USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 82 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 31 GLN : amide:sc= -0.693 K(o=-0.77,f=-2.3!) USER MOD Set 1.2: A 34 GLN : amide:sc= -0.0755 K(o=-0.77,f=-1.5) USER MOD Set 2.1: A 19 GLN :FLIP amide:sc= -5.99! C(o=-7.3!,f=-5.6!) USER MOD Set 2.2: A 30 GLN :FLIP amide:sc= 0.354 F(o=-7.3,f=-5.6) USER MOD Set 3.1: A 17 MET CE :methyl -151:sc= -0.788 (180deg=-0.685) USER MOD Set 3.2: A 25 LYS NZ :NH3+ 144:sc= 0.0952 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0298 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 165:sc= -0.0292 (180deg=-0.276) USER MOD Single : A 16 LYS NZ :NH3+ -113:sc= 0.11 (180deg=-0.522) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 86:sc= 0.152 USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0258 (180deg=-0.463) USER MOD Single : A 32 SER OG : rot 180:sc= -1.07 USER MOD Single : A 41 THR OG1 : rot -160:sc= -2.29! USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0353) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0.605 USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 4 3.870 6.384 0.867 1.00 0.00 N ATOM 29 CA LEU A 4 3.527 5.006 0.469 1.00 0.00 C ATOM 30 C LEU A 4 2.587 4.349 1.496 1.00 0.00 C ATOM 31 O LEU A 4 1.388 4.214 1.245 1.00 0.00 O ATOM 32 CB LEU A 4 4.793 4.120 0.441 1.00 0.00 C ATOM 33 CG LEU A 4 5.840 4.396 -0.643 1.00 0.00 C ATOM 34 CD1 LEU A 4 6.639 5.677 -0.376 1.00 0.00 C ATOM 35 CD2 LEU A 4 6.787 3.204 -0.651 1.00 0.00 C ATOM 0 HA LEU A 4 3.056 5.076 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.284 4.209 1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.473 3.083 0.340 1.00 0.00 H new ATOM 0 HG LEU A 4 5.338 4.535 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.367 5.825 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.960 6.529 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.159 5.589 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.554 3.354 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.258 3.107 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.227 2.296 -0.875 1.00 0.00 H new ATOM 37 N SER A 5 3.052 4.404 2.741 1.00 0.00 N ATOM 38 CA SER A 5 2.423 3.737 3.894 1.00 0.00 C ATOM 39 C SER A 5 1.096 4.376 4.288 1.00 0.00 C ATOM 40 O SER A 5 0.062 3.712 4.213 1.00 0.00 O ATOM 41 CB SER A 5 3.402 3.768 5.069 1.00 0.00 C ATOM 42 OG SER A 5 3.993 5.055 5.251 1.00 0.00 O ATOM 0 H SER A 5 3.894 4.923 2.989 1.00 0.00 H new ATOM 0 HA SER A 5 2.196 2.709 3.613 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.880 3.479 5.981 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.187 3.031 4.904 1.00 0.00 H new ATOM 0 HG SER A 5 4.609 5.027 6.013 1.00 0.00 H new ATOM 45 N GLU A 6 1.120 5.707 4.285 1.00 0.00 N ATOM 46 CA GLU A 6 -0.029 6.574 4.619 1.00 0.00 C ATOM 47 C GLU A 6 -1.186 6.369 3.635 1.00 0.00 C ATOM 48 O GLU A 6 -2.260 5.913 4.022 1.00 0.00 O ATOM 49 CB GLU A 6 0.477 8.016 4.518 1.00 0.00 C ATOM 50 CG GLU A 6 0.516 8.708 5.876 1.00 0.00 C ATOM 51 CD GLU A 6 1.529 9.858 5.871 1.00 0.00 C ATOM 52 OE1 GLU A 6 1.392 10.770 5.026 1.00 0.00 O ATOM 53 OE2 GLU A 6 2.494 9.764 6.669 1.00 0.00 O ATOM 0 H GLU A 6 1.958 6.236 4.045 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.405 6.338 5.614 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.476 8.019 4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.168 8.579 3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.474 9.091 6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.781 7.987 6.649 1.00 0.00 H new ATOM 55 N ARG A 7 -0.823 6.455 2.355 1.00 0.00 N ATOM 56 CA ARG A 7 -1.774 6.375 1.240 1.00 0.00 C ATOM 57 C ARG A 7 -2.381 4.989 1.045 1.00 0.00 C ATOM 58 O ARG A 7 -3.582 4.817 1.249 1.00 0.00 O ATOM 59 CB ARG A 7 -1.134 6.918 -0.041 1.00 0.00 C ATOM 60 CG ARG A 7 -1.108 8.437 0.003 1.00 0.00 C ATOM 61 CD ARG A 7 -0.860 9.023 -1.382 1.00 0.00 C ATOM 62 NE ARG A 7 -0.845 10.492 -1.260 1.00 0.00 N ATOM 63 CZ ARG A 7 -0.686 11.370 -2.242 1.00 0.00 C ATOM 64 NH1 ARG A 7 -0.810 11.032 -3.516 1.00 0.00 N ATOM 65 NH2 ARG A 7 -0.587 12.660 -1.971 1.00 0.00 N ATOM 0 H ARG A 7 0.144 6.583 2.058 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.622 7.009 1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.121 6.530 -0.145 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.696 6.579 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.055 8.809 0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.328 8.771 0.687 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.088 8.664 -1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.640 8.706 -2.075 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.970 10.874 -0.322 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.035 10.070 -3.769 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.681 11.734 -4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.633 12.983 -1.005 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.465 13.332 -2.728 1.00 0.00 H new ATOM 68 N LEU A 8 -1.494 4.004 0.927 1.00 0.00 N ATOM 69 CA LEU A 8 -1.846 2.577 0.762 1.00 0.00 C ATOM 70 C LEU A 8 -2.796 2.092 1.877 1.00 0.00 C ATOM 71 O LEU A 8 -3.891 1.595 1.606 1.00 0.00 O ATOM 72 CB LEU A 8 -0.504 1.820 0.792 1.00 0.00 C ATOM 73 CG LEU A 8 -0.638 0.307 0.660 1.00 0.00 C ATOM 74 CD1 LEU A 8 -0.757 -0.105 -0.805 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.606 -0.352 1.246 1.00 0.00 C ATOM 0 H LEU A 8 -0.487 4.168 0.942 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.384 2.403 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.127 2.190 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.008 2.048 1.727 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.536 -0.009 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.851 -1.189 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.638 0.364 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.133 0.216 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.520 -1.435 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.488 -0.012 0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.700 -0.081 2.298 1.00 0.00 H new ATOM 77 N LYS A 9 -2.422 2.415 3.115 1.00 0.00 N ATOM 78 CA LYS A 9 -3.196 2.029 4.314 1.00 0.00 C ATOM 79 C LYS A 9 -4.622 2.610 4.339 1.00 0.00 C ATOM 80 O LYS A 9 -5.593 1.873 4.471 1.00 0.00 O ATOM 81 CB LYS A 9 -2.410 2.447 5.550 1.00 0.00 C ATOM 82 CG LYS A 9 -2.936 1.690 6.762 1.00 0.00 C ATOM 83 CD LYS A 9 -2.135 2.046 8.004 1.00 0.00 C ATOM 84 CE LYS A 9 -2.696 1.232 9.172 1.00 0.00 C ATOM 85 NZ LYS A 9 -1.890 1.502 10.358 1.00 0.00 N ATOM 0 H LYS A 9 -1.579 2.949 3.324 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.331 0.948 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.350 2.238 5.408 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.505 3.521 5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.987 1.930 6.919 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.878 0.617 6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.079 1.822 7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.208 3.113 8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.737 1.499 9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.676 0.168 8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.260 0.955 11.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.903 1.227 10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.931 2.517 10.582 1.00 0.00 H new ATOM 90 N LYS A 10 -4.725 3.931 4.182 1.00 0.00 N ATOM 91 CA LYS A 10 -6.023 4.639 4.198 1.00 0.00 C ATOM 92 C LYS A 10 -6.919 4.329 2.987 1.00 0.00 C ATOM 93 O LYS A 10 -8.145 4.244 3.107 1.00 0.00 O ATOM 94 CB LYS A 10 -5.810 6.143 4.337 1.00 0.00 C ATOM 95 CG LYS A 10 -5.165 6.484 5.689 1.00 0.00 C ATOM 96 CD LYS A 10 -5.029 7.989 5.924 1.00 0.00 C ATOM 97 CE LYS A 10 -6.379 8.692 6.135 1.00 0.00 C ATOM 98 NZ LYS A 10 -7.020 8.207 7.359 1.00 0.00 N ATOM 0 H LYS A 10 -3.922 4.544 4.041 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.559 4.262 5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.175 6.501 3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.765 6.659 4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.763 6.049 6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.179 6.023 5.741 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.398 8.159 6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.521 8.439 5.071 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.229 9.770 6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.029 8.510 5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.790 8.853 7.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.408 7.256 7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.319 8.167 8.126 1.00 0.00 H new ATOM 103 N ARG A 11 -6.283 4.095 1.832 1.00 0.00 N ATOM 104 CA ARG A 11 -6.978 3.607 0.633 1.00 0.00 C ATOM 105 C ARG A 11 -7.631 2.225 0.794 1.00 0.00 C ATOM 106 O ARG A 11 -8.763 2.034 0.353 1.00 0.00 O ATOM 107 CB ARG A 11 -5.974 3.612 -0.534 1.00 0.00 C ATOM 108 CG ARG A 11 -6.602 3.350 -1.910 1.00 0.00 C ATOM 109 CD ARG A 11 -7.448 4.527 -2.405 1.00 0.00 C ATOM 110 NE ARG A 11 -8.041 4.153 -3.703 1.00 0.00 N ATOM 111 CZ ARG A 11 -9.287 4.407 -4.105 1.00 0.00 C ATOM 112 NH1 ARG A 11 -10.155 5.050 -3.347 1.00 0.00 N ATOM 113 NH2 ARG A 11 -9.661 4.035 -5.326 1.00 0.00 N ATOM 0 H ARG A 11 -5.281 4.237 1.702 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.813 4.280 0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.467 4.576 -0.557 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.212 2.856 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.812 3.146 -2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.224 2.457 -1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.230 4.763 -1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.832 5.420 -2.511 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.440 3.651 -4.357 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.881 5.371 -2.418 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.100 5.226 -3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.998 3.562 -5.941 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.611 4.222 -5.648 1.00 0.00 H new ATOM 116 N ARG A 12 -6.966 1.323 1.516 1.00 0.00 N ATOM 117 CA ARG A 12 -7.552 0.032 1.929 1.00 0.00 C ATOM 118 C ARG A 12 -8.871 0.173 2.710 1.00 0.00 C ATOM 119 O ARG A 12 -9.881 -0.437 2.378 1.00 0.00 O ATOM 120 CB ARG A 12 -6.562 -0.758 2.793 1.00 0.00 C ATOM 121 CG ARG A 12 -5.718 -1.709 1.950 1.00 0.00 C ATOM 122 CD ARG A 12 -4.918 -2.666 2.844 1.00 0.00 C ATOM 123 NE ARG A 12 -3.810 -1.998 3.545 1.00 0.00 N ATOM 124 CZ ARG A 12 -2.556 -1.873 3.100 1.00 0.00 C ATOM 125 NH1 ARG A 12 -2.197 -2.332 1.914 1.00 0.00 N ATOM 126 NH2 ARG A 12 -1.632 -1.265 3.838 1.00 0.00 N ATOM 0 H ARG A 12 -6.007 1.459 1.835 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.770 -0.497 1.001 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.910 -0.066 3.325 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.108 -1.325 3.547 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.363 -2.281 1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.036 -1.137 1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.587 -3.116 3.577 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.520 -3.478 2.235 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.019 -1.592 4.457 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.883 -2.793 1.317 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.234 -2.225 1.596 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.877 -0.888 4.754 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.678 -1.175 3.488 1.00 0.00 H new ATOM 129 N ILE A 13 -8.869 1.152 3.610 1.00 0.00 N ATOM 130 CA ILE A 13 -10.030 1.507 4.444 1.00 0.00 C ATOM 131 C ILE A 13 -11.172 2.057 3.569 1.00 0.00 C ATOM 132 O ILE A 13 -12.295 1.549 3.595 1.00 0.00 O ATOM 133 CB ILE A 13 -9.549 2.478 5.530 1.00 0.00 C ATOM 134 CG1 ILE A 13 -8.541 1.771 6.456 1.00 0.00 C ATOM 135 CG2 ILE A 13 -10.708 3.037 6.362 1.00 0.00 C ATOM 136 CD1 ILE A 13 -7.597 2.707 7.222 1.00 0.00 C ATOM 0 H ILE A 13 -8.051 1.735 3.789 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.450 0.633 4.942 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.069 3.317 5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.094 1.168 7.176 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.941 1.084 5.859 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.318 3.719 7.117 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.398 3.573 5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.234 2.217 6.851 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.926 2.116 7.846 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.012 3.293 6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.182 3.378 7.852 1.00 0.00 H new ATOM 138 N ALA A 14 -10.805 2.984 2.682 1.00 0.00 N ATOM 139 CA ALA A 14 -11.702 3.612 1.700 1.00 0.00 C ATOM 140 C ALA A 14 -12.408 2.626 0.747 1.00 0.00 C ATOM 141 O ALA A 14 -13.590 2.779 0.462 1.00 0.00 O ATOM 142 CB ALA A 14 -10.917 4.659 0.898 1.00 0.00 C ATOM 0 H ALA A 14 -9.848 3.331 2.622 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.505 4.077 2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.577 5.128 0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.527 5.419 1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.089 4.175 0.380 1.00 0.00 H new ATOM 144 N LEU A 15 -11.687 1.586 0.320 1.00 0.00 N ATOM 145 CA LEU A 15 -12.232 0.514 -0.545 1.00 0.00 C ATOM 146 C LEU A 15 -12.806 -0.703 0.199 1.00 0.00 C ATOM 147 O LEU A 15 -13.131 -1.709 -0.430 1.00 0.00 O ATOM 148 CB LEU A 15 -11.124 0.043 -1.506 1.00 0.00 C ATOM 149 CG LEU A 15 -10.942 0.970 -2.712 1.00 0.00 C ATOM 150 CD1 LEU A 15 -9.543 0.755 -3.301 1.00 0.00 C ATOM 151 CD2 LEU A 15 -12.023 0.740 -3.771 1.00 0.00 C ATOM 0 H LEU A 15 -10.704 1.455 0.560 1.00 0.00 H new ATOM 0 HA LEU A 15 -13.078 0.957 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.182 -0.024 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.360 -0.961 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.043 2.003 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.405 1.411 -4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.791 0.983 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.437 -0.283 -3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.860 1.416 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.976 -0.291 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.004 0.931 -3.337 1.00 0.00 H new ATOM 153 N LYS A 16 -12.948 -0.577 1.521 1.00 0.00 N ATOM 154 CA LYS A 16 -13.384 -1.671 2.432 1.00 0.00 C ATOM 155 C LYS A 16 -12.645 -2.994 2.133 1.00 0.00 C ATOM 156 O LYS A 16 -13.200 -4.089 2.115 1.00 0.00 O ATOM 157 CB LYS A 16 -14.909 -1.840 2.424 1.00 0.00 C ATOM 158 CG LYS A 16 -15.657 -0.677 3.089 1.00 0.00 C ATOM 159 CD LYS A 16 -16.015 0.418 2.085 1.00 0.00 C ATOM 160 CE LYS A 16 -16.458 1.711 2.763 1.00 0.00 C ATOM 161 NZ LYS A 16 -15.304 2.297 3.477 1.00 0.00 N ATOM 0 H LYS A 16 -12.763 0.299 2.010 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.106 -1.381 3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.250 -1.939 1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.167 -2.767 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -16.567 -1.051 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -15.040 -0.255 3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -15.152 0.621 1.451 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -16.813 0.062 1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -16.839 2.414 2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -17.271 1.511 3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.475 2.261 4.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.445 1.757 3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.179 3.286 3.182 1.00 0.00 H new ATOM 166 N MET A 17 -11.338 -2.818 1.999 1.00 0.00 N ATOM 167 CA MET A 17 -10.394 -3.868 1.579 1.00 0.00 C ATOM 168 C MET A 17 -9.365 -4.080 2.687 1.00 0.00 C ATOM 169 O MET A 17 -8.716 -3.141 3.165 1.00 0.00 O ATOM 170 CB MET A 17 -9.695 -3.383 0.299 1.00 0.00 C ATOM 171 CG MET A 17 -8.976 -4.505 -0.455 1.00 0.00 C ATOM 172 SD MET A 17 -7.989 -3.927 -1.887 1.00 0.00 S ATOM 173 CE MET A 17 -9.262 -3.319 -2.991 1.00 0.00 C ATOM 0 H MET A 17 -10.884 -1.923 2.182 1.00 0.00 H new ATOM 0 HA MET A 17 -10.910 -4.809 1.391 1.00 0.00 H new ATOM 0 HB2 MET A 17 -10.433 -2.926 -0.360 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.974 -2.607 0.557 1.00 0.00 H new ATOM 0 HG2 MET A 17 -8.319 -5.031 0.237 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.715 -5.226 -0.804 1.00 0.00 H new ATOM 0 HE1 MET A 17 -8.928 -3.422 -4.023 1.00 0.00 H new ATOM 0 HE2 MET A 17 -10.175 -3.896 -2.846 1.00 0.00 H new ATOM 0 HE3 MET A 17 -9.459 -2.269 -2.776 1.00 0.00 H new ATOM 175 N THR A 18 -9.230 -5.337 3.084 1.00 0.00 N ATOM 176 CA THR A 18 -8.231 -5.755 4.089 1.00 0.00 C ATOM 177 C THR A 18 -6.950 -6.148 3.344 1.00 0.00 C ATOM 178 O THR A 18 -6.970 -6.524 2.174 1.00 0.00 O ATOM 179 CB THR A 18 -8.692 -6.933 4.950 1.00 0.00 C ATOM 180 OG1 THR A 18 -8.914 -8.070 4.114 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.933 -6.588 5.789 1.00 0.00 C ATOM 0 H THR A 18 -9.802 -6.103 2.727 1.00 0.00 H new ATOM 0 HA THR A 18 -8.071 -4.918 4.769 1.00 0.00 H new ATOM 0 HB THR A 18 -7.905 -7.169 5.666 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.208 -8.827 4.663 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.223 -7.455 6.383 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.704 -5.754 6.452 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.754 -6.311 5.128 1.00 0.00 H new ATOM 184 N GLN A 19 -5.830 -6.171 4.069 1.00 0.00 N ATOM 185 CA GLN A 19 -4.538 -6.476 3.426 1.00 0.00 C ATOM 186 C GLN A 19 -4.460 -7.887 2.836 1.00 0.00 C ATOM 187 O GLN A 19 -3.967 -8.072 1.734 1.00 0.00 O ATOM 188 CB GLN A 19 -3.378 -6.271 4.386 1.00 0.00 C ATOM 189 CG GLN A 19 -2.350 -5.409 3.656 1.00 0.00 C ATOM 190 CD GLN A 19 -1.109 -5.088 4.486 1.00 0.00 C ATOM 191 OE1 GLN A 19 -0.647 -3.854 4.367 1.00 0.00 O flip ATOM 192 NE2 GLN A 19 -0.610 -5.882 5.267 1.00 0.00 N flip ATOM 0 H GLN A 19 -5.783 -5.989 5.072 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.463 -5.772 2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.714 -5.781 5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.944 -7.227 4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.043 -5.921 2.744 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.823 -4.475 3.353 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.984 -6.828 5.341 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.181 -5.599 5.846 1.00 0.00 H new ATOM 194 N THR A 20 -5.005 -8.854 3.581 1.00 0.00 N ATOM 195 CA THR A 20 -5.192 -10.247 3.103 1.00 0.00 C ATOM 196 C THR A 20 -5.962 -10.380 1.770 1.00 0.00 C ATOM 197 O THR A 20 -5.475 -11.021 0.856 1.00 0.00 O ATOM 198 CB THR A 20 -5.788 -11.157 4.203 1.00 0.00 C ATOM 199 OG1 THR A 20 -6.089 -12.452 3.660 1.00 0.00 O ATOM 200 CG2 THR A 20 -7.037 -10.588 4.875 1.00 0.00 C ATOM 0 H THR A 20 -5.333 -8.703 4.535 1.00 0.00 H new ATOM 0 HA THR A 20 -4.185 -10.598 2.877 1.00 0.00 H new ATOM 0 HB THR A 20 -5.023 -11.227 4.977 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.464 -13.022 4.363 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.392 -11.286 5.633 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.795 -9.634 5.344 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.816 -10.437 4.127 1.00 0.00 H new ATOM 203 N GLU A 21 -6.937 -9.482 1.607 1.00 0.00 N ATOM 204 CA GLU A 21 -7.784 -9.411 0.393 1.00 0.00 C ATOM 205 C GLU A 21 -6.945 -8.933 -0.805 1.00 0.00 C ATOM 206 O GLU A 21 -6.920 -9.558 -1.866 1.00 0.00 O ATOM 207 CB GLU A 21 -8.876 -8.377 0.669 1.00 0.00 C ATOM 208 CG GLU A 21 -10.266 -8.806 0.200 1.00 0.00 C ATOM 209 CD GLU A 21 -11.294 -7.755 0.633 1.00 0.00 C ATOM 210 OE1 GLU A 21 -11.372 -7.492 1.853 1.00 0.00 O ATOM 211 OE2 GLU A 21 -11.915 -7.176 -0.279 1.00 0.00 O ATOM 0 H GLU A 21 -7.169 -8.779 2.308 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.204 -10.390 0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.910 -8.176 1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.610 -7.441 0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.278 -8.918 -0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.522 -9.777 0.624 1.00 0.00 H new ATOM 213 N LEU A 22 -6.130 -7.928 -0.514 1.00 0.00 N ATOM 214 CA LEU A 22 -5.168 -7.314 -1.440 1.00 0.00 C ATOM 215 C LEU A 22 -4.045 -8.304 -1.824 1.00 0.00 C ATOM 216 O LEU A 22 -3.815 -8.515 -3.011 1.00 0.00 O ATOM 217 CB LEU A 22 -4.668 -6.068 -0.707 1.00 0.00 C ATOM 218 CG LEU A 22 -3.547 -5.319 -1.416 1.00 0.00 C ATOM 219 CD1 LEU A 22 -4.012 -4.719 -2.745 1.00 0.00 C ATOM 220 CD2 LEU A 22 -3.061 -4.194 -0.520 1.00 0.00 C ATOM 0 H LEU A 22 -6.115 -7.495 0.410 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.612 -7.043 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.507 -5.387 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.321 -6.361 0.284 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.748 -6.031 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.182 -4.194 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.358 -5.516 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.827 -4.019 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.258 -3.652 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.885 -3.512 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.690 -4.609 0.417 1.00 0.00 H new ATOM 222 N ALA A 23 -3.438 -8.945 -0.831 1.00 0.00 N ATOM 223 CA ALA A 23 -2.426 -9.991 -1.007 1.00 0.00 C ATOM 224 C ALA A 23 -2.824 -11.136 -1.953 1.00 0.00 C ATOM 225 O ALA A 23 -2.089 -11.441 -2.894 1.00 0.00 O ATOM 226 CB ALA A 23 -2.033 -10.529 0.373 1.00 0.00 C ATOM 0 H ALA A 23 -3.640 -8.748 0.149 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.577 -9.522 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.280 -11.309 0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.627 -9.718 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.912 -10.943 0.866 1.00 0.00 H new ATOM 228 N THR A 24 -4.029 -11.647 -1.749 1.00 0.00 N ATOM 229 CA THR A 24 -4.678 -12.664 -2.612 1.00 0.00 C ATOM 230 C THR A 24 -4.772 -12.181 -4.071 1.00 0.00 C ATOM 231 O THR A 24 -4.191 -12.793 -4.969 1.00 0.00 O ATOM 232 CB THR A 24 -6.035 -12.985 -1.965 1.00 0.00 C ATOM 233 OG1 THR A 24 -5.794 -13.670 -0.740 1.00 0.00 O ATOM 234 CG2 THR A 24 -6.982 -13.804 -2.847 1.00 0.00 C ATOM 0 H THR A 24 -4.612 -11.368 -0.960 1.00 0.00 H new ATOM 0 HA THR A 24 -4.091 -13.580 -2.676 1.00 0.00 H new ATOM 0 HB THR A 24 -6.545 -12.035 -1.804 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.650 -13.017 -0.023 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.914 -13.984 -2.311 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.191 -13.254 -3.765 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.516 -14.758 -3.094 1.00 0.00 H new ATOM 237 N LYS A 25 -5.391 -11.017 -4.239 1.00 0.00 N ATOM 238 CA LYS A 25 -5.614 -10.379 -5.555 1.00 0.00 C ATOM 239 C LYS A 25 -4.320 -9.992 -6.282 1.00 0.00 C ATOM 240 O LYS A 25 -4.158 -10.265 -7.475 1.00 0.00 O ATOM 241 CB LYS A 25 -6.516 -9.157 -5.392 1.00 0.00 C ATOM 242 CG LYS A 25 -7.987 -9.552 -5.229 1.00 0.00 C ATOM 243 CD LYS A 25 -8.918 -8.340 -5.318 1.00 0.00 C ATOM 244 CE LYS A 25 -8.874 -7.448 -4.073 1.00 0.00 C ATOM 245 NZ LYS A 25 -9.687 -6.249 -4.344 1.00 0.00 N ATOM 0 H LYS A 25 -5.762 -10.473 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.100 -11.126 -6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.196 -8.582 -4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.408 -8.508 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.256 -10.274 -6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.126 -10.046 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.647 -7.746 -6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.940 -8.686 -5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.262 -7.984 -3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.847 -7.168 -3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.178 -5.959 -3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.070 -5.477 -4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.388 -6.464 -5.082 1.00 0.00 H new ATOM 250 N ALA A 26 -3.429 -9.335 -5.555 1.00 0.00 N ATOM 251 CA ALA A 26 -2.087 -8.951 -6.028 1.00 0.00 C ATOM 252 C ALA A 26 -1.165 -10.152 -6.338 1.00 0.00 C ATOM 253 O ALA A 26 -0.194 -10.013 -7.078 1.00 0.00 O ATOM 254 CB ALA A 26 -1.396 -8.041 -5.014 1.00 0.00 C ATOM 0 H ALA A 26 -3.613 -9.042 -4.595 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.253 -8.422 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.407 -7.770 -5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.990 -7.138 -4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.297 -8.565 -4.063 1.00 0.00 H new ATOM 256 N GLY A 27 -1.449 -11.307 -5.716 1.00 0.00 N ATOM 257 CA GLY A 27 -0.636 -12.540 -5.838 1.00 0.00 C ATOM 258 C GLY A 27 0.626 -12.559 -4.941 1.00 0.00 C ATOM 259 O GLY A 27 1.370 -13.530 -4.945 1.00 0.00 O ATOM 0 H GLY A 27 -2.258 -11.418 -5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.259 -13.399 -5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.331 -12.659 -6.878 1.00 0.00 H new ATOM 261 N VAL A 28 0.767 -11.532 -4.103 1.00 0.00 N ATOM 262 CA VAL A 28 1.916 -11.370 -3.193 1.00 0.00 C ATOM 263 C VAL A 28 1.503 -11.564 -1.735 1.00 0.00 C ATOM 264 O VAL A 28 0.413 -11.201 -1.325 1.00 0.00 O ATOM 265 CB VAL A 28 2.608 -10.010 -3.350 1.00 0.00 C ATOM 266 CG1 VAL A 28 3.376 -9.969 -4.673 1.00 0.00 C ATOM 267 CG2 VAL A 28 1.711 -8.787 -3.174 1.00 0.00 C ATOM 0 H VAL A 28 0.084 -10.778 -4.031 1.00 0.00 H new ATOM 0 HA VAL A 28 2.630 -12.145 -3.473 1.00 0.00 H new ATOM 0 HB VAL A 28 3.302 -9.934 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.866 -9.001 -4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.127 -10.759 -4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.683 -10.118 -5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.302 -7.881 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.913 -8.811 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.277 -8.795 -2.174 1.00 0.00 H new ATOM 269 N LYS A 29 2.437 -12.083 -0.940 1.00 0.00 N ATOM 270 CA LYS A 29 2.239 -12.285 0.504 1.00 0.00 C ATOM 271 C LYS A 29 1.792 -11.015 1.252 1.00 0.00 C ATOM 272 O LYS A 29 2.311 -9.923 1.082 1.00 0.00 O ATOM 273 CB LYS A 29 3.577 -12.758 1.051 1.00 0.00 C ATOM 274 CG LYS A 29 3.446 -13.357 2.460 1.00 0.00 C ATOM 275 CD LYS A 29 4.807 -13.790 3.005 1.00 0.00 C ATOM 276 CE LYS A 29 5.513 -14.825 2.105 1.00 0.00 C ATOM 277 NZ LYS A 29 4.603 -15.964 1.922 1.00 0.00 N ATOM 0 H LYS A 29 3.355 -12.377 -1.274 1.00 0.00 H new ATOM 0 HA LYS A 29 1.436 -13.007 0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.000 -13.504 0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.274 -11.920 1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.000 -12.622 3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.773 -14.214 2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.446 -12.913 3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.676 -14.212 4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.767 -14.382 1.142 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.447 -15.153 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.136 -16.779 1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.170 -16.213 2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.857 -15.707 1.244 1.00 0.00 H new ATOM 282 N GLN A 30 0.960 -11.265 2.260 1.00 0.00 N ATOM 283 CA GLN A 30 0.445 -10.210 3.143 1.00 0.00 C ATOM 284 C GLN A 30 1.559 -9.441 3.884 1.00 0.00 C ATOM 285 O GLN A 30 1.569 -8.209 3.844 1.00 0.00 O ATOM 286 CB GLN A 30 -0.572 -10.844 4.089 1.00 0.00 C ATOM 287 CG GLN A 30 -1.542 -9.786 4.613 1.00 0.00 C ATOM 288 CD GLN A 30 -1.396 -9.645 6.128 1.00 0.00 C ATOM 289 OE1 GLN A 30 -1.104 -8.450 6.585 1.00 0.00 O flip ATOM 290 NE2 GLN A 30 -1.554 -10.581 6.894 1.00 0.00 N flip ATOM 0 H GLN A 30 0.622 -12.199 2.491 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.045 -9.444 2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.124 -11.627 3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.056 -11.319 4.923 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.344 -8.829 4.130 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.566 -10.064 4.363 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.781 -11.506 6.529 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.459 -10.439 7.900 1.00 0.00 H new ATOM 292 N GLN A 31 2.549 -10.172 4.392 1.00 0.00 N ATOM 293 CA GLN A 31 3.785 -9.622 4.998 1.00 0.00 C ATOM 294 C GLN A 31 4.556 -8.620 4.109 1.00 0.00 C ATOM 295 O GLN A 31 4.954 -7.551 4.576 1.00 0.00 O ATOM 296 CB GLN A 31 4.708 -10.768 5.430 1.00 0.00 C ATOM 297 CG GLN A 31 4.262 -11.454 6.734 1.00 0.00 C ATOM 298 CD GLN A 31 2.814 -11.953 6.719 1.00 0.00 C ATOM 299 OE1 GLN A 31 2.377 -12.702 5.852 1.00 0.00 O ATOM 300 NE2 GLN A 31 1.979 -11.326 7.521 1.00 0.00 N ATOM 0 H GLN A 31 2.524 -11.192 4.399 1.00 0.00 H new ATOM 0 HA GLN A 31 3.457 -9.044 5.862 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.750 -11.511 4.633 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.719 -10.381 5.559 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.923 -12.298 6.932 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.384 -10.753 7.560 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.338 -10.702 8.244 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.974 -11.464 7.420 1.00 0.00 H new ATOM 302 N SER A 32 4.625 -8.926 2.815 1.00 0.00 N ATOM 303 CA SER A 32 5.240 -8.061 1.778 1.00 0.00 C ATOM 304 C SER A 32 4.582 -6.674 1.724 1.00 0.00 C ATOM 305 O SER A 32 5.262 -5.653 1.662 1.00 0.00 O ATOM 306 CB SER A 32 5.025 -8.750 0.426 1.00 0.00 C ATOM 307 OG SER A 32 5.435 -10.123 0.491 1.00 0.00 O ATOM 0 H SER A 32 4.251 -9.797 2.438 1.00 0.00 H new ATOM 0 HA SER A 32 6.295 -7.922 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.974 -8.691 0.144 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.592 -8.231 -0.347 1.00 0.00 H new ATOM 0 HG SER A 32 5.290 -10.549 -0.379 1.00 0.00 H new ATOM 310 N ILE A 33 3.259 -6.668 1.797 1.00 0.00 N ATOM 311 CA ILE A 33 2.452 -5.425 1.804 1.00 0.00 C ATOM 312 C ILE A 33 2.570 -4.698 3.160 1.00 0.00 C ATOM 313 O ILE A 33 2.683 -3.474 3.195 1.00 0.00 O ATOM 314 CB ILE A 33 0.991 -5.679 1.409 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.916 -6.540 0.140 1.00 0.00 C ATOM 316 CG2 ILE A 33 0.306 -4.316 1.152 1.00 0.00 C ATOM 317 CD1 ILE A 33 -0.478 -7.085 -0.140 1.00 0.00 C ATOM 0 H ILE A 33 2.700 -7.519 1.854 1.00 0.00 H new ATOM 0 HA ILE A 33 2.862 -4.765 1.040 1.00 0.00 H new ATOM 0 HB ILE A 33 0.486 -6.212 2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.244 -5.946 -0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.612 -7.374 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.734 -4.479 0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.346 -3.712 2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.823 -3.795 0.346 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.458 -7.684 -1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.801 -7.706 0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.174 -6.256 -0.266 1.00 0.00 H new ATOM 319 N GLN A 34 2.639 -5.464 4.264 1.00 0.00 N ATOM 320 CA GLN A 34 2.872 -4.886 5.614 1.00 0.00 C ATOM 321 C GLN A 34 4.176 -4.069 5.675 1.00 0.00 C ATOM 322 O GLN A 34 4.178 -2.993 6.243 1.00 0.00 O ATOM 323 CB GLN A 34 2.970 -5.884 6.768 1.00 0.00 C ATOM 324 CG GLN A 34 1.821 -6.870 6.767 1.00 0.00 C ATOM 325 CD GLN A 34 1.339 -7.196 8.187 1.00 0.00 C ATOM 326 OE1 GLN A 34 1.589 -8.263 8.724 1.00 0.00 O ATOM 327 NE2 GLN A 34 0.526 -6.326 8.735 1.00 0.00 N ATOM 0 H GLN A 34 2.538 -6.479 4.256 1.00 0.00 H new ATOM 0 HA GLN A 34 1.977 -4.279 5.749 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.913 -6.427 6.698 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.982 -5.343 7.714 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.993 -6.460 6.189 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.133 -7.789 6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.334 -5.441 8.265 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.086 -6.534 9.631 1.00 0.00 H new ATOM 329 N LEU A 35 5.227 -4.584 5.054 1.00 0.00 N ATOM 330 CA LEU A 35 6.511 -3.856 4.930 1.00 0.00 C ATOM 331 C LEU A 35 6.431 -2.453 4.307 1.00 0.00 C ATOM 332 O LEU A 35 7.189 -1.563 4.700 1.00 0.00 O ATOM 333 CB LEU A 35 7.508 -4.758 4.214 1.00 0.00 C ATOM 334 CG LEU A 35 8.087 -5.773 5.201 1.00 0.00 C ATOM 335 CD1 LEU A 35 8.815 -6.874 4.422 1.00 0.00 C ATOM 336 CD2 LEU A 35 9.026 -5.129 6.223 1.00 0.00 C ATOM 0 H LEU A 35 5.229 -5.508 4.621 1.00 0.00 H new ATOM 0 HA LEU A 35 6.849 -3.637 5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.017 -5.277 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.309 -4.159 3.781 1.00 0.00 H new ATOM 0 HG LEU A 35 7.259 -6.200 5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.230 -7.601 5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.112 -7.373 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.621 -6.433 3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.408 -5.894 6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.859 -4.655 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.481 -4.379 6.796 1.00 0.00 H new ATOM 338 N ILE A 36 5.457 -2.236 3.433 1.00 0.00 N ATOM 339 CA ILE A 36 5.188 -0.901 2.843 1.00 0.00 C ATOM 340 C ILE A 36 4.413 -0.059 3.882 1.00 0.00 C ATOM 341 O ILE A 36 4.815 1.044 4.239 1.00 0.00 O ATOM 342 CB ILE A 36 4.339 -0.975 1.573 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.813 -2.089 0.634 1.00 0.00 C ATOM 344 CG2 ILE A 36 4.335 0.403 0.875 1.00 0.00 C ATOM 345 CD1 ILE A 36 3.760 -2.438 -0.422 1.00 0.00 C ATOM 0 H ILE A 36 4.826 -2.967 3.105 1.00 0.00 H new ATOM 0 HA ILE A 36 6.149 -0.458 2.580 1.00 0.00 H new ATOM 0 HB ILE A 36 3.316 -1.228 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.733 -1.779 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.049 -2.979 1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.730 0.351 -0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.916 1.151 1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.356 0.681 0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.139 -3.232 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.848 -2.775 0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.542 -1.556 -1.024 1.00 0.00 H new ATOM 347 N GLU A 37 3.313 -0.649 4.354 1.00 0.00 N ATOM 348 CA GLU A 37 2.428 -0.129 5.419 1.00 0.00 C ATOM 349 C GLU A 37 3.209 0.362 6.667 1.00 0.00 C ATOM 350 O GLU A 37 2.936 1.434 7.190 1.00 0.00 O ATOM 351 CB GLU A 37 1.462 -1.260 5.776 1.00 0.00 C ATOM 352 CG GLU A 37 0.441 -0.887 6.851 1.00 0.00 C ATOM 353 CD GLU A 37 -0.402 -2.087 7.302 1.00 0.00 C ATOM 354 OE1 GLU A 37 0.204 -3.144 7.611 1.00 0.00 O ATOM 355 OE2 GLU A 37 -1.633 -1.927 7.304 1.00 0.00 O ATOM 0 H GLU A 37 2.992 -1.547 3.992 1.00 0.00 H new ATOM 0 HA GLU A 37 1.894 0.750 5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.931 -1.568 4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.037 -2.121 6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.962 -0.469 7.712 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.218 -0.108 6.467 1.00 0.00 H new ATOM 357 N ALA A 38 4.163 -0.459 7.098 1.00 0.00 N ATOM 358 CA ALA A 38 5.080 -0.188 8.220 1.00 0.00 C ATOM 359 C ALA A 38 6.165 0.878 7.911 1.00 0.00 C ATOM 360 O ALA A 38 6.890 1.290 8.806 1.00 0.00 O ATOM 361 CB ALA A 38 5.722 -1.525 8.609 1.00 0.00 C ATOM 0 H ALA A 38 4.331 -1.367 6.665 1.00 0.00 H new ATOM 0 HA ALA A 38 4.504 0.241 9.040 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.411 -1.370 9.439 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.945 -2.228 8.909 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.267 -1.929 7.756 1.00 0.00 H new ATOM 363 N GLY A 39 6.188 1.345 6.663 1.00 0.00 N ATOM 364 CA GLY A 39 7.139 2.347 6.142 1.00 0.00 C ATOM 365 C GLY A 39 8.589 1.863 6.031 1.00 0.00 C ATOM 366 O GLY A 39 9.509 2.680 6.079 1.00 0.00 O ATOM 0 H GLY A 39 5.524 1.030 5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.802 2.669 5.157 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.112 3.223 6.790 1.00 0.00 H new ATOM 368 N VAL A 40 8.785 0.597 5.659 1.00 0.00 N ATOM 369 CA VAL A 40 10.131 -0.014 5.626 1.00 0.00 C ATOM 370 C VAL A 40 10.615 -0.113 4.174 1.00 0.00 C ATOM 371 O VAL A 40 11.645 0.438 3.795 1.00 0.00 O ATOM 372 CB VAL A 40 10.151 -1.366 6.375 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.533 -2.045 6.317 1.00 0.00 C ATOM 374 CG2 VAL A 40 9.763 -1.201 7.843 1.00 0.00 C ATOM 0 H VAL A 40 8.034 -0.032 5.375 1.00 0.00 H new ATOM 0 HA VAL A 40 10.836 0.624 6.159 1.00 0.00 H new ATOM 0 HB VAL A 40 9.420 -1.995 5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.497 -2.991 6.857 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.804 -2.231 5.278 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.278 -1.394 6.775 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.788 -2.172 8.337 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.466 -0.527 8.332 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.757 -0.786 7.909 1.00 0.00 H new ATOM 376 N THR A 41 9.873 -0.897 3.391 1.00 0.00 N ATOM 377 CA THR A 41 10.126 -1.092 1.948 1.00 0.00 C ATOM 378 C THR A 41 9.702 0.168 1.190 1.00 0.00 C ATOM 379 O THR A 41 8.545 0.338 0.805 1.00 0.00 O ATOM 380 CB THR A 41 9.360 -2.303 1.434 1.00 0.00 C ATOM 381 OG1 THR A 41 9.532 -3.402 2.332 1.00 0.00 O ATOM 382 CG2 THR A 41 9.865 -2.742 0.048 1.00 0.00 C ATOM 0 H THR A 41 9.070 -1.423 3.736 1.00 0.00 H new ATOM 0 HA THR A 41 11.189 -1.271 1.788 1.00 0.00 H new ATOM 0 HB THR A 41 8.310 -2.018 1.362 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.323 -4.239 1.868 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.296 -3.609 -0.289 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.736 -1.925 -0.662 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.921 -3.003 0.112 1.00 0.00 H new ATOM 385 N LYS A 42 10.671 1.071 1.081 1.00 0.00 N ATOM 386 CA LYS A 42 10.543 2.300 0.271 1.00 0.00 C ATOM 387 C LYS A 42 10.240 2.066 -1.220 1.00 0.00 C ATOM 388 O LYS A 42 9.635 2.913 -1.879 1.00 0.00 O ATOM 389 CB LYS A 42 11.754 3.212 0.479 1.00 0.00 C ATOM 390 CG LYS A 42 13.108 2.547 0.243 1.00 0.00 C ATOM 391 CD LYS A 42 14.225 3.506 0.638 1.00 0.00 C ATOM 392 CE LYS A 42 15.615 2.888 0.486 1.00 0.00 C ATOM 393 NZ LYS A 42 15.838 1.862 1.520 1.00 0.00 N ATOM 0 H LYS A 42 11.573 0.981 1.549 1.00 0.00 H new ATOM 0 HA LYS A 42 9.653 2.807 0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.665 4.068 -0.190 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.728 3.599 1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.180 1.629 0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.209 2.267 -0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.162 4.404 0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.082 3.818 1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.716 2.443 -0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.376 3.665 0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.829 1.549 1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.630 2.262 2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.213 1.050 1.344 1.00 0.00 H new ATOM 398 N ARG A 43 10.713 0.944 -1.758 1.00 0.00 N ATOM 399 CA ARG A 43 10.343 0.536 -3.122 1.00 0.00 C ATOM 400 C ARG A 43 9.758 -0.893 -3.217 1.00 0.00 C ATOM 401 O ARG A 43 10.499 -1.885 -3.270 1.00 0.00 O ATOM 402 CB ARG A 43 11.472 0.778 -4.133 1.00 0.00 C ATOM 403 CG ARG A 43 12.785 0.150 -3.693 1.00 0.00 C ATOM 404 CD ARG A 43 13.726 0.062 -4.884 1.00 0.00 C ATOM 405 NE ARG A 43 14.950 -0.597 -4.415 1.00 0.00 N ATOM 406 CZ ARG A 43 15.406 -1.782 -4.822 1.00 0.00 C ATOM 407 NH1 ARG A 43 14.718 -2.559 -5.645 1.00 0.00 N ATOM 408 NH2 ARG A 43 16.644 -2.154 -4.518 1.00 0.00 N ATOM 0 H ARG A 43 11.347 0.303 -1.281 1.00 0.00 H new ATOM 0 HA ARG A 43 9.521 1.195 -3.401 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.183 0.370 -5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.612 1.850 -4.268 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.238 0.745 -2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.606 -0.844 -3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.269 -0.505 -5.695 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.948 1.055 -5.274 1.00 0.00 H new ATOM 0 HE ARG A 43 15.502 -0.104 -3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.807 -2.257 -5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.100 -3.460 -5.935 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.244 -1.534 -3.974 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.995 -3.060 -4.828 1.00 0.00 H new ATOM 411 N PRO A 44 8.427 -1.007 -3.147 1.00 0.00 N ATOM 412 CA PRO A 44 7.720 -2.251 -3.500 1.00 0.00 C ATOM 413 C PRO A 44 7.926 -2.619 -4.975 1.00 0.00 C ATOM 414 O PRO A 44 7.442 -1.941 -5.880 1.00 0.00 O ATOM 415 CB PRO A 44 6.255 -1.979 -3.176 1.00 0.00 C ATOM 416 CG PRO A 44 6.143 -0.466 -3.077 1.00 0.00 C ATOM 417 CD PRO A 44 7.496 -0.065 -2.500 1.00 0.00 C ATOM 0 HA PRO A 44 8.099 -3.107 -2.943 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.600 -2.372 -3.954 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.963 -2.458 -2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.967 -0.009 -4.051 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.321 -0.163 -2.429 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.743 0.971 -2.734 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.516 -0.160 -1.414 1.00 0.00 H new ATOM 418 N ARG A 45 8.764 -3.637 -5.166 1.00 0.00 N ATOM 419 CA ARG A 45 8.916 -4.307 -6.478 1.00 0.00 C ATOM 420 C ARG A 45 7.552 -4.742 -7.052 1.00 0.00 C ATOM 421 O ARG A 45 7.191 -4.391 -8.173 1.00 0.00 O ATOM 422 CB ARG A 45 9.839 -5.524 -6.284 1.00 0.00 C ATOM 423 CG ARG A 45 10.215 -6.180 -7.609 1.00 0.00 C ATOM 424 CD ARG A 45 11.023 -7.457 -7.399 1.00 0.00 C ATOM 425 NE ARG A 45 11.168 -8.128 -8.700 1.00 0.00 N ATOM 426 CZ ARG A 45 11.450 -9.424 -8.900 1.00 0.00 C ATOM 427 NH1 ARG A 45 11.696 -10.258 -7.891 1.00 0.00 N ATOM 428 NH2 ARG A 45 11.375 -9.950 -10.111 1.00 0.00 N ATOM 0 H ARG A 45 9.355 -4.025 -4.431 1.00 0.00 H new ATOM 0 HA ARG A 45 9.351 -3.611 -7.196 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.745 -5.211 -5.765 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.343 -6.256 -5.646 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.310 -6.411 -8.170 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.793 -5.479 -8.211 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.002 -7.223 -6.981 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.521 -8.112 -6.687 1.00 0.00 H new ATOM 0 HE ARG A 45 11.042 -7.551 -9.532 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.673 -9.917 -6.930 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.907 -11.238 -8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.101 -9.369 -10.903 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.591 -10.937 -10.253 1.00 0.00 H new ATOM 431 N PHE A 46 6.756 -5.379 -6.201 1.00 0.00 N ATOM 432 CA PHE A 46 5.340 -5.746 -6.461 1.00 0.00 C ATOM 433 C PHE A 46 4.318 -4.589 -6.475 1.00 0.00 C ATOM 434 O PHE A 46 3.110 -4.836 -6.402 1.00 0.00 O ATOM 435 CB PHE A 46 4.911 -6.853 -5.487 1.00 0.00 C ATOM 436 CG PHE A 46 5.492 -6.742 -4.069 1.00 0.00 C ATOM 437 CD1 PHE A 46 4.999 -5.748 -3.191 1.00 0.00 C ATOM 438 CD2 PHE A 46 6.618 -7.521 -3.697 1.00 0.00 C ATOM 439 CE1 PHE A 46 5.637 -5.501 -1.958 1.00 0.00 C ATOM 440 CE2 PHE A 46 7.264 -7.277 -2.467 1.00 0.00 C ATOM 441 CZ PHE A 46 6.767 -6.267 -1.614 1.00 0.00 C ATOM 0 H PHE A 46 7.074 -5.670 -5.277 1.00 0.00 H new ATOM 0 HA PHE A 46 5.325 -6.101 -7.491 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.823 -6.851 -5.417 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.202 -7.816 -5.907 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.127 -5.174 -3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.979 -8.299 -4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.266 -4.738 -1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.129 -7.856 -2.181 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.266 -6.078 -0.675 1.00 0.00 H new ATOM 443 N LEU A 47 4.766 -3.374 -6.796 1.00 0.00 N ATOM 444 CA LEU A 47 3.887 -2.180 -6.880 1.00 0.00 C ATOM 445 C LEU A 47 2.739 -2.302 -7.885 1.00 0.00 C ATOM 446 O LEU A 47 1.590 -2.055 -7.528 1.00 0.00 O ATOM 447 CB LEU A 47 4.704 -0.881 -7.096 1.00 0.00 C ATOM 448 CG LEU A 47 5.259 -0.609 -8.513 1.00 0.00 C ATOM 449 CD1 LEU A 47 5.741 0.836 -8.621 1.00 0.00 C ATOM 450 CD2 LEU A 47 6.394 -1.546 -8.913 1.00 0.00 C ATOM 0 H LEU A 47 5.745 -3.178 -7.007 1.00 0.00 H new ATOM 0 HA LEU A 47 3.401 -2.120 -5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.073 -0.037 -6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.545 -0.895 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 47 4.433 -0.793 -9.201 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.130 1.016 -9.623 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.909 1.513 -8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.529 1.012 -7.889 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.734 -1.297 -9.918 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.222 -1.435 -8.212 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.039 -2.576 -8.895 1.00 0.00 H new ATOM 452 N PHE A 48 3.022 -2.935 -9.026 1.00 0.00 N ATOM 453 CA PHE A 48 2.065 -3.145 -10.128 1.00 0.00 C ATOM 454 C PHE A 48 0.876 -4.022 -9.670 1.00 0.00 C ATOM 455 O PHE A 48 -0.264 -3.563 -9.634 1.00 0.00 O ATOM 456 CB PHE A 48 2.830 -3.812 -11.268 1.00 0.00 C ATOM 457 CG PHE A 48 2.036 -3.904 -12.582 1.00 0.00 C ATOM 458 CD1 PHE A 48 1.726 -2.731 -13.317 1.00 0.00 C ATOM 459 CD2 PHE A 48 1.720 -5.190 -13.081 1.00 0.00 C ATOM 460 CE1 PHE A 48 1.111 -2.848 -14.578 1.00 0.00 C ATOM 461 CE2 PHE A 48 1.105 -5.307 -14.342 1.00 0.00 C ATOM 462 CZ PHE A 48 0.804 -4.137 -15.080 1.00 0.00 C ATOM 0 H PHE A 48 3.944 -3.327 -9.219 1.00 0.00 H new ATOM 0 HA PHE A 48 1.644 -2.194 -10.455 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.750 -3.256 -11.449 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.120 -4.816 -10.959 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.960 -1.757 -12.913 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.948 -6.072 -12.501 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.876 -1.966 -15.156 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.865 -6.281 -14.743 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.330 -4.229 -16.046 1.00 0.00 H new ATOM 464 N GLU A 49 1.258 -5.169 -9.097 1.00 0.00 N ATOM 465 CA GLU A 49 0.342 -6.148 -8.470 1.00 0.00 C ATOM 466 C GLU A 49 -0.577 -5.511 -7.421 1.00 0.00 C ATOM 467 O GLU A 49 -1.791 -5.500 -7.601 1.00 0.00 O ATOM 468 CB GLU A 49 1.181 -7.287 -7.878 1.00 0.00 C ATOM 469 CG GLU A 49 1.801 -8.217 -8.926 1.00 0.00 C ATOM 470 CD GLU A 49 3.257 -7.898 -9.302 1.00 0.00 C ATOM 471 OE1 GLU A 49 3.637 -6.700 -9.276 1.00 0.00 O ATOM 472 OE2 GLU A 49 3.980 -8.860 -9.643 1.00 0.00 O ATOM 0 H GLU A 49 2.236 -5.456 -9.052 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.328 -6.543 -9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.978 -6.859 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.553 -7.877 -7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.754 -9.240 -8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.192 -8.178 -9.829 1.00 0.00 H new ATOM 474 N ILE A 50 0.025 -4.797 -6.470 1.00 0.00 N ATOM 475 CA ILE A 50 -0.740 -4.139 -5.383 1.00 0.00 C ATOM 476 C ILE A 50 -1.643 -3.021 -5.920 1.00 0.00 C ATOM 477 O ILE A 50 -2.837 -3.026 -5.634 1.00 0.00 O ATOM 478 CB ILE A 50 0.171 -3.624 -4.260 1.00 0.00 C ATOM 479 CG1 ILE A 50 1.053 -4.763 -3.733 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.672 -3.030 -3.118 1.00 0.00 C ATOM 481 CD1 ILE A 50 2.183 -4.210 -2.870 1.00 0.00 C ATOM 0 H ILE A 50 1.034 -4.653 -6.420 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.383 -4.905 -4.949 1.00 0.00 H new ATOM 0 HB ILE A 50 0.813 -2.840 -4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.449 -5.458 -3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.468 -5.326 -4.569 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.013 -2.669 -2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.269 -2.202 -3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.332 -3.798 -2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.798 -5.033 -2.505 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.797 -3.534 -3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.762 -3.668 -2.023 1.00 0.00 H new ATOM 483 N ALA A 51 -1.085 -2.118 -6.720 1.00 0.00 N ATOM 484 CA ALA A 51 -1.834 -0.969 -7.259 1.00 0.00 C ATOM 485 C ALA A 51 -3.092 -1.399 -8.037 1.00 0.00 C ATOM 486 O ALA A 51 -4.194 -0.998 -7.662 1.00 0.00 O ATOM 487 CB ALA A 51 -0.928 -0.127 -8.152 1.00 0.00 C ATOM 0 H ALA A 51 -0.110 -2.154 -7.016 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.169 -0.374 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.490 0.720 -8.546 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.082 0.238 -7.570 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.564 -0.737 -8.979 1.00 0.00 H new ATOM 489 N MET A 52 -2.943 -2.383 -8.916 1.00 0.00 N ATOM 490 CA MET A 52 -4.066 -3.008 -9.635 1.00 0.00 C ATOM 491 C MET A 52 -5.111 -3.646 -8.700 1.00 0.00 C ATOM 492 O MET A 52 -6.282 -3.288 -8.748 1.00 0.00 O ATOM 493 CB MET A 52 -3.518 -4.053 -10.589 1.00 0.00 C ATOM 494 CG MET A 52 -3.010 -3.379 -11.863 1.00 0.00 C ATOM 495 SD MET A 52 -2.320 -4.596 -13.033 1.00 0.00 S ATOM 496 CE MET A 52 -2.943 -3.878 -14.537 1.00 0.00 C ATOM 0 H MET A 52 -2.034 -2.779 -9.158 1.00 0.00 H new ATOM 0 HA MET A 52 -4.585 -2.218 -10.178 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.708 -4.605 -10.112 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.295 -4.777 -10.835 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.827 -2.837 -12.340 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.246 -2.645 -11.608 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.627 -4.483 -15.387 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.032 -3.845 -14.501 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.553 -2.866 -14.646 1.00 0.00 H new ATOM 498 N ALA A 53 -4.627 -4.470 -7.781 1.00 0.00 N ATOM 499 CA ALA A 53 -5.458 -5.118 -6.740 1.00 0.00 C ATOM 500 C ALA A 53 -6.224 -4.100 -5.866 1.00 0.00 C ATOM 501 O ALA A 53 -7.393 -4.305 -5.544 1.00 0.00 O ATOM 502 CB ALA A 53 -4.548 -6.012 -5.906 1.00 0.00 C ATOM 0 H ALA A 53 -3.639 -4.719 -7.725 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.233 -5.715 -7.220 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.134 -6.504 -5.129 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.091 -6.765 -6.547 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.768 -5.407 -5.444 1.00 0.00 H new ATOM 504 N LEU A 54 -5.586 -2.958 -5.604 1.00 0.00 N ATOM 505 CA LEU A 54 -6.109 -1.819 -4.821 1.00 0.00 C ATOM 506 C LEU A 54 -6.766 -0.718 -5.704 1.00 0.00 C ATOM 507 O LEU A 54 -7.009 0.393 -5.257 1.00 0.00 O ATOM 508 CB LEU A 54 -4.885 -1.273 -4.060 1.00 0.00 C ATOM 509 CG LEU A 54 -5.203 -0.374 -2.862 1.00 0.00 C ATOM 510 CD1 LEU A 54 -5.806 -1.173 -1.702 1.00 0.00 C ATOM 511 CD2 LEU A 54 -3.938 0.330 -2.378 1.00 0.00 C ATOM 0 H LEU A 54 -4.641 -2.786 -5.947 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.910 -2.140 -4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.289 -2.117 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.265 -0.712 -4.759 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.935 0.363 -3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.019 -0.502 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.730 -1.649 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.099 -1.937 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.179 0.966 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.200 -0.414 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.531 0.941 -3.183 1.00 0.00 H new ATOM 513 N ASN A 55 -7.042 -1.056 -6.967 1.00 0.00 N ATOM 514 CA ASN A 55 -7.685 -0.170 -7.978 1.00 0.00 C ATOM 515 C ASN A 55 -7.043 1.234 -8.100 1.00 0.00 C ATOM 516 O ASN A 55 -7.720 2.261 -8.238 1.00 0.00 O ATOM 517 CB ASN A 55 -9.198 -0.079 -7.738 1.00 0.00 C ATOM 518 CG ASN A 55 -9.910 -1.408 -8.000 1.00 0.00 C ATOM 519 OD1 ASN A 55 -10.353 -1.720 -9.101 1.00 0.00 O ATOM 520 ND2 ASN A 55 -10.136 -2.179 -6.963 1.00 0.00 N ATOM 0 H ASN A 55 -6.822 -1.980 -7.339 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.506 -0.644 -8.943 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.382 0.232 -6.710 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.620 0.690 -8.385 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.679 -3.036 -7.073 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.769 -1.922 -6.047 1.00 0.00 H new ATOM 522 N CYS A 56 -5.715 1.250 -8.148 1.00 0.00 N ATOM 523 CA CYS A 56 -4.927 2.497 -8.153 1.00 0.00 C ATOM 524 C CYS A 56 -3.664 2.387 -9.025 1.00 0.00 C ATOM 525 O CYS A 56 -3.387 1.367 -9.647 1.00 0.00 O ATOM 526 CB CYS A 56 -4.596 2.893 -6.706 1.00 0.00 C ATOM 527 SG CYS A 56 -4.160 4.675 -6.578 1.00 0.00 S ATOM 0 H CYS A 56 -5.146 0.404 -8.185 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.528 3.286 -8.606 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.451 2.680 -6.065 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -3.766 2.287 -6.343 1.00 0.00 H new ATOM 0 HG CYS A 56 -3.890 4.968 -5.341 1.00 0.00 H new ATOM 529 N ASP A 57 -2.845 3.427 -8.939 1.00 0.00 N ATOM 530 CA ASP A 57 -1.686 3.698 -9.804 1.00 0.00 C ATOM 531 C ASP A 57 -0.355 3.169 -9.195 1.00 0.00 C ATOM 532 O ASP A 57 -0.075 3.456 -8.026 1.00 0.00 O ATOM 533 CB ASP A 57 -1.715 5.217 -10.001 1.00 0.00 C ATOM 534 CG ASP A 57 -0.568 5.779 -10.833 1.00 0.00 C ATOM 535 OD1 ASP A 57 -0.626 5.664 -12.071 1.00 0.00 O ATOM 536 OD2 ASP A 57 0.403 6.216 -10.175 1.00 0.00 O ATOM 0 H ASP A 57 -2.971 4.148 -8.228 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.740 3.174 -10.758 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.657 5.489 -10.477 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.703 5.696 -9.022 1.00 0.00 H new