 HG13 VAL X 29 15.554 -11.082 -14.748 1.00 0.00 H new ATOM 0 HG21 VAL X 29 17.351 -12.292 -12.581 1.00 0.00 H new ATOM 0 HG22 VAL X 29 16.427 -13.213 -13.791 1.00 0.00 H new ATOM 0 HG23 VAL X 29 18.182 -13.465 -13.630 1.00 0.00 H new ATOM 449 N PHE X 30 19.444 -10.856 -16.920 1.00 0.00 N ATOM 450 CA PHE X 30 20.047 -9.861 -17.801 1.00 0.00 C ATOM 451 C PHE X 30 19.997 -10.291 -19.270 1.00 0.00 C ATOM 452 O PHE X 30 19.711 -9.476 -20.148 1.00 0.00 O ATOM 453 CB PHE X 30 21.503 -9.617 -17.393 1.00 0.00 C ATOM 454 CG PHE X 30 21.555 -9.029 -15.995 1.00 0.00 C ATOM 455 CD1 PHE X 30 20.981 -7.775 -15.736 1.00 0.00 C ATOM 456 CD2 PHE X 30 22.180 -9.734 -14.956 1.00 0.00 C ATOM 457 CE1 PHE X 30 21.032 -7.234 -14.446 1.00 0.00 C ATOM 458 CE2 PHE X 30 22.231 -9.191 -13.669 1.00 0.00 C ATOM 459 CZ PHE X 30 21.656 -7.940 -13.413 1.00 0.00 C ATOM 0 H PHE X 30 20.088 -11.257 -16.239 1.00 0.00 H new ATOM 0 HA PHE X 30 19.470 -8.942 -17.699 1.00 0.00 H new ATOM 0 HB2 PHE X 30 22.061 -10.553 -17.424 1.00 0.00 H new ATOM 0 HB3 PHE X 30 21.979 -8.938 -18.101 1.00 0.00 H new ATOM 0 HD1 PHE X 30 20.500 -7.227 -16.532 1.00 0.00 H new ATOM 0 HD2 PHE X 30 22.623 -10.699 -15.151 1.00 0.00 H new ATOM 0 HE1 PHE X 30 20.588 -6.269 -14.248 1.00 0.00 H new ATOM 0 HE2 PHE X 30 22.714 -9.736 -12.872 1.00 0.00 H new ATOM 0 HZ PHE X 30 21.695 -7.521 -12.418 1.00 0.00 H new ATOM 469 N LYS X 31 20.286 -11.563 -19.541 1.00 0.00 N ATOM 470 CA LYS X 31 20.277 -12.054 -20.917 1.00 0.00 C ATOM 471 C LYS X 31 18.877 -11.954 -21.528 1.00 0.00 C ATOM 472 O LYS X 31 18.704 -11.415 -22.620 1.00 0.00 O ATOM 473 CB LYS X 31 20.758 -13.515 -20.957 1.00 0.00 C ATOM 474 CG LYS X 31 21.328 -13.850 -22.349 1.00 0.00 C ATOM 475 CD LYS X 31 22.831 -13.516 -22.409 1.00 0.00 C ATOM 476 CE LYS X 31 23.639 -14.450 -21.484 1.00 0.00 C ATOM 477 NZ LYS X 31 24.959 -14.738 -22.111 1.00 0.00 N ATOM 0 H LYS X 31 20.526 -12.262 -18.838 1.00 0.00 H new ATOM 0 HA LYS X 31 20.953 -11.432 -21.503 1.00 0.00 H new ATOM 0 HB2 LYS X 31 21.521 -13.675 -20.195 1.00 0.00 H new ATOM 0 HB3 LYS X 31 19.930 -14.185 -20.724 1.00 0.00 H new ATOM 0 HG2 LYS X 31 21.175 -14.907 -22.567 1.00 0.00 H new ATOM 0 HG3 LYS X 31 20.793 -13.286 -23.113 1.00 0.00 H new ATOM 0 HD2 LYS X 31 23.189 -13.614 -23.434 1.00 0.00 H new ATOM 0 HD3 LYS X 31 22.989 -12.479 -22.114 1.00 0.00 H new ATOM 0 HE2 LYS X 31 23.780 -13.983 -20.509 1.00 0.00 H new ATOM 0 HE3 LYS X 31 23.092 -15.378 -21.317 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 25.528 -15.326 -21.469 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 24.814 -15.245 -23.007 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 25.458 -13.844 -22.295 1.00 0.00 H new ATOM 491 N GLN X 32 17.887 -12.485 -20.818 1.00 0.00 N ATOM 492 CA GLN X 32 16.510 -12.462 -21.300 1.00 0.00 C ATOM 493 C GLN X 32 15.925 -11.055 -21.227 1.00 0.00 C ATOM 494 O GLN X 32 15.098 -10.672 -22.055 1.00 0.00 O ATOM 495 CB GLN X 32 15.657 -13.413 -20.461 1.00 0.00 C ATOM 496 CG GLN X 32 16.239 -14.825 -20.540 1.00 0.00 C ATOM 497 CD GLN X 32 15.525 -15.739 -19.551 1.00 0.00 C ATOM 498 OE1 GLN X 32 15.485 -15.451 -18.354 1.00 0.00 O ATOM 499 NE2 GLN X 32 14.947 -16.841 -19.984 1.00 0.00 N ATOM 0 H GLN X 32 18.011 -12.935 -19.911 1.00 0.00 H new ATOM 0 HA GLN X 32 16.508 -12.782 -22.342 1.00 0.00 H new ATOM 0 HB2 GLN X 32 15.631 -13.077 -19.425 1.00 0.00 H new ATOM 0 HB3 GLN X 32 14.629 -13.411 -20.823 1.00 0.00 H new ATOM 0 HG2 GLN X 32 16.131 -15.216 -21.552 1.00 0.00 H new ATOM 0 HG3 GLN X 32 17.306 -14.800 -20.320 1.00 0.00 H new ATOM 0 HE21 GLN X 32 14.981 -17.079 -20.975 1.00 0.00 H new ATOM 0 HE22 GLN X 32 14.466 -17.456 -19.328 1.00 0.00 H new ATOM 508 N TYR X 33 16.352 -10.294 -20.228 1.00 0.00 N ATOM 509 CA TYR X 33 15.861 -8.939 -20.042 1.00 0.00 C ATOM 510 C TYR X 33 16.192 -8.067 -21.257 1.00 0.00 C ATOM 511 O TYR X 33 15.420 -7.180 -21.621 1.00 0.00 O ATOM 512 CB TYR X 33 16.501 -8.352 -18.784 1.00 0.00 C ATOM 513 CG TYR X 33 16.285 -6.858 -18.748 1.00 0.00 C ATOM 514 CD1 TYR X 33 14.985 -6.346 -18.656 1.00 0.00 C ATOM 515 CD2 TYR X 33 17.379 -5.982 -18.804 1.00 0.00 C ATOM 516 CE1 TYR X 33 14.778 -4.961 -18.622 1.00 0.00 C ATOM 517 CE2 TYR X 33 17.171 -4.599 -18.769 1.00 0.00 C ATOM 518 CZ TYR X 33 15.871 -4.088 -18.679 1.00 0.00 C ATOM 519 OH TYR X 33 15.666 -2.723 -18.645 1.00 0.00 O ATOM 0 H TYR X 33 17.038 -10.594 -19.535 1.00 0.00 H new ATOM 0 HA TYR X 33 14.777 -8.962 -19.932 1.00 0.00 H new ATOM 0 HB2 TYR X 33 16.068 -8.813 -17.896 1.00 0.00 H new ATOM 0 HB3 TYR X 33 17.568 -8.575 -18.770 1.00 0.00 H new ATOM 0 HD1 TYR X 33 14.142 -7.019 -18.611 1.00 0.00 H new ATOM 0 HD2 TYR X 33 18.382 -6.375 -18.874 1.00 0.00 H new ATOM 0 HE1 TYR X 33 13.775 -4.567 -18.552 1.00 0.00 H new ATOM 0 HE2 TYR X 33 18.014 -3.925 -18.811 1.00 0.00 H new ATOM 0 HH TYR X 33 16.529 -2.261 -18.692 1.00 0.00 H new ATOM 529 N ALA X 34 17.340 -8.317 -21.868 1.00 0.00 N ATOM 530 CA ALA X 34 17.760 -7.537 -23.029 1.00 0.00 C ATOM 531 C ALA X 34 16.731 -7.670 -24.162 1.00 0.00 C ATOM 532 O ALA X 34 16.373 -6.679 -24.797 1.00 0.00 O ATOM 533 CB ALA X 34 19.143 -8.017 -23.500 1.00 0.00 C ATOM 0 H ALA X 34 17.994 -9.046 -21.585 1.00 0.00 H new ATOM 0 HA ALA X 34 17.825 -6.486 -22.749 1.00 0.00 H new ATOM 0 HB1 ALA X 34 19.455 -7.434 -24.366 1.00 0.00 H new ATOM 0 HB2 ALA X 34 19.867 -7.887 -22.695 1.00 0.00 H new ATOM 0 HB3 ALA X 34 19.089 -9.071 -23.772 1.00 0.00 H new ATOM 539 N ASN X 35 16.247 -8.889 -24.410 1.00 0.00 N ATOM 540 CA ASN X 35 15.265 -9.090 -25.453 1.00 0.00 C ATOM 541 C ASN X 35 13.961 -8.400 -25.064 1.00 0.00 C ATOM 542 O ASN X 35 13.251 -7.856 -25.910 1.00 0.00 O ATOM 543 CB ASN X 35 15.019 -10.583 -25.652 1.00 0.00 C ATOM 544 CG ASN X 35 14.296 -10.818 -26.977 1.00 0.00 C ATOM 545 OD1 ASN X 35 14.225 -11.952 -27.450 1.00 0.00 O ATOM 546 ND2 ASN X 35 13.751 -9.809 -27.613 1.00 0.00 N ATOM 0 H ASN X 35 16.520 -9.733 -23.907 1.00 0.00 H new ATOM 0 HA ASN X 35 15.636 -8.663 -26.385 1.00 0.00 H new ATOM 0 HB2 ASN X 35 15.967 -11.121 -25.644 1.00 0.00 H new ATOM 0 HB3 ASN X 35 14.423 -10.975 -24.828 1.00 0.00 H new ATOM 0 HD21 ASN X 35 13.269 -9.965 -28.498 1.00 0.00 H new ATOM 0 HD22 ASN X 35 13.809 -8.869 -27.222 1.00 0.00 H new ATOM 553 N ASP X 36 13.657 -8.437 -23.769 1.00 0.00 N ATOM 554 CA ASP X 36 12.443 -7.824 -23.250 1.00 0.00 C ATOM 555 C ASP X 36 12.479 -6.299 -23.367 1.00 0.00 C ATOM 556 O ASP X 36 11.433 -5.663 -23.509 1.00 0.00 O ATOM 557 CB ASP X 36 12.259 -8.224 -21.784 1.00 0.00 C ATOM 558 CG ASP X 36 12.646 -9.686 -21.595 1.00 0.00 C ATOM 559 OD1 ASP X 36 12.792 -10.373 -22.594 1.00 0.00 O ATOM 560 OD2 ASP X 36 12.793 -10.098 -20.457 1.00 0.00 O ATOM 0 H ASP X 36 14.237 -8.886 -23.061 1.00 0.00 H new ATOM 0 HA ASP X 36 11.604 -8.182 -23.847 1.00 0.00 H new ATOM 0 HB2 ASP X 36 12.874 -7.590 -21.145 1.00 0.00 H new ATOM 0 HB3 ASP X 36 11.223 -8.071 -21.483 1.00 0.00 H new ATOM 565 N ASN X 37 13.674 -5.701 -23.281 1.00 0.00 N ATOM 566 CA ASN X 37 13.792 -4.242 -23.351 1.00 0.00 C ATOM 567 C ASN X 37 14.116 -3.760 -24.772 1.00 0.00 C ATOM 568 O ASN X 37 13.781 -2.632 -25.131 1.00 0.00 O ATOM 569 CB ASN X 37 14.842 -3.765 -22.340 1.00 0.00 C ATOM 570 CG ASN X 37 16.259 -3.919 -22.881 1.00 0.00 C ATOM 571 OD1 ASN X 37 16.471 -4.502 -23.941 1.00 0.00 O ATOM 572 ND2 ASN X 37 17.255 -3.422 -22.194 1.00 0.00 N ATOM 0 H ASN X 37 14.558 -6.196 -23.165 1.00 0.00 H new ATOM 0 HA ASN X 37 12.828 -3.804 -23.092 1.00 0.00 H new ATOM 0 HB2 ASN X 37 14.659 -2.719 -22.092 1.00 0.00 H new ATOM 0 HB3 ASN X 37 14.742 -4.334 -21.416 1.00 0.00 H new ATOM 0 HD21 ASN X 37 18.210 -3.518 -22.538 1.00 0.00 H new ATOM 0 HD22 ASN X 37 17.076 -2.938 -21.314 1.00 0.00 H new ATOM 579 N GLY X 38 14.730 -4.625 -25.598 1.00 0.00 N ATOM 580 CA GLY X 38 15.039 -4.264 -26.992 1.00 0.00 C ATOM 581 C GLY X 38 16.532 -4.345 -27.328 1.00 0.00 C ATOM 582 O GLY X 38 16.894 -4.784 -28.420 1.00 0.00 O ATOM 0 H GLY X 38 15.018 -5.566 -25.330 1.00 0.00 H new ATOM 0 HA2 GLY X 38 14.488 -4.925 -27.661 1.00 0.00 H new ATOM 0 HA3 GLY X 38 14.686 -3.251 -27.183 1.00 0.00 H new ATOM 586 N VAL X 39 17.397 -3.896 -26.420 1.00 0.00 N ATOM 587 CA VAL X 39 18.837 -3.906 -26.692 1.00 0.00 C ATOM 588 C VAL X 39 19.444 -5.296 -26.468 1.00 0.00 C ATOM 589 O VAL X 39 19.591 -5.751 -25.335 1.00 0.00 O ATOM 590 CB VAL X 39 19.532 -2.854 -25.803 1.00 0.00 C ATOM 591 CG1 VAL X 39 18.962 -2.914 -24.388 1.00 0.00 C ATOM 592 CG2 VAL X 39 21.045 -3.102 -25.747 1.00 0.00 C ATOM 0 H VAL X 39 17.135 -3.527 -25.506 1.00 0.00 H new ATOM 0 HA VAL X 39 18.994 -3.654 -27.741 1.00 0.00 H new ATOM 0 HB VAL X 39 19.351 -1.870 -26.235 1.00 0.00 H new ATOM 0 HG11 VAL X 39 19.456 -2.169 -23.765 1.00 0.00 H new ATOM 0 HG12 VAL X 39 17.892 -2.710 -24.418 1.00 0.00 H new ATOM 0 HG13 VAL X 39 19.130 -3.906 -23.970 1.00 0.00 H new ATOM 0 HG21 VAL X 39 21.514 -2.348 -25.115 1.00 0.00 H new ATOM 0 HG22 VAL X 39 21.236 -4.092 -25.334 1.00 0.00 H new ATOM 0 HG23 VAL X 39 21.461 -3.042 -26.753 1.00 0.00 H new ATOM 602 N ASP X 40 19.812 -5.956 -27.569 1.00 0.00 N ATOM 603 CA ASP X 40 20.427 -7.290 -27.515 1.00 0.00 C ATOM 604 C ASP X 40 21.734 -7.295 -28.319 1.00 0.00 C ATOM 605 O ASP X 40 21.702 -7.177 -29.544 1.00 0.00 O ATOM 606 CB ASP X 40 19.453 -8.328 -28.093 1.00 0.00 C ATOM 607 CG ASP X 40 19.817 -9.732 -27.611 1.00 0.00 C ATOM 608 OD1 ASP X 40 20.968 -10.107 -27.757 1.00 0.00 O ATOM 609 OD2 ASP X 40 18.938 -10.409 -27.104 1.00 0.00 O ATOM 0 H ASP X 40 19.695 -5.589 -28.513 1.00 0.00 H new ATOM 0 HA ASP X 40 20.649 -7.543 -26.478 1.00 0.00 H new ATOM 0 HB2 ASP X 40 18.434 -8.087 -27.791 1.00 0.00 H new ATOM 0 HB3 ASP X 40 19.479 -8.293 -29.182 1.00 0.00 H new ATOM 614 N GLY X 41 22.884 -7.423 -27.640 1.00 0.00 N ATOM 615 CA GLY X 41 24.175 -7.425 -28.343 1.00 0.00 C ATOM 616 C GLY X 41 25.162 -8.428 -27.733 1.00 0.00 C ATOM 617 O GLY X 41 24.756 -9.398 -27.092 1.00 0.00 O ATOM 0 H GLY X 41 22.947 -7.524 -26.627 1.00 0.00 H new ATOM 0 HA2 GLY X 41 24.015 -7.668 -29.394 1.00 0.00 H new ATOM 0 HA3 GLY X 41 24.607 -6.425 -28.309 1.00 0.00 H new ATOM 621 N GLU X 42 26.465 -8.183 -27.938 1.00 0.00 N ATOM 622 CA GLU X 42 27.488 -9.061 -27.411 1.00 0.00 C ATOM 623 C GLU X 42 27.644 -8.848 -25.911 1.00 0.00 C ATOM 624 O GLU X 42 27.586 -7.719 -25.427 1.00 0.00 O ATOM 625 CB GLU X 42 28.819 -8.797 -28.116 1.00 0.00 C ATOM 626 CG GLU X 42 28.601 -8.772 -29.633 1.00 0.00 C ATOM 627 CD GLU X 42 28.017 -7.430 -30.062 1.00 0.00 C ATOM 628 OE1 GLU X 42 28.772 -6.474 -30.138 1.00 0.00 O ATOM 629 OE2 GLU X 42 26.823 -7.377 -30.308 1.00 0.00 O ATOM 0 H GLU X 42 26.821 -7.385 -28.464 1.00 0.00 H new ATOM 0 HA GLU X 42 27.189 -10.094 -27.590 1.00 0.00 H new ATOM 0 HB2 GLU X 42 29.236 -7.847 -27.783 1.00 0.00 H new ATOM 0 HB3 GLU X 42 29.540 -9.571 -27.855 1.00 0.00 H new ATOM 0 HG2 GLU X 42 29.547 -8.945 -30.146 1.00 0.00 H new ATOM 0 HG3 GLU X 42 27.928 -9.579 -29.924 1.00 0.00 H new ATOM 636 N TRP X 43 27.810 -9.947 -25.179 1.00 0.00 N ATOM 637 CA TRP X 43 27.935 -9.895 -23.723 1.00 0.00 C ATOM 638 C TRP X 43 29.369 -10.085 -23.250 1.00 0.00 C ATOM 639 O TRP X 43 30.236 -10.567 -23.980 1.00 0.00 O ATOM 640 CB TRP X 43 27.065 -10.993 -23.111 1.00 0.00 C ATOM 641 CG TRP X 43 25.628 -10.618 -23.253 1.00 0.00 C ATOM 642 CD1 TRP X 43 24.855 -10.851 -24.339 1.00 0.00 C ATOM 643 CD2 TRP X 43 24.786 -9.937 -22.290 1.00 0.00 C ATOM 644 NE1 TRP X 43 23.591 -10.344 -24.102 1.00 0.00 N ATOM 645 CE2 TRP X 43 23.500 -9.775 -22.848 1.00 0.00 C ATOM 646 CE3 TRP X 43 25.016 -9.448 -20.995 1.00 0.00 C ATOM 647 CZ2 TRP X 43 22.476 -9.149 -22.147 1.00 0.00 C ATOM 648 CZ3 TRP X 43 23.987 -8.819 -20.285 1.00 0.00 C ATOM 649 CH2 TRP X 43 22.718 -8.669 -20.859 1.00 0.00 C ATOM 0 H TRP X 43 27.861 -10.887 -25.571 1.00 0.00 H new ATOM 0 HA TRP X 43 27.611 -8.905 -23.402 1.00 0.00 H new ATOM 0 HB2 TRP X 43 27.256 -11.944 -23.608 1.00 0.00 H new ATOM 0 HB3 TRP X 43 27.316 -11.128 -22.059 1.00 0.00 H new ATOM 0 HD1 TRP X 43 25.173 -11.351 -25.242 1.00 0.00 H new ATOM 0 HE1 TRP X 43 22.822 -10.385 -24.770 1.00 0.00 H new ATOM 0 HE3 TRP X 43 25.991 -9.558 -20.544 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 21.500 -9.035 -22.596 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 24.172 -8.447 -19.288 1.00 0.00 H new ATOM 0 HH2 TRP X 43 21.928 -8.183 -20.306 1.00 0.00 H new ATOM 660 N THR X 44 29.581 -9.707 -21.996 1.00 0.00 N ATOM 661 CA THR X 44 30.876 -9.826 -21.345 1.00 0.00 C ATOM 662 C THR X 44 30.653 -9.862 -19.834 1.00 0.00 C ATOM 663 O THR X 44 29.553 -9.559 -19.369 1.00 0.00 O ATOM 664 CB THR X 44 31.754 -8.631 -21.716 1.00 0.00 C ATOM 665 OG1 THR X 44 33.048 -8.803 -21.156 1.00 0.00 O ATOM 666 CG2 THR X 44 31.120 -7.357 -21.165 1.00 0.00 C ATOM 0 H THR X 44 28.855 -9.308 -21.401 1.00 0.00 H new ATOM 0 HA THR X 44 31.378 -10.738 -21.669 1.00 0.00 H new ATOM 0 HB THR X 44 31.840 -8.557 -22.800 1.00 0.00 H new ATOM 0 HG1 THR X 44 33.612 -8.038 -21.395 1.00 0.00 H new ATOM 0 HG21 THR X 44 31.741 -6.500 -21.426 1.00 0.00 H new ATOM 0 HG22 THR X 44 30.126 -7.230 -21.595 1.00 0.00 H new ATOM 0 HG23 THR X 44 31.039 -7.430 -20.080 1.00 0.00 H new ATOM 674 N TYR X 45 31.670 -10.228 -19.059 1.00 0.00 N ATOM 675 CA TYR X 45 31.493 -10.275 -17.615 1.00 0.00 C ATOM 676 C TYR X 45 32.810 -10.516 -16.890 1.00 0.00 C ATOM 677 O TYR X 45 33.590 -11.392 -17.260 1.00 0.00 O ATOM 678 CB TYR X 45 30.502 -11.390 -17.258 1.00 0.00 C ATOM 679 CG TYR X 45 30.482 -11.632 -15.756 1.00 0.00 C ATOM 680 CD1 TYR X 45 30.167 -10.587 -14.880 1.00 0.00 C ATOM 681 CD2 TYR X 45 30.764 -12.909 -15.249 1.00 0.00 C ATOM 682 CE1 TYR X 45 30.136 -10.818 -13.499 1.00 0.00 C ATOM 683 CE2 TYR X 45 30.729 -13.138 -13.870 1.00 0.00 C ATOM 684 CZ TYR X 45 30.416 -12.094 -12.994 1.00 0.00 C ATOM 685 OH TYR X 45 30.376 -12.323 -11.635 1.00 0.00 O ATOM 0 H TYR X 45 32.597 -10.489 -19.395 1.00 0.00 H new ATOM 0 HA TYR X 45 31.107 -9.308 -17.294 1.00 0.00 H new ATOM 0 HB2 TYR X 45 29.503 -11.119 -17.601 1.00 0.00 H new ATOM 0 HB3 TYR X 45 30.779 -12.309 -17.776 1.00 0.00 H new ATOM 0 HD1 TYR X 45 29.948 -9.603 -15.269 1.00 0.00 H new ATOM 0 HD2 TYR X 45 31.008 -13.716 -15.924 1.00 0.00 H new ATOM 0 HE1 TYR X 45 29.896 -10.011 -12.823 1.00 0.00 H new ATOM 0 HE2 TYR X 45 30.944 -14.122 -13.481 1.00 0.00 H new ATOM 0 HH TYR X 45 29.501 -12.056 -11.284 1.00 0.00 H new ATOM 695 N ASP X 46 33.019 -9.748 -15.825 1.00 0.00 N ATOM 696 CA ASP X 46 34.209 -9.889 -14.997 1.00 0.00 C ATOM 697 C ASP X 46 33.768 -10.154 -13.552 1.00 0.00 C ATOM 698 O ASP X 46 33.181 -9.285 -12.907 1.00 0.00 O ATOM 699 CB ASP X 46 35.056 -8.616 -15.071 1.00 0.00 C ATOM 700 CG ASP X 46 36.172 -8.698 -14.037 1.00 0.00 C ATOM 701 OD1 ASP X 46 36.620 -9.799 -13.763 1.00 0.00 O ATOM 702 OD2 ASP X 46 36.565 -7.657 -13.537 1.00 0.00 O ATOM 0 H ASP X 46 32.376 -9.019 -15.515 1.00 0.00 H new ATOM 0 HA ASP X 46 34.816 -10.721 -15.355 1.00 0.00 H new ATOM 0 HB2 ASP X 46 35.477 -8.502 -16.070 1.00 0.00 H new ATOM 0 HB3 ASP X 46 34.435 -7.740 -14.885 1.00 0.00 H new ATOM 707 N ASP X 47 34.040 -11.362 -13.055 1.00 0.00 N ATOM 708 CA ASP X 47 33.648 -11.726 -11.697 1.00 0.00 C ATOM 709 C ASP X 47 34.377 -10.879 -10.658 1.00 0.00 C ATOM 710 O ASP X 47 33.984 -10.844 -9.494 1.00 0.00 O ATOM 711 CB ASP X 47 33.948 -13.205 -11.449 1.00 0.00 C ATOM 712 CG ASP X 47 33.392 -13.632 -10.095 1.00 0.00 C ATOM 713 OD1 ASP X 47 32.540 -12.928 -9.580 1.00 0.00 O ATOM 714 OD2 ASP X 47 33.827 -14.655 -9.593 1.00 0.00 O ATOM 0 H ASP X 47 34.526 -12.097 -13.569 1.00 0.00 H new ATOM 0 HA ASP X 47 32.578 -11.541 -11.598 1.00 0.00 H new ATOM 0 HB2 ASP X 47 33.506 -13.811 -12.240 1.00 0.00 H new ATOM 0 HB3 ASP X 47 35.024 -13.376 -11.479 1.00 0.00 H new ATOM 719 N ALA X 48 35.443 -10.208 -11.077 1.00 0.00 N ATOM 720 CA ALA X 48 36.215 -9.378 -10.157 1.00 0.00 C ATOM 721 C ALA X 48 35.543 -8.016 -9.927 1.00 0.00 C ATOM 722 O ALA X 48 35.595 -7.478 -8.822 1.00 0.00 O ATOM 723 CB ALA X 48 37.626 -9.169 -10.709 1.00 0.00 C ATOM 0 H ALA X 48 35.791 -10.220 -12.036 1.00 0.00 H new ATOM 0 HA ALA X 48 36.265 -9.896 -9.199 1.00 0.00 H new ATOM 0 HB1 ALA X 48 38.198 -8.549 -10.019 1.00 0.00 H new ATOM 0 HB2 ALA X 48 38.119 -10.135 -10.823 1.00 0.00 H new ATOM 0 HB3 ALA X 48 37.568 -8.674 -11.679 1.00 0.00 H new ATOM 729 N THR X 49 34.919 -7.455 -10.973 1.00 0.00 N ATOM 730 CA THR X 49 34.254 -6.148 -10.858 1.00 0.00 C ATOM 731 C THR X 49 32.737 -6.322 -10.755 1.00 0.00 C ATOM 732 O THR X 49 32.000 -5.336 -10.703 1.00 0.00 O ATOM 733 CB THR X 49 34.597 -5.266 -12.079 1.00 0.00 C ATOM 734 OG1 THR X 49 34.608 -6.068 -13.249 1.00 0.00 O ATOM 735 CG2 THR X 49 35.975 -4.621 -11.894 1.00 0.00 C ATOM 0 H THR X 49 34.861 -7.880 -11.899 1.00 0.00 H new ATOM 0 HA THR X 49 34.613 -5.660 -9.952 1.00 0.00 H new ATOM 0 HB THR X 49 33.846 -4.482 -12.174 1.00 0.00 H new ATOM 0 HG1 THR X 49 35.519 -6.387 -13.418 1.00 0.00 H new ATOM 0 HG21 THR X 49 36.206 -4.002 -12.761 1.00 0.00 H new ATOM 0 HG22 THR X 49 35.970 -4.002 -10.997 1.00 0.00 H new ATOM 0 HG23 THR X 49 36.731 -5.400 -11.793 1.00 0.00 H new ATOM 743 N LYS X 50 32.269 -7.571 -10.723 1.00 0.00 N ATOM 744 CA LYS X 50 30.838 -7.836 -10.625 1.00 0.00 C ATOM 745 C LYS X 50 30.053 -6.880 -11.534 1.00 0.00 C ATOM 746 O LYS X 50 29.177 -6.149 -11.070 1.00 0.00 O ATOM 747 CB LYS X 50 30.358 -7.674 -9.159 1.00 0.00 C ATOM 748 CG LYS X 50 31.469 -8.047 -8.154 1.00 0.00 C ATOM 749 CD LYS X 50 31.784 -9.554 -8.203 1.00 0.00 C ATOM 750 CE LYS X 50 30.791 -10.335 -7.335 1.00 0.00 C ATOM 751 NZ LYS X 50 31.073 -11.795 -7.445 1.00 0.00 N ATOM 0 H LYS X 50 32.855 -8.405 -10.763 1.00 0.00 H new ATOM 0 HA LYS X 50 30.657 -8.861 -10.947 1.00 0.00 H new ATOM 0 HB2 LYS X 50 30.044 -6.644 -8.990 1.00 0.00 H new ATOM 0 HB3 LYS X 50 29.486 -8.305 -8.989 1.00 0.00 H new ATOM 0 HG2 LYS X 50 32.371 -7.477 -8.377 1.00 0.00 H new ATOM 0 HG3 LYS X 50 31.159 -7.771 -7.146 1.00 0.00 H new ATOM 0 HD2 LYS X 50 31.735 -9.909 -9.232 1.00 0.00 H new ATOM 0 HD3 LYS X 50 32.801 -9.731 -7.853 1.00 0.00 H new ATOM 0 HE2 LYS X 50 30.871 -10.016 -6.296 1.00 0.00 H new ATOM 0 HE3 LYS X 50 29.770 -10.126 -7.655 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 30.224 -12.288 -7.790 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 31.857 -11.948 -8.111 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 31.335 -12.169 -6.511 1.00 0.00 H new ATOM 765 N THR X 51 30.374 -6.874 -12.831 1.00 0.00 N ATOM 766 CA THR X 51 29.685 -5.977 -13.774 1.00 0.00 C ATOM 767 C THR X 51 29.492 -6.627 -15.153 1.00 0.00 C ATOM 768 O THR X 51 30.445 -7.127 -15.752 1.00 0.00 O ATOM 769 CB THR X 51 30.494 -4.683 -13.936 1.00 0.00 C ATOM 770 OG1 THR X 51 30.732 -4.111 -12.658 1.00 0.00 O ATOM 771 CG2 THR X 51 29.711 -3.691 -14.804 1.00 0.00 C ATOM 0 H THR X 51 31.091 -7.466 -13.250 1.00 0.00 H new ATOM 0 HA THR X 51 28.699 -5.763 -13.363 1.00 0.00 H new ATOM 0 HB THR X 51 31.446 -4.909 -14.416 1.00 0.00 H new ATOM 0 HG1 THR X 51 31.388 -4.655 -12.173 1.00 0.00 H new ATOM 0 HG21 THR X 51 30.288 -2.773 -14.918 1.00 0.00 H new ATOM 0 HG22 THR X 51 29.530 -4.130 -15.785 1.00 0.00 H new ATOM 0 HG23 THR X 51 28.758 -3.464 -14.327 1.00 0.00 H new ATOM 779 N PHE X 52 28.249 -6.584 -15.662 1.00 0.00 N ATOM 780 CA PHE X 52 27.929 -7.134 -16.976 1.00 0.00 C ATOM 781 C PHE X 52 27.664 -5.988 -17.948 1.00 0.00 C ATOM 782 O PHE X 52 27.254 -4.909 -17.530 1.00 0.00 O ATOM 783 CB PHE X 52 26.676 -8.001 -16.882 1.00 0.00 C ATOM 784 CG PHE X 52 26.972 -9.258 -16.107 1.00 0.00 C ATOM 785 CD1 PHE X 52 27.078 -9.213 -14.713 1.00 0.00 C ATOM 786 CD2 PHE X 52 27.124 -10.476 -16.781 1.00 0.00 C ATOM 787 CE1 PHE X 52 27.340 -10.385 -13.993 1.00 0.00 C ATOM 788 CE2 PHE X 52 27.383 -11.648 -16.061 1.00 0.00 C ATOM 789 CZ PHE X 52 27.491 -11.602 -14.668 1.00 0.00 C ATOM 0 H PHE X 52 27.453 -6.171 -15.176 1.00 0.00 H new ATOM 0 HA PHE X 52 28.766 -7.738 -17.326 1.00 0.00 H new ATOM 0 HB2 PHE X 52 25.875 -7.445 -16.395 1.00 0.00 H new ATOM 0 HB3 PHE X 52 26.325 -8.255 -17.882 1.00 0.00 H new ATOM 0 HD1 PHE X 52 26.958 -8.275 -14.192 1.00 0.00 H new ATOM 0 HD2 PHE X 52 27.041 -10.511 -17.857 1.00 0.00 H new ATOM 0 HE1 PHE X 52 27.426 -10.350 -12.917 1.00 0.00 H new ATOM 0 HE2 PHE X 52 27.499 -12.587 -16.581 1.00 0.00 H new ATOM 0 HZ PHE X 52 27.691 -12.506 -14.112 1.00 0.00 H new ATOM 799 N THR X 53 27.881 -6.215 -19.241 1.00 0.00 N ATOM 800 CA THR X 53 27.631 -5.167 -20.232 1.00 0.00 C ATOM 801 C THR X 53 27.254 -5.785 -21.582 1.00 0.00 C ATOM 802 O THR X 53 27.952 -6.667 -22.079 1.00 0.00 O ATOM 803 CB THR X 53 28.867 -4.272 -20.412 1.00 0.00 C ATOM 804 OG1 THR X 53 29.927 -5.039 -20.951 1.00 0.00 O ATOM 805 CG2 THR X 53 29.301 -3.678 -19.067 1.00 0.00 C ATOM 0 H THR X 53 28.223 -7.097 -19.624 1.00 0.00 H new ATOM 0 HA THR X 53 26.804 -4.558 -19.867 1.00 0.00 H new ATOM 0 HB THR X 53 28.615 -3.457 -21.091 1.00 0.00 H new ATOM 0 HG1 THR X 53 30.716 -4.470 -21.068 1.00 0.00 H new ATOM 0 HG21 THR X 53 30.178 -3.047 -19.214 1.00 0.00 H new ATOM 0 HG22 THR X 53 28.489 -3.080 -18.654 1.00 0.00 H new ATOM 0 HG23 THR X 53 29.546 -4.484 -18.375 1.00 0.00 H new ATOM 813 N VAL X 54 26.152 -5.311 -22.184 1.00 0.00 N ATOM 814 CA VAL X 54 25.715 -5.825 -23.489 1.00 0.00 C ATOM 815 C VAL X 54 25.841 -4.723 -24.544 1.00 0.00 C ATOM 816 O VAL X 54 25.300 -3.629 -24.381 1.00 0.00 O ATOM 817 CB VAL X 54 24.264 -6.316 -23.404 1.00 0.00 C ATOM 818 CG1 VAL X 54 23.328 -5.131 -23.161 1.00 0.00 C ATOM 819 CG2 VAL X 54 23.880 -7.018 -24.715 1.00 0.00 C ATOM 0 H VAL X 54 25.555 -4.582 -21.793 1.00 0.00 H new ATOM 0 HA VAL X 54 26.349 -6.665 -23.774 1.00 0.00 H new ATOM 0 HB VAL X 54 24.172 -7.019 -22.577 1.00 0.00 H new ATOM 0 HG11 VAL X 54 22.299 -5.486 -23.102 1.00 0.00 H new ATOM 0 HG12 VAL X 54 23.597 -4.641 -22.225 1.00 0.00 H new ATOM 0 HG13 VAL X 54 23.420 -4.420 -23.983 1.00 0.00 H new ATOM 0 HG21 VAL X 54 22.849 -7.366 -24.653 1.00 0.00 H new ATOM 0 HG22 VAL X 54 23.977 -6.318 -25.545 1.00 0.00 H new ATOM 0 HG23 VAL X 54 24.541 -7.869 -24.879 1.00 0.00 H new ATOM 829 N THR X 55 26.588 -5.010 -25.616 1.00 0.00 N ATOM 830 CA THR X 55 26.814 -4.029 -26.692 1.00 0.00 C ATOM 831 C THR X 55 26.417 -4.599 -28.060 1.00 0.00 C ATOM 832 O THR X 55 26.962 -5.609 -28.501 1.00 0.00 O ATOM 833 CB THR X 55 28.299 -3.601 -26.704 1.00 0.00 C ATOM 834 OG1 THR X 55 28.427 -2.375 -27.409 1.00 0.00 O ATOM 835 CG2 THR X 55 29.171 -4.668 -27.382 1.00 0.00 C ATOM 0 H THR X 55 27.046 -5.909 -25.765 1.00 0.00 H new ATOM 0 HA THR X 55 26.186 -3.159 -26.498 1.00 0.00 H new ATOM 0 HB THR X 55 28.634 -3.481 -25.674 1.00 0.00 H new ATOM 0 HG1 THR X 55 28.192 -1.631 -26.816 1.00 0.00 H new ATOM 0 HG21 THR X 55 30.212 -4.344 -27.378 1.00 0.00 H new ATOM 0 HG22 THR X 55 29.082 -5.609 -26.839 1.00 0.00 H new ATOM 0 HG23 THR X 55 28.839 -4.809 -28.411 1.00 0.00 H new ATOM 843 N GLU X 56 25.465 -3.933 -28.734 1.00 0.00 N ATOM 844 CA GLU X 56 25.004 -4.371 -30.055 1.00 0.00 C ATOM 845 C GLU X 56 25.562 -3.447 -31.137 1.00 0.00 C ATOM 846 O GLU X 56 25.706 -3.902 -32.260 1.00 0.00 O ATOM 847 CB GLU X 56 23.469 -4.366 -30.100 1.00 0.00 C ATOM 848 CG GLU X 56 22.937 -3.200 -29.268 1.00 0.00 C ATOM 849 CD GLU X 56 21.414 -3.146 -29.356 1.00 0.00 C ATOM 850 OE1 GLU X 56 20.844 -4.032 -29.971 1.00 0.00 O ATOM 851 OE2 GLU X 56 20.841 -2.218 -28.808 1.00 0.00 O ATOM 852 OXT GLU X 56 25.836 -2.301 -30.825 1.00 0.00 O ATOM 0 H GLU X 56 25.003 -3.093 -28.385 1.00 0.00 H new ATOM 0 HA GLU X 56 25.362 -5.384 -30.238 1.00 0.00 H new ATOM 0 HB2 GLU X 56 23.125 -4.277 -31.131 1.00 0.00 H new ATOM 0 HB3 GLU X 56 23.080 -5.309 -29.714 1.00 0.00 H new ATOM 0 HG2 GLU X 56 23.245 -3.314 -28.229 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.363 -2.263 -29.626 1.00 0.00 H new